Program PWSCF v.5.1.1 starts on 21Jul2015 at 5: 4:41 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 17 5 1782 463 77 Max 43 18 7 1789 486 80 Sum 2055 859 249 85753 22779 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.8974 a.u. unit-cell volume = 598.4058 (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)= 7.897392 celldm(2)= 1.000000 celldm(3)= 1.220831 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.098355 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.098355 0.995151 0.000000 ) a(3) = ( 0.000000 0.000000 1.220831 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.098834 -0.000000 ) b(2) = ( 0.000000 1.004872 -0.000000 ) b(3) = ( 0.000000 0.000000 0.819114 ) PseudoPot. # 1 for Hg read from file: /home/autes/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: /home/autes/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 ) ( 0.6104156 ) 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 ) ( 0.6104156 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0089260 0.0098517 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0178520 0.0197034 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0267780 0.0295551 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0357040 0.0394068 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0446300 0.0492584 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0535560 0.0591101 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0624820 0.0689618 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0714080 0.0788135 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0803341 0.0886652 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0892600 0.0985169 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0981861 0.1083686 -0.0000000), wk = 0.0023697 k( 13) = ( 0.1071121 0.1182203 -0.0000000), wk = 0.0023697 k( 14) = ( 0.1160381 0.1280720 -0.0000000), wk = 0.0023697 k( 15) = ( 0.1249641 0.1379236 -0.0000000), wk = 0.0023697 k( 16) = ( 0.1338901 0.1477753 -0.0000000), wk = 0.0023697 k( 17) = ( 0.1428161 0.1576270 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1517421 0.1674787 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1606681 0.1773304 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1695941 0.1871821 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1785201 0.1970338 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1874461 0.2068855 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1963721 0.2167371 -0.0000000), wk = 0.0023697 k( 24) = ( 0.2052981 0.2265888 -0.0000000), wk = 0.0023697 k( 25) = ( 0.2142241 0.2364405 -0.0000000), wk = 0.0023697 k( 26) = ( 0.2231501 0.2462922 -0.0000000), wk = 0.0023697 k( 27) = ( 0.2320761 0.2561439 -0.0000000), wk = 0.0023697 k( 28) = ( 0.2410021 0.2659956 -0.0000000), wk = 0.0023697 k( 29) = ( 0.2499281 0.2758473 -0.0000000), wk = 0.0023697 k( 30) = ( 0.2588542 0.2856990 -0.0000000), wk = 0.0023697 k( 31) = ( 0.2677801 0.2955507 -0.0000000), wk = 0.0023697 k( 32) = ( 0.2767062 0.3054023 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2856322 0.3152540 -0.0000000), wk = 0.0023697 k( 34) = ( 0.2945582 0.3251057 -0.0000000), wk = 0.0023697 k( 35) = ( 0.3034842 0.3349574 -0.0000000), wk = 0.0023697 k( 36) = ( 0.3124102 0.3448091 -0.0000000), wk = 0.0023697 k( 37) = ( 0.3213362 0.3546608 -0.0000000), wk = 0.0023697 k( 38) = ( 0.3302622 0.3645125 -0.0000000), wk = 0.0023697 k( 39) = ( 0.3391882 0.3743642 -0.0000000), wk = 0.0023697 k( 40) = ( 0.3481142 0.3842159 -0.0000000), wk = 0.0023697 k( 41) = ( 0.3570402 0.3940675 -0.0000000), wk = 0.0023697 k( 42) = ( 0.3659662 0.4039192 -0.0000000), wk = 0.0023697 k( 43) = ( 0.3748922 0.4137709 -0.0000000), wk = 0.0023697 k( 44) = ( 0.3838182 0.4236226 -0.0000000), wk = 0.0023697 k( 45) = ( 0.3927442 0.4334743 -0.0000000), wk = 0.0023697 k( 46) = ( 0.4016702 0.4433260 -0.0000000), wk = 0.0023697 k( 47) = ( 0.4105962 0.4531777 -0.0000000), wk = 0.0023697 k( 48) = ( 0.4195222 0.4630294 -0.0000000), wk = 0.0023697 k( 49) = ( 0.4284482 0.4728810 -0.0000000), wk = 0.0023697 k( 50) = ( 0.4373743 0.4827327 -0.0000000), wk = 0.0023697 k( 51) = ( 0.4463003 0.4925844 -0.0000000), wk = 0.0023697 k( 52) = ( 0.4552263 0.5024361 -0.0000000), wk = 0.0023697 k( 53) = ( 0.4552263 0.5024361 -0.0000000), wk = 0.0023697 k( 54) = ( 0.4422198 0.5024361 -0.0000000), wk = 0.0023697 k( 55) = ( 0.4292133 0.5024361 -0.0000000), wk = 0.0023697 k( 56) = ( 0.4162069 0.5024361 -0.0000000), wk = 0.0023697 k( 57) = ( 0.4032004 0.5024361 -0.0000000), wk = 0.0023697 k( 58) = ( 0.3901939 0.5024361 -0.0000000), wk = 0.0023697 k( 59) = ( 0.3771875 0.5024361 -0.0000000), wk = 0.0023697 k( 60) = ( 0.3641810 0.5024361 -0.0000000), wk = 0.0023697 k( 61) = ( 0.3511745 0.5024361 -0.0000000), wk = 0.0023697 k( 62) = ( 0.3381681 0.5024361 -0.0000000), wk = 0.0023697 k( 63) = ( 0.3251616 0.5024361 -0.0000000), wk = 0.0023697 k( 64) = ( 0.3121551 0.5024361 -0.0000000), wk = 0.0023697 k( 65) = ( 0.2991487 0.5024361 -0.0000000), wk = 0.0023697 k( 66) = ( 0.2861422 0.5024361 -0.0000000), wk = 0.0023697 k( 67) = ( 0.2731358 0.5024361 -0.0000000), wk = 0.0023697 k( 68) = ( 0.2601293 0.5024361 -0.0000000), wk = 0.0023697 k( 69) = ( 0.2471228 0.5024361 -0.0000000), wk = 0.0023697 k( 70) = ( 0.2341164 0.5024361 -0.0000000), wk = 0.0023697 k( 71) = ( 0.2211099 0.5024361 -0.0000000), wk = 0.0023697 k( 72) = ( 0.2081034 0.5024361 -0.0000000), wk = 0.0023697 k( 73) = ( 0.1950970 0.5024361 -0.0000000), wk = 0.0023697 k( 74) = ( 0.1820905 0.5024361 -0.0000000), wk = 0.0023697 k( 75) = ( 0.1690840 0.5024361 -0.0000000), wk = 0.0023697 k( 76) = ( 0.1560776 0.5024361 -0.0000000), wk = 0.0023697 k( 77) = ( 0.1430711 0.5024361 -0.0000000), wk = 0.0023697 k( 78) = ( 0.1300647 0.5024361 -0.0000000), wk = 0.0023697 k( 79) = ( 0.1170582 0.5024361 -0.0000000), wk = 0.0023697 k( 80) = ( 0.1040517 0.5024361 -0.0000000), wk = 0.0023697 k( 81) = ( 0.0910452 0.5024361 -0.0000000), wk = 0.0023697 k( 82) = ( 0.0780388 0.5024361 -0.0000000), wk = 0.0023697 k( 83) = ( 0.0650323 0.5024361 -0.0000000), wk = 0.0023697 k( 84) = ( 0.0520259 0.5024361 -0.0000000), wk = 0.0023697 k( 85) = ( 0.0390194 0.5024361 -0.0000000), wk = 0.0023697 k( 86) = ( 0.0260129 0.5024361 -0.0000000), wk = 0.0023697 k( 87) = ( 0.0130065 0.5024361 -0.0000000), wk = 0.0023697 k( 88) = ( 0.0000000 0.5024361 -0.0000000), wk = 0.0023697 k( 89) = ( 0.0000000 0.5024361 -0.0000000), wk = 0.0023697 k( 90) = ( 0.0000000 0.5024361 0.0132115), wk = 0.0023697 k( 91) = ( 0.0000000 0.5024361 0.0264230), wk = 0.0023697 k( 92) = ( 0.0000000 0.5024361 0.0396346), wk = 0.0023697 k( 93) = ( 0.0000000 0.5024361 0.0528461), wk = 0.0023697 k( 94) = ( 0.0000000 0.5024361 0.0660576), wk = 0.0023697 k( 95) = ( 0.0000000 0.5024361 0.0792691), wk = 0.0023697 k( 96) = ( 0.0000000 0.5024361 0.0924806), wk = 0.0023697 k( 97) = ( 0.0000000 0.5024361 0.1056921), wk = 0.0023697 k( 98) = ( 0.0000000 0.5024361 0.1189037), wk = 0.0023697 k( 99) = ( 0.0000000 0.5024361 0.1321152), wk = 0.0023697 k( 100) = ( 0.0000000 0.5024361 0.1453267), wk = 0.0023697 k( 101) = ( 0.0000000 0.5024361 0.1585382), wk = 0.0023697 k( 102) = ( 0.0000000 0.5024361 0.1717497), wk = 0.0023697 k( 103) = ( 0.0000000 0.5024361 0.1849612), wk = 0.0023697 k( 104) = ( 0.0000000 0.5024361 0.1981728), wk = 0.0023697 k( 105) = ( 0.0000000 0.5024361 0.2113843), wk = 0.0023697 k( 106) = ( 0.0000000 0.5024361 0.2245958), wk = 0.0023697 k( 107) = ( 0.0000000 0.5024361 0.2378073), wk = 0.0023697 k( 108) = ( 0.0000000 0.5024361 0.2510188), wk = 0.0023697 k( 109) = ( 0.0000000 0.5024361 0.2642304), wk = 0.0023697 k( 110) = ( 0.0000000 0.5024361 0.2774419), wk = 0.0023697 k( 111) = ( 0.0000000 0.5024361 0.2906534), wk = 0.0023697 k( 112) = ( 0.0000000 0.5024361 0.3038649), wk = 0.0023697 k( 113) = ( 0.0000000 0.5024361 0.3170764), wk = 0.0023697 k( 114) = ( 0.0000000 0.5024361 0.3302879), wk = 0.0023697 k( 115) = ( 0.0000000 0.5024361 0.3434995), wk = 0.0023697 k( 116) = ( 0.0000000 0.5024361 0.3567110), wk = 0.0023697 k( 117) = ( 0.0000000 0.5024361 0.3699225), wk = 0.0023697 k( 118) = ( 0.0000000 0.5024361 0.3831340), wk = 0.0023697 k( 119) = ( 0.0000000 0.5024361 0.3963455), wk = 0.0023697 k( 120) = ( 0.0000000 0.5024361 0.4095570), wk = 0.0023697 k( 121) = ( 0.0000000 0.5024361 0.4095570), wk = 0.0023697 k( 122) = ( 0.0130065 0.5024361 0.4095570), wk = 0.0023697 k( 123) = ( 0.0260129 0.5024361 0.4095570), wk = 0.0023697 k( 124) = ( 0.0390194 0.5024361 0.4095570), wk = 0.0023697 k( 125) = ( 0.0520259 0.5024361 0.4095570), wk = 0.0023697 k( 126) = ( 0.0650323 0.5024361 0.4095570), wk = 0.0023697 k( 127) = ( 0.0780388 0.5024361 0.4095570), wk = 0.0023697 k( 128) = ( 0.0910452 0.5024361 0.4095570), wk = 0.0023697 k( 129) = ( 0.1040517 0.5024361 0.4095570), wk = 0.0023697 k( 130) = ( 0.1170582 0.5024361 0.4095570), wk = 0.0023697 k( 131) = ( 0.1300647 0.5024361 0.4095570), wk = 0.0023697 k( 132) = ( 0.1430711 0.5024361 0.4095570), wk = 0.0023697 k( 133) = ( 0.1560776 0.5024361 0.4095570), wk = 0.0023697 k( 134) = ( 0.1690840 0.5024361 0.4095570), wk = 0.0023697 k( 135) = ( 0.1820905 0.5024361 0.4095570), wk = 0.0023697 k( 136) = ( 0.1950970 0.5024361 0.4095570), wk = 0.0023697 k( 137) = ( 0.2081034 0.5024361 0.4095570), wk = 0.0023697 k( 138) = ( 0.2211099 0.5024361 0.4095570), wk = 0.0023697 k( 139) = ( 0.2341164 0.5024361 0.4095570), wk = 0.0023697 k( 140) = ( 0.2471228 0.5024361 0.4095570), wk = 0.0023697 k( 141) = ( 0.2601293 0.5024361 0.4095570), wk = 0.0023697 k( 142) = ( 0.2731358 0.5024361 0.4095570), wk = 0.0023697 k( 143) = ( 0.2861422 0.5024361 0.4095570), wk = 0.0023697 k( 144) = ( 0.2991487 0.5024361 0.4095570), wk = 0.0023697 k( 145) = ( 0.3121551 0.5024361 0.4095570), wk = 0.0023697 k( 146) = ( 0.3251616 0.5024361 0.4095570), wk = 0.0023697 k( 147) = ( 0.3381681 0.5024361 0.4095570), wk = 0.0023697 k( 148) = ( 0.3511745 0.5024361 0.4095570), wk = 0.0023697 k( 149) = ( 0.3641810 0.5024361 0.4095570), wk = 0.0023697 k( 150) = ( 0.3771875 0.5024361 0.4095570), wk = 0.0023697 k( 151) = ( 0.3901939 0.5024361 0.4095570), wk = 0.0023697 k( 152) = ( 0.4032004 0.5024361 0.4095570), wk = 0.0023697 k( 153) = ( 0.4162069 0.5024361 0.4095570), wk = 0.0023697 k( 154) = ( 0.4292133 0.5024361 0.4095570), wk = 0.0023697 k( 155) = ( 0.4422198 0.5024361 0.4095570), wk = 0.0023697 k( 156) = ( 0.4552263 0.5024361 0.4095570), wk = 0.0023697 k( 157) = ( 0.4552263 0.5024361 0.4095570), wk = 0.0023697 k( 158) = ( 0.4463003 0.4925844 0.4095570), wk = 0.0023697 k( 159) = ( 0.4373743 0.4827327 0.4095570), wk = 0.0023697 k( 160) = ( 0.4284482 0.4728810 0.4095570), wk = 0.0023697 k( 161) = ( 0.4195222 0.4630294 0.4095570), wk = 0.0023697 k( 162) = ( 0.4105962 0.4531777 0.4095570), wk = 0.0023697 k( 163) = ( 0.4016702 0.4433260 0.4095570), wk = 0.0023697 k( 164) = ( 0.3927442 0.4334743 0.4095570), wk = 0.0023697 k( 165) = ( 0.3838182 0.4236226 0.4095570), wk = 0.0023697 k( 166) = ( 0.3748922 0.4137709 0.4095570), wk = 0.0023697 k( 167) = ( 0.3659662 0.4039192 0.4095570), wk = 0.0023697 k( 168) = ( 0.3570402 0.3940675 0.4095570), wk = 0.0023697 k( 169) = ( 0.3481142 0.3842159 0.4095570), wk = 0.0023697 k( 170) = ( 0.3391882 0.3743642 0.4095570), wk = 0.0023697 k( 171) = ( 0.3302622 0.3645125 0.4095570), wk = 0.0023697 k( 172) = ( 0.3213362 0.3546608 0.4095570), wk = 0.0023697 k( 173) = ( 0.3124102 0.3448091 0.4095570), wk = 0.0023697 k( 174) = ( 0.3034842 0.3349574 0.4095570), wk = 0.0023697 k( 175) = ( 0.2945582 0.3251057 0.4095570), wk = 0.0023697 k( 176) = ( 0.2856322 0.3152540 0.4095570), wk = 0.0023697 k( 177) = ( 0.2767062 0.3054023 0.4095570), wk = 0.0023697 k( 178) = ( 0.2677801 0.2955507 0.4095570), wk = 0.0023697 k( 179) = ( 0.2588542 0.2856990 0.4095570), wk = 0.0023697 k( 180) = ( 0.2499281 0.2758473 0.4095570), wk = 0.0023697 k( 181) = ( 0.2410021 0.2659956 0.4095570), wk = 0.0023697 k( 182) = ( 0.2320761 0.2561439 0.4095570), wk = 0.0023697 k( 183) = ( 0.2231501 0.2462922 0.4095570), wk = 0.0023697 k( 184) = ( 0.2142241 0.2364405 0.4095570), wk = 0.0023697 k( 185) = ( 0.2052981 0.2265888 0.4095570), wk = 0.0023697 k( 186) = ( 0.1963721 0.2167371 0.4095570), wk = 0.0023697 k( 187) = ( 0.1874461 0.2068855 0.4095570), wk = 0.0023697 k( 188) = ( 0.1785201 0.1970338 0.4095570), wk = 0.0023697 k( 189) = ( 0.1695941 0.1871821 0.4095570), wk = 0.0023697 k( 190) = ( 0.1606681 0.1773304 0.4095570), wk = 0.0023697 k( 191) = ( 0.1517421 0.1674787 0.4095570), wk = 0.0023697 k( 192) = ( 0.1428161 0.1576270 0.4095570), wk = 0.0023697 k( 193) = ( 0.1338901 0.1477753 0.4095570), wk = 0.0023697 k( 194) = ( 0.1249641 0.1379236 0.4095570), wk = 0.0023697 k( 195) = ( 0.1160381 0.1280720 0.4095570), wk = 0.0023697 k( 196) = ( 0.1071121 0.1182203 0.4095570), wk = 0.0023697 k( 197) = ( 0.0981861 0.1083686 0.4095570), wk = 0.0023697 k( 198) = ( 0.0892600 0.0985169 0.4095570), wk = 0.0023697 k( 199) = ( 0.0803341 0.0886652 0.4095570), wk = 0.0023697 k( 200) = ( 0.0714080 0.0788135 0.4095570), wk = 0.0023697 k( 201) = ( 0.0624820 0.0689618 0.4095570), wk = 0.0023697 k( 202) = ( 0.0535560 0.0591101 0.4095570), wk = 0.0023697 k( 203) = ( 0.0446300 0.0492584 0.4095570), wk = 0.0023697 k( 204) = ( 0.0357040 0.0394068 0.4095570), wk = 0.0023697 k( 205) = ( 0.0267780 0.0295551 0.4095570), wk = 0.0023697 k( 206) = ( 0.0178520 0.0197034 0.4095570), wk = 0.0023697 k( 207) = ( 0.0089260 0.0098517 0.4095570), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.4095570), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.4095570), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.3963455), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.3831340), wk = 0.0023697 k( 212) = ( 0.0000000 0.0000000 0.3699225), wk = 0.0023697 k( 213) = ( 0.0000000 0.0000000 0.3567110), wk = 0.0023697 k( 214) = ( 0.0000000 0.0000000 0.3434995), wk = 0.0023697 k( 215) = ( 0.0000000 0.0000000 0.3302879), wk = 0.0023697 k( 216) = ( 0.0000000 0.0000000 0.3170764), wk = 0.0023697 k( 217) = ( 0.0000000 0.0000000 0.3038649), wk = 0.0023697 k( 218) = ( 0.0000000 0.0000000 0.2906534), wk = 0.0023697 k( 219) = ( 0.0000000 0.0000000 0.2774419), wk = 0.0023697 k( 220) = ( 0.0000000 0.0000000 0.2642304), wk = 0.0023697 k( 221) = ( 0.0000000 0.0000000 0.2510188), wk = 0.0023697 k( 222) = ( 0.0000000 0.0000000 0.2378073), wk = 0.0023697 k( 223) = ( 0.0000000 0.0000000 0.2245958), wk = 0.0023697 k( 224) = ( 0.0000000 0.0000000 0.2113843), wk = 0.0023697 k( 225) = ( 0.0000000 0.0000000 0.1981728), wk = 0.0023697 k( 226) = ( 0.0000000 0.0000000 0.1849612), wk = 0.0023697 k( 227) = ( 0.0000000 0.0000000 0.1717497), wk = 0.0023697 k( 228) = ( 0.0000000 0.0000000 0.1585382), wk = 0.0023697 k( 229) = ( 0.0000000 0.0000000 0.1453267), wk = 0.0023697 k( 230) = ( 0.0000000 0.0000000 0.1321152), wk = 0.0023697 k( 231) = ( 0.0000000 0.0000000 0.1189037), wk = 0.0023697 k( 232) = ( 0.0000000 0.0000000 0.1056921), wk = 0.0023697 k( 233) = ( 0.0000000 0.0000000 0.0924806), wk = 0.0023697 k( 234) = ( 0.0000000 0.0000000 0.0792691), wk = 0.0023697 k( 235) = ( 0.0000000 0.0000000 0.0660576), wk = 0.0023697 k( 236) = ( 0.0000000 0.0000000 0.0528461), wk = 0.0023697 k( 237) = ( 0.0000000 0.0000000 0.0396346), wk = 0.0023697 k( 238) = ( 0.0000000 0.0000000 0.0264230), wk = 0.0023697 k( 239) = ( 0.0000000 0.0000000 0.0132115), wk = 0.0023697 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 242) = ( -0.0098039 0.0088827 0.0000000), wk = 0.0023697 k( 243) = ( -0.0196078 0.0177655 0.0000000), wk = 0.0023697 k( 244) = ( -0.0294118 0.0266482 0.0000000), wk = 0.0023697 k( 245) = ( -0.0392157 0.0355309 0.0000000), wk = 0.0023697 k( 246) = ( -0.0490196 0.0444136 0.0000000), wk = 0.0023697 k( 247) = ( -0.0588235 0.0532964 0.0000000), wk = 0.0023697 k( 248) = ( -0.0686275 0.0621791 0.0000000), wk = 0.0023697 k( 249) = ( -0.0784314 0.0710618 0.0000000), wk = 0.0023697 k( 250) = ( -0.0882353 0.0799445 0.0000000), wk = 0.0023697 k( 251) = ( -0.0980392 0.0888273 0.0000000), wk = 0.0023697 k( 252) = ( -0.1078431 0.0977100 0.0000000), wk = 0.0023697 k( 253) = ( -0.1176471 0.1065927 0.0000000), wk = 0.0023697 k( 254) = ( -0.1274510 0.1154754 0.0000000), wk = 0.0023697 k( 255) = ( -0.1372549 0.1243582 0.0000000), wk = 0.0023697 k( 256) = ( -0.1470588 0.1332409 0.0000000), wk = 0.0023697 k( 257) = ( -0.1568627 0.1421236 0.0000000), wk = 0.0023697 k( 258) = ( -0.1666667 0.1510064 0.0000000), wk = 0.0023697 k( 259) = ( -0.1764706 0.1598891 0.0000000), wk = 0.0023697 k( 260) = ( -0.1862745 0.1687718 0.0000000), wk = 0.0023697 k( 261) = ( -0.1960784 0.1776545 0.0000000), wk = 0.0023697 k( 262) = ( -0.2058823 0.1865373 0.0000000), wk = 0.0023697 k( 263) = ( -0.2156863 0.1954200 0.0000000), wk = 0.0023697 k( 264) = ( -0.2254902 0.2043027 0.0000000), wk = 0.0023697 k( 265) = ( -0.2352941 0.2131854 0.0000000), wk = 0.0023697 k( 266) = ( -0.2450980 0.2220682 0.0000000), wk = 0.0023697 k( 267) = ( -0.2549020 0.2309509 0.0000000), wk = 0.0023697 k( 268) = ( -0.2647059 0.2398336 0.0000000), wk = 0.0023697 k( 269) = ( -0.2745098 0.2487163 0.0000000), wk = 0.0023697 k( 270) = ( -0.2843137 0.2575991 0.0000000), wk = 0.0023697 k( 271) = ( -0.2941177 0.2664818 0.0000000), wk = 0.0023697 k( 272) = ( -0.3039216 0.2753645 0.0000000), wk = 0.0023697 k( 273) = ( -0.3137255 0.2842472 0.0000000), wk = 0.0023697 k( 274) = ( -0.3235294 0.2931300 0.0000000), wk = 0.0023697 k( 275) = ( -0.3333333 0.3020127 0.0000000), wk = 0.0023697 k( 276) = ( -0.3431373 0.3108954 0.0000000), wk = 0.0023697 k( 277) = ( -0.3529412 0.3197782 0.0000000), wk = 0.0023697 k( 278) = ( -0.3627451 0.3286609 0.0000000), wk = 0.0023697 k( 279) = ( -0.3725490 0.3375436 0.0000000), wk = 0.0023697 k( 280) = ( -0.3823529 0.3464263 0.0000000), wk = 0.0023697 k( 281) = ( -0.3921569 0.3553091 0.0000000), wk = 0.0023697 k( 282) = ( -0.4019608 0.3641918 0.0000000), wk = 0.0023697 k( 283) = ( -0.4117647 0.3730745 0.0000000), wk = 0.0023697 k( 284) = ( -0.4215686 0.3819572 0.0000000), wk = 0.0023697 k( 285) = ( -0.4313726 0.3908400 0.0000000), wk = 0.0023697 k( 286) = ( -0.4411765 0.3997227 0.0000000), wk = 0.0023697 k( 287) = ( -0.4509804 0.4086054 0.0000000), wk = 0.0023697 k( 288) = ( -0.4607843 0.4174881 0.0000000), wk = 0.0023697 k( 289) = ( -0.4705882 0.4263709 0.0000000), wk = 0.0023697 k( 290) = ( -0.4803922 0.4352536 0.0000000), wk = 0.0023697 k( 291) = ( -0.4901961 0.4441363 0.0000000), wk = 0.0023697 k( 292) = ( -0.5000000 0.4530191 0.0000000), wk = 0.0023697 k( 293) = ( -0.5000000 0.4530191 0.0000000), wk = 0.0023697 k( 294) = ( -0.4925377 0.4612552 -0.0000000), wk = 0.0023697 k( 295) = ( -0.4850754 0.4694914 -0.0000000), wk = 0.0023697 k( 296) = ( -0.4776131 0.4777276 -0.0000000), wk = 0.0023697 k( 297) = ( -0.4701508 0.4859638 -0.0000000), wk = 0.0023697 k( 298) = ( -0.4626885 0.4941999 -0.0000000), wk = 0.0023697 k( 299) = ( -0.4552263 0.5024361 -0.0000000), wk = 0.0023697 k( 300) = ( -0.4552263 0.5024361 -0.0000000), wk = 0.0023697 k( 301) = ( -0.4552263 0.5024361 0.0132115), wk = 0.0023697 k( 302) = ( -0.4552263 0.5024361 0.0264230), wk = 0.0023697 k( 303) = ( -0.4552263 0.5024361 0.0396346), wk = 0.0023697 k( 304) = ( -0.4552263 0.5024361 0.0528461), wk = 0.0023697 k( 305) = ( -0.4552263 0.5024361 0.0660576), wk = 0.0023697 k( 306) = ( -0.4552263 0.5024361 0.0792691), wk = 0.0023697 k( 307) = ( -0.4552263 0.5024361 0.0924806), wk = 0.0023697 k( 308) = ( -0.4552263 0.5024361 0.1056921), wk = 0.0023697 k( 309) = ( -0.4552263 0.5024361 0.1189037), wk = 0.0023697 k( 310) = ( -0.4552263 0.5024361 0.1321152), wk = 0.0023697 k( 311) = ( -0.4552263 0.5024361 0.1453267), wk = 0.0023697 k( 312) = ( -0.4552263 0.5024361 0.1585382), wk = 0.0023697 k( 313) = ( -0.4552263 0.5024361 0.1717497), wk = 0.0023697 k( 314) = ( -0.4552263 0.5024361 0.1849612), wk = 0.0023697 k( 315) = ( -0.4552263 0.5024361 0.1981728), wk = 0.0023697 k( 316) = ( -0.4552263 0.5024361 0.2113843), wk = 0.0023697 k( 317) = ( -0.4552263 0.5024361 0.2245958), wk = 0.0023697 k( 318) = ( -0.4552263 0.5024361 0.2378073), wk = 0.0023697 k( 319) = ( -0.4552263 0.5024361 0.2510188), wk = 0.0023697 k( 320) = ( -0.4552263 0.5024361 0.2642304), wk = 0.0023697 k( 321) = ( -0.4552263 0.5024361 0.2774419), wk = 0.0023697 k( 322) = ( -0.4552263 0.5024361 0.2906534), wk = 0.0023697 k( 323) = ( -0.4552263 0.5024361 0.3038649), wk = 0.0023697 k( 324) = ( -0.4552263 0.5024361 0.3170764), wk = 0.0023697 k( 325) = ( -0.4552263 0.5024361 0.3302879), wk = 0.0023697 k( 326) = ( -0.4552263 0.5024361 0.3434995), wk = 0.0023697 k( 327) = ( -0.4552263 0.5024361 0.3567110), wk = 0.0023697 k( 328) = ( -0.4552263 0.5024361 0.3699225), wk = 0.0023697 k( 329) = ( -0.4552263 0.5024361 0.3831340), wk = 0.0023697 k( 330) = ( -0.4552263 0.5024361 0.3963455), wk = 0.0023697 k( 331) = ( -0.4552263 0.5024361 0.4095570), wk = 0.0023697 k( 332) = ( -0.4552263 0.5024361 0.4095570), wk = 0.0023697 k( 333) = ( -0.4626885 0.4941999 0.4095570), wk = 0.0023697 k( 334) = ( -0.4701508 0.4859638 0.4095570), wk = 0.0023697 k( 335) = ( -0.4776131 0.4777276 0.4095570), wk = 0.0023697 k( 336) = ( -0.4850754 0.4694914 0.4095570), wk = 0.0023697 k( 337) = ( -0.4925377 0.4612552 0.4095570), wk = 0.0023697 k( 338) = ( -0.5000000 0.4530191 0.4095570), wk = 0.0023697 k( 339) = ( -0.5000000 0.4530191 0.4095570), wk = 0.0023697 k( 340) = ( -0.5000000 0.4530191 0.3963455), wk = 0.0023697 k( 341) = ( -0.5000000 0.4530191 0.3831340), wk = 0.0023697 k( 342) = ( -0.5000000 0.4530191 0.3699225), wk = 0.0023697 k( 343) = ( -0.5000000 0.4530191 0.3567110), wk = 0.0023697 k( 344) = ( -0.5000000 0.4530191 0.3434995), wk = 0.0023697 k( 345) = ( -0.5000000 0.4530191 0.3302879), wk = 0.0023697 k( 346) = ( -0.5000000 0.4530191 0.3170764), wk = 0.0023697 k( 347) = ( -0.5000000 0.4530191 0.3038649), wk = 0.0023697 k( 348) = ( -0.5000000 0.4530191 0.2906534), wk = 0.0023697 k( 349) = ( -0.5000000 0.4530191 0.2774419), wk = 0.0023697 k( 350) = ( -0.5000000 0.4530191 0.2642304), wk = 0.0023697 k( 351) = ( -0.5000000 0.4530191 0.2510188), wk = 0.0023697 k( 352) = ( -0.5000000 0.4530191 0.2378073), wk = 0.0023697 k( 353) = ( -0.5000000 0.4530191 0.2245958), wk = 0.0023697 k( 354) = ( -0.5000000 0.4530191 0.2113843), wk = 0.0023697 k( 355) = ( -0.5000000 0.4530191 0.1981728), wk = 0.0023697 k( 356) = ( -0.5000000 0.4530191 0.1849612), wk = 0.0023697 k( 357) = ( -0.5000000 0.4530191 0.1717497), wk = 0.0023697 k( 358) = ( -0.5000000 0.4530191 0.1585382), wk = 0.0023697 k( 359) = ( -0.5000000 0.4530191 0.1453267), wk = 0.0023697 k( 360) = ( -0.5000000 0.4530191 0.1321152), wk = 0.0023697 k( 361) = ( -0.5000000 0.4530191 0.1189037), wk = 0.0023697 k( 362) = ( -0.5000000 0.4530191 0.1056921), wk = 0.0023697 k( 363) = ( -0.5000000 0.4530191 0.0924806), wk = 0.0023697 k( 364) = ( -0.5000000 0.4530191 0.0792691), wk = 0.0023697 k( 365) = ( -0.5000000 0.4530191 0.0660576), wk = 0.0023697 k( 366) = ( -0.5000000 0.4530191 0.0528461), wk = 0.0023697 k( 367) = ( -0.5000000 0.4530191 0.0396346), wk = 0.0023697 k( 368) = ( -0.5000000 0.4530191 0.0264230), wk = 0.0023697 k( 369) = ( -0.5000000 0.4530191 0.0132115), wk = 0.0023697 k( 370) = ( -0.5000000 0.4530191 0.0000000), wk = 0.0023697 k( 371) = ( 0.0000000 0.0000000 0.4095570), wk = 0.0023697 k( 372) = ( -0.0098039 0.0088827 0.4095570), wk = 0.0023697 k( 373) = ( -0.0196078 0.0177655 0.4095570), wk = 0.0023697 k( 374) = ( -0.0294118 0.0266482 0.4095570), wk = 0.0023697 k( 375) = ( -0.0392157 0.0355309 0.4095570), wk = 0.0023697 k( 376) = ( -0.0490196 0.0444136 0.4095570), wk = 0.0023697 k( 377) = ( -0.0588235 0.0532964 0.4095570), wk = 0.0023697 k( 378) = ( -0.0686275 0.0621791 0.4095570), wk = 0.0023697 k( 379) = ( -0.0784314 0.0710618 0.4095570), wk = 0.0023697 k( 380) = ( -0.0882353 0.0799445 0.4095570), wk = 0.0023697 k( 381) = ( -0.0980392 0.0888273 0.4095570), wk = 0.0023697 k( 382) = ( -0.1078431 0.0977100 0.4095570), wk = 0.0023697 k( 383) = ( -0.1176471 0.1065927 0.4095570), wk = 0.0023697 k( 384) = ( -0.1274510 0.1154754 0.4095570), wk = 0.0023697 k( 385) = ( -0.1372549 0.1243582 0.4095570), wk = 0.0023697 k( 386) = ( -0.1470588 0.1332409 0.4095570), wk = 0.0023697 k( 387) = ( -0.1568627 0.1421236 0.4095570), wk = 0.0023697 k( 388) = ( -0.1666667 0.1510064 0.4095570), wk = 0.0023697 k( 389) = ( -0.1764706 0.1598891 0.4095570), wk = 0.0023697 k( 390) = ( -0.1862745 0.1687718 0.4095570), wk = 0.0023697 k( 391) = ( -0.1960784 0.1776545 0.4095570), wk = 0.0023697 k( 392) = ( -0.2058823 0.1865373 0.4095570), wk = 0.0023697 k( 393) = ( -0.2156863 0.1954200 0.4095570), wk = 0.0023697 k( 394) = ( -0.2254902 0.2043027 0.4095570), wk = 0.0023697 k( 395) = ( -0.2352941 0.2131854 0.4095570), wk = 0.0023697 k( 396) = ( -0.2450980 0.2220682 0.4095570), wk = 0.0023697 k( 397) = ( -0.2549020 0.2309509 0.4095570), wk = 0.0023697 k( 398) = ( -0.2647059 0.2398336 0.4095570), wk = 0.0023697 k( 399) = ( -0.2745098 0.2487163 0.4095570), wk = 0.0023697 k( 400) = ( -0.2843137 0.2575991 0.4095570), wk = 0.0023697 k( 401) = ( -0.2941177 0.2664818 0.4095570), wk = 0.0023697 k( 402) = ( -0.3039216 0.2753645 0.4095570), wk = 0.0023697 k( 403) = ( -0.3137255 0.2842472 0.4095570), wk = 0.0023697 k( 404) = ( -0.3235294 0.2931300 0.4095570), wk = 0.0023697 k( 405) = ( -0.3333333 0.3020127 0.4095570), wk = 0.0023697 k( 406) = ( -0.3431373 0.3108954 0.4095570), wk = 0.0023697 k( 407) = ( -0.3529412 0.3197782 0.4095570), wk = 0.0023697 k( 408) = ( -0.3627451 0.3286609 0.4095570), wk = 0.0023697 k( 409) = ( -0.3725490 0.3375436 0.4095570), wk = 0.0023697 k( 410) = ( -0.3823529 0.3464263 0.4095570), wk = 0.0023697 k( 411) = ( -0.3921569 0.3553091 0.4095570), wk = 0.0023697 k( 412) = ( -0.4019608 0.3641918 0.4095570), wk = 0.0023697 k( 413) = ( -0.4117647 0.3730745 0.4095570), wk = 0.0023697 k( 414) = ( -0.4215686 0.3819572 0.4095570), wk = 0.0023697 k( 415) = ( -0.4313726 0.3908400 0.4095570), wk = 0.0023697 k( 416) = ( -0.4411765 0.3997227 0.4095570), wk = 0.0023697 k( 417) = ( -0.4509804 0.4086054 0.4095570), wk = 0.0023697 k( 418) = ( -0.4607843 0.4174881 0.4095570), wk = 0.0023697 k( 419) = ( -0.4705882 0.4263709 0.4095570), wk = 0.0023697 k( 420) = ( -0.4803922 0.4352536 0.4095570), wk = 0.0023697 k( 421) = ( -0.4901961 0.4441363 0.4095570), wk = 0.0023697 k( 422) = ( -0.5000000 0.4530191 0.4095570), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0089260 0.0089260 0.0000000), wk = 0.0023697 k( 3) = ( 0.0178520 0.0178520 0.0000000), wk = 0.0023697 k( 4) = ( 0.0267780 0.0267780 0.0000000), wk = 0.0023697 k( 5) = ( 0.0357040 0.0357040 0.0000000), wk = 0.0023697 k( 6) = ( 0.0446300 0.0446300 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0535560 0.0535560 0.0000000), wk = 0.0023697 k( 8) = ( 0.0624820 0.0624820 0.0000000), wk = 0.0023697 k( 9) = ( 0.0714080 0.0714080 0.0000000), wk = 0.0023697 k( 10) = ( 0.0803341 0.0803341 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0892600 0.0892600 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0981861 0.0981861 -0.0000000), wk = 0.0023697 k( 13) = ( 0.1071121 0.1071121 0.0000000), wk = 0.0023697 k( 14) = ( 0.1160381 0.1160381 0.0000000), wk = 0.0023697 k( 15) = ( 0.1249641 0.1249641 0.0000000), wk = 0.0023697 k( 16) = ( 0.1338901 0.1338901 0.0000000), wk = 0.0023697 k( 17) = ( 0.1428161 0.1428161 0.0000000), wk = 0.0023697 k( 18) = ( 0.1517421 0.1517421 0.0000000), wk = 0.0023697 k( 19) = ( 0.1606681 0.1606681 0.0000000), wk = 0.0023697 k( 20) = ( 0.1695941 0.1695941 0.0000000), wk = 0.0023697 k( 21) = ( 0.1785201 0.1785201 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1874461 0.1874461 0.0000000), wk = 0.0023697 k( 23) = ( 0.1963721 0.1963721 -0.0000000), wk = 0.0023697 k( 24) = ( 0.2052981 0.2052981 -0.0000000), wk = 0.0023697 k( 25) = ( 0.2142241 0.2142241 0.0000000), wk = 0.0023697 k( 26) = ( 0.2231501 0.2231501 0.0000000), wk = 0.0023697 k( 27) = ( 0.2320761 0.2320761 0.0000000), wk = 0.0023697 k( 28) = ( 0.2410021 0.2410021 0.0000000), wk = 0.0023697 k( 29) = ( 0.2499281 0.2499281 0.0000000), wk = 0.0023697 k( 30) = ( 0.2588542 0.2588542 0.0000000), wk = 0.0023697 k( 31) = ( 0.2677801 0.2677801 0.0000000), wk = 0.0023697 k( 32) = ( 0.2767062 0.2767062 -0.0000000), wk = 0.0023697 k( 33) = ( 0.2856322 0.2856322 0.0000000), wk = 0.0023697 k( 34) = ( 0.2945582 0.2945582 -0.0000000), wk = 0.0023697 k( 35) = ( 0.3034842 0.3034842 0.0000000), wk = 0.0023697 k( 36) = ( 0.3124102 0.3124102 -0.0000000), wk = 0.0023697 k( 37) = ( 0.3213362 0.3213362 0.0000000), wk = 0.0023697 k( 38) = ( 0.3302622 0.3302622 0.0000000), wk = 0.0023697 k( 39) = ( 0.3391882 0.3391882 0.0000000), wk = 0.0023697 k( 40) = ( 0.3481142 0.3481142 -0.0000000), wk = 0.0023697 k( 41) = ( 0.3570402 0.3570402 -0.0000000), wk = 0.0023697 k( 42) = ( 0.3659662 0.3659662 -0.0000000), wk = 0.0023697 k( 43) = ( 0.3748922 0.3748922 -0.0000000), wk = 0.0023697 k( 44) = ( 0.3838182 0.3838182 -0.0000000), wk = 0.0023697 k( 45) = ( 0.3927442 0.3927442 -0.0000000), wk = 0.0023697 k( 46) = ( 0.4016702 0.4016702 -0.0000000), wk = 0.0023697 k( 47) = ( 0.4105962 0.4105962 0.0000000), wk = 0.0023697 k( 48) = ( 0.4195222 0.4195222 0.0000000), wk = 0.0023697 k( 49) = ( 0.4284482 0.4284482 0.0000000), wk = 0.0023697 k( 50) = ( 0.4373743 0.4373743 0.0000000), wk = 0.0023697 k( 51) = ( 0.4463003 0.4463003 0.0000000), wk = 0.0023697 k( 52) = ( 0.4552263 0.4552263 0.0000000), wk = 0.0023697 k( 53) = ( 0.4552263 0.4552263 0.0000000), wk = 0.0023697 k( 54) = ( 0.4422198 0.4565055 0.0000000), wk = 0.0023697 k( 55) = ( 0.4292133 0.4577848 0.0000000), wk = 0.0023697 k( 56) = ( 0.4162069 0.4590640 -0.0000000), wk = 0.0023697 k( 57) = ( 0.4032004 0.4603433 0.0000000), wk = 0.0023697 k( 58) = ( 0.3901939 0.4616225 0.0000000), wk = 0.0023697 k( 59) = ( 0.3771875 0.4629018 0.0000000), wk = 0.0023697 k( 60) = ( 0.3641810 0.4641810 0.0000000), wk = 0.0023697 k( 61) = ( 0.3511745 0.4654603 0.0000000), wk = 0.0023697 k( 62) = ( 0.3381681 0.4667395 0.0000000), wk = 0.0023697 k( 63) = ( 0.3251616 0.4680188 0.0000000), wk = 0.0023697 k( 64) = ( 0.3121551 0.4692980 0.0000000), wk = 0.0023697 k( 65) = ( 0.2991487 0.4705773 0.0000000), wk = 0.0023697 k( 66) = ( 0.2861422 0.4718565 -0.0000000), wk = 0.0023697 k( 67) = ( 0.2731358 0.4731358 0.0000000), wk = 0.0023697 k( 68) = ( 0.2601293 0.4744150 0.0000000), wk = 0.0023697 k( 69) = ( 0.2471228 0.4756943 0.0000000), wk = 0.0023697 k( 70) = ( 0.2341164 0.4769735 0.0000000), wk = 0.0023697 k( 71) = ( 0.2211099 0.4782528 0.0000000), wk = 0.0023697 k( 72) = ( 0.2081034 0.4795320 0.0000000), wk = 0.0023697 k( 73) = ( 0.1950970 0.4808113 0.0000000), wk = 0.0023697 k( 74) = ( 0.1820905 0.4820905 0.0000000), wk = 0.0023697 k( 75) = ( 0.1690840 0.4833698 0.0000000), wk = 0.0023697 k( 76) = ( 0.1560776 0.4846490 -0.0000000), wk = 0.0023697 k( 77) = ( 0.1430711 0.4859283 0.0000000), wk = 0.0023697 k( 78) = ( 0.1300647 0.4872075 0.0000000), wk = 0.0023697 k( 79) = ( 0.1170582 0.4884867 0.0000000), wk = 0.0023697 k( 80) = ( 0.1040517 0.4897660 -0.0000000), wk = 0.0023697 k( 81) = ( 0.0910452 0.4910453 0.0000000), wk = 0.0023697 k( 82) = ( 0.0780388 0.4923245 0.0000000), wk = 0.0023697 k( 83) = ( 0.0650323 0.4936038 -0.0000000), wk = 0.0023697 k( 84) = ( 0.0520259 0.4948830 0.0000000), wk = 0.0023697 k( 85) = ( 0.0390194 0.4961623 0.0000000), wk = 0.0023697 k( 86) = ( 0.0260129 0.4974415 0.0000000), wk = 0.0023697 k( 87) = ( 0.0130065 0.4987207 0.0000000), wk = 0.0023697 k( 88) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 90) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0023697 k( 91) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0023697 k( 92) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0023697 k( 93) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0023697 k( 94) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0023697 k( 95) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0023697 k( 96) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0023697 k( 97) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0023697 k( 98) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0023697 k( 99) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0023697 k( 100) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0023697 k( 101) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0023697 k( 102) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0023697 k( 103) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0023697 k( 104) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0023697 k( 105) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0023697 k( 106) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0023697 k( 107) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0023697 k( 108) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0023697 k( 109) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0023697 k( 110) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0023697 k( 111) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0023697 k( 112) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0023697 k( 113) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0023697 k( 114) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0023697 k( 115) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0023697 k( 116) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0023697 k( 117) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0023697 k( 118) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0023697 k( 119) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0023697 k( 120) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 122) = ( 0.0130065 0.4987207 0.5000000), wk = 0.0023697 k( 123) = ( 0.0260129 0.4974415 0.5000000), wk = 0.0023697 k( 124) = ( 0.0390194 0.4961623 0.5000000), wk = 0.0023697 k( 125) = ( 0.0520259 0.4948830 0.5000000), wk = 0.0023697 k( 126) = ( 0.0650323 0.4936038 0.5000000), wk = 0.0023697 k( 127) = ( 0.0780388 0.4923245 0.5000000), wk = 0.0023697 k( 128) = ( 0.0910452 0.4910453 0.5000000), wk = 0.0023697 k( 129) = ( 0.1040517 0.4897660 0.5000000), wk = 0.0023697 k( 130) = ( 0.1170582 0.4884867 0.5000000), wk = 0.0023697 k( 131) = ( 0.1300647 0.4872075 0.5000000), wk = 0.0023697 k( 132) = ( 0.1430711 0.4859283 0.5000000), wk = 0.0023697 k( 133) = ( 0.1560776 0.4846490 0.5000000), wk = 0.0023697 k( 134) = ( 0.1690840 0.4833698 0.5000000), wk = 0.0023697 k( 135) = ( 0.1820905 0.4820905 0.5000000), wk = 0.0023697 k( 136) = ( 0.1950970 0.4808113 0.5000000), wk = 0.0023697 k( 137) = ( 0.2081034 0.4795320 0.5000000), wk = 0.0023697 k( 138) = ( 0.2211099 0.4782528 0.5000000), wk = 0.0023697 k( 139) = ( 0.2341164 0.4769735 0.5000000), wk = 0.0023697 k( 140) = ( 0.2471228 0.4756943 0.5000000), wk = 0.0023697 k( 141) = ( 0.2601293 0.4744150 0.5000000), wk = 0.0023697 k( 142) = ( 0.2731358 0.4731358 0.5000000), wk = 0.0023697 k( 143) = ( 0.2861422 0.4718565 0.5000000), wk = 0.0023697 k( 144) = ( 0.2991487 0.4705773 0.5000000), wk = 0.0023697 k( 145) = ( 0.3121551 0.4692980 0.5000000), wk = 0.0023697 k( 146) = ( 0.3251616 0.4680188 0.5000000), wk = 0.0023697 k( 147) = ( 0.3381681 0.4667395 0.5000000), wk = 0.0023697 k( 148) = ( 0.3511745 0.4654603 0.5000000), wk = 0.0023697 k( 149) = ( 0.3641810 0.4641810 0.5000000), wk = 0.0023697 k( 150) = ( 0.3771875 0.4629018 0.5000000), wk = 0.0023697 k( 151) = ( 0.3901939 0.4616225 0.5000000), wk = 0.0023697 k( 152) = ( 0.4032004 0.4603433 0.5000000), wk = 0.0023697 k( 153) = ( 0.4162069 0.4590640 0.5000000), wk = 0.0023697 k( 154) = ( 0.4292133 0.4577848 0.5000000), wk = 0.0023697 k( 155) = ( 0.4422198 0.4565055 0.5000000), wk = 0.0023697 k( 156) = ( 0.4552263 0.4552263 0.5000000), wk = 0.0023697 k( 157) = ( 0.4552263 0.4552263 0.5000000), wk = 0.0023697 k( 158) = ( 0.4463003 0.4463003 0.5000000), wk = 0.0023697 k( 159) = ( 0.4373743 0.4373743 0.5000000), wk = 0.0023697 k( 160) = ( 0.4284482 0.4284482 0.5000000), wk = 0.0023697 k( 161) = ( 0.4195222 0.4195222 0.5000000), wk = 0.0023697 k( 162) = ( 0.4105962 0.4105962 0.5000000), wk = 0.0023697 k( 163) = ( 0.4016702 0.4016702 0.5000000), wk = 0.0023697 k( 164) = ( 0.3927442 0.3927442 0.5000000), wk = 0.0023697 k( 165) = ( 0.3838182 0.3838182 0.5000000), wk = 0.0023697 k( 166) = ( 0.3748922 0.3748922 0.5000000), wk = 0.0023697 k( 167) = ( 0.3659662 0.3659662 0.5000000), wk = 0.0023697 k( 168) = ( 0.3570402 0.3570402 0.5000000), wk = 0.0023697 k( 169) = ( 0.3481142 0.3481142 0.5000000), wk = 0.0023697 k( 170) = ( 0.3391882 0.3391882 0.5000000), wk = 0.0023697 k( 171) = ( 0.3302622 0.3302622 0.5000000), wk = 0.0023697 k( 172) = ( 0.3213362 0.3213362 0.5000000), wk = 0.0023697 k( 173) = ( 0.3124102 0.3124102 0.5000000), wk = 0.0023697 k( 174) = ( 0.3034842 0.3034842 0.5000000), wk = 0.0023697 k( 175) = ( 0.2945582 0.2945582 0.5000000), wk = 0.0023697 k( 176) = ( 0.2856322 0.2856322 0.5000000), wk = 0.0023697 k( 177) = ( 0.2767062 0.2767062 0.5000000), wk = 0.0023697 k( 178) = ( 0.2677801 0.2677801 0.5000000), wk = 0.0023697 k( 179) = ( 0.2588542 0.2588542 0.5000000), wk = 0.0023697 k( 180) = ( 0.2499281 0.2499281 0.5000000), wk = 0.0023697 k( 181) = ( 0.2410021 0.2410021 0.5000000), wk = 0.0023697 k( 182) = ( 0.2320761 0.2320761 0.5000000), wk = 0.0023697 k( 183) = ( 0.2231501 0.2231501 0.5000000), wk = 0.0023697 k( 184) = ( 0.2142241 0.2142241 0.5000000), wk = 0.0023697 k( 185) = ( 0.2052981 0.2052981 0.5000000), wk = 0.0023697 k( 186) = ( 0.1963721 0.1963721 0.5000000), wk = 0.0023697 k( 187) = ( 0.1874461 0.1874461 0.5000000), wk = 0.0023697 k( 188) = ( 0.1785201 0.1785201 0.5000000), wk = 0.0023697 k( 189) = ( 0.1695941 0.1695941 0.5000000), wk = 0.0023697 k( 190) = ( 0.1606681 0.1606681 0.5000000), wk = 0.0023697 k( 191) = ( 0.1517421 0.1517421 0.5000000), wk = 0.0023697 k( 192) = ( 0.1428161 0.1428161 0.5000000), wk = 0.0023697 k( 193) = ( 0.1338901 0.1338901 0.5000000), wk = 0.0023697 k( 194) = ( 0.1249641 0.1249641 0.5000000), wk = 0.0023697 k( 195) = ( 0.1160381 0.1160381 0.5000000), wk = 0.0023697 k( 196) = ( 0.1071121 0.1071121 0.5000000), wk = 0.0023697 k( 197) = ( 0.0981861 0.0981861 0.5000000), wk = 0.0023697 k( 198) = ( 0.0892600 0.0892600 0.5000000), wk = 0.0023697 k( 199) = ( 0.0803341 0.0803341 0.5000000), wk = 0.0023697 k( 200) = ( 0.0714080 0.0714080 0.5000000), wk = 0.0023697 k( 201) = ( 0.0624820 0.0624820 0.5000000), wk = 0.0023697 k( 202) = ( 0.0535560 0.0535560 0.5000000), wk = 0.0023697 k( 203) = ( 0.0446300 0.0446300 0.5000000), wk = 0.0023697 k( 204) = ( 0.0357040 0.0357040 0.5000000), wk = 0.0023697 k( 205) = ( 0.0267780 0.0267780 0.5000000), wk = 0.0023697 k( 206) = ( 0.0178520 0.0178520 0.5000000), wk = 0.0023697 k( 207) = ( 0.0089260 0.0089260 0.5000000), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 210) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0023697 k( 211) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0023697 k( 212) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0023697 k( 213) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0023697 k( 214) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0023697 k( 215) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0023697 k( 216) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0023697 k( 217) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0023697 k( 218) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0023697 k( 219) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0023697 k( 220) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0023697 k( 221) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0023697 k( 222) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0023697 k( 223) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0023697 k( 224) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0023697 k( 225) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0023697 k( 226) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0023697 k( 227) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0023697 k( 228) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0023697 k( 229) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0023697 k( 230) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0023697 k( 231) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0023697 k( 232) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0023697 k( 233) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0023697 k( 234) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0023697 k( 235) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0023697 k( 236) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0023697 k( 237) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0023697 k( 238) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0023697 k( 239) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0023697 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 242) = ( -0.0098039 0.0098039 0.0000000), wk = 0.0023697 k( 243) = ( -0.0196078 0.0196078 0.0000000), wk = 0.0023697 k( 244) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0023697 k( 245) = ( -0.0392157 0.0392157 0.0000000), wk = 0.0023697 k( 246) = ( -0.0490196 0.0490196 0.0000000), wk = 0.0023697 k( 247) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0023697 k( 248) = ( -0.0686275 0.0686275 0.0000000), wk = 0.0023697 k( 249) = ( -0.0784314 0.0784314 0.0000000), wk = 0.0023697 k( 250) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0023697 k( 251) = ( -0.0980392 0.0980392 0.0000000), wk = 0.0023697 k( 252) = ( -0.1078431 0.1078431 0.0000000), wk = 0.0023697 k( 253) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0023697 k( 254) = ( -0.1274510 0.1274510 0.0000000), wk = 0.0023697 k( 255) = ( -0.1372549 0.1372549 0.0000000), wk = 0.0023697 k( 256) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0023697 k( 257) = ( -0.1568627 0.1568628 0.0000000), wk = 0.0023697 k( 258) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0023697 k( 259) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0023697 k( 260) = ( -0.1862745 0.1862745 0.0000000), wk = 0.0023697 k( 261) = ( -0.1960784 0.1960784 0.0000000), wk = 0.0023697 k( 262) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0023697 k( 263) = ( -0.2156863 0.2156863 0.0000000), wk = 0.0023697 k( 264) = ( -0.2254902 0.2254902 0.0000000), wk = 0.0023697 k( 265) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0023697 k( 266) = ( -0.2450980 0.2450980 0.0000000), wk = 0.0023697 k( 267) = ( -0.2549020 0.2549020 0.0000000), wk = 0.0023697 k( 268) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0023697 k( 269) = ( -0.2745098 0.2745098 0.0000000), wk = 0.0023697 k( 270) = ( -0.2843137 0.2843137 0.0000000), wk = 0.0023697 k( 271) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0023697 k( 272) = ( -0.3039216 0.3039216 0.0000000), wk = 0.0023697 k( 273) = ( -0.3137255 0.3137255 0.0000000), wk = 0.0023697 k( 274) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0023697 k( 275) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0023697 k( 276) = ( -0.3431373 0.3431373 0.0000000), wk = 0.0023697 k( 277) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0023697 k( 278) = ( -0.3627451 0.3627451 0.0000000), wk = 0.0023697 k( 279) = ( -0.3725490 0.3725490 0.0000000), wk = 0.0023697 k( 280) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0023697 k( 281) = ( -0.3921569 0.3921569 0.0000000), wk = 0.0023697 k( 282) = ( -0.4019608 0.4019608 0.0000000), wk = 0.0023697 k( 283) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0023697 k( 284) = ( -0.4215686 0.4215686 0.0000000), wk = 0.0023697 k( 285) = ( -0.4313726 0.4313726 0.0000000), wk = 0.0023697 k( 286) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0023697 k( 287) = ( -0.4509804 0.4509804 0.0000000), wk = 0.0023697 k( 288) = ( -0.4607843 0.4607843 0.0000000), wk = 0.0023697 k( 289) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0023697 k( 290) = ( -0.4803922 0.4803922 0.0000000), wk = 0.0023697 k( 291) = ( -0.4901961 0.4901961 0.0000000), wk = 0.0023697 k( 292) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 293) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 294) = ( -0.4925377 0.5074623 0.0000000), wk = 0.0023697 k( 295) = ( -0.4850754 0.5149246 0.0000000), wk = 0.0023697 k( 296) = ( -0.4776131 0.5223869 0.0000000), wk = 0.0023697 k( 297) = ( -0.4701508 0.5298492 0.0000000), wk = 0.0023697 k( 298) = ( -0.4626885 0.5373115 0.0000000), wk = 0.0023697 k( 299) = ( -0.4552263 0.5447737 0.0000000), wk = 0.0023697 k( 300) = ( -0.4552263 0.5447737 0.0000000), wk = 0.0023697 k( 301) = ( -0.4552263 0.5447737 0.0161290), wk = 0.0023697 k( 302) = ( -0.4552263 0.5447737 0.0322581), wk = 0.0023697 k( 303) = ( -0.4552263 0.5447737 0.0483871), wk = 0.0023697 k( 304) = ( -0.4552263 0.5447737 0.0645161), wk = 0.0023697 k( 305) = ( -0.4552263 0.5447737 0.0806452), wk = 0.0023697 k( 306) = ( -0.4552263 0.5447737 0.0967742), wk = 0.0023697 k( 307) = ( -0.4552263 0.5447737 0.1129032), wk = 0.0023697 k( 308) = ( -0.4552263 0.5447737 0.1290323), wk = 0.0023697 k( 309) = ( -0.4552263 0.5447737 0.1451613), wk = 0.0023697 k( 310) = ( -0.4552263 0.5447737 0.1612903), wk = 0.0023697 k( 311) = ( -0.4552263 0.5447737 0.1774194), wk = 0.0023697 k( 312) = ( -0.4552263 0.5447737 0.1935484), wk = 0.0023697 k( 313) = ( -0.4552263 0.5447737 0.2096774), wk = 0.0023697 k( 314) = ( -0.4552263 0.5447737 0.2258064), wk = 0.0023697 k( 315) = ( -0.4552263 0.5447737 0.2419355), wk = 0.0023697 k( 316) = ( -0.4552263 0.5447737 0.2580645), wk = 0.0023697 k( 317) = ( -0.4552263 0.5447737 0.2741936), wk = 0.0023697 k( 318) = ( -0.4552263 0.5447737 0.2903226), wk = 0.0023697 k( 319) = ( -0.4552263 0.5447737 0.3064516), wk = 0.0023697 k( 320) = ( -0.4552263 0.5447737 0.3225807), wk = 0.0023697 k( 321) = ( -0.4552263 0.5447737 0.3387097), wk = 0.0023697 k( 322) = ( -0.4552263 0.5447737 0.3548387), wk = 0.0023697 k( 323) = ( -0.4552263 0.5447737 0.3709677), wk = 0.0023697 k( 324) = ( -0.4552263 0.5447737 0.3870968), wk = 0.0023697 k( 325) = ( -0.4552263 0.5447737 0.4032258), wk = 0.0023697 k( 326) = ( -0.4552263 0.5447737 0.4193548), wk = 0.0023697 k( 327) = ( -0.4552263 0.5447737 0.4354839), wk = 0.0023697 k( 328) = ( -0.4552263 0.5447737 0.4516129), wk = 0.0023697 k( 329) = ( -0.4552263 0.5447737 0.4677419), wk = 0.0023697 k( 330) = ( -0.4552263 0.5447737 0.4838710), wk = 0.0023697 k( 331) = ( -0.4552263 0.5447737 0.5000000), wk = 0.0023697 k( 332) = ( -0.4552263 0.5447737 0.5000000), wk = 0.0023697 k( 333) = ( -0.4626885 0.5373115 0.5000000), wk = 0.0023697 k( 334) = ( -0.4701508 0.5298492 0.5000000), wk = 0.0023697 k( 335) = ( -0.4776131 0.5223869 0.5000000), wk = 0.0023697 k( 336) = ( -0.4850754 0.5149246 0.5000000), wk = 0.0023697 k( 337) = ( -0.4925377 0.5074623 0.5000000), wk = 0.0023697 k( 338) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 339) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 340) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0023697 k( 341) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0023697 k( 342) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0023697 k( 343) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0023697 k( 344) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0023697 k( 345) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0023697 k( 346) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0023697 k( 347) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0023697 k( 348) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0023697 k( 349) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0023697 k( 350) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0023697 k( 351) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0023697 k( 352) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0023697 k( 353) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0023697 k( 354) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0023697 k( 355) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0023697 k( 356) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0023697 k( 357) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0023697 k( 358) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0023697 k( 359) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0023697 k( 360) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0023697 k( 361) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0023697 k( 362) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0023697 k( 363) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0023697 k( 364) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0023697 k( 365) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0023697 k( 366) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0023697 k( 367) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0023697 k( 368) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0023697 k( 369) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0023697 k( 370) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 371) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 372) = ( -0.0098039 0.0098039 0.5000000), wk = 0.0023697 k( 373) = ( -0.0196078 0.0196078 0.5000000), wk = 0.0023697 k( 374) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0023697 k( 375) = ( -0.0392157 0.0392157 0.5000000), wk = 0.0023697 k( 376) = ( -0.0490196 0.0490196 0.5000000), wk = 0.0023697 k( 377) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0023697 k( 378) = ( -0.0686275 0.0686275 0.5000000), wk = 0.0023697 k( 379) = ( -0.0784314 0.0784314 0.5000000), wk = 0.0023697 k( 380) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0023697 k( 381) = ( -0.0980392 0.0980392 0.5000000), wk = 0.0023697 k( 382) = ( -0.1078431 0.1078431 0.5000000), wk = 0.0023697 k( 383) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0023697 k( 384) = ( -0.1274510 0.1274510 0.5000000), wk = 0.0023697 k( 385) = ( -0.1372549 0.1372549 0.5000000), wk = 0.0023697 k( 386) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0023697 k( 387) = ( -0.1568627 0.1568628 0.5000000), wk = 0.0023697 k( 388) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0023697 k( 389) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0023697 k( 390) = ( -0.1862745 0.1862745 0.5000000), wk = 0.0023697 k( 391) = ( -0.1960784 0.1960784 0.5000000), wk = 0.0023697 k( 392) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0023697 k( 393) = ( -0.2156863 0.2156863 0.5000000), wk = 0.0023697 k( 394) = ( -0.2254902 0.2254902 0.5000000), wk = 0.0023697 k( 395) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0023697 k( 396) = ( -0.2450980 0.2450980 0.5000000), wk = 0.0023697 k( 397) = ( -0.2549020 0.2549020 0.5000000), wk = 0.0023697 k( 398) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0023697 k( 399) = ( -0.2745098 0.2745098 0.5000000), wk = 0.0023697 k( 400) = ( -0.2843137 0.2843137 0.5000000), wk = 0.0023697 k( 401) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0023697 k( 402) = ( -0.3039216 0.3039216 0.5000000), wk = 0.0023697 k( 403) = ( -0.3137255 0.3137255 0.5000000), wk = 0.0023697 k( 404) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0023697 k( 405) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0023697 k( 406) = ( -0.3431373 0.3431373 0.5000000), wk = 0.0023697 k( 407) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0023697 k( 408) = ( -0.3627451 0.3627451 0.5000000), wk = 0.0023697 k( 409) = ( -0.3725490 0.3725490 0.5000000), wk = 0.0023697 k( 410) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0023697 k( 411) = ( -0.3921569 0.3921569 0.5000000), wk = 0.0023697 k( 412) = ( -0.4019608 0.4019608 0.5000000), wk = 0.0023697 k( 413) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0023697 k( 414) = ( -0.4215686 0.4215686 0.5000000), wk = 0.0023697 k( 415) = ( -0.4313726 0.4313726 0.5000000), wk = 0.0023697 k( 416) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0023697 k( 417) = ( -0.4509804 0.4509804 0.5000000), wk = 0.0023697 k( 418) = ( -0.4607843 0.4607843 0.5000000), wk = 0.0023697 k( 419) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0023697 k( 420) = ( -0.4803922 0.4803922 0.5000000), wk = 0.0023697 k( 421) = ( -0.4901961 0.4901961 0.5000000), wk = 0.0023697 k( 422) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 85753 G-vectors FFT dimensions: ( 54, 54, 64) Smooth grid: 22779 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 112, 44) NL pseudopotentials 0.12 Mb ( 56, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1784) G-vector shells 0.01 Mb ( 871) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 112, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) 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 43.3 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 47.0 secs Computing kpt #: 4 total cpu time spent up to now is 48.7 secs Computing kpt #: 5 total cpu time spent up to now is 50.5 secs Computing kpt #: 6 total cpu time spent up to now is 52.2 secs Computing kpt #: 7 total cpu time spent up to now is 53.9 secs Computing kpt #: 8 total cpu time spent up to now is 55.6 secs Computing kpt #: 9 total cpu time spent up to now is 57.5 secs Computing kpt #: 10 total cpu time spent up to now is 59.2 secs Computing kpt #: 11 total cpu time spent up to now is 60.8 secs Computing kpt #: 12 total cpu time spent up to now is 62.5 secs Computing kpt #: 13 total cpu time spent up to now is 64.3 secs Computing kpt #: 14 total cpu time spent up to now is 65.9 secs Computing kpt #: 15 total cpu time spent up to now is 67.5 secs Computing kpt #: 16 total cpu time spent up to now is 69.1 secs Computing kpt #: 17 total cpu time spent up to now is 70.8 secs Computing kpt #: 18 total cpu time spent up to now is 72.4 secs Computing kpt #: 19 total cpu time spent up to now is 73.9 secs Computing kpt #: 20 total cpu time spent up to now is 75.6 secs Computing kpt #: 21 total cpu time spent up to now is 77.2 secs Computing kpt #: 22 total cpu time spent up to now is 78.9 secs Computing kpt #: 23 total cpu time spent up to now is 80.5 secs Computing kpt #: 24 total cpu time spent up to now is 82.1 secs Computing kpt #: 25 total cpu time spent up to now is 83.8 secs Computing kpt #: 26 total cpu time spent up to now is 85.7 secs Computing kpt #: 27 total cpu time spent up to now is 87.7 secs Computing kpt #: 28 total cpu time spent up to now is 89.9 secs Computing kpt #: 29 total cpu time spent up to now is 92.1 secs Computing kpt #: 30 total cpu time spent up to now is 93.9 secs Computing kpt #: 31 total cpu time spent up to now is 95.7 secs Computing kpt #: 32 total cpu time spent up to now is 97.4 secs Computing kpt #: 33 total cpu time spent up to now is 99.1 secs Computing kpt #: 34 total cpu time spent up to now is 100.8 secs Computing kpt #: 35 total cpu time spent up to now is 102.5 secs Computing kpt #: 36 total cpu time spent up to now is 104.1 secs Computing kpt #: 37 total cpu time spent up to now is 105.8 secs Computing kpt #: 38 total cpu time spent up to now is 107.4 secs Computing kpt #: 39 total cpu time spent up to now is 109.1 secs Computing kpt #: 40 total cpu time spent up to now is 110.9 secs Computing kpt #: 41 total cpu time spent up to now is 112.9 secs Computing kpt #: 42 total cpu time spent up to now is 114.8 secs Computing kpt #: 43 total cpu time spent up to now is 116.8 secs Computing kpt #: 44 total cpu time spent up to now is 118.8 secs Computing kpt #: 45 total cpu time spent up to now is 121.6 secs Computing kpt #: 46 total cpu time spent up to now is 123.6 secs Computing kpt #: 47 total cpu time spent up to now is 125.4 secs Computing kpt #: 48 total cpu time spent up to now is 127.3 secs Computing kpt #: 49 total cpu time spent up to now is 129.4 secs Computing kpt #: 50 total cpu time spent up to now is 131.2 secs Computing kpt #: 51 total cpu time spent up to now is 133.8 secs Computing kpt #: 52 total cpu time spent up to now is 135.5 secs Computing kpt #: 53 total cpu time spent up to now is 137.0 secs Computing kpt #: 54 total cpu time spent up to now is 138.6 secs Computing kpt #: 55 total cpu time spent up to now is 140.1 secs Computing kpt #: 56 total cpu time spent up to now is 141.8 secs Computing kpt #: 57 total cpu time spent up to now is 143.4 secs Computing kpt #: 58 total cpu time spent up to now is 145.1 secs Computing kpt #: 59 total cpu time spent up to now is 146.7 secs Computing kpt #: 60 total cpu time spent up to now is 148.5 secs Computing kpt #: 61 total cpu time spent up to now is 150.3 secs Computing kpt #: 62 total cpu time spent up to now is 152.2 secs Computing kpt #: 63 total cpu time spent up to now is 154.0 secs Computing kpt #: 64 total cpu time spent up to now is 155.9 secs Computing kpt #: 65 total cpu time spent up to now is 157.6 secs Computing kpt #: 66 total cpu time spent up to now is 159.5 secs Computing kpt #: 67 total cpu time spent up to now is 161.2 secs Computing kpt #: 68 total cpu time spent up to now is 162.7 secs Computing kpt #: 69 total cpu time spent up to now is 164.3 secs Computing kpt #: 70 total cpu time spent up to now is 166.1 secs Computing kpt #: 71 total cpu time spent up to now is 167.6 secs Computing kpt #: 72 total cpu time spent up to now is 169.2 secs Computing kpt #: 73 total cpu time spent up to now is 170.9 secs Computing kpt #: 74 total cpu time spent up to now is 172.4 secs Computing kpt #: 75 total cpu time spent up to now is 174.0 secs Computing kpt #: 76 total cpu time spent up to now is 175.6 secs Computing kpt #: 77 total cpu time spent up to now is 177.2 secs Computing kpt #: 78 total cpu time spent up to now is 179.0 secs Computing kpt #: 79 total cpu time spent up to now is 180.7 secs Computing kpt #: 80 total cpu time spent up to now is 182.5 secs Computing kpt #: 81 total cpu time spent up to now is 184.3 secs Computing kpt #: 82 total cpu time spent up to now is 186.0 secs Computing kpt #: 83 total cpu time spent up to now is 187.9 secs Computing kpt #: 84 total cpu time spent up to now is 189.6 secs Computing kpt #: 85 total cpu time spent up to now is 191.5 secs Computing kpt #: 86 total cpu time spent up to now is 193.6 secs Computing kpt #: 87 total cpu time spent up to now is 195.8 secs Computing kpt #: 88 total cpu time spent up to now is 197.7 secs Computing kpt #: 89 total cpu time spent up to now is 199.4 secs Computing kpt #: 90 total cpu time spent up to now is 201.3 secs Computing kpt #: 91 total cpu time spent up to now is 203.1 secs Computing kpt #: 92 total cpu time spent up to now is 204.9 secs Computing kpt #: 93 total cpu time spent up to now is 206.7 secs Computing kpt #: 94 total cpu time spent up to now is 208.5 secs Computing kpt #: 95 total cpu time spent up to now is 210.5 secs Computing kpt #: 96 total cpu time spent up to now is 212.2 secs Computing kpt #: 97 total cpu time spent up to now is 214.0 secs Computing kpt #: 98 total cpu time spent up to now is 215.6 secs Computing kpt #: 99 total cpu time spent up to now is 217.4 secs Computing kpt #: 100 total cpu time spent up to now is 219.3 secs Computing kpt #: 101 total cpu time spent up to now is 221.1 secs Computing kpt #: 102 total cpu time spent up to now is 222.9 secs Computing kpt #: 103 total cpu time spent up to now is 224.6 secs Computing kpt #: 104 total cpu time spent up to now is 226.2 secs Computing kpt #: 105 total cpu time spent up to now is 227.9 secs Computing kpt #: 106 total cpu time spent up to now is 229.5 secs Computing kpt #: 107 total cpu time spent up to now is 231.3 secs Computing kpt #: 108 total cpu time spent up to now is 233.0 secs Computing kpt #: 109 total cpu time spent up to now is 234.8 secs Computing kpt #: 110 total cpu time spent up to now is 236.7 secs Computing kpt #: 111 total cpu time spent up to now is 238.6 secs Computing kpt #: 112 total cpu time spent up to now is 240.6 secs Computing kpt #: 113 total cpu time spent up to now is 242.6 secs Computing kpt #: 114 total cpu time spent up to now is 244.4 secs Computing kpt #: 115 total cpu time spent up to now is 246.3 secs Computing kpt #: 116 total cpu time spent up to now is 248.1 secs Computing kpt #: 117 total cpu time spent up to now is 249.7 secs Computing kpt #: 118 total cpu time spent up to now is 251.4 secs Computing kpt #: 119 total cpu time spent up to now is 253.0 secs Computing kpt #: 120 total cpu time spent up to now is 254.6 secs Computing kpt #: 121 total cpu time spent up to now is 256.3 secs Computing kpt #: 122 total cpu time spent up to now is 257.9 secs Computing kpt #: 123 total cpu time spent up to now is 259.6 secs Computing kpt #: 124 total cpu time spent up to now is 261.4 secs Computing kpt #: 125 total cpu time spent up to now is 263.4 secs Computing kpt #: 126 total cpu time spent up to now is 265.2 secs Computing kpt #: 127 total cpu time spent up to now is 267.0 secs Computing kpt #: 128 total cpu time spent up to now is 269.0 secs Computing kpt #: 129 total cpu time spent up to now is 270.7 secs Computing kpt #: 130 total cpu time spent up to now is 272.5 secs Computing kpt #: 131 total cpu time spent up to now is 274.2 secs Computing kpt #: 132 total cpu time spent up to now is 275.8 secs Computing kpt #: 133 total cpu time spent up to now is 277.5 secs Computing kpt #: 134 total cpu time spent up to now is 279.2 secs Computing kpt #: 135 total cpu time spent up to now is 281.2 secs Computing kpt #: 136 total cpu time spent up to now is 282.9 secs Computing kpt #: 137 total cpu time spent up to now is 284.6 secs Computing kpt #: 138 total cpu time spent up to now is 286.4 secs Computing kpt #: 139 total cpu time spent up to now is 288.2 secs Computing kpt #: 140 total cpu time spent up to now is 289.8 secs Computing kpt #: 141 total cpu time spent up to now is 291.5 secs Computing kpt #: 142 total cpu time spent up to now is 293.2 secs Computing kpt #: 143 total cpu time spent up to now is 294.8 secs Computing kpt #: 144 total cpu time spent up to now is 296.6 secs Computing kpt #: 145 total cpu time spent up to now is 298.5 secs Computing kpt #: 146 total cpu time spent up to now is 300.2 secs Computing kpt #: 147 total cpu time spent up to now is 301.9 secs Computing kpt #: 148 total cpu time spent up to now is 303.6 secs Computing kpt #: 149 total cpu time spent up to now is 305.3 secs Computing kpt #: 150 total cpu time spent up to now is 307.0 secs Computing kpt #: 151 total cpu time spent up to now is 308.7 secs Computing kpt #: 152 total cpu time spent up to now is 310.4 secs Computing kpt #: 153 total cpu time spent up to now is 312.2 secs Computing kpt #: 154 total cpu time spent up to now is 313.9 secs Computing kpt #: 155 total cpu time spent up to now is 315.9 secs Computing kpt #: 156 total cpu time spent up to now is 317.6 secs Computing kpt #: 157 total cpu time spent up to now is 319.2 secs Computing kpt #: 158 total cpu time spent up to now is 320.9 secs Computing kpt #: 159 total cpu time spent up to now is 322.6 secs Computing kpt #: 160 total cpu time spent up to now is 324.2 secs Computing kpt #: 161 total cpu time spent up to now is 325.8 secs Computing kpt #: 162 total cpu time spent up to now is 327.7 secs Computing kpt #: 163 total cpu time spent up to now is 329.6 secs Computing kpt #: 164 total cpu time spent up to now is 331.2 secs Computing kpt #: 165 total cpu time spent up to now is 333.1 secs Computing kpt #: 166 total cpu time spent up to now is 335.1 secs Computing kpt #: 167 total cpu time spent up to now is 337.0 secs Computing kpt #: 168 total cpu time spent up to now is 338.6 secs Computing kpt #: 169 total cpu time spent up to now is 340.3 secs Computing kpt #: 170 total cpu time spent up to now is 342.0 secs Computing kpt #: 171 total cpu time spent up to now is 344.0 secs Computing kpt #: 172 total cpu time spent up to now is 345.6 secs Computing kpt #: 173 total cpu time spent up to now is 347.3 secs Computing kpt #: 174 total cpu time spent up to now is 349.0 secs Computing kpt #: 175 total cpu time spent up to now is 350.7 secs Computing kpt #: 176 total cpu time spent up to now is 352.6 secs Computing kpt #: 177 total cpu time spent up to now is 354.3 secs Computing kpt #: 178 total cpu time spent up to now is 356.1 secs Computing kpt #: 179 total cpu time spent up to now is 357.9 secs Computing kpt #: 180 total cpu time spent up to now is 359.6 secs Computing kpt #: 181 total cpu time spent up to now is 361.6 secs Computing kpt #: 182 total cpu time spent up to now is 363.5 secs Computing kpt #: 183 total cpu time spent up to now is 365.3 secs Computing kpt #: 184 total cpu time spent up to now is 366.9 secs Computing kpt #: 185 total cpu time spent up to now is 368.6 secs Computing kpt #: 186 total cpu time spent up to now is 370.6 secs Computing kpt #: 187 total cpu time spent up to now is 372.7 secs Computing kpt #: 188 total cpu time spent up to now is 374.7 secs Computing kpt #: 189 total cpu time spent up to now is 376.5 secs Computing kpt #: 190 total cpu time spent up to now is 378.3 secs Computing kpt #: 191 total cpu time spent up to now is 380.0 secs Computing kpt #: 192 total cpu time spent up to now is 381.7 secs Computing kpt #: 193 total cpu time spent up to now is 383.6 secs Computing kpt #: 194 total cpu time spent up to now is 385.5 secs Computing kpt #: 195 total cpu time spent up to now is 387.2 secs Computing kpt #: 196 total cpu time spent up to now is 388.8 secs Computing kpt #: 197 total cpu time spent up to now is 390.6 secs Computing kpt #: 198 total cpu time spent up to now is 392.2 secs Computing kpt #: 199 total cpu time spent up to now is 394.0 secs Computing kpt #: 200 total cpu time spent up to now is 395.7 secs Computing kpt #: 201 total cpu time spent up to now is 397.6 secs Computing kpt #: 202 total cpu time spent up to now is 399.4 secs Computing kpt #: 203 total cpu time spent up to now is 401.2 secs Computing kpt #: 204 total cpu time spent up to now is 403.0 secs Computing kpt #: 205 total cpu time spent up to now is 405.0 secs Computing kpt #: 206 total cpu time spent up to now is 406.8 secs Computing kpt #: 207 total cpu time spent up to now is 408.6 secs Computing kpt #: 208 total cpu time spent up to now is 410.4 secs Computing kpt #: 209 total cpu time spent up to now is 412.2 secs Computing kpt #: 210 total cpu time spent up to now is 414.1 secs Computing kpt #: 211 total cpu time spent up to now is 416.1 secs Computing kpt #: 212 total cpu time spent up to now is 417.8 secs Computing kpt #: 213 total cpu time spent up to now is 419.8 secs Computing kpt #: 214 total cpu time spent up to now is 421.8 secs Computing kpt #: 215 total cpu time spent up to now is 423.7 secs Computing kpt #: 216 total cpu time spent up to now is 425.8 secs Computing kpt #: 217 total cpu time spent up to now is 427.6 secs Computing kpt #: 218 total cpu time spent up to now is 429.3 secs Computing kpt #: 219 total cpu time spent up to now is 431.1 secs Computing kpt #: 220 total cpu time spent up to now is 433.1 secs Computing kpt #: 221 total cpu time spent up to now is 434.9 secs Computing kpt #: 222 total cpu time spent up to now is 436.7 secs Computing kpt #: 223 total cpu time spent up to now is 438.6 secs Computing kpt #: 224 total cpu time spent up to now is 440.5 secs Computing kpt #: 225 total cpu time spent up to now is 442.8 secs Computing kpt #: 226 total cpu time spent up to now is 445.1 secs Computing kpt #: 227 total cpu time spent up to now is 447.0 secs Computing kpt #: 228 total cpu time spent up to now is 448.8 secs Computing kpt #: 229 total cpu time spent up to now is 450.5 secs Computing kpt #: 230 total cpu time spent up to now is 452.3 secs Computing kpt #: 231 total cpu time spent up to now is 454.1 secs Computing kpt #: 232 total cpu time spent up to now is 455.8 secs Computing kpt #: 233 total cpu time spent up to now is 457.6 secs Computing kpt #: 234 total cpu time spent up to now is 459.4 secs Computing kpt #: 235 total cpu time spent up to now is 461.2 secs Computing kpt #: 236 total cpu time spent up to now is 463.1 secs Computing kpt #: 237 total cpu time spent up to now is 465.0 secs Computing kpt #: 238 total cpu time spent up to now is 467.0 secs Computing kpt #: 239 total cpu time spent up to now is 468.8 secs Computing kpt #: 240 total cpu time spent up to now is 470.8 secs Computing kpt #: 241 total cpu time spent up to now is 473.1 secs Computing kpt #: 242 total cpu time spent up to now is 475.3 secs Computing kpt #: 243 total cpu time spent up to now is 477.2 secs Computing kpt #: 244 total cpu time spent up to now is 479.2 secs Computing kpt #: 245 total cpu time spent up to now is 481.2 secs Computing kpt #: 246 total cpu time spent up to now is 483.2 secs Computing kpt #: 247 total cpu time spent up to now is 485.6 secs Computing kpt #: 248 total cpu time spent up to now is 487.5 secs Computing kpt #: 249 total cpu time spent up to now is 489.5 secs Computing kpt #: 250 total cpu time spent up to now is 491.4 secs Computing kpt #: 251 total cpu time spent up to now is 493.6 secs Computing kpt #: 252 total cpu time spent up to now is 495.4 secs Computing kpt #: 253 total cpu time spent up to now is 497.4 secs Computing kpt #: 254 total cpu time spent up to now is 499.4 secs Computing kpt #: 255 total cpu time spent up to now is 501.5 secs Computing kpt #: 256 total cpu time spent up to now is 503.6 secs Computing kpt #: 257 total cpu time spent up to now is 505.8 secs Computing kpt #: 258 total cpu time spent up to now is 508.2 secs Computing kpt #: 259 total cpu time spent up to now is 511.1 secs Computing kpt #: 260 total cpu time spent up to now is 513.3 secs Computing kpt #: 261 total cpu time spent up to now is 515.7 secs Computing kpt #: 262 total cpu time spent up to now is 517.9 secs Computing kpt #: 263 total cpu time spent up to now is 520.2 secs Computing kpt #: 264 total cpu time spent up to now is 522.5 secs Computing kpt #: 265 total cpu time spent up to now is 524.5 secs Computing kpt #: 266 total cpu time spent up to now is 526.4 secs Computing kpt #: 267 total cpu time spent up to now is 528.2 secs Computing kpt #: 268 total cpu time spent up to now is 530.0 secs Computing kpt #: 269 total cpu time spent up to now is 531.9 secs Computing kpt #: 270 total cpu time spent up to now is 533.5 secs Computing kpt #: 271 total cpu time spent up to now is 535.3 secs Computing kpt #: 272 total cpu time spent up to now is 536.9 secs Computing kpt #: 273 total cpu time spent up to now is 538.5 secs Computing kpt #: 274 total cpu time spent up to now is 540.1 secs Computing kpt #: 275 total cpu time spent up to now is 541.8 secs Computing kpt #: 276 total cpu time spent up to now is 543.5 secs Computing kpt #: 277 total cpu time spent up to now is 545.1 secs Computing kpt #: 278 total cpu time spent up to now is 546.9 secs Computing kpt #: 279 total cpu time spent up to now is 548.9 secs Computing kpt #: 280 total cpu time spent up to now is 550.8 secs Computing kpt #: 281 total cpu time spent up to now is 552.6 secs Computing kpt #: 282 total cpu time spent up to now is 554.5 secs Computing kpt #: 283 total cpu time spent up to now is 556.2 secs Computing kpt #: 284 total cpu time spent up to now is 558.0 secs Computing kpt #: 285 total cpu time spent up to now is 559.5 secs Computing kpt #: 286 total cpu time spent up to now is 561.0 secs Computing kpt #: 287 total cpu time spent up to now is 562.5 secs Computing kpt #: 288 total cpu time spent up to now is 564.0 secs Computing kpt #: 289 total cpu time spent up to now is 565.5 secs Computing kpt #: 290 total cpu time spent up to now is 567.3 secs Computing kpt #: 291 total cpu time spent up to now is 568.9 secs Computing kpt #: 292 total cpu time spent up to now is 570.5 secs Computing kpt #: 293 total cpu time spent up to now is 572.0 secs Computing kpt #: 294 total cpu time spent up to now is 573.5 secs Computing kpt #: 295 total cpu time spent up to now is 574.9 secs Computing kpt #: 296 total cpu time spent up to now is 576.7 secs Computing kpt #: 297 total cpu time spent up to now is 578.2 secs Computing kpt #: 298 total cpu time spent up to now is 579.9 secs Computing kpt #: 299 total cpu time spent up to now is 581.4 secs Computing kpt #: 300 total cpu time spent up to now is 582.9 secs Computing kpt #: 301 total cpu time spent up to now is 584.4 secs Computing kpt #: 302 total cpu time spent up to now is 585.9 secs Computing kpt #: 303 total cpu time spent up to now is 587.9 secs Computing kpt #: 304 total cpu time spent up to now is 589.4 secs Computing kpt #: 305 total cpu time spent up to now is 591.0 secs Computing kpt #: 306 total cpu time spent up to now is 592.5 secs Computing kpt #: 307 total cpu time spent up to now is 594.0 secs Computing kpt #: 308 total cpu time spent up to now is 595.6 secs Computing kpt #: 309 total cpu time spent up to now is 597.3 secs Computing kpt #: 310 total cpu time spent up to now is 599.4 secs Computing kpt #: 311 total cpu time spent up to now is 601.0 secs Computing kpt #: 312 total cpu time spent up to now is 602.6 secs Computing kpt #: 313 total cpu time spent up to now is 604.1 secs Computing kpt #: 314 total cpu time spent up to now is 605.8 secs Computing kpt #: 315 total cpu time spent up to now is 607.6 secs Computing kpt #: 316 total cpu time spent up to now is 609.2 secs Computing kpt #: 317 total cpu time spent up to now is 611.0 secs Computing kpt #: 318 total cpu time spent up to now is 612.6 secs Computing kpt #: 319 total cpu time spent up to now is 614.2 secs Computing kpt #: 320 total cpu time spent up to now is 616.1 secs Computing kpt #: 321 total cpu time spent up to now is 617.8 secs Computing kpt #: 322 total cpu time spent up to now is 619.7 secs Computing kpt #: 323 total cpu time spent up to now is 621.8 secs Computing kpt #: 324 total cpu time spent up to now is 624.0 secs Computing kpt #: 325 total cpu time spent up to now is 625.8 secs Computing kpt #: 326 total cpu time spent up to now is 627.5 secs Computing kpt #: 327 total cpu time spent up to now is 629.2 secs Computing kpt #: 328 total cpu time spent up to now is 630.9 secs Computing kpt #: 329 total cpu time spent up to now is 632.7 secs Computing kpt #: 330 total cpu time spent up to now is 634.3 secs Computing kpt #: 331 total cpu time spent up to now is 636.1 secs Computing kpt #: 332 total cpu time spent up to now is 637.9 secs Computing kpt #: 333 total cpu time spent up to now is 639.6 secs Computing kpt #: 334 total cpu time spent up to now is 641.3 secs Computing kpt #: 335 total cpu time spent up to now is 643.0 secs Computing kpt #: 336 total cpu time spent up to now is 644.7 secs Computing kpt #: 337 total cpu time spent up to now is 646.3 secs Computing kpt #: 338 total cpu time spent up to now is 648.0 secs Computing kpt #: 339 total cpu time spent up to now is 649.9 secs Computing kpt #: 340 total cpu time spent up to now is 651.9 secs Computing kpt #: 341 total cpu time spent up to now is 653.7 secs Computing kpt #: 342 total cpu time spent up to now is 655.3 secs Computing kpt #: 343 total cpu time spent up to now is 657.2 secs Computing kpt #: 344 total cpu time spent up to now is 659.1 secs Computing kpt #: 345 total cpu time spent up to now is 661.1 secs Computing kpt #: 346 total cpu time spent up to now is 663.1 secs Computing kpt #: 347 total cpu time spent up to now is 665.0 secs Computing kpt #: 348 total cpu time spent up to now is 666.7 secs Computing kpt #: 349 total cpu time spent up to now is 668.4 secs Computing kpt #: 350 total cpu time spent up to now is 670.0 secs Computing kpt #: 351 total cpu time spent up to now is 671.6 secs Computing kpt #: 352 total cpu time spent up to now is 673.2 secs Computing kpt #: 353 total cpu time spent up to now is 674.9 secs Computing kpt #: 354 total cpu time spent up to now is 676.5 secs Computing kpt #: 355 total cpu time spent up to now is 678.1 secs Computing kpt #: 356 total cpu time spent up to now is 679.6 secs Computing kpt #: 357 total cpu time spent up to now is 681.1 secs Computing kpt #: 358 total cpu time spent up to now is 682.7 secs Computing kpt #: 359 total cpu time spent up to now is 684.2 secs Computing kpt #: 360 total cpu time spent up to now is 685.7 secs Computing kpt #: 361 total cpu time spent up to now is 687.5 secs Computing kpt #: 362 total cpu time spent up to now is 689.0 secs Computing kpt #: 363 total cpu time spent up to now is 690.4 secs Computing kpt #: 364 total cpu time spent up to now is 692.5 secs Computing kpt #: 365 total cpu time spent up to now is 694.0 secs Computing kpt #: 366 total cpu time spent up to now is 695.5 secs Computing kpt #: 367 total cpu time spent up to now is 697.2 secs Computing kpt #: 368 total cpu time spent up to now is 698.6 secs Computing kpt #: 369 total cpu time spent up to now is 700.1 secs Computing kpt #: 370 total cpu time spent up to now is 701.6 secs Computing kpt #: 371 total cpu time spent up to now is 703.5 secs Computing kpt #: 372 total cpu time spent up to now is 705.2 secs Computing kpt #: 373 total cpu time spent up to now is 707.3 secs Computing kpt #: 374 total cpu time spent up to now is 709.0 secs Computing kpt #: 375 total cpu time spent up to now is 711.0 secs Computing kpt #: 376 total cpu time spent up to now is 712.9 secs Computing kpt #: 377 total cpu time spent up to now is 714.8 secs Computing kpt #: 378 total cpu time spent up to now is 716.7 secs Computing kpt #: 379 total cpu time spent up to now is 718.8 secs Computing kpt #: 380 total cpu time spent up to now is 720.6 secs Computing kpt #: 381 total cpu time spent up to now is 722.3 secs Computing kpt #: 382 total cpu time spent up to now is 724.0 secs Computing kpt #: 383 total cpu time spent up to now is 725.8 secs Computing kpt #: 384 total cpu time spent up to now is 727.5 secs Computing kpt #: 385 total cpu time spent up to now is 729.3 secs Computing kpt #: 386 total cpu time spent up to now is 731.0 secs Computing kpt #: 387 total cpu time spent up to now is 732.7 secs Computing kpt #: 388 total cpu time spent up to now is 734.4 secs Computing kpt #: 389 total cpu time spent up to now is 736.5 secs Computing kpt #: 390 total cpu time spent up to now is 738.3 secs Computing kpt #: 391 total cpu time spent up to now is 739.9 secs Computing kpt #: 392 total cpu time spent up to now is 741.6 secs Computing kpt #: 393 total cpu time spent up to now is 743.2 secs Computing kpt #: 394 total cpu time spent up to now is 745.0 secs Computing kpt #: 395 total cpu time spent up to now is 746.8 secs Computing kpt #: 396 total cpu time spent up to now is 748.4 secs Computing kpt #: 397 total cpu time spent up to now is 750.1 secs Computing kpt #: 398 total cpu time spent up to now is 751.7 secs Computing kpt #: 399 total cpu time spent up to now is 753.4 secs Computing kpt #: 400 total cpu time spent up to now is 755.0 secs Computing kpt #: 401 total cpu time spent up to now is 756.7 secs Computing kpt #: 402 total cpu time spent up to now is 758.4 secs Computing kpt #: 403 total cpu time spent up to now is 760.1 secs Computing kpt #: 404 total cpu time spent up to now is 761.8 secs Computing kpt #: 405 total cpu time spent up to now is 763.4 secs Computing kpt #: 406 total cpu time spent up to now is 765.1 secs Computing kpt #: 407 total cpu time spent up to now is 767.4 secs Computing kpt #: 408 total cpu time spent up to now is 769.2 secs Computing kpt #: 409 total cpu time spent up to now is 770.8 secs Computing kpt #: 410 total cpu time spent up to now is 772.5 secs Computing kpt #: 411 total cpu time spent up to now is 774.2 secs Computing kpt #: 412 total cpu time spent up to now is 776.2 secs Computing kpt #: 413 total cpu time spent up to now is 777.9 secs Computing kpt #: 414 total cpu time spent up to now is 779.6 secs Computing kpt #: 415 total cpu time spent up to now is 781.3 secs Computing kpt #: 416 total cpu time spent up to now is 783.1 secs Computing kpt #: 417 total cpu time spent up to now is 784.7 secs Computing kpt #: 418 total cpu time spent up to now is 786.4 secs Computing kpt #: 419 total cpu time spent up to now is 788.1 secs Computing kpt #: 420 total cpu time spent up to now is 789.8 secs Computing kpt #: 421 total cpu time spent up to now is 791.7 secs Computing kpt #: 422 total cpu time spent up to now is 793.3 secs ethr = 2.78E-11, avg # of iterations = 35.3 total cpu time spent up to now is 793.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2819 PWs) bands (ev): -1.7807 -1.7807 0.8040 0.8040 3.4779 3.4779 3.5935 3.5935 3.6292 3.6292 4.1686 4.1686 4.9114 4.9114 5.2512 5.2512 5.4701 5.4701 5.5568 5.5568 5.6100 5.6100 6.6129 6.6129 6.6887 6.6887 8.2389 8.2389 8.8864 8.8864 9.4729 9.4729 9.8204 9.8204 12.2135 12.2135 13.0356 13.0356 13.4834 13.4834 16.3436 16.3436 17.2153 17.2153 k = 0.0089 0.0099-0.0000 ( 2819 PWs) bands (ev): -1.7793 -1.7793 0.8047 0.8047 3.4777 3.4777 3.5928 3.5928 3.6295 3.6295 4.1678 4.1678 4.9107 4.9107 5.2513 5.2513 5.4699 5.4699 5.5562 5.5562 5.6096 5.6096 6.6132 6.6132 6.6867 6.6867 8.2233 8.2233 8.8642 8.8642 9.5023 9.5023 9.8349 9.8349 12.2179 12.2179 13.0359 13.0359 13.4820 13.4820 16.3369 16.3369 17.1979 17.1979 k = 0.0179 0.0197-0.0000 ( 2821 PWs) bands (ev): -1.7753 -1.7753 0.8070 0.8070 3.4771 3.4771 3.5909 3.5909 3.6302 3.6302 4.1657 4.1657 4.9086 4.9086 5.2514 5.2514 5.4694 5.4694 5.5545 5.5545 5.6084 5.6084 6.6123 6.6123 6.6823 6.6823 8.1785 8.1785 8.8084 8.8084 9.5797 9.5797 9.8763 9.8763 12.2310 12.2310 13.0369 13.0369 13.4778 13.4778 16.3174 16.3174 17.1514 17.1514 k = 0.0268 0.0296-0.0000 ( 2831 PWs) bands (ev): -1.7687 -1.7687 0.8108 0.8108 3.4761 3.4761 3.5880 3.5880 3.6312 3.6312 4.1621 4.1621 4.9051 4.9051 5.2516 5.2516 5.4683 5.4683 5.5519 5.5519 5.6063 5.6063 6.6044 6.6044 6.6816 6.6816 8.1096 8.1096 8.7366 8.7366 9.6864 9.6864 9.9396 9.9396 12.2534 12.2534 13.0388 13.0388 13.4710 13.4710 16.2858 16.2858 17.0868 17.0868 k = 0.0357 0.0394-0.0000 ( 2829 PWs) bands (ev): -1.7593 -1.7593 0.8159 0.8159 3.4747 3.4747 3.5843 3.5843 3.6323 3.6323 4.1572 4.1572 4.9001 4.9001 5.2519 5.2519 5.4665 5.4665 5.5484 5.5484 5.6033 5.6033 6.5844 6.5844 6.6900 6.6900 8.0227 8.0227 8.6604 8.6604 9.8099 9.8099 10.0180 10.0180 12.2856 12.2856 13.0419 13.0419 13.4617 13.4617 16.2434 16.2434 17.0124 17.0124 k = 0.0446 0.0493-0.0000 ( 2831 PWs) bands (ev): -1.7474 -1.7474 0.8225 0.8225 3.4729 3.4729 3.5798 3.5798 3.6333 3.6333 4.1510 4.1510 4.8938 4.8938 5.2523 5.2523 5.4636 5.4636 5.5443 5.5443 5.5996 5.5996 6.5530 6.5530 6.7074 6.7074 7.9236 7.9236 8.5856 8.5856 9.9428 9.9428 10.1052 10.1052 12.3285 12.3285 13.0466 13.0466 13.4504 13.4504 16.1917 16.1917 16.9327 16.9327 k = 0.0536 0.0591-0.0000 ( 2827 PWs) bands (ev): -1.7329 -1.7329 0.8304 0.8304 3.4708 3.4708 3.5748 3.5748 3.6341 3.6341 4.1436 4.1436 4.8861 4.8861 5.2528 5.2528 5.4594 5.4594 5.5397 5.5397 5.5951 5.5951 6.5128 6.5128 6.7316 6.7316 7.8172 7.8172 8.5149 8.5149 10.0806 10.0806 10.1956 10.1956 12.3828 12.3828 13.0537 13.0537 13.4376 13.4376 16.1321 16.1321 16.8502 16.8502 k = 0.0625 0.0690-0.0000 ( 2823 PWs) bands (ev): -1.7158 -1.7158 0.8394 0.8394 3.4682 3.4682 3.5693 3.5693 3.6346 3.6346 4.1351 4.1351 4.8771 4.8771 5.2533 5.2533 5.4536 5.4536 5.5350 5.5350 5.5900 5.5900 6.4662 6.4662 6.7611 6.7611 7.7070 7.7070 8.4493 8.4493 10.2196 10.2196 10.2855 10.2855 12.4491 12.4491 13.0640 13.0640 13.4242 13.4242 16.0661 16.0661 16.7662 16.7662 k = 0.0714 0.0788-0.0000 ( 2827 PWs) bands (ev): -1.6962 -1.6962 0.8496 0.8496 3.4653 3.4653 3.5635 3.5635 3.6346 3.6346 4.1256 4.1256 4.8669 4.8669 5.2536 5.2536 5.4458 5.4458 5.5302 5.5302 5.5843 5.5843 6.4148 6.4148 6.7952 6.7952 7.5958 7.5958 8.3892 8.3892 10.3482 10.3482 10.3800 10.3800 12.5273 12.5273 13.0787 13.0787 13.4113 13.4113 15.9949 15.9949 16.6814 16.6814 k = 0.0803 0.0887-0.0000 ( 2821 PWs) bands (ev): -1.6741 -1.6741 0.8607 0.8607 3.4621 3.4621 3.5574 3.5574 3.6342 3.6342 4.1153 4.1153 4.8554 4.8554 5.2537 5.2537 5.4361 5.4361 5.5252 5.5252 5.5782 5.5782 6.3599 6.3599 6.8334 6.8334 7.4859 7.4859 8.3347 8.3347 10.4340 10.4340 10.5063 10.5063 12.6156 12.6156 13.0995 13.0995 13.4011 13.4011 15.9195 15.9195 16.5960 16.5960 k = 0.0893 0.0985-0.0000 ( 2829 PWs) bands (ev): -1.6497 -1.6497 0.8727 0.8727 3.4584 3.4584 3.5510 3.5510 3.6333 3.6333 4.1041 4.1041 4.8429 4.8429 5.2531 5.2531 5.4244 5.4244 5.5199 5.5199 5.5718 5.5718 6.3031 6.3031 6.8754 6.8754 7.3786 7.3786 8.2854 8.2854 10.4995 10.4995 10.6379 10.6379 12.7097 12.7097 13.1301 13.1301 13.3964 13.3964 15.8407 15.8407 16.5098 16.5098 k = 0.0982 0.1084-0.0000 ( 2835 PWs) bands (ev): -1.6229 -1.6229 0.8852 0.8852 3.4545 3.4545 3.5443 3.5443 3.6319 3.6319 4.0924 4.0924 4.8294 4.8294 5.2514 5.2514 5.4113 5.4113 5.5140 5.5140 5.5652 5.5652 6.2457 6.2457 6.9207 6.9207 7.2753 7.2753 8.2408 8.2408 10.5523 10.5523 10.7637 10.7637 12.7997 12.7997 13.1772 13.1772 13.4019 13.4019 15.7593 15.7593 16.4221 16.4221 k = 0.1071 0.1182-0.0000 ( 2839 PWs) bands (ev): -1.5939 -1.5939 0.8983 0.8983 3.4503 3.4503 3.5375 3.5375 3.6298 3.6298 4.0802 4.0802 4.8151 4.8151 5.2478 5.2478 5.3975 5.3975 5.5072 5.5072 5.5584 5.5584 6.1890 6.1890 6.9691 6.9691 7.1770 7.1770 8.2006 8.2006 10.5932 10.5932 10.8805 10.8805 12.8701 12.8701 13.2516 13.2516 13.4230 13.4230 15.6756 15.6756 16.3318 16.3318 k = 0.1160 0.1281-0.0000 ( 2835 PWs) bands (ev): -1.5626 -1.5626 0.9115 0.9115 3.4458 3.4458 3.5306 3.5306 3.6272 3.6272 4.0676 4.0676 4.8001 4.8001 5.2411 5.2411 5.3841 5.3841 5.4992 5.4992 5.5516 5.5516 6.1343 6.1343 7.0203 7.0203 7.0843 7.0843 8.1641 8.1641 10.6225 10.6225 10.9862 10.9862 12.9093 12.9093 13.3587 13.3587 13.4667 13.4667 15.5904 15.5904 16.2369 16.2369 k = 0.1250 0.1379-0.0000 ( 2839 PWs) bands (ev): -1.5294 -1.5294 0.9248 0.9248 3.4411 3.4411 3.5235 3.5235 3.6240 3.6240 4.0548 4.0548 4.7847 4.7847 5.2299 5.2299 5.3724 5.3724 5.4900 5.4900 5.5447 5.5447 6.0827 6.0827 6.9976 6.9976 7.0741 7.0741 8.1309 8.1309 10.6410 10.6410 11.0789 11.0789 12.9193 12.9193 13.4797 13.4797 13.5494 13.5494 15.5041 15.5041 16.1353 16.1353 k = 0.1339 0.1478-0.0000 ( 2839 PWs) bands (ev): -1.4941 -1.4941 0.9379 0.9379 3.4362 3.4362 3.5163 3.5163 3.6201 3.6201 4.0420 4.0420 4.7690 4.7690 5.2132 5.2132 5.3637 5.3637 5.4792 5.4792 5.5376 5.5376 6.0352 6.0352 6.9175 6.9175 7.1302 7.1302 8.1006 8.1006 10.6494 10.6494 11.1575 11.1575 12.9087 12.9087 13.5827 13.5827 13.6930 13.6930 15.4172 15.4172 16.0243 16.0243 k = 0.1428 0.1576-0.0000 ( 2845 PWs) bands (ev): -1.4570 -1.4570 0.9504 0.9504 3.4312 3.4312 3.5091 3.5091 3.6156 3.6156 4.0292 4.0292 4.7533 4.7533 5.1907 5.1907 5.3584 5.3584 5.4669 5.4669 5.5305 5.5305 5.9925 5.9925 6.8439 6.8439 7.1883 7.1883 8.0728 8.0728 10.6488 10.6488 11.2215 11.2215 12.8847 12.8847 13.6890 13.6890 13.8662 13.8662 15.3304 15.3304 15.9023 15.9023 k = 0.1517 0.1675-0.0000 ( 2837 PWs) bands (ev): -1.4182 -1.4182 0.9622 0.9622 3.4263 3.4263 3.5019 3.5019 3.6106 3.6106 4.0166 4.0166 4.7379 4.7379 5.1630 5.1630 5.3563 5.3563 5.4530 5.4530 5.5232 5.5232 5.9552 5.9552 6.7770 6.7770 7.2483 7.2483 8.0472 8.0472 10.6399 10.6399 11.2711 11.2711 12.8517 12.8517 13.8096 13.8096 14.0490 14.0490 15.2443 15.2443 15.7698 15.7698 k = 0.1607 0.1773-0.0000 ( 2845 PWs) bands (ev): -1.3779 -1.3779 0.9730 0.9730 3.4215 3.4215 3.4947 3.4947 3.6051 3.6051 4.0044 4.0044 4.7230 4.7230 5.1311 5.1311 5.3564 5.3564 5.4377 5.4377 5.5161 5.5161 5.9233 5.9233 6.7164 6.7164 7.3099 7.3099 8.0235 8.0235 10.6237 10.6237 11.3071 11.3071 12.8125 12.8125 13.9440 13.9440 14.2303 14.2303 15.1600 15.1600 15.6317 15.6317 k = 0.1696 0.1872-0.0000 ( 2849 PWs) bands (ev): -1.3361 -1.3361 0.9824 0.9824 3.4169 3.4169 3.4875 3.4875 3.5991 3.5991 3.9928 3.9928 4.7088 4.7088 5.0963 5.0963 5.3578 5.3578 5.4217 5.4217 5.5092 5.5092 5.8968 5.8968 6.6620 6.6620 7.3728 7.3728 8.0015 8.0015 10.6010 10.6010 11.3307 11.3307 12.7688 12.7688 14.0891 14.0891 14.3944 14.3944 15.0791 15.0791 15.5021 15.5021 k = 0.1785 0.1970-0.0000 ( 2855 PWs) bands (ev): -1.2930 -1.2930 0.9903 0.9903 3.4127 3.4127 3.4805 3.4805 3.5928 3.5928 3.9817 3.9817 4.6955 4.6955 5.0597 5.0597 5.3591 5.3591 5.4062 5.4062 5.5026 5.5026 5.8752 5.8752 6.6134 6.6134 7.4370 7.4370 7.9809 7.9809 10.5723 10.5723 11.3433 11.3433 12.7217 12.7217 14.2397 14.2397 14.5095 14.5095 15.0052 15.0052 15.4132 15.4132 k = 0.1874 0.2069-0.0000 ( 2855 PWs) bands (ev): -1.2489 -1.2489 0.9964 0.9964 3.4091 3.4091 3.4736 3.4736 3.5863 3.5863 3.9715 3.9715 4.6832 4.6832 5.0224 5.0224 5.3570 5.3570 5.3946 5.3946 5.4964 5.4964 5.8581 5.8581 6.5701 6.5701 7.5020 7.5020 7.9618 7.9618 10.5383 10.5383 11.3466 11.3466 12.6722 12.6722 14.3847 14.3847 14.5278 14.5278 14.9465 14.9465 15.4147 15.4147 k = 0.1964 0.2167-0.0000 ( 2855 PWs) bands (ev): -1.2040 -1.2040 1.0004 1.0004 3.4061 3.4061 3.4670 3.4670 3.5797 3.5797 3.9621 3.9621 4.6721 4.6721 4.9855 4.9855 5.3475 5.3475 5.3912 5.3912 5.4907 5.4907 5.8446 5.8446 6.5316 6.5316 7.5678 7.5678 7.9440 7.9440 10.4994 10.4994 11.3417 11.3417 12.6206 12.6206 14.4217 14.4217 14.5157 14.5157 14.9233 14.9233 15.5216 15.5216 k = 0.2053 0.2266-0.0000 ( 2845 PWs) bands (ev): -1.1583 -1.1583 1.0021 1.0021 3.4041 3.4041 3.4607 3.4607 3.5731 3.5731 3.9537 3.9537 4.6620 4.6620 4.9501 4.9501 5.3326 5.3326 5.3942 5.3942 5.4855 5.4855 5.8344 5.8344 6.4976 6.4976 7.6341 7.6341 7.9274 7.9274 10.4562 10.4562 11.3302 11.3302 12.5677 12.5677 14.2610 14.2610 14.5617 14.5617 14.9742 14.9742 15.6951 15.6951 k = 0.2142 0.2364-0.0000 ( 2849 PWs) bands (ev): -1.1122 -1.1122 1.0014 1.0014 3.4031 3.4031 3.4550 3.4550 3.5668 3.5668 3.9463 3.9463 4.6526 4.6526 4.9173 4.9173 5.3160 5.3160 5.4002 5.4002 5.4809 5.4809 5.8266 5.8266 6.4676 6.4676 7.7007 7.7007 7.9121 7.9121 10.4090 10.4090 11.3131 11.3131 12.5136 12.5136 14.0611 14.0611 14.5414 14.5414 15.0975 15.0975 15.8999 15.8999 k = 0.2232 0.2463-0.0000 ( 2849 PWs) bands (ev): -1.0659 -1.0659 0.9981 0.9981 3.4034 3.4034 3.4500 3.4500 3.5607 3.5607 3.9400 3.9400 4.6435 4.6435 4.8882 4.8882 5.2994 5.2994 5.4076 5.4076 5.4768 5.4768 5.8210 5.8210 6.4411 6.4411 7.7673 7.7673 7.8980 7.8980 10.3580 10.3580 11.2914 11.2914 12.4587 12.4587 13.8432 13.8432 14.4907 14.4907 15.2502 15.2502 16.1177 16.1177 k = 0.2321 0.2561-0.0000 ( 2843 PWs) bands (ev): -1.0196 -1.0196 0.9921 0.9921 3.4050 3.4050 3.4458 3.4458 3.5551 3.5551 3.9347 3.9347 4.6342 4.6342 4.8640 4.8640 5.2833 5.2833 5.4158 5.4158 5.4735 5.4735 5.8172 5.8172 6.4177 6.4177 7.8336 7.8336 7.8855 7.8855 10.3035 10.3035 11.2660 11.2660 12.4033 12.4033 13.6159 13.6159 14.4301 14.4301 15.4058 15.4058 16.3375 16.3375 k = 0.2410 0.2660-0.0000 ( 2847 PWs) bands (ev): -0.9736 -0.9736 0.9836 0.9836 3.4084 3.4084 3.4426 3.4426 3.5501 3.5501 3.9305 3.9305 4.6239 4.6239 4.8457 4.8457 5.2683 5.2683 5.4243 5.4243 5.4711 5.4711 5.8147 5.8147 6.3970 6.3970 7.8725 7.8725 7.9013 7.9013 10.2456 10.2456 11.2375 11.2375 12.3476 12.3476 13.3839 13.3839 14.3673 14.3673 15.5490 15.5490 16.5500 16.5500 k = 0.2499 0.2758-0.0000 ( 2849 PWs) bands (ev): -0.9281 -0.9281 0.9724 0.9724 3.4136 3.4136 3.4406 3.4406 3.5456 3.5456 3.9273 3.9273 4.6123 4.6123 4.8341 4.8341 5.2543 5.2543 5.4324 5.4324 5.4704 5.4704 5.8134 5.8134 6.3788 6.3788 7.8633 7.8633 7.9662 7.9662 10.1845 10.1845 11.2066 11.2066 12.2919 12.2919 13.1501 13.1501 14.3052 14.3052 15.6659 15.6659 16.7443 16.7443 k = 0.2589 0.2857-0.0000 ( 2849 PWs) bands (ev): -0.8834 -0.8834 0.9587 0.9587 3.4208 3.4208 3.4399 3.4399 3.5417 3.5417 3.9252 3.9252 4.5993 4.5993 4.8293 4.8293 5.2415 5.2415 5.4389 5.4389 5.4722 5.4722 5.8131 5.8131 6.3627 6.3627 7.8551 7.8551 8.0309 8.0309 10.1200 10.1200 11.1737 11.1737 12.2363 12.2363 12.9166 12.9166 14.2452 14.2452 15.7419 15.7419 16.9117 16.9117 k = 0.2678 0.2956-0.0000 ( 2849 PWs) bands (ev): -0.8398 -0.8398 0.9426 0.9426 3.4301 3.4301 3.4408 3.4408 3.5385 3.5385 3.9241 3.9241 4.5852 4.5852 4.8310 4.8310 5.2299 5.2299 5.4427 5.4427 5.4780 5.4780 5.8138 5.8138 6.3485 6.3485 7.8487 7.8487 8.0946 8.0946 10.0520 10.0520 11.1394 11.1394 12.1810 12.1810 12.6852 12.6852 14.1881 14.1881 15.7638 15.7638 17.0545 17.0545 k = 0.2767 0.3054-0.0000 ( 2853 PWs) bands (ev): -0.7974 -0.7974 0.9243 0.9243 3.4384 3.4384 3.4465 3.4465 3.5359 3.5359 3.9239 3.9239 4.5708 4.5708 4.8383 4.8383 5.2195 5.2195 5.4439 5.4439 5.4874 5.4874 5.8152 5.8152 6.3359 6.3359 7.8444 7.8444 8.1572 8.1572 9.9803 9.9803 11.1039 11.1039 12.1258 12.1258 12.4573 12.4573 14.1344 14.1344 15.7263 15.7263 17.1851 17.1851 k = 0.2856 0.3153-0.0000 ( 2855 PWs) bands (ev): -0.7565 -0.7565 0.9041 0.9041 3.4421 3.4421 3.4609 3.4609 3.5341 3.5341 3.9246 3.9246 4.5567 4.5567 4.8504 4.8504 5.2105 5.2105 5.4436 5.4436 5.4993 5.4993 5.8174 5.8174 6.3249 6.3249 7.8424 7.8424 8.2183 8.2183 9.9045 9.9045 11.0675 11.0675 12.0699 12.0699 12.2355 12.2355 14.0844 14.0844 15.6342 15.6342 17.3129 17.3129 k = 0.2946 0.3251-0.0000 ( 2847 PWs) bands (ev): -0.7174 -0.7174 0.8822 0.8822 3.4453 3.4453 3.4797 3.4797 3.5332 3.5332 3.9262 3.9262 4.5435 4.5435 4.8663 4.8663 5.2028 5.2028 5.4426 5.4426 5.5129 5.5129 5.8203 5.8203 6.3151 6.3151 7.8430 7.8430 8.2778 8.2778 9.8240 9.8240 11.0304 11.0304 11.9900 11.9900 12.0445 12.0445 14.0384 14.0384 15.4991 15.4991 17.4400 17.4400 k = 0.3035 0.3350-0.0000 ( 2843 PWs) bands (ev): -0.6802 -0.6802 0.8588 0.8588 3.4488 3.4488 3.5018 3.5018 3.5338 3.5338 3.9287 3.9287 4.5316 4.5316 4.8853 4.8853 5.1964 5.1964 5.4414 5.4414 5.5278 5.5278 5.8239 5.8239 6.3066 6.3066 7.8465 7.8465 8.3355 8.3355 9.7382 9.7382 10.9929 10.9929 11.7978 11.7978 11.9743 11.9743 13.9963 13.9963 15.3335 15.3335 17.5647 17.5647 k = 0.3124 0.3448-0.0000 ( 2847 PWs) bands (ev): -0.6451 -0.6451 0.8343 0.8343 3.4526 3.4526 3.5221 3.5221 3.5407 3.5407 3.9320 3.9320 4.5213 4.5213 4.9065 4.9065 5.1914 5.1914 5.4401 5.4401 5.5437 5.5437 5.8282 5.8282 6.2991 6.2991 7.8534 7.8534 8.3911 8.3911 9.6462 9.6462 10.9550 10.9550 11.5975 11.5975 11.9219 11.9219 13.9581 13.9581 15.1480 15.1480 17.6856 17.6856 k = 0.3213 0.3547-0.0000 ( 2851 PWs) bands (ev): -0.6122 -0.6122 0.8089 0.8089 3.4564 3.4564 3.5286 3.5286 3.5661 3.5661 3.9361 3.9361 4.5129 4.5129 4.9293 4.9293 5.1880 5.1880 5.4389 5.4389 5.5604 5.5604 5.8333 5.8333 6.2925 6.2925 7.8639 7.8639 8.4445 8.4445 9.5470 9.5470 10.9168 10.9168 11.4061 11.4061 11.8721 11.8721 13.9236 13.9236 14.9504 14.9504 17.8023 17.8023 k = 0.3303 0.3645-0.0000 ( 2847 PWs) bands (ev): -0.5816 -0.5816 0.7829 0.7829 3.4601 3.4601 3.5308 3.5308 3.6004 3.6004 3.9410 3.9410 4.5066 4.5066 4.9531 4.9531 5.1861 5.1861 5.4376 5.4376 5.5778 5.5778 5.8391 5.8391 6.2869 6.2869 7.8786 7.8786 8.4955 8.4955 9.4398 9.4398 10.8782 10.8782 11.2260 11.2260 11.8242 11.8242 13.8919 13.8919 14.7469 14.7469 17.9147 17.9147 k = 0.3392 0.3744-0.0000 ( 2847 PWs) bands (ev): -0.5534 -0.5534 0.7566 0.7566 3.4637 3.4637 3.5327 3.5327 3.6392 3.6392 3.9468 3.9468 4.5025 4.5025 4.9772 4.9772 5.1861 5.1861 5.4366 5.4366 5.5957 5.5957 5.8457 5.8457 6.2821 6.2821 7.8978 7.8978 8.5439 8.5439 9.3237 9.3237 10.8394 10.8394 11.0586 11.0586 11.7780 11.7780 13.8616 13.8616 14.5429 14.5429 18.0223 18.0223 k = 0.3481 0.3842-0.0000 ( 2843 PWs) bands (ev): -0.5276 -0.5276 0.7303 0.7303 3.4671 3.4671 3.5348 3.5348 3.6814 3.6814 3.9534 3.9534 4.5008 4.5008 5.0011 5.0011 5.1880 5.1880 5.4357 5.4357 5.6138 5.6138 5.8531 5.8531 6.2780 6.2780 7.9219 7.9219 8.5894 8.5894 9.1982 9.1982 10.8000 10.8000 10.9054 10.9054 11.7336 11.7336 13.8289 13.8289 14.3449 14.3449 18.1229 18.1229 k = 0.3570 0.3941-0.0000 ( 2837 PWs) bands (ev): -0.5043 -0.5043 0.7042 0.7042 3.4702 3.4702 3.5371 3.5371 3.7261 3.7261 3.9611 3.9611 4.5017 4.5017 5.0242 5.0242 5.1923 5.1923 5.4350 5.4350 5.6318 5.6318 5.8613 5.8613 6.2746 6.2746 7.9514 7.9514 8.6317 8.6317 9.0636 9.0636 10.7546 10.7546 10.7719 10.7719 11.6911 11.6911 13.7839 13.7839 14.1648 14.1648 18.2088 18.2088 k = 0.3660 0.4039-0.0000 ( 2841 PWs) bands (ev): -0.4833 -0.4833 0.6785 0.6785 3.4730 3.4730 3.5395 3.5395 3.7722 3.7722 3.9701 3.9701 4.5057 4.5057 5.0463 5.0463 5.1991 5.1991 5.4348 5.4348 5.6496 5.6496 5.8701 5.8701 6.2719 6.2719 7.9865 7.9865 8.6690 8.6690 8.9218 8.9218 10.6399 10.6399 10.7217 10.7217 11.6506 11.6506 13.7036 13.7036 14.0274 14.0274 18.2560 18.2560 k = 0.3749 0.4138-0.0000 ( 2845 PWs) bands (ev): -0.4645 -0.4645 0.6535 0.6535 3.4755 3.4755 3.5421 3.5421 3.8179 3.8179 3.9808 3.9808 4.5130 4.5130 5.0670 5.0670 5.2089 5.2089 5.4351 5.4351 5.6668 5.6668 5.8796 5.8796 6.2698 6.2698 8.0276 8.0276 8.6865 8.6865 8.7884 8.7884 10.5295 10.5295 10.6802 10.6802 11.6121 11.6121 13.5693 13.5693 13.9525 13.9525 18.2282 18.2282 k = 0.3838 0.4236-0.0000 ( 2845 PWs) bands (ev): -0.4480 -0.4480 0.6295 0.6295 3.4778 3.4778 3.5448 3.5448 3.8611 3.8611 3.9941 3.9941 4.5240 4.5240 5.0860 5.0860 5.2220 5.2220 5.4364 5.4364 5.6833 5.6833 5.8895 5.8895 6.2682 6.2682 8.0747 8.0747 8.5843 8.5843 8.7644 8.7644 10.4321 10.4321 10.6377 10.6377 11.5758 11.5758 13.4018 13.4018 13.9207 13.9207 18.1450 18.1450 k = 0.3927 0.4335-0.0000 ( 2847 PWs) bands (ev): -0.4335 -0.4335 0.6065 0.6065 3.4798 3.4798 3.5474 3.5474 3.8988 3.8988 4.0113 4.0113 4.5392 4.5392 5.1033 5.1033 5.2385 5.2385 5.4392 5.4392 5.6989 5.6989 5.8996 5.8996 6.2671 6.2671 8.1280 8.1280 8.4234 8.4234 8.7906 8.7906 10.3467 10.3467 10.5937 10.5937 11.5416 11.5416 13.2251 13.2251 13.9088 13.9088 18.0443 18.0443 k = 0.4017 0.4433-0.0000 ( 2855 PWs) bands (ev): -0.4209 -0.4209 0.5848 0.5848 3.4816 3.4816 3.5499 3.5499 3.9287 3.9287 4.0331 4.0331 4.5587 4.5587 5.1190 5.1190 5.2583 5.2583 5.4445 5.4445 5.7137 5.7137 5.9098 5.9098 6.2664 6.2664 8.1869 8.1869 8.2533 8.2533 8.8189 8.8189 10.2722 10.2722 10.5478 10.5478 11.5098 11.5098 13.0501 13.0501 13.9069 13.9069 17.9411 17.9411 k = 0.4106 0.4532-0.0000 ( 2859 PWs) bands (ev): -0.4101 -0.4101 0.5644 0.5644 3.4833 3.4833 3.5523 3.5523 3.9506 3.9506 4.0581 4.0581 4.5821 4.5821 5.1331 5.1331 5.2806 5.2806 5.4541 5.4541 5.7277 5.7277 5.9198 5.9198 6.2660 6.2660 8.0784 8.0784 8.2520 8.2520 8.8460 8.8460 10.2074 10.2074 10.4994 10.4994 11.4803 11.4803 12.8818 12.8818 13.9109 13.9109 17.8408 17.8408 k = 0.4195 0.4630-0.0000 ( 2859 PWs) bands (ev): -0.4009 -0.4009 0.5456 0.5456 3.4848 3.4848 3.5545 3.5545 3.9666 3.9666 4.0833 4.0833 4.6087 4.6087 5.1458 5.1458 5.3036 5.3036 5.4708 5.4708 5.7413 5.7413 5.9294 5.9294 6.2658 6.2658 7.9019 7.9019 8.3213 8.3213 8.8713 8.8713 10.1512 10.1512 10.4484 10.4484 11.4533 11.4533 12.7234 12.7234 13.9187 13.9187 17.7457 17.7457 k = 0.4284 0.4729-0.0000 ( 2853 PWs) bands (ev): -0.3932 -0.3932 0.5285 0.5285 3.4861 3.4861 3.5565 3.5565 3.9788 3.9788 4.1062 4.1062 4.6370 4.6370 5.1571 5.1571 5.3242 5.3242 5.4981 5.4981 5.7552 5.7552 5.9386 5.9386 6.2659 6.2659 7.7249 7.7249 8.3944 8.3944 8.8949 8.8949 10.1029 10.1029 10.3944 10.3944 11.4288 11.4288 12.5769 12.5769 13.9290 13.9290 17.6573 17.6573 k = 0.4374 0.4827-0.0000 ( 2861 PWs) bands (ev): -0.3867 -0.3867 0.5131 0.5131 3.4872 3.4872 3.5583 3.5583 3.9887 3.9887 4.1253 4.1253 4.6652 4.6652 5.1669 5.1669 5.3399 5.3399 5.5383 5.5383 5.7707 5.7707 5.9473 5.9473 6.2660 6.2660 7.5486 7.5486 8.4694 8.4694 8.9173 8.9173 10.0616 10.0616 10.3375 10.3375 11.4068 11.4068 12.4442 12.4442 13.9408 13.9408 17.5767 17.5767 k = 0.4463 0.4926-0.0000 ( 2867 PWs) bands (ev): -0.3815 -0.3815 0.4996 0.4996 3.4883 3.4883 3.5598 3.5598 3.9970 3.9970 4.1405 4.1405 4.6917 4.6917 5.1755 5.1755 5.3505 5.3505 5.5888 5.5888 5.7907 5.7907 5.9560 5.9560 6.2661 6.2661 7.3743 7.3743 8.5443 8.5443 8.9390 8.9390 10.0267 10.0267 10.2782 10.2782 11.3875 11.3875 12.3268 12.3268 13.9531 13.9531 17.5048 17.5048 k = 0.4552 0.5024-0.0000 ( 2861 PWs) bands (ev): -0.3773 -0.3773 0.4881 0.4881 3.4891 3.4891 3.5612 3.5612 4.0039 4.0039 4.1521 4.1521 4.7151 4.7151 5.1826 5.1826 5.3570 5.3570 5.6415 5.6415 5.8209 5.8209 5.9658 5.9658 6.2663 6.2663 7.2032 7.2032 8.6158 8.6158 8.9608 8.9608 9.9977 9.9977 10.2178 10.2178 11.3709 11.3709 12.2261 12.2261 13.9651 13.9651 17.4425 17.4425 k = 0.4552 0.5024-0.0000 ( 2861 PWs) bands (ev): -0.3773 -0.3773 0.4881 0.4881 3.4891 3.4891 3.5612 3.5612 4.0039 4.0039 4.1521 4.1521 4.7151 4.7151 5.1826 5.1826 5.3570 5.3570 5.6415 5.6415 5.8209 5.8209 5.9658 5.9658 6.2663 6.2663 7.2032 7.2032 8.6158 8.6158 8.9608 8.9608 9.9977 9.9977 10.2178 10.2178 11.3709 11.3709 12.2261 12.2261 13.9651 13.9651 17.4425 17.4425 k = 0.4422 0.5024-0.0000 ( 2860 PWs) bands (ev): -0.3802 -0.3802 0.4952 0.4952 3.4885 3.4885 3.5603 3.5603 3.9967 3.9967 4.1465 4.1465 4.7001 4.7001 5.1779 5.1779 5.3528 5.3528 5.6068 5.6068 5.7982 5.7982 5.9604 5.9604 6.2680 6.2680 7.3163 7.3163 8.5700 8.5700 8.9469 8.9469 10.0098 10.0098 10.2678 10.2678 11.3765 11.3765 12.2921 12.2921 13.9634 13.9634 17.4828 17.4828 k = 0.4292 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.3841 -0.3841 0.5027 0.5027 3.4875 3.4875 3.5592 3.5592 3.9840 3.9840 4.1419 4.1419 4.6839 4.6839 5.1722 5.1722 5.3463 5.3463 5.5713 5.5713 5.7781 5.7781 5.9578 5.9578 6.2730 6.2730 7.4332 7.4332 8.5239 8.5239 8.9350 8.9350 10.0120 10.0120 10.3372 10.3372 11.3732 11.3732 12.3686 12.3686 13.9738 13.9738 17.5284 17.5284 k = 0.4162 0.5024-0.0000 ( 2853 PWs) bands (ev): -0.3888 -0.3888 0.5105 0.5105 3.4863 3.4863 3.5579 3.5579 3.9671 3.9671 4.1365 4.1365 4.6674 4.6674 5.1654 5.1654 5.3372 5.3372 5.5390 5.5390 5.7588 5.7588 5.9568 5.9568 6.2801 6.2801 7.5537 7.5537 8.4793 8.4793 8.9257 8.9257 10.0073 10.0073 10.4217 10.4217 11.3615 11.3615 12.4547 12.4547 13.9960 13.9960 17.5790 17.5790 k = 0.4032 0.5024-0.0000 ( 2857 PWs) bands (ev): -0.3944 -0.3944 0.5183 0.5183 3.4847 3.4847 3.5564 3.5564 3.9472 3.9472 4.1290 4.1290 4.6515 4.6515 5.1577 5.1577 5.3251 5.3251 5.5120 5.5120 5.7395 5.7395 5.9567 5.9567 6.2886 6.2886 7.6772 7.6772 8.4378 8.4378 8.9192 8.9192 9.9988 9.9988 10.5172 10.5172 11.3421 11.3421 12.5498 12.5498 14.0296 14.0296 17.6342 17.6342 k = 0.3902 0.5024-0.0000 ( 2855 PWs) bands (ev): -0.4006 -0.4006 0.5263 0.5263 3.4829 3.4829 3.5546 3.5546 3.9253 3.9253 4.1180 4.1180 4.6370 4.6370 5.1490 5.1490 5.3105 5.3105 5.4909 5.4909 5.7200 5.7200 5.9568 5.9568 6.2974 6.2974 7.8035 7.8035 8.4011 8.4011 8.9154 8.9154 9.9887 9.9887 10.6206 10.6206 11.3162 11.3162 12.6531 12.6531 14.0741 14.0741 17.6939 17.6939 k = 0.3772 0.5024-0.0000 ( 2857 PWs) bands (ev): -0.4074 -0.4074 0.5342 0.5342 3.4809 3.4809 3.5525 3.5525 3.9020 3.9020 4.1030 4.1030 4.6246 4.6246 5.1394 5.1394 5.2940 5.2940 5.4753 5.4753 5.7003 5.7003 5.9568 5.9568 6.3054 6.3054 7.9320 7.9320 8.3710 8.3710 8.9142 8.9142 9.9787 9.9787 10.7288 10.7288 11.2860 11.2860 12.7638 12.7638 14.1286 14.1286 17.7571 17.7571 k = 0.3642 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.4147 -0.4147 0.5419 0.5419 3.4785 3.4785 3.5501 3.5501 3.8779 3.8779 4.0839 4.0839 4.6144 4.6144 5.1289 5.1289 5.2768 5.2768 5.4639 5.4639 5.6806 5.6806 5.9563 5.9563 6.3118 6.3118 8.0618 8.0618 8.3490 8.3490 8.9153 8.9153 9.9699 9.9699 10.8373 10.8373 11.2559 11.2559 12.8814 12.8814 14.1924 14.1924 17.8222 17.8222 k = 0.3512 0.5024-0.0000 ( 2855 PWs) bands (ev): -0.4224 -0.4224 0.5495 0.5495 3.4759 3.4759 3.5473 3.5473 3.8533 3.8533 4.0611 4.0611 4.6066 4.6066 5.1177 5.1177 5.2598 5.2598 5.4556 5.4556 5.6613 5.6613 5.9551 5.9551 6.3159 6.3159 8.1897 8.1897 8.3389 8.3389 8.9187 8.9187 9.9634 9.9634 10.9348 10.9348 11.2369 11.2369 13.0052 13.0052 14.2645 14.2645 17.8839 17.8839 k = 0.3382 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.4305 -0.4305 0.5567 0.5567 3.4729 3.4729 3.5441 3.5441 3.8286 3.8286 4.0353 4.0353 4.6008 4.6008 5.1061 5.1061 5.2436 5.2436 5.4494 5.4494 5.6423 5.6423 5.9532 5.9532 6.3168 6.3168 8.2891 8.2891 8.3677 8.3677 8.9241 8.9241 9.9601 9.9601 10.9932 10.9932 11.2579 11.2579 13.1347 13.1347 14.3442 14.3442 17.9176 17.9176 k = 0.3252 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.4389 -0.4389 0.5637 0.5637 3.4697 3.4697 3.5406 3.5406 3.8040 3.8040 4.0072 4.0072 4.5966 4.5966 5.0943 5.0943 5.2286 5.2286 5.4446 5.4446 5.6238 5.6238 5.9503 5.9503 6.3144 6.3144 8.3144 8.3144 8.4804 8.4804 8.9314 8.9314 9.9611 9.9611 10.9915 10.9915 11.3399 11.3399 13.2694 13.2694 14.4306 14.4306 17.8395 17.8395 k = 0.3122 0.5024-0.0000 ( 2854 PWs) bands (ev): -0.4475 -0.4475 0.5702 0.5702 3.4661 3.4661 3.5366 3.5366 3.7796 3.7796 3.9777 3.9777 4.5935 4.5935 5.0826 5.0826 5.2150 5.2150 5.4407 5.4407 5.6059 5.6059 5.9464 5.9464 6.3083 6.3083 8.3303 8.3303 8.6116 8.6116 8.9406 8.9406 9.9675 9.9675 10.9546 10.9546 11.4583 11.4583 13.4086 13.4086 14.5230 14.5230 17.6659 17.6659 k = 0.2991 0.5024-0.0000 ( 2852 PWs) bands (ev): -0.4562 -0.4562 0.5763 0.5763 3.4622 3.4622 3.5321 3.5321 3.7555 3.7555 3.9477 3.9477 4.5909 4.5909 5.0711 5.0711 5.2028 5.2028 5.4375 5.4375 5.5887 5.5887 5.9415 5.9415 6.2987 6.2987 8.3525 8.3525 8.7440 8.7440 8.9517 8.9517 9.9807 9.9807 10.9040 10.9040 11.5921 11.5921 13.5520 13.5520 14.6208 14.6208 17.4666 17.4666 k = 0.2861 0.5024-0.0000 ( 2853 PWs) bands (ev): -0.4650 -0.4650 0.5819 0.5819 3.4579 3.4579 3.5273 3.5273 3.7319 3.7319 3.9180 3.9180 4.5885 4.5885 5.0600 5.0600 5.1920 5.1920 5.4345 5.4345 5.5722 5.5722 5.9353 5.9353 6.2859 6.2859 8.3823 8.3823 8.8729 8.8729 8.9663 8.9663 10.0023 10.0023 10.8472 10.8472 11.7339 11.7339 13.6990 13.6990 14.7233 14.7233 17.2593 17.2593 k = 0.2731 0.5024-0.0000 ( 2852 PWs) bands (ev): -0.4738 -0.4738 0.5870 0.5870 3.4532 3.4532 3.5220 3.5220 3.7088 3.7088 3.8892 3.8892 4.5860 4.5860 5.0492 5.0492 5.1826 5.1826 5.4318 5.4318 5.5565 5.5565 5.9278 5.9278 6.2703 6.2703 8.4190 8.4190 8.9642 8.9642 9.0165 9.0165 10.0342 10.0342 10.7873 10.7873 11.8808 11.8808 13.8490 13.8490 14.8299 14.8299 17.0490 17.0490 k = 0.2601 0.5024-0.0000 ( 2848 PWs) bands (ev): -0.4825 -0.4825 0.5917 0.5917 3.4481 3.4481 3.5164 3.5164 3.6862 3.6862 3.8620 3.8620 4.5830 4.5830 5.0388 5.0388 5.1748 5.1748 5.4292 5.4292 5.5416 5.5416 5.9190 5.9190 6.2527 6.2527 8.4618 8.4618 8.9857 8.9857 9.1324 9.1324 10.0786 10.0786 10.7260 10.7260 12.0312 12.0312 14.0013 14.0013 14.9400 14.9400 16.8385 16.8385 k = 0.2471 0.5024-0.0000 ( 2854 PWs) bands (ev): -0.4912 -0.4912 0.5957 0.5957 3.4426 3.4426 3.5105 3.5105 3.6641 3.6641 3.8367 3.8367 4.5796 4.5796 5.0286 5.0286 5.1687 5.1687 5.4266 5.4266 5.5275 5.5275 5.9086 5.9086 6.2337 6.2337 8.5093 8.5093 9.0023 9.0023 9.2474 9.2474 10.1375 10.1375 10.6642 10.6642 12.1843 12.1843 14.1549 14.1549 15.0527 15.0527 16.6300 16.6300 k = 0.2341 0.5024-0.0000 ( 2857 PWs) bands (ev): -0.4997 -0.4997 0.5993 0.5993 3.4366 3.4366 3.5044 3.5044 3.6425 3.6425 3.8136 3.8136 4.5757 4.5757 5.0182 5.0182 5.1644 5.1644 5.4239 5.4239 5.5144 5.5144 5.8966 5.8966 6.2141 6.2141 8.5600 8.5600 9.0190 9.0190 9.3551 9.3551 10.2122 10.2122 10.6032 10.6032 12.3390 12.3390 14.3087 14.3087 15.1671 15.1671 16.4262 16.4262 k = 0.2211 0.5024-0.0000 ( 2854 PWs) bands (ev): -0.5080 -0.5080 0.6024 0.6024 3.4302 3.4302 3.4981 3.4981 3.6215 3.6215 3.7929 3.7929 4.5714 4.5714 5.0075 5.0075 5.1620 5.1620 5.4211 5.4211 5.5021 5.5021 5.8829 5.8829 6.1945 6.1945 8.6124 8.6124 9.0364 9.0364 9.4549 9.4549 10.3019 10.3019 10.5449 10.5449 12.4945 12.4945 14.4605 14.4605 15.2813 15.2813 16.2309 16.2309 k = 0.2081 0.5024-0.0000 ( 2857 PWs) bands (ev): -0.5161 -0.5161 0.6049 0.6049 3.4235 3.4235 3.4917 3.4917 3.6011 3.6011 3.7747 3.7747 4.5667 4.5667 4.9963 4.9963 5.1616 5.1616 5.4182 5.4182 5.4907 5.4907 5.8677 5.8677 6.1755 6.1755 8.6649 8.6649 9.0545 9.0545 9.5478 9.5478 10.3939 10.3939 10.5020 10.5020 12.6499 12.6499 14.6070 14.6070 15.3913 15.3913 16.0514 16.0514 k = 0.1951 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.5239 -0.5239 0.6071 0.6071 3.4166 3.4166 3.4853 3.4853 3.5815 3.5815 3.7588 3.7588 4.5618 4.5618 4.9844 4.9844 5.1631 5.1631 5.4150 5.4150 5.4804 5.4804 5.8509 5.8509 6.1575 6.1575 8.7159 8.7159 9.0732 9.0732 9.6359 9.6359 10.3999 10.3999 10.5612 10.5612 12.8037 12.8037 14.7411 14.7411 15.4851 15.4851 15.9062 15.9062 k = 0.1821 0.5024-0.0000 ( 2859 PWs) bands (ev): -0.5313 -0.5313 0.6087 0.6087 3.4095 3.4095 3.4787 3.4787 3.5630 3.5630 3.7452 3.7452 4.5568 4.5568 4.9718 4.9718 5.1663 5.1663 5.4117 5.4117 5.4710 5.4710 5.8327 5.8327 6.1410 6.1410 8.7643 8.7643 9.0925 9.0925 9.7214 9.7214 10.3514 10.3514 10.6897 10.6897 12.9543 12.9543 14.8482 14.8482 15.5295 15.5295 15.8427 15.8427 k = 0.1691 0.5024-0.0000 ( 2857 PWs) bands (ev): -0.5384 -0.5384 0.6100 0.6100 3.4025 3.4025 3.4719 3.4719 3.5459 3.5459 3.7335 3.7335 4.5520 4.5520 4.9586 4.9586 5.1712 5.1712 5.4082 5.4082 5.4627 5.4627 5.8135 5.8135 6.1260 6.1260 8.8089 8.8089 9.1123 9.1123 9.8055 9.8055 10.3006 10.3006 10.8338 10.8338 13.0994 13.0994 14.8995 14.8995 15.5232 15.5232 15.8893 15.8893 k = 0.1561 0.5024-0.0000 ( 2853 PWs) bands (ev): -0.5451 -0.5451 0.6110 0.6110 3.3956 3.3956 3.4646 3.4646 3.5304 3.5304 3.7236 3.7236 4.5474 4.5474 4.9449 4.9449 5.1774 5.1774 5.4045 5.4045 5.4553 5.4553 5.7936 5.7936 6.1126 6.1126 8.8491 8.8491 9.1327 9.1327 9.8873 9.8873 10.2548 10.2548 10.9868 10.9868 13.2357 13.2357 14.8699 14.8699 15.5479 15.5479 15.9870 15.9870 k = 0.1431 0.5024-0.0000 ( 2851 PWs) bands (ev): -0.5514 -0.5514 0.6116 0.6116 3.3891 3.3891 3.4567 3.4567 3.5169 3.5169 3.7152 3.7152 4.5433 4.5433 4.9308 4.9308 5.1847 5.1847 5.4007 5.4007 5.4489 5.4489 5.7734 5.7734 6.1007 6.1007 8.8846 8.8846 9.1535 9.1535 9.9603 9.9603 10.2227 10.2227 11.1458 11.1458 13.3587 13.3587 14.7787 14.7787 15.6173 15.6173 16.0981 16.0981 k = 0.1301 0.5024-0.0000 ( 2852 PWs) bands (ev): -0.5573 -0.5573 0.6120 0.6120 3.3831 3.3831 3.4480 3.4480 3.5056 3.5056 3.7082 3.7082 4.5397 4.5397 4.9165 4.9165 5.1927 5.1927 5.3970 5.3970 5.4434 5.4434 5.7532 5.7532 6.0903 6.0903 8.9153 8.9153 9.1749 9.1749 10.0047 10.0047 10.2243 10.2243 11.3087 11.3087 13.4617 13.4617 14.6646 14.6646 15.6971 15.6971 16.2106 16.2106 k = 0.1171 0.5024-0.0000 ( 2850 PWs) bands (ev): -0.5626 -0.5626 0.6121 0.6121 3.3776 3.3776 3.4387 3.4387 3.4965 3.4965 3.7023 3.7023 4.5366 4.5366 4.9023 4.9023 5.2013 5.2013 5.3934 5.3934 5.4387 5.4387 5.7335 5.7335 6.0812 6.0812 8.9414 8.9414 9.1968 9.1968 10.0036 10.0036 10.2763 10.2763 11.4738 11.4738 13.5362 13.5362 14.5531 14.5531 15.7564 15.7564 16.3209 16.3209 k = 0.1041 0.5024-0.0000 ( 2849 PWs) bands (ev): -0.5675 -0.5675 0.6121 0.6121 3.3729 3.3729 3.4290 3.4290 3.4894 3.4894 3.6973 3.6973 4.5342 4.5342 4.8885 4.8885 5.2100 5.2100 5.3901 5.3901 5.4346 5.4346 5.7146 5.7146 6.0733 6.0733 8.9632 8.9632 9.2189 9.2189 9.9760 9.9760 10.3589 10.3589 11.6394 11.6394 13.5733 13.5733 14.4578 14.4578 15.7800 15.7800 16.4319 16.4319 k = 0.0910 0.5024-0.0000 ( 2851 PWs) bands (ev): -0.5718 -0.5718 0.6120 0.6120 3.3689 3.3689 3.4193 3.4193 3.4838 3.4838 3.6933 3.6933 4.5323 4.5323 4.8752 4.8752 5.2187 5.2187 5.3872 5.3872 5.4310 5.4310 5.6968 5.6968 6.0666 6.0666 8.9813 8.9813 9.2411 9.2411 9.9402 9.9402 10.4523 10.4523 11.8033 11.8033 13.5690 13.5690 14.3818 14.3818 15.7759 15.7759 16.5489 16.5489 k = 0.0780 0.5024-0.0000 ( 2851 PWs) bands (ev): -0.5756 -0.5756 0.6118 0.6118 3.3657 3.3657 3.4100 3.4100 3.4795 3.4795 3.6899 3.6899 4.5310 4.5310 4.8628 4.8628 5.2270 5.2270 5.3849 5.3849 5.4279 5.4279 5.6805 5.6805 6.0610 6.0610 8.9959 8.9959 9.2631 9.2631 9.9033 9.9033 10.5477 10.5477 11.9630 11.9630 13.5295 13.5295 14.3176 14.3176 15.7665 15.7665 16.6713 16.6713 k = 0.0650 0.5024-0.0000 ( 2855 PWs) bands (ev): -0.5788 -0.5788 0.6115 0.6115 3.3634 3.3634 3.4014 3.4014 3.4762 3.4762 3.6872 3.6872 4.5303 4.5303 4.8516 4.8516 5.2345 5.2345 5.3831 5.3831 5.4252 5.4252 5.6660 5.6660 6.0563 6.0563 9.0075 9.0075 9.2842 9.2842 9.8681 9.8681 10.6400 10.6400 12.1148 12.1148 13.4699 13.4699 14.2523 14.2523 15.7700 15.7700 16.7924 16.7924 k = 0.0520 0.5024-0.0000 ( 2856 PWs) bands (ev): -0.5815 -0.5815 0.6112 0.6112 3.3620 3.3620 3.3936 3.3936 3.4736 3.4736 3.6851 3.6851 4.5299 4.5299 4.8419 4.8419 5.2412 5.2412 5.3820 5.3820 5.4228 5.4228 5.6536 5.6536 6.0525 6.0525 9.0166 9.0166 9.3039 9.3039 9.8365 9.8365 10.7248 10.7248 12.2536 12.2536 13.4066 13.4066 14.1784 14.1784 15.7921 15.7921 16.9015 16.9015 k = 0.0390 0.5024-0.0000 ( 2860 PWs) bands (ev): -0.5836 -0.5836 0.6110 0.6110 3.3614 3.3614 3.3870 3.3870 3.4717 3.4717 3.6835 3.6835 4.5298 4.5298 4.8340 4.8340 5.2466 5.2466 5.3814 5.3814 5.4208 5.4208 5.6435 5.6435 6.0496 6.0496 9.0233 9.0233 9.3211 9.3211 9.8096 9.8096 10.7977 10.7977 12.3727 12.3727 13.3532 13.3532 14.0979 14.0979 15.8284 15.8284 16.9860 16.9860 k = 0.0260 0.5024-0.0000 ( 2862 PWs) bands (ev): -0.5851 -0.5851 0.6108 0.6108 3.3615 3.3615 3.3816 3.3816 3.4704 3.4704 3.6824 3.6824 4.5298 4.5298 4.8282 4.8282 5.2506 5.2506 5.3812 5.3812 5.4193 5.4193 5.6361 5.6361 6.0476 6.0476 9.0279 9.0279 9.3346 9.3346 9.7891 9.7891 10.8543 10.8543 12.4637 12.4637 13.3186 13.3186 14.0207 14.0207 15.8682 15.8682 17.0366 17.0366 k = 0.0130 0.5024-0.0000 ( 2862 PWs) bands (ev): -0.5860 -0.5860 0.6107 0.6107 3.3619 3.3619 3.3780 3.3780 3.4697 3.4697 3.6817 3.6817 4.5298 4.5298 4.8246 4.8246 5.2530 5.2530 5.3812 5.3812 5.4183 5.4183 5.6316 5.6316 6.0464 6.0464 9.0306 9.0306 9.3434 9.3434 9.7760 9.7760 10.8903 10.8903 12.5201 12.5201 13.3032 13.3032 13.9628 13.9628 15.8989 15.8989 17.0579 17.0579 k = 0.0000 0.5024-0.0000 ( 2862 PWs) bands (ev): -0.5863 -0.5863 0.6107 0.6107 3.3622 3.3622 3.3767 3.3767 3.4694 3.4694 3.6815 3.6815 4.5299 4.5299 4.8234 4.8234 5.2539 5.2539 5.3812 5.3812 5.4180 5.4180 5.6300 5.6300 6.0460 6.0460 9.0315 9.0315 9.3465 9.3465 9.7715 9.7715 10.9027 10.9027 12.5390 12.5390 13.2998 13.2998 13.9409 13.9409 15.9106 15.9106 17.0629 17.0629 k = 0.0000 0.5024-0.0000 ( 2862 PWs) bands (ev): -0.5863 -0.5863 0.6107 0.6107 3.3622 3.3622 3.3767 3.3767 3.4694 3.4694 3.6815 3.6815 4.5299 4.5299 4.8234 4.8234 5.2539 5.2539 5.3812 5.3812 5.4180 5.4180 5.6300 5.6300 6.0460 6.0460 9.0315 9.0315 9.3465 9.3465 9.7715 9.7715 10.9027 10.9027 12.5390 12.5390 13.2998 13.2998 13.9409 13.9409 15.9106 15.9106 17.0629 17.0629 k = 0.0000 0.5024 0.0132 ( 2862 PWs) bands (ev): -0.5853 -0.5853 0.6111 0.6111 3.3615 3.3615 3.3770 3.3770 3.4686 3.4686 3.6816 3.6816 4.5246 4.5246 4.8252 4.8252 5.2528 5.2528 5.3739 5.3739 5.4247 5.4247 5.6354 5.6354 6.0463 6.0463 8.9929 8.9929 9.3434 9.3434 9.8117 9.8117 10.9086 10.9086 12.5391 12.5391 13.3034 13.3034 13.9437 13.9437 15.9044 15.9044 17.0029 17.0029 k = 0.0000 0.5024 0.0264 ( 2866 PWs) bands (ev): -0.5823 -0.5823 0.6123 0.6123 3.3596 3.3596 3.3779 3.3779 3.4663 3.4663 3.6817 3.6817 4.5095 4.5095 4.8301 4.8301 5.2498 5.2498 5.3606 5.3606 5.4365 5.4365 5.6507 5.6507 6.0475 6.0475 8.8928 8.8928 9.3402 9.3402 9.9097 9.9097 10.9268 10.9268 12.5394 12.5394 13.3144 13.3144 13.9523 13.9523 15.8862 15.8862 16.8836 16.8836 k = 0.0000 0.5024 0.0396 ( 2870 PWs) bands (ev): -0.5773 -0.5773 0.6142 0.6142 3.3566 3.3566 3.3791 3.3791 3.4624 3.4624 3.6819 3.6819 4.4867 4.4867 4.8367 4.8367 5.2447 5.2447 5.3484 5.3484 5.4470 5.4470 5.6746 5.6746 6.0498 6.0498 8.7585 8.7585 9.3415 9.3415 10.0320 10.0320 10.9594 10.9594 12.5395 12.5395 13.3327 13.3327 13.9666 13.9666 15.8568 15.8568 16.7473 16.7473 k = 0.0000 0.5024 0.0528 ( 2868 PWs) bands (ev): -0.5702 -0.5702 0.6168 0.6168 3.3527 3.3527 3.3803 3.3803 3.4573 3.4573 3.6822 3.6822 4.4584 4.4584 4.8436 4.8436 5.2378 5.2378 5.3391 5.3391 5.4551 5.4551 5.7042 5.7042 6.0537 6.0537 8.6080 8.6080 9.3473 9.3473 10.1577 10.1577 11.0092 11.0092 12.5390 12.5390 13.3587 13.3587 13.9868 13.9868 15.8175 15.8175 16.6045 16.6045 k = 0.0000 0.5024 0.0661 ( 2868 PWs) bands (ev): -0.5612 -0.5612 0.6200 0.6200 3.3475 3.3475 3.3812 3.3812 3.4513 3.4513 3.6824 3.6824 4.4270 4.4270 4.8496 4.8496 5.2299 5.2299 5.3332 5.3332 5.4611 5.4611 5.7363 5.7363 6.0599 6.0599 8.4505 8.4505 9.3572 9.3572 10.2749 10.2749 11.0798 11.0798 12.5374 12.5374 13.3925 13.3925 14.0131 14.0131 15.7698 15.7698 16.4593 16.4593 k = 0.0000 0.5024 0.0793 ( 2872 PWs) bands (ev): -0.5503 -0.5503 0.6236 0.6236 3.3409 3.3409 3.3819 3.3819 3.4448 3.4448 3.6827 3.6827 4.3941 4.3941 4.8540 4.8540 5.2217 5.2217 5.3302 5.3302 5.4654 5.4654 5.7677 5.7677 6.0696 6.0696 8.2906 8.2906 9.3711 9.3711 10.3765 10.3765 11.1736 11.1736 12.5341 12.5341 13.4341 13.4341 14.0455 14.0455 15.7151 15.7151 16.3141 16.3141 k = 0.0000 0.5024 0.0925 ( 2864 PWs) bands (ev): -0.5373 -0.5373 0.6275 0.6275 3.3323 3.3323 3.3822 3.3822 3.4384 3.4384 3.6830 3.6830 4.3615 4.3615 4.8563 4.8563 5.2139 5.2139 5.3294 5.3294 5.4686 5.4686 5.7955 5.7955 6.0836 6.0836 8.1309 8.1309 9.3893 9.3893 10.4605 10.4605 11.2898 11.2898 12.5288 12.5288 13.4834 13.4834 14.0844 14.0844 15.6547 15.6547 16.1709 16.1709 k = 0.0000 0.5024 0.1057 ( 2866 PWs) bands (ev): -0.5224 -0.5224 0.6315 0.6315 3.3212 3.3212 3.3820 3.3820 3.4329 3.4329 3.6833 3.6833 4.3301 4.3301 4.8562 4.8562 5.2070 5.2070 5.3304 5.3304 5.4710 5.4710 5.8173 5.8173 6.1024 6.1024 7.9733 7.9733 9.4124 9.4124 10.5287 10.5287 11.4246 11.4246 12.5210 12.5210 13.5404 13.5404 14.1298 14.1298 15.5895 15.5895 16.0317 16.0317 k = 0.0000 0.5024 0.1189 ( 2864 PWs) bands (ev): -0.5056 -0.5056 0.6352 0.6352 3.3075 3.3075 3.3816 3.3816 3.4286 3.4286 3.6834 3.6834 4.3009 4.3009 4.8537 4.8537 5.2012 5.2012 5.3328 5.3328 5.4728 5.4728 5.8323 5.8323 6.1259 6.1259 7.8190 7.8190 9.4409 9.4409 10.5848 10.5848 11.5722 11.5722 12.5106 12.5106 13.6046 13.6046 14.1819 14.1819 15.5196 15.5196 15.8990 15.8990 k = 0.0000 0.5024 0.1321 ( 2862 PWs) bands (ev): -0.4869 -0.4869 0.6386 0.6386 3.2912 3.2912 3.3809 3.3809 3.4259 3.4259 3.6836 3.6836 4.2743 4.2743 4.8486 4.8486 5.1967 5.1967 5.3363 5.3363 5.4741 5.4741 5.8405 5.8405 6.1525 6.1525 7.6688 7.6688 9.4752 9.4752 10.6327 10.6327 11.7265 11.7265 12.4980 12.4980 13.6755 13.6755 14.2406 14.2406 15.4447 15.4447 15.7762 15.7762 k = 0.0000 0.5024 0.1453 ( 2864 PWs) bands (ev): -0.4664 -0.4664 0.6413 0.6413 3.2729 3.2729 3.3802 3.3802 3.4244 3.4244 3.6837 3.6837 4.2505 4.2505 4.8409 4.8409 5.1934 5.1934 5.3407 5.3407 5.4750 5.4750 5.8430 5.8430 6.1806 6.1806 7.5238 7.5238 9.5158 9.5158 10.6756 10.6756 11.8818 11.8818 12.4839 12.4839 13.7525 13.7525 14.3052 14.3052 15.3645 15.3645 15.6669 15.6669 k = 0.0000 0.5024 0.1585 ( 2864 PWs) bands (ev): -0.4440 -0.4440 0.6429 0.6429 3.2534 3.2534 3.3796 3.3796 3.4240 3.4240 3.6837 3.6837 4.2297 4.2297 4.8306 4.8306 5.1913 5.1913 5.3459 5.3459 5.4755 5.4755 5.8407 5.8407 6.2081 6.2081 7.3846 7.3846 9.5631 9.5631 10.7155 10.7155 12.0314 12.0314 12.4710 12.4710 13.8351 13.8351 14.3741 14.3741 15.2805 15.2805 15.5739 15.5739 k = 0.0000 0.5024 0.1717 ( 2866 PWs) bands (ev): -0.4198 -0.4198 0.6433 0.6433 3.2334 3.2334 3.3791 3.3791 3.4245 3.4245 3.6837 3.6837 4.2117 4.2117 4.8176 4.8176 5.1904 5.1904 5.3516 5.3516 5.4757 5.4757 5.8346 5.8346 6.2336 6.2336 7.2522 7.2522 9.6174 9.6174 10.7539 10.7539 12.1637 12.1637 12.4669 12.4669 13.9226 13.9226 14.4434 14.4434 15.1989 15.1989 15.4977 15.4977 k = 0.0000 0.5024 0.1850 ( 2860 PWs) bands (ev): -0.3938 -0.3938 0.6421 0.6421 3.2139 3.2139 3.3789 3.3789 3.4255 3.4255 3.6835 3.6835 4.1962 4.1962 4.8018 4.8018 5.1905 5.1905 5.3578 5.3578 5.4755 5.4755 5.8254 5.8254 6.2560 6.2560 7.1274 7.1274 9.6789 9.6789 10.7919 10.7919 12.2533 12.2533 12.4936 12.4936 14.0145 14.0145 14.5050 14.5050 15.1317 15.1317 15.4372 15.4372 k = 0.0000 0.5024 0.1982 ( 2864 PWs) bands (ev): -0.3662 -0.3662 0.6389 0.6389 3.1959 3.1959 3.3789 3.3789 3.4270 3.4270 3.6832 3.6832 4.1831 4.1831 4.7831 4.7831 5.1917 5.1917 5.3642 5.3642 5.4751 5.4751 5.8136 5.8136 6.2746 6.2746 7.0110 7.0110 9.7476 9.7476 10.8302 10.8302 12.2785 12.2785 12.5690 12.5690 14.1098 14.1098 14.5455 14.5455 15.0966 15.0966 15.3915 15.3915 k = 0.0000 0.5024 0.2114 ( 2858 PWs) bands (ev): -0.3369 -0.3369 0.6335 0.6335 3.1801 3.1801 3.3790 3.3790 3.4288 3.4288 3.6827 3.6827 4.1721 4.1721 4.7614 4.7614 5.1939 5.1939 5.3707 5.3707 5.4744 5.4744 5.7994 5.7994 6.2888 6.2888 6.9037 6.9037 9.8234 9.8234 10.8693 10.8693 12.2639 12.2639 12.6647 12.6647 14.2071 14.2071 14.5538 14.5538 15.1068 15.1068 15.3627 15.3627 k = 0.0000 0.5024 0.2246 ( 2860 PWs) bands (ev): -0.3060 -0.3060 0.6257 0.6257 3.1672 3.1672 3.3793 3.3793 3.4309 3.4309 3.6818 3.6818 4.1629 4.1629 4.7366 4.7366 5.1969 5.1969 5.3769 5.3769 5.4736 5.4736 5.7832 5.7832 6.2985 6.2985 6.8064 6.8064 9.9060 9.9060 10.9095 10.9095 12.2331 12.2331 12.7525 12.7525 14.3018 14.3018 14.5395 14.5395 15.1492 15.1492 15.3617 15.3617 k = 0.0000 0.5024 0.2378 ( 2860 PWs) bands (ev): -0.2736 -0.2736 0.6151 0.6151 3.1579 3.1579 3.3796 3.3796 3.4332 3.4332 3.6805 3.6805 4.1553 4.1553 4.7086 4.7086 5.2007 5.2007 5.3826 5.3826 5.4729 5.4729 5.7654 5.7654 6.3035 6.3035 6.7197 6.7197 9.9952 9.9952 10.9510 10.9510 12.1941 12.1941 12.8199 12.8199 14.3763 14.3763 14.5384 14.5384 15.1850 15.1850 15.4112 15.4112 k = 0.0000 0.5024 0.2510 ( 2858 PWs) bands (ev): -0.2398 -0.2398 0.6017 0.6017 3.1525 3.1525 3.3799 3.3799 3.4358 3.4358 3.6785 3.6785 4.1492 4.1492 4.6776 4.6776 5.2053 5.2053 5.3872 5.3872 5.4725 5.4725 5.7462 5.7462 6.3043 6.3043 6.6439 6.6439 10.0904 10.0904 10.9943 10.9943 12.1500 12.1500 12.8600 12.8600 14.4013 14.4013 14.5953 14.5953 15.1978 15.1978 15.5126 15.5126 k = 0.0000 0.5024 0.2642 ( 2854 PWs) bands (ev): -0.2046 -0.2046 0.5854 0.5854 3.1514 3.1514 3.3800 3.3800 3.4387 3.4387 3.6757 3.6757 4.1445 4.1445 4.6435 4.6435 5.2105 5.2105 5.3902 5.3902 5.4728 5.4728 5.7261 5.7261 6.3010 6.3010 6.5791 6.5791 10.1912 10.1912 11.0393 11.0393 12.1021 12.1021 12.8692 12.8692 14.4045 14.4045 14.6900 14.6900 15.2032 15.2032 15.6387 15.6387 k = 0.0000 0.5024 0.2774 ( 2852 PWs) bands (ev): -0.1681 -0.1681 0.5660 0.5660 3.1547 3.1547 3.3800 3.3800 3.4419 3.4419 3.6717 3.6717 4.1412 4.1412 4.6066 4.6066 5.2163 5.2163 5.3909 5.3909 5.4743 5.4743 5.7057 5.7057 6.2945 6.2945 6.5248 6.5248 10.2969 10.2969 11.0865 11.0865 12.0510 12.0510 12.8474 12.8474 14.4167 14.4167 14.7912 14.7912 15.2132 15.2132 15.7642 15.7642 k = 0.0000 0.5024 0.2907 ( 2848 PWs) bands (ev): -0.1305 -0.1305 0.5436 0.5436 3.1622 3.1622 3.3796 3.3796 3.4454 3.4454 3.6663 3.6663 4.1394 4.1394 4.5674 4.5674 5.2227 5.2227 5.3889 5.3889 5.4774 5.4774 5.6855 5.6855 6.2859 6.2859 6.4799 6.4799 10.4067 10.4067 11.1359 11.1359 11.9973 11.9973 12.7975 12.7975 14.4447 14.4447 14.8853 14.8853 15.2351 15.2351 15.8596 15.8596 k = 0.0000 0.5024 0.3039 ( 2848 PWs) bands (ev): -0.0918 -0.0918 0.5183 0.5183 3.1739 3.1739 3.3788 3.3788 3.4496 3.4496 3.6592 3.6592 4.1392 4.1392 4.5264 4.5264 5.2297 5.2297 5.3843 5.3843 5.4821 5.4821 5.6660 5.6660 6.2765 6.2765 6.4429 6.4429 10.5198 10.5198 11.1879 11.1879 11.9415 11.9415 12.7244 12.7244 14.4874 14.4874 14.9618 14.9618 15.2747 15.2747 15.8963 15.8963 k = 0.0000 0.5024 0.3171 ( 2852 PWs) bands (ev): -0.0523 -0.0523 0.4903 0.4903 3.1893 3.1893 3.3774 3.3774 3.4544 3.4544 3.6501 3.6501 4.1410 4.1410 4.4844 4.4844 5.2371 5.2371 5.3773 5.3773 5.4883 5.4883 5.6476 5.6476 6.2677 6.2677 6.4120 6.4120 10.6352 10.6352 11.2427 11.2427 11.8840 11.8840 12.6334 12.6334 14.5416 14.5416 15.0148 15.0148 15.3323 15.3323 15.8816 15.8816 k = 0.0000 0.5024 0.3303 ( 2848 PWs) bands (ev): -0.0119 -0.0119 0.4597 0.4597 3.2077 3.2077 3.3752 3.3752 3.4602 3.4602 3.6388 3.6388 4.1450 4.1450 4.4423 4.4423 5.2450 5.2450 5.3684 5.3684 5.4956 5.4956 5.6306 5.6306 6.2606 6.2606 6.3856 6.3856 10.7516 10.7516 11.3006 11.3006 11.8252 11.8252 12.5296 12.5296 14.6036 14.6036 15.0474 15.0474 15.3983 15.3983 15.8428 15.8428 k = 0.0000 0.5024 0.3435 ( 2850 PWs) bands (ev): 0.0291 0.0291 0.4268 0.4268 3.2284 3.2284 3.3719 3.3719 3.4673 3.4673 3.6251 3.6251 4.1515 4.1515 4.4009 4.4009 5.2533 5.2533 5.3581 5.3581 5.5038 5.5038 5.6150 5.6150 6.2562 6.2562 6.3624 6.3624 10.8675 10.8675 11.3617 11.3617 11.7660 11.7660 12.4171 12.4171 14.6705 14.6705 15.0656 15.0656 15.4592 15.4592 15.7960 15.7960 k = 0.0000 0.5024 0.3567 ( 2846 PWs) bands (ev): 0.0705 0.0705 0.3917 0.3917 3.2503 3.2503 3.3674 3.3674 3.4760 3.4760 3.6091 3.6091 4.1607 4.1607 4.3611 4.3611 5.2620 5.2620 5.3470 5.3470 5.5126 5.5126 5.6006 5.6006 6.2549 6.2549 6.3418 6.3418 10.9811 10.9811 11.4247 11.4247 11.7088 11.7088 12.2993 12.2993 14.7396 14.7396 15.0730 15.0730 15.5063 15.5063 15.7485 15.7485 k = 0.0000 0.5024 0.3699 ( 2846 PWs) bands (ev): 0.1122 0.1122 0.3549 0.3549 3.2724 3.2724 3.3612 3.3612 3.4867 3.4867 3.5911 3.5911 4.1731 4.1731 4.3237 4.3237 5.2713 5.2713 5.3356 5.3356 5.5219 5.5219 5.5874 5.5874 6.2566 6.2566 6.3232 6.3232 11.0902 11.0902 11.4802 11.4802 11.6637 11.6637 12.1792 12.1792 14.8082 14.8082 15.0699 15.0699 15.5383 15.5383 15.7036 15.7036 k = 0.0000 0.5024 0.3831 ( 2844 PWs) bands (ev): 0.1539 0.1539 0.3166 0.3166 3.2935 3.2935 3.3530 3.3530 3.4997 3.4997 3.5718 3.5718 4.1889 4.1889 4.2894 4.2894 5.2810 5.2810 5.3241 5.3241 5.5317 5.5317 5.5750 5.5750 6.2614 6.2614 6.3066 6.3066 11.1927 11.1927 11.4912 11.4912 11.6688 11.6688 12.0596 12.0596 14.8740 14.8740 15.0548 15.0548 15.5601 15.5601 15.6633 15.6633 k = 0.0000 0.5024 0.3963 ( 2842 PWs) bands (ev): 0.1955 0.1955 0.2771 0.2771 3.3126 3.3126 3.3424 3.3424 3.5152 3.5152 3.5521 3.5521 4.2084 4.2084 4.2586 4.2586 5.2911 5.2911 5.3127 5.3127 5.5419 5.5419 5.5634 5.5634 6.2691 6.2691 6.2919 6.2919 11.2868 11.2868 11.4432 11.4432 11.7379 11.7379 11.9435 11.9435 14.9343 14.9343 15.0269 15.0269 15.5791 15.5791 15.6290 15.6290 k = 0.0000 0.5024 0.4096 ( 2840 PWs) bands (ev): 0.2366 0.2366 0.2366 0.2366 3.3290 3.3290 3.3290 3.3290 3.5329 3.5329 3.5329 3.5329 4.2316 4.2316 4.2316 4.2316 5.3017 5.3017 5.3017 5.3017 5.5524 5.5524 5.5524 5.5524 6.2793 6.2793 6.2793 6.2793 11.3711 11.3711 11.3711 11.3711 11.8344 11.8344 11.8344 11.8344 14.9861 14.9861 14.9861 14.9861 15.6011 15.6011 15.6011 15.6011 k = 0.0000 0.5024 0.4096 ( 2840 PWs) bands (ev): 0.2366 0.2366 0.2366 0.2366 3.3290 3.3290 3.3290 3.3290 3.5329 3.5329 3.5329 3.5329 4.2316 4.2316 4.2316 4.2316 5.3017 5.3017 5.3017 5.3017 5.5524 5.5524 5.5524 5.5524 6.2793 6.2793 6.2793 6.2793 11.3711 11.3711 11.3711 11.3711 11.8344 11.8344 11.8344 11.8344 14.9861 14.9861 14.9861 14.9861 15.6011 15.6011 15.6011 15.6011 k = 0.0130 0.5024 0.4096 ( 2840 PWs) bands (ev): 0.2365 0.2365 0.2366 0.2366 3.3258 3.3258 3.3333 3.3333 3.5308 3.5308 3.5361 3.5361 4.2295 4.2295 4.2361 4.2361 5.2981 5.2981 5.3055 5.3055 5.5492 5.5492 5.5565 5.5565 6.2765 6.2765 6.2824 6.2824 11.3088 11.3088 11.3661 11.3661 11.8203 11.8203 11.8976 11.8976 14.9181 14.9181 15.0051 15.0051 15.5795 15.5795 15.6700 15.6700 k = 0.0260 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2363 0.2363 0.2366 0.2366 3.3238 3.3238 3.3387 3.3387 3.5298 3.5298 3.5403 3.5403 4.2298 4.2298 4.2431 4.2431 5.2948 5.2948 5.3096 5.3096 5.5469 5.5469 5.5614 5.5614 6.2741 6.2741 6.2857 6.2857 11.2077 11.2077 11.2927 11.2927 11.8562 11.8562 11.9810 11.9810 14.8240 14.8240 14.9674 14.9674 15.6144 15.6144 15.7632 15.7632 k = 0.0390 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2359 0.2359 0.2364 0.2364 3.3230 3.3230 3.3451 3.3451 3.5302 3.5302 3.5454 3.5454 4.2325 4.2325 4.2526 4.2526 5.2918 5.2918 5.3138 5.3138 5.5455 5.5455 5.5672 5.5672 6.2719 6.2719 6.2893 6.2893 11.0865 11.0865 11.1796 11.1796 11.9126 11.9126 12.0645 12.0645 14.7207 14.7207 14.8928 14.8928 15.6881 15.6881 15.8645 15.8645 k = 0.0520 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2355 0.2355 0.2361 0.2361 3.3233 3.3233 3.3521 3.3521 3.5321 3.5321 3.5515 3.5515 4.2375 4.2375 4.2646 4.2646 5.2892 5.2892 5.3181 5.3181 5.5450 5.5450 5.5738 5.5738 6.2701 6.2701 6.2932 6.2932 10.9538 10.9538 11.0473 11.0473 11.9679 11.9679 12.1377 12.1377 14.6184 14.6184 14.8041 14.8041 15.7807 15.7807 15.9660 15.9660 k = 0.0650 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2350 0.2350 0.2357 0.2357 3.3248 3.3248 3.3597 3.3597 3.5357 3.5357 3.5586 3.5586 4.2448 4.2448 4.2791 4.2791 5.2871 5.2871 5.3226 5.3226 5.5453 5.5453 5.5812 5.5812 6.2687 6.2687 6.2973 6.2973 10.8138 10.8138 10.9050 10.9050 12.0113 12.0113 12.1941 12.1941 14.5244 14.5244 14.7154 14.7154 15.8816 15.8816 16.0645 16.0645 k = 0.0780 0.5024 0.4096 ( 2852 PWs) bands (ev): 0.2343 0.2343 0.2352 0.2352 3.3272 3.3272 3.3675 3.3675 3.5413 3.5413 3.5667 3.5667 4.2543 4.2543 4.2962 4.2962 5.2854 5.2854 5.3273 5.3273 5.5466 5.5466 5.5895 5.5895 6.2677 6.2677 6.3016 6.3016 10.6690 10.6690 10.7567 10.7567 12.0372 12.0372 12.2288 12.2288 14.4437 14.4437 14.6346 14.6346 15.9867 15.9867 16.1598 16.1598 k = 0.0910 0.5024 0.4096 ( 2850 PWs) bands (ev): 0.2336 0.2336 0.2346 0.2346 3.3306 3.3306 3.3751 3.3751 3.5491 3.5491 3.5759 3.5759 4.2659 4.2659 4.3159 4.3159 5.2844 5.2844 5.3322 5.3322 5.5488 5.5488 5.5986 5.5986 6.2670 6.2670 6.3062 6.3062 10.5207 10.5207 10.6047 10.6047 12.0422 12.0422 12.2383 12.2383 14.3802 14.3802 14.5661 14.5661 16.0947 16.0947 16.2531 16.2531 k = 0.1041 0.5024 0.4096 ( 2852 PWs) bands (ev): 0.2328 0.2328 0.2339 0.2339 3.3346 3.3346 3.3824 3.3824 3.5594 3.5594 3.5862 3.5862 4.2797 4.2797 4.3380 4.3380 5.2841 5.2841 5.3372 5.3372 5.5519 5.5519 5.6085 5.6085 6.2669 6.2669 6.3110 6.3110 10.3701 10.3701 10.4506 10.4506 12.0246 12.0246 12.2206 12.2206 14.3361 14.3361 14.5122 14.5122 16.2058 16.2058 16.3462 16.3462 k = 0.1171 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2319 0.2319 0.2331 0.2331 3.3393 3.3393 3.3891 3.3891 3.5722 3.5722 3.5976 3.5976 4.2954 4.2954 4.3626 4.3626 5.2845 5.2845 5.3426 5.3426 5.5558 5.5558 5.6192 5.6192 6.2672 6.2672 6.3161 6.3161 10.2180 10.2180 10.2953 10.2953 11.9841 11.9841 12.1758 12.1758 14.3112 14.3112 14.4737 14.4737 16.3204 16.3204 16.4409 16.4409 k = 0.1301 0.5024 0.4096 ( 2840 PWs) bands (ev): 0.2309 0.2309 0.2322 0.2322 3.3444 3.3444 3.3951 3.3951 3.5876 3.5876 3.6104 3.6104 4.3132 4.3132 4.3896 4.3896 5.2858 5.2858 5.3483 5.3483 5.5607 5.5607 5.6308 5.6308 6.2680 6.2680 6.3215 6.3215 10.0652 10.0652 10.1394 10.1394 11.9218 11.9218 12.1060 12.1060 14.3038 14.3038 14.4497 14.4497 16.4387 16.4387 16.5386 16.5386 k = 0.1431 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.2298 0.2298 0.2312 0.2312 3.3498 3.3498 3.4003 3.4003 3.6056 3.6056 3.6245 3.6245 4.3329 4.3329 4.4190 4.4190 5.2880 5.2880 5.3544 5.3544 5.5665 5.5665 5.6433 5.6433 6.2693 6.2693 6.3271 6.3271 9.9121 9.9121 9.9836 9.9836 11.8399 11.8399 12.0144 12.0144 14.3107 14.3107 14.4383 14.4383 16.5608 16.5608 16.6401 16.6401 k = 0.1561 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2286 0.2286 0.2301 0.2301 3.3554 3.3554 3.4048 3.4048 3.6259 3.6259 3.6399 3.6399 4.3543 4.3543 4.4506 4.4506 5.2914 5.2914 5.3609 5.3609 5.5731 5.5731 5.6566 5.6566 6.2713 6.2713 6.3330 6.3330 9.7591 9.7591 9.8282 9.8282 11.7411 11.7411 11.9050 11.9050 14.3282 14.3282 14.4373 14.4373 16.6867 16.6867 16.7455 16.7455 k = 0.1691 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2273 0.2273 0.2289 0.2289 3.3610 3.3610 3.4087 3.4087 3.6482 3.6482 3.6567 3.6567 4.3776 4.3776 4.4843 4.4843 5.2958 5.2958 5.3681 5.3681 5.5807 5.5807 5.6708 5.6708 6.2738 6.2738 6.3393 6.3393 9.6068 9.6068 9.6738 9.6738 11.6283 11.6283 11.7815 11.7815 14.3530 14.3530 14.4441 14.4441 16.8156 16.8156 16.8545 16.8545 k = 0.1821 0.5024 0.4096 ( 2852 PWs) bands (ev): 0.2260 0.2260 0.2277 0.2277 3.3665 3.3665 3.4120 3.4120 3.6724 3.6724 3.6749 3.6749 4.4025 4.4025 4.5199 4.5199 5.3016 5.3016 5.3761 5.3761 5.5891 5.5891 5.6859 5.6859 6.2771 6.2771 6.3459 6.3459 9.4553 9.4553 9.5206 9.5206 11.5041 11.5041 11.6473 11.6473 14.3820 14.3820 14.4567 14.4567 16.9467 16.9467 16.9664 16.9664 k = 0.1951 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2245 0.2245 0.2263 0.2263 3.3719 3.3719 3.4149 3.4149 3.6944 3.6944 3.6982 3.6982 4.4289 4.4289 4.5573 4.5573 5.3088 5.3088 5.3849 5.3849 5.5985 5.5985 5.7020 5.7020 6.2811 6.2811 6.3529 6.3529 9.3052 9.3052 9.3689 9.3689 11.3711 11.3711 11.5052 11.5052 14.4131 14.4131 14.4730 14.4730 17.0787 17.0787 17.0802 17.0802 k = 0.2081 0.5024 0.4096 ( 2850 PWs) bands (ev): 0.2230 0.2230 0.2248 0.2248 3.3770 3.3770 3.4174 3.4174 3.7152 3.7152 3.7252 3.7252 4.4567 4.4567 4.5962 4.5962 5.3175 5.3175 5.3948 5.3948 5.6089 5.6089 5.7191 5.7191 6.2859 6.2859 6.3604 6.3604 9.1565 9.1565 9.2190 9.2190 11.2314 11.2314 11.3574 11.3574 14.4447 14.4447 14.4915 14.4915 17.1946 17.1946 17.2102 17.2102 k = 0.2211 0.5024 0.4096 ( 2852 PWs) bands (ev): 0.2215 0.2215 0.2233 0.2233 3.3819 3.3819 3.4197 3.4197 3.7372 3.7372 3.7532 3.7532 4.4857 4.4857 4.6363 4.6363 5.3278 5.3278 5.4058 5.4058 5.6203 5.6203 5.7373 5.7373 6.2915 6.2915 6.3684 6.3684 9.0096 9.0096 9.0711 9.0711 11.0868 11.0868 11.2057 11.2057 14.4756 14.4756 14.5111 14.5111 17.3083 17.3083 17.3397 17.3397 k = 0.2341 0.5024 0.4096 ( 2850 PWs) bands (ev): 0.2198 0.2198 0.2217 0.2217 3.3865 3.3865 3.4217 3.4217 3.7601 3.7601 3.7819 3.7819 4.5159 4.5159 4.6773 4.6773 5.3399 5.3399 5.4184 5.4184 5.6328 5.6328 5.7567 5.7567 6.2982 6.2982 6.3769 6.3769 8.8647 8.8647 8.9255 8.9255 10.9386 10.9386 11.0515 11.0515 14.5050 14.5050 14.5309 14.5309 17.4199 17.4199 17.4655 17.4655 k = 0.2471 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.2181 0.2181 0.2200 0.2200 3.3908 3.3908 3.4236 3.4236 3.7840 3.7840 3.8110 3.8110 4.5469 4.5469 4.7187 4.7187 5.3538 5.3538 5.4326 5.4326 5.6466 5.6466 5.7772 5.7772 6.3059 6.3059 6.3862 6.3862 8.7221 8.7221 8.7825 8.7825 10.7881 10.7881 10.8960 10.8960 14.5325 14.5325 14.5504 14.5504 17.5285 17.5285 17.5865 17.5865 k = 0.2601 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2163 0.2163 0.2182 0.2182 3.3948 3.3948 3.4253 3.4253 3.8086 3.8086 3.8402 3.8402 4.5786 4.5786 4.7599 4.7599 5.3697 5.3697 5.4486 5.4486 5.6618 5.6618 5.7991 5.7991 6.3148 6.3148 6.3961 6.3961 8.5819 8.5819 8.6422 8.6422 10.6363 10.6363 10.7399 10.7399 14.5579 14.5579 14.5690 14.5690 17.6333 17.6333 17.7016 17.7016 k = 0.2731 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.2145 0.2145 0.2163 0.2163 3.3985 3.3985 3.4268 3.4268 3.8337 3.8337 3.8694 3.8694 4.6107 4.6107 4.8006 4.8006 5.3875 5.3875 5.4667 5.4667 5.6786 5.6786 5.8224 5.8224 6.3250 6.3250 6.4069 6.4069 8.4445 8.4445 8.5050 8.5050 10.4839 10.4839 10.5841 10.5841 14.5809 14.5809 14.5865 14.5865 17.7339 17.7339 17.8104 17.8104 k = 0.2861 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.2126 0.2126 0.2144 0.2144 3.4020 3.4020 3.4283 3.4283 3.8591 3.8591 3.8981 3.8981 4.6429 4.6429 4.8400 4.8400 5.4073 5.4073 5.4870 5.4870 5.6972 5.6972 5.8472 5.8472 6.3366 6.3366 6.4186 6.4186 8.3101 8.3101 8.3711 8.3711 10.3316 10.3316 10.4291 10.4291 14.6016 14.6016 14.6027 14.6027 17.8301 17.8301 17.9126 17.9126 k = 0.2991 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.2106 0.2106 0.2124 0.2124 3.4051 3.4051 3.4296 3.4296 3.8847 3.8847 3.9263 3.9263 4.6751 4.6751 4.8776 4.8776 5.4289 5.4289 5.5094 5.5094 5.7182 5.7182 5.8737 5.8737 6.3498 6.3498 6.4313 6.4313 8.1789 8.1789 8.2410 8.2410 10.1801 10.1801 10.2754 10.2754 14.6175 14.6175 14.6200 14.6200 17.9221 17.9221 18.0086 18.0086 k = 0.3122 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2086 0.2086 0.2104 0.2104 3.4081 3.4081 3.4309 3.4309 3.9102 3.9102 3.9537 3.9537 4.7070 4.7070 4.9127 4.9127 5.4523 5.4523 5.5336 5.5336 5.7420 5.7420 5.9020 5.9020 6.3647 6.3647 6.4450 6.4450 8.0514 8.0514 8.1149 8.1149 10.0298 10.0298 10.1236 10.1236 14.6307 14.6307 14.6361 14.6361 18.0101 18.0101 18.0990 18.0990 k = 0.3252 0.5024 0.4096 ( 2846 PWs) bands (ev): 0.2066 0.2066 0.2082 0.2082 3.4108 3.4108 3.4320 3.4320 3.9355 3.9355 3.9800 3.9800 4.7382 4.7382 4.9449 4.9449 5.4772 5.4772 5.5593 5.5593 5.7691 5.7691 5.9323 5.9323 6.3815 6.3815 6.4597 6.4597 7.9279 7.9279 7.9934 7.9934 9.8812 9.8812 9.9739 9.9739 14.6424 14.6424 14.6499 14.6499 18.0944 18.0944 18.1843 18.1843 k = 0.3382 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2044 0.2044 0.2060 0.2060 3.4133 3.4133 3.4331 3.4331 3.9602 3.9602 4.0051 4.0051 4.7686 4.7686 4.9737 4.9737 5.5033 5.5033 5.5855 5.5855 5.8004 5.8004 5.9648 5.9648 6.4002 6.4002 6.4753 6.4753 7.8088 7.8088 7.8772 7.8772 9.7347 9.7347 9.8267 9.8267 14.6525 14.6525 14.6616 14.6616 18.1755 18.1755 18.2651 18.2651 k = 0.3512 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.2023 0.2023 0.2038 0.2038 3.4157 3.4157 3.4340 3.4340 3.9843 3.9843 4.0287 4.0287 4.7979 4.7979 4.9991 4.9991 5.5301 5.5301 5.6114 5.6114 5.8362 5.8362 5.9996 5.9996 6.4210 6.4210 6.4915 6.4915 7.6949 7.6949 7.7670 7.7670 9.5906 9.5906 9.6824 9.6824 14.6610 14.6610 14.6711 14.6711 18.2537 18.2537 18.3421 18.3421 k = 0.3642 0.5024 0.4096 ( 2856 PWs) bands (ev): 0.2000 0.2000 0.2015 0.2015 3.4178 3.4178 3.4349 3.4349 4.0074 4.0074 4.0508 4.0508 4.8260 4.8260 5.0208 5.0208 5.5570 5.5570 5.6361 5.6361 5.8770 5.8770 6.0368 6.0368 6.4438 6.4438 6.5078 6.5078 7.5869 7.5869 7.6639 7.6639 9.4494 9.4494 9.5413 9.5413 14.6678 14.6678 14.6786 14.6786 18.3292 18.3292 18.4157 18.4157 k = 0.3772 0.5024 0.4096 ( 2854 PWs) bands (ev): 0.1978 0.1978 0.1991 0.1991 3.4198 3.4198 3.4356 3.4356 4.0294 4.0294 4.0711 4.0711 4.8527 4.8527 5.0389 5.0389 5.5836 5.5836 5.6589 5.6589 5.9223 5.9223 6.0765 6.0765 6.4682 6.4682 6.5233 6.5233 7.4861 7.4861 7.5695 7.5695 9.3114 9.3114 9.4037 9.4037 14.6731 14.6731 14.6841 14.6841 18.4021 18.4021 18.4863 18.4863 k = 0.3902 0.5024 0.4096 ( 2850 PWs) bands (ev): 0.1955 0.1955 0.1967 0.1967 3.4217 3.4217 3.4363 3.4363 4.0502 4.0502 4.0896 4.0896 4.8779 4.8779 5.0537 5.0537 5.6092 5.6092 5.6793 5.6793 5.9715 5.9715 6.1187 6.1187 6.4936 6.4936 6.5367 6.5367 7.3940 7.3940 7.4858 7.4858 9.1771 9.1771 9.2700 9.2700 14.6768 14.6768 14.6878 14.6878 18.4728 18.4728 18.5540 18.5540 k = 0.4032 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1931 0.1931 0.1943 0.1943 3.4234 3.4234 3.4368 3.4368 4.0695 4.0695 4.1062 4.1062 4.9014 4.9014 5.0653 5.0653 5.6331 5.6331 5.6972 5.6972 6.0234 6.0234 6.1632 6.1632 6.5187 6.5187 6.5461 6.5461 7.3132 7.3132 7.4155 7.4155 9.0468 9.0468 9.1405 9.1405 14.6788 14.6788 14.6896 14.6896 18.5410 18.5410 18.6189 18.6189 k = 0.4162 0.5024 0.4096 ( 2842 PWs) bands (ev): 0.1907 0.1907 0.1918 0.1918 3.4250 3.4250 3.4373 3.4373 4.0872 4.0872 4.1207 4.1207 4.9232 4.9232 5.0739 5.0739 5.6549 5.6549 5.7124 5.7124 6.0763 6.0763 6.2095 6.2095 6.5414 6.5414 6.5490 6.5490 7.2469 7.2469 7.3614 7.3614 8.9212 8.9212 9.0157 9.0157 14.6793 14.6793 14.6895 14.6895 18.6068 18.6068 18.6809 18.6809 k = 0.4292 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1883 0.1883 0.1892 0.1892 3.4265 3.4265 3.4377 3.4377 4.1032 4.1032 4.1332 4.1332 4.9431 4.9431 5.0798 5.0798 5.6741 5.6741 5.7248 5.7248 6.1284 6.1284 6.2569 6.2569 6.5436 6.5436 6.5588 6.5588 7.1997 7.1997 7.3268 7.3268 8.8007 8.8007 8.8961 8.8961 14.6783 14.6783 14.6878 14.6878 18.6699 18.6699 18.7399 18.7399 k = 0.4422 0.5024 0.4096 ( 2848 PWs) bands (ev): 0.1858 0.1858 0.1866 0.1866 3.4279 3.4279 3.4379 3.4379 4.1172 4.1172 4.1435 4.1435 4.9610 4.9610 5.0831 5.0831 5.6902 5.6902 5.7344 5.7344 6.1771 6.1771 6.3036 6.3036 6.5294 6.5294 6.5683 6.5683 7.1761 7.1761 7.3134 7.3134 8.6861 8.6861 8.7822 8.7822 14.6756 14.6756 14.6844 14.6844 18.7301 18.7301 18.7956 18.7956 k = 0.4552 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1833 0.1833 0.1840 0.1840 3.4291 3.4291 3.4381 3.4381 4.1292 4.1292 4.1518 4.1518 4.9770 4.9770 5.0840 5.0840 5.7030 5.7030 5.7409 5.7409 6.2192 6.2192 6.3456 6.3456 6.5101 6.5101 6.5700 6.5700 7.1788 7.1788 7.3213 7.3213 8.5783 8.5783 8.6747 8.6747 14.6715 14.6715 14.6793 14.6793 18.7870 18.7870 18.8475 18.8475 k = 0.4552 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1833 0.1833 0.1840 0.1840 3.4291 3.4291 3.4381 3.4381 4.1292 4.1292 4.1518 4.1518 4.9770 4.9770 5.0840 5.0840 5.7030 5.7030 5.7409 5.7409 6.2192 6.2192 6.3456 6.3456 6.5101 6.5101 6.5700 6.5700 7.1788 7.1788 7.3213 7.3213 8.5783 8.5783 8.6747 8.6747 14.6715 14.6715 14.6793 14.6793 18.7870 18.7870 18.8475 18.8475 k = 0.4463 0.4926 0.4096 ( 2848 PWs) bands (ev): 0.1874 0.1874 0.1883 0.1883 3.4272 3.4272 3.4378 3.4378 4.1110 4.1110 4.1398 4.1398 4.9528 4.9528 5.0834 5.0834 5.6850 5.6850 5.7327 5.7327 6.1570 6.1570 6.2871 6.2871 6.5422 6.5422 6.5759 6.5759 7.1587 7.1587 7.2956 7.2956 8.7430 8.7430 8.8386 8.8386 14.6797 14.6797 14.6889 14.6889 18.6999 18.6999 18.7677 18.7677 k = 0.4374 0.4827 0.4096 ( 2848 PWs) bands (ev): 0.1920 0.1920 0.1931 0.1931 3.4250 3.4250 3.4372 3.4372 4.0898 4.0898 4.1256 4.1256 4.9254 4.9254 5.0807 5.0807 5.6648 5.6648 5.7232 5.7232 6.0872 6.0872 6.2273 6.2273 6.5795 6.5795 6.5897 6.5897 7.1459 7.1459 7.2738 7.2738 8.9183 8.9183 9.0119 9.0119 14.6893 14.6893 14.6999 14.6999 18.6076 18.6076 18.6817 18.6817 k = 0.4284 0.4729 0.4096 ( 2852 PWs) bands (ev): 0.1970 0.1970 0.1983 0.1983 3.4225 3.4225 3.4364 3.4364 4.0657 4.0657 4.1094 4.1094 4.8950 4.8950 5.0759 5.0759 5.6425 5.6425 5.7124 5.7124 6.0146 6.0146 6.1699 6.1699 6.6099 6.6099 6.6206 6.6206 7.1389 7.1389 7.2558 7.2558 9.1019 9.1019 9.1931 9.1931 14.7002 14.7002 14.7121 14.7121 18.5120 18.5120 18.5915 18.5915 k = 0.4195 0.4630 0.4096 ( 2852 PWs) bands (ev): 0.2022 0.2022 0.2038 0.2038 3.4199 3.4199 3.4353 3.4353 4.0389 4.0389 4.0912 4.0912 4.8615 4.8615 5.0690 5.0690 5.6185 5.6185 5.7001 5.7001 5.9435 5.9435 6.1168 6.1168 6.6348 6.6348 6.6648 6.6648 7.1366 7.1366 7.2413 7.2413 9.2919 9.2919 9.3808 9.3808 14.7123 14.7123 14.7254 14.7254 18.4144 18.4144 18.4987 18.4987 k = 0.4106 0.4532 0.4096 ( 2856 PWs) bands (ev): 0.2074 0.2074 0.2092 0.2092 3.4170 3.4170 3.4338 3.4338 4.0094 4.0094 4.0712 4.0712 4.8253 4.8253 5.0597 5.0597 5.5934 5.5934 5.6855 5.6855 5.8775 5.8775 6.0693 6.0693 6.6630 6.6630 6.7116 6.7116 7.1384 7.1384 7.2299 7.2299 9.4872 9.4872 9.5740 9.5740 14.7254 14.7254 14.7396 14.7396 18.3161 18.3161 18.4046 18.4046 k = 0.4017 0.4433 0.4096 ( 2860 PWs) bands (ev): 0.2124 0.2124 0.2146 0.2146 3.4137 3.4137 3.4321 3.4321 3.9775 3.9775 4.0495 4.0495 4.7870 4.7870 5.0483 5.0483 5.5677 5.5677 5.6670 5.6670 5.8202 5.8202 6.0277 6.0277 6.6934 6.6934 6.7603 6.7603 7.1439 7.1439 7.2215 7.2215 9.6869 9.6869 9.7719 9.7719 14.7395 14.7395 14.7546 14.7546 18.2179 18.2179 18.3102 18.3102 k = 0.3927 0.4335 0.4096 ( 2852 PWs) bands (ev): 0.2171 0.2171 0.2196 0.2196 3.4102 3.4102 3.4300 3.4300 3.9437 3.9437 4.0264 4.0264 4.7471 4.7471 5.0348 5.0348 5.5422 5.5422 5.6429 5.6429 5.7749 5.7749 5.9919 5.9919 6.7247 6.7247 6.8105 6.8105 7.1533 7.1533 7.2160 7.2160 9.8902 9.8902 9.9737 9.9737 14.7545 14.7545 14.7702 14.7702 18.1205 18.1205 18.2162 18.2162 k = 0.3838 0.4236 0.4096 ( 2856 PWs) bands (ev): 0.2211 0.2211 0.2240 0.2240 3.4063 3.4063 3.4277 3.4277 3.9084 3.9084 4.0019 4.0019 4.7066 4.7066 5.0195 5.0195 5.5174 5.5174 5.6125 5.6125 5.7427 5.7427 5.9614 5.9614 6.7559 6.7559 6.8613 6.8613 7.1668 7.1668 7.2135 7.2135 10.0962 10.0962 10.1788 10.1788 14.7703 14.7703 14.7863 14.7863 18.0244 18.0244 18.1233 18.1233 k = 0.3749 0.4138 0.4096 ( 2852 PWs) bands (ev): 0.2243 0.2243 0.2276 0.2276 3.4020 3.4020 3.4250 3.4250 3.8720 3.8720 3.9764 3.9764 4.6663 4.6663 5.0029 5.0029 5.4939 5.4939 5.5787 5.5787 5.7211 5.7211 5.9355 5.9355 6.7859 6.7859 6.9117 6.9117 7.1850 7.1850 7.2149 7.2149 10.3043 10.3043 10.3865 10.3865 14.7868 14.7868 14.8029 14.8029 17.9301 17.9301 18.0317 18.0317 k = 0.3660 0.4039 0.4096 ( 2852 PWs) bands (ev): 0.2264 0.2264 0.2302 0.2302 3.3971 3.3971 3.4219 3.4219 3.8352 3.8352 3.9502 3.9502 4.6271 4.6271 4.9854 4.9854 5.4720 5.4720 5.5452 5.5452 5.7062 5.7062 5.9135 5.9135 6.8138 6.8138 6.9599 6.9599 7.2082 7.2082 7.2214 7.2214 10.5137 10.5137 10.5961 10.5961 14.8042 14.8042 14.8198 14.8198 17.8378 17.8378 17.9418 17.9418 k = 0.3570 0.3941 0.4096 ( 2856 PWs) bands (ev): 0.2272 0.2272 0.2314 0.2314 3.3918 3.3918 3.4187 3.4187 3.7987 3.7987 3.9237 3.9237 4.5898 4.5898 4.9679 4.9679 5.4518 5.4518 5.5142 5.5142 5.6953 5.6953 5.8949 5.8949 6.8388 6.8388 7.0034 7.0034 7.2351 7.2351 7.2369 7.2369 10.7238 10.7238 10.8069 10.8069 14.8225 14.8225 14.8372 14.8372 17.7477 17.7477 17.8538 17.8538 k = 0.3481 0.3842 0.4096 ( 2856 PWs) bands (ev): 0.2264 0.2264 0.2311 0.2311 3.3859 3.3859 3.4152 3.4152 3.7632 3.7632 3.8972 3.8972 4.5550 4.5550 4.9508 4.9508 5.4333 5.4333 5.4867 5.4867 5.6868 5.6868 5.8790 5.8790 6.8607 6.8607 7.0394 7.0394 7.2588 7.2588 7.2711 7.2711 10.9336 10.9336 11.0182 11.0182 14.8419 14.8419 14.8551 14.8551 17.6600 17.6600 17.7675 17.7675 k = 0.3392 0.3744 0.4096 ( 2860 PWs) bands (ev): 0.2238 0.2238 0.2290 0.2290 3.3794 3.3794 3.4116 3.4116 3.7293 3.7293 3.8713 3.8713 4.5232 4.5232 4.9349 4.9349 5.4166 5.4166 5.4626 5.4626 5.6799 5.6799 5.8655 5.8655 6.8794 6.8794 7.0660 7.0660 7.2941 7.2941 7.3104 7.3104 11.1423 11.1423 11.2291 11.2291 14.8628 14.8628 14.8737 14.8737 17.5744 17.5744 17.6828 17.6828 k = 0.3303 0.3645 0.4096 ( 2856 PWs) bands (ev): 0.2192 0.2192 0.2250 0.2250 3.3723 3.3723 3.4080 3.4080 3.6977 3.6977 3.8464 3.8464 4.4948 4.4948 4.9208 4.9208 5.4014 5.4014 5.4416 5.4416 5.6744 5.6744 5.8540 5.8540 6.8952 6.8952 7.0840 7.0840 7.3399 7.3399 7.3545 7.3545 11.3487 11.3487 11.4387 11.4387 14.8858 14.8858 14.8936 14.8936 17.4907 17.4907 17.5993 17.5993 k = 0.3213 0.3547 0.4096 ( 2856 PWs) bands (ev): 0.2124 0.2124 0.2187 0.2187 3.3648 3.3648 3.4046 3.4046 3.6688 3.6688 3.8229 3.8229 4.4699 4.4699 4.9088 4.9088 5.3878 5.3878 5.4234 5.4234 5.6699 5.6699 5.8441 5.8441 6.9087 6.9087 7.0959 7.0959 7.3936 7.3936 7.4027 7.4027 11.5515 11.5515 11.6456 11.6456 14.9115 14.9115 14.9152 14.9152 17.4084 17.4084 17.5164 17.5164 k = 0.3124 0.3448 0.4096 ( 2852 PWs) bands (ev): 0.2032 0.2032 0.2100 0.2100 3.3569 3.3569 3.4016 3.4016 3.6431 3.6431 3.8011 3.8011 4.4487 4.4487 4.8995 4.8995 5.3755 5.3755 5.4074 5.4074 5.6662 5.6662 5.8358 5.8358 6.9203 6.9203 7.1042 7.1042 7.4526 7.4526 7.4542 7.4542 11.7492 11.7492 11.8486 11.8486 14.9396 14.9396 14.9410 14.9410 17.3269 17.3269 17.4333 17.4333 k = 0.3035 0.3350 0.4096 ( 2850 PWs) bands (ev): 0.1915 0.1915 0.1989 0.1989 3.3490 3.3490 3.3991 3.3991 3.6206 3.6206 3.7812 3.7812 4.4313 4.4313 4.8929 4.8929 5.3644 5.3644 5.3934 5.3934 5.6633 5.6633 5.8288 5.8288 6.9307 6.9307 7.1106 7.1106 7.5085 7.5085 7.5150 7.5150 11.9399 11.9399 12.0459 12.0459 14.9678 14.9678 14.9756 14.9756 17.2448 17.2448 17.3485 17.3485 k = 0.2946 0.3251 0.4096 ( 2846 PWs) bands (ev): 0.1773 0.1773 0.1852 0.1852 3.3415 3.3415 3.3974 3.3974 3.6014 3.6014 3.7635 3.7635 4.4177 4.4177 4.8894 4.8894 5.3546 5.3546 5.3809 5.3809 5.6611 5.6611 5.8229 5.8229 6.9403 6.9403 7.1160 7.1160 7.5650 7.5650 7.5799 7.5799 12.1216 12.1216 12.2353 12.2353 15.0015 15.0015 15.0170 15.0170 17.1606 17.1606 17.2602 17.2602 k = 0.2856 0.3153 0.4096 ( 2842 PWs) bands (ev): 0.1606 0.1606 0.1689 0.1689 3.3346 3.3346 3.3967 3.3967 3.5853 3.5853 3.7480 3.7480 4.4079 4.4079 4.8890 4.8890 5.3457 5.3457 5.3698 5.3698 5.6595 5.6595 5.8181 5.8181 6.9495 6.9495 7.1213 7.1213 7.6231 7.6231 7.6462 7.6462 12.2918 12.2918 12.4146 12.4146 15.0424 15.0424 15.0668 15.0668 17.0718 17.0718 17.1661 17.1661 k = 0.2767 0.3054 0.4096 ( 2842 PWs) bands (ev): 0.1412 0.1412 0.1499 0.1499 3.3289 3.3289 3.3970 3.3970 3.5720 3.5720 3.7345 3.7345 4.4018 4.4018 4.8918 4.8918 5.3379 5.3379 5.3598 5.3598 5.6586 5.6586 5.8143 5.8143 6.9588 6.9588 7.1269 7.1269 7.6824 7.6824 7.7136 7.7136 12.4479 12.4479 12.5808 12.5808 15.0929 15.0929 15.1272 15.1272 16.9752 16.9752 17.0631 17.0631 k = 0.2678 0.2956 0.4096 ( 2842 PWs) bands (ev): 0.1195 0.1195 0.1285 0.1285 3.3247 3.3247 3.3986 3.3986 3.5612 3.5612 3.7231 3.7231 4.3996 4.3996 4.8978 4.8978 5.3309 5.3309 5.3507 5.3507 5.6582 5.6582 5.8114 5.8114 6.9685 6.9685 7.1332 7.1332 7.7425 7.7425 7.7817 7.7817 12.5871 12.5871 12.7310 12.7310 15.1551 15.1551 15.2002 15.2002 16.8667 16.8667 16.9477 16.9477 k = 0.2589 0.2857 0.4096 ( 2854 PWs) bands (ev): 0.0953 0.0953 0.1047 0.1047 3.3223 3.3223 3.4014 3.4014 3.5525 3.5525 3.7136 3.7136 4.4012 4.4012 4.9070 4.9070 5.3248 5.3248 5.3425 5.3425 5.6584 5.6584 5.8094 5.8094 6.9791 6.9791 7.1404 7.1404 7.8031 7.8031 7.8501 7.8501 12.7069 12.7069 12.8622 12.8622 15.2310 15.2310 15.2873 15.2873 16.7428 16.7428 16.8172 16.8172 k = 0.2499 0.2758 0.4096 ( 2850 PWs) bands (ev): 0.0691 0.0691 0.0786 0.0786 3.3219 3.3219 3.4054 3.4054 3.5457 3.5457 3.7057 3.7057 4.4066 4.4066 4.9194 4.9194 5.3195 5.3195 5.3350 5.3350 5.6592 5.6592 5.8081 5.8081 6.9907 6.9907 7.1488 7.1488 7.8638 7.8638 7.9186 7.9186 12.8054 12.8054 12.9716 12.9716 15.3215 15.3215 15.3892 15.3892 16.6024 16.6024 16.6709 16.6709 k = 0.2410 0.2660 0.4096 ( 2846 PWs) bands (ev): 0.0408 0.0408 0.0505 0.0505 3.3235 3.3235 3.4104 3.4104 3.5403 3.5403 3.6993 3.6993 4.4160 4.4160 4.9347 4.9347 5.3150 5.3150 5.3281 5.3281 5.6604 5.6604 5.8076 5.8076 7.0039 7.0039 7.1587 7.1587 7.9244 7.9244 7.9869 7.9869 12.8810 12.8810 13.0574 13.0574 15.4251 15.4251 15.5051 15.5051 16.4494 16.4494 16.5109 16.5109 k = 0.2321 0.2561 0.4096 ( 2846 PWs) bands (ev): 0.0108 0.0108 0.0206 0.0206 3.3270 3.3270 3.4163 3.4163 3.5363 3.5363 3.6942 3.6942 4.4292 4.4292 4.9529 4.9529 5.3112 5.3112 5.3220 5.3220 5.6622 5.6622 5.8078 5.8078 7.0188 7.0188 7.1703 7.1703 7.9846 7.9846 8.0550 8.0550 12.9333 12.9333 13.1185 13.1185 15.5348 15.5348 15.6310 15.6310 16.2950 16.2950 16.3439 16.3439 k = 0.2232 0.2463 0.4096 ( 2852 PWs) bands (ev): -0.0206 -0.0206 -0.0108 -0.0108 3.3324 3.3324 3.4229 3.4229 3.5334 3.5334 3.6902 3.6902 4.4462 4.4462 4.9736 4.9736 5.3082 5.3082 5.3165 5.3165 5.6646 5.6646 5.8087 5.8087 7.0360 7.0360 7.1840 7.1840 8.0441 8.0441 8.1225 8.1225 12.9624 12.9624 13.1550 13.1550 15.6273 15.6273 15.7530 15.7530 16.1670 16.1670 16.1858 16.1858 k = 0.2142 0.2364 0.4096 ( 2856 PWs) bands (ev): -0.0532 -0.0532 -0.0435 -0.0435 3.3395 3.3395 3.4299 3.4299 3.5314 3.5314 3.6872 3.6872 4.4669 4.4669 4.9965 4.9965 5.3059 5.3059 5.3118 5.3118 5.6675 5.6675 5.8103 5.8103 7.0559 7.0559 7.1999 7.1999 8.1027 8.1027 8.1893 8.1893 12.9690 12.9690 13.1675 13.1675 15.6411 15.6411 15.8054 15.8054 16.1035 16.1035 16.1299 16.1299 k = 0.2053 0.2266 0.4096 ( 2864 PWs) bands (ev): -0.0868 -0.0868 -0.0772 -0.0772 3.3480 3.3480 3.4373 3.4373 3.5303 3.5303 3.6848 3.6848 4.4911 4.4911 5.0212 5.0212 5.3042 5.3042 5.3079 5.3079 5.6710 5.6710 5.8125 5.8125 7.0787 7.0787 7.2184 7.2184 8.1602 8.1602 8.2553 8.2553 12.9540 12.9540 13.1570 13.1570 15.5449 15.5449 15.7025 15.7025 16.1811 16.1811 16.2153 16.2153 k = 0.1964 0.2167 0.4096 ( 2860 PWs) bands (ev): -0.1210 -0.1210 -0.1116 -0.1116 3.3578 3.3578 3.4447 3.4447 3.5298 3.5298 3.6830 3.6830 4.5186 4.5186 5.0469 5.0469 5.3033 5.3033 5.3051 5.3051 5.6751 5.6751 5.8152 5.8152 7.1051 7.1051 7.2399 7.2399 8.2163 8.2163 8.3203 8.3203 12.9183 12.9183 13.1245 13.1245 15.3992 15.3992 15.5435 15.5435 16.3152 16.3152 16.3602 16.3602 k = 0.1874 0.2069 0.4096 ( 2862 PWs) bands (ev): -0.1555 -0.1555 -0.1463 -0.1463 3.3684 3.3684 3.4520 3.4520 3.5299 3.5299 3.6816 3.6816 4.5490 4.5490 5.0730 5.0730 5.3031 5.3031 5.3036 5.3036 5.6798 5.6798 5.8185 5.8185 7.1355 7.1355 7.2646 7.2646 8.2709 8.2709 8.3842 8.3842 12.8627 12.8627 13.0710 13.0710 15.2434 15.2434 15.3792 15.3792 16.4476 16.4476 16.5162 16.5162 k = 0.1785 0.1970 0.4096 ( 2850 PWs) bands (ev): -0.1901 -0.1901 -0.1812 -0.1812 3.3798 3.3798 3.4592 3.4592 3.5306 3.5306 3.6805 3.6805 4.5820 4.5820 5.0985 5.0985 5.3036 5.3036 5.3040 5.3040 5.6851 5.6851 5.8223 5.8223 7.1704 7.1704 7.2928 7.2928 8.3237 8.3237 8.4470 8.4470 12.7880 12.7880 12.9972 12.9972 15.0916 15.0916 15.2209 15.2209 16.5582 16.5582 16.6465 16.6465 k = 0.1696 0.1872 0.4096 ( 2856 PWs) bands (ev): -0.2246 -0.2246 -0.2160 -0.2160 3.3916 3.3916 3.4660 3.4660 3.5318 3.5318 3.6795 3.6795 4.6170 4.6170 5.1221 5.1221 5.3049 5.3049 5.3069 5.3069 5.6912 5.6912 5.8264 5.8264 7.2102 7.2102 7.3251 7.3251 8.3745 8.3745 8.5085 8.5085 12.6950 12.6950 12.9040 12.9040 14.9496 14.9496 15.0726 15.0726 16.6380 16.6380 16.7198 16.7198 k = 0.1607 0.1773 0.4096 ( 2872 PWs) bands (ev): -0.2586 -0.2586 -0.2504 -0.2504 3.4037 3.4037 3.4725 3.4725 3.5334 3.5334 3.6785 3.6785 4.6534 4.6534 5.1425 5.1425 5.3069 5.3069 5.3129 5.3129 5.6980 5.6980 5.8309 5.8309 7.2556 7.2556 7.3616 7.3616 8.4232 8.4232 8.5686 8.5686 12.5846 12.5846 12.7924 12.7924 14.8202 14.8202 14.9365 14.9365 16.6889 16.6889 16.7451 16.7451 k = 0.1517 0.1675 0.4096 ( 2868 PWs) bands (ev): -0.2919 -0.2919 -0.2841 -0.2841 3.4158 3.4158 3.4786 3.4786 3.5354 3.5354 3.6775 3.6775 4.6909 4.6909 5.1587 5.1587 5.3097 5.3097 5.3225 5.3225 5.7056 5.7056 5.8357 5.8357 7.3070 7.3070 7.4027 7.4027 8.4696 8.4696 8.6275 8.6275 12.4582 12.4582 12.6641 12.6641 14.7045 14.7045 14.8134 14.8134 16.7191 16.7191 16.7496 16.7496 k = 0.1428 0.1576 0.4096 ( 2872 PWs) bands (ev): -0.3244 -0.3244 -0.3170 -0.3170 3.4277 3.4277 3.4843 3.4843 3.5378 3.5378 3.6763 3.6763 4.7286 4.7286 5.1702 5.1702 5.3134 5.3134 5.3356 5.3356 5.7140 5.7140 5.8407 5.8407 7.3648 7.3648 7.4487 7.4487 8.5135 8.5135 8.6849 8.6849 12.3171 12.3171 12.5209 12.5209 14.6026 14.6026 14.7035 14.7035 16.7371 16.7371 16.7477 16.7477 k = 0.1339 0.1478 0.4096 ( 2864 PWs) bands (ev): -0.3558 -0.3558 -0.3488 -0.3488 3.4392 3.4392 3.4896 3.4896 3.5407 3.5407 3.6750 3.6750 4.7662 4.7662 5.1773 5.1773 5.3178 5.3178 5.3513 5.3513 5.7232 5.7232 5.8457 5.8457 7.4295 7.4295 7.4999 7.4999 8.5547 8.5547 8.7411 8.7411 12.1634 12.1634 12.3651 12.3651 14.5136 14.5136 14.6061 14.6061 16.7453 16.7453 16.7490 16.7490 k = 0.1250 0.1379 0.4096 ( 2868 PWs) bands (ev): -0.3860 -0.3860 -0.3793 -0.3793 3.4503 3.4503 3.4944 3.4944 3.5439 3.5439 3.6735 3.6735 4.8029 4.8029 5.1809 5.1809 5.3232 5.3232 5.3683 5.3683 5.7332 5.7332 5.8507 5.8507 7.5013 7.5013 7.5564 7.5564 8.5932 8.5932 8.7960 8.7960 11.9988 11.9988 12.1991 12.1991 14.4365 14.4365 14.5205 14.5205 16.7449 16.7449 16.7589 16.7589 k = 0.1160 0.1281 0.4096 ( 2864 PWs) bands (ev): -0.4147 -0.4147 -0.4085 -0.4085 3.4608 3.4608 3.4989 3.4989 3.5475 3.5475 3.6717 3.6717 4.8384 4.8384 5.1819 5.1819 5.3293 5.3293 5.3853 5.3853 5.7438 5.7438 5.8555 5.8555 7.5805 7.5805 7.6183 7.6183 8.6289 8.6289 8.8500 8.8500 11.8254 11.8254 12.0252 12.0252 14.3700 14.3700 14.4456 14.4456 16.7477 16.7477 16.7692 16.7692 k = 0.1071 0.1182 0.4096 ( 2864 PWs) bands (ev): -0.4418 -0.4418 -0.4361 -0.4361 3.4705 3.4705 3.5030 3.5030 3.5516 3.5516 3.6696 3.6696 4.8721 4.8721 5.1810 5.1810 5.3363 5.3363 5.4013 5.4013 5.7549 5.7549 5.8601 5.8601 7.6671 7.6671 7.6854 7.6854 8.6616 8.6616 8.9031 8.9031 11.6450 11.6450 11.8456 11.8456 14.3126 14.3126 14.3803 14.3803 16.7544 16.7544 16.7814 16.7814 k = 0.0982 0.1084 0.4096 ( 2864 PWs) bands (ev): -0.4672 -0.4672 -0.4619 -0.4619 3.4794 3.4794 3.5067 3.5067 3.5561 3.5561 3.6673 3.6673 4.9038 4.9038 5.1787 5.1787 5.3441 5.3441 5.4156 5.4156 5.7664 5.7664 5.8644 5.8644 7.7575 7.7575 7.7609 7.7609 8.6913 8.6913 8.9559 8.9559 11.4595 11.4595 11.6624 11.6624 14.2634 14.2634 14.3234 14.3234 16.7653 16.7653 16.7963 16.7963 k = 0.0893 0.0985 0.4096 ( 2864 PWs) bands (ev): -0.4908 -0.4908 -0.4860 -0.4860 3.4874 3.4874 3.5100 3.5100 3.5610 3.5610 3.6647 3.6647 4.9332 4.9332 5.1754 5.1754 5.3526 5.3526 5.4279 5.4279 5.7780 5.7780 5.8682 5.8682 7.8341 7.8341 7.8617 7.8617 8.7182 8.7182 9.0088 9.0088 11.2704 11.2704 11.4773 11.4773 14.2211 14.2211 14.2741 14.2741 16.7807 16.7807 16.8146 16.8146 k = 0.0803 0.0887 0.4096 ( 2864 PWs) bands (ev): -0.5124 -0.5124 -0.5080 -0.5080 3.4944 3.4944 3.5130 3.5130 3.5664 3.5664 3.6617 3.6617 4.9602 4.9602 5.1714 5.1714 5.3618 5.3618 5.4381 5.4381 5.7896 5.7896 5.8714 5.8714 7.9145 7.9145 7.9687 7.9687 8.7426 8.7426 9.0623 9.0623 11.0791 11.0791 11.2919 11.2919 14.1850 14.1850 14.2313 14.2313 16.8005 16.8005 16.8364 16.8364 k = 0.0714 0.0788 0.4096 ( 2864 PWs) bands (ev): -0.5319 -0.5319 -0.5281 -0.5281 3.5006 3.5006 3.5156 3.5156 3.5721 3.5721 3.6585 3.6585 4.9847 4.9847 5.1667 5.1667 5.3713 5.3713 5.4460 5.4460 5.8009 5.8009 5.8740 5.8740 7.9978 7.9978 8.0810 8.0810 8.7650 8.7650 9.1175 9.1175 10.8869 10.8869 11.1076 11.1076 14.1544 14.1544 14.1945 14.1945 16.8246 16.8246 16.8619 16.8619 k = 0.0625 0.0690 0.4096 ( 2864 PWs) bands (ev): -0.5493 -0.5493 -0.5460 -0.5460 3.5058 3.5058 3.5179 3.5179 3.5782 3.5782 3.6550 3.6550 5.0069 5.0069 5.1615 5.1615 5.3813 5.3813 5.4518 5.4518 5.8117 5.8117 5.8759 5.8759 8.0825 8.0825 8.1964 8.1964 8.7869 8.7869 9.1753 9.1753 10.6951 10.6951 10.9258 10.9258 14.1287 14.1287 14.1630 14.1630 16.8528 16.8528 16.8908 16.8908 k = 0.0536 0.0591 0.4096 ( 2860 PWs) bands (ev): -0.5645 -0.5645 -0.5616 -0.5616 3.5102 3.5102 3.5197 3.5197 3.5845 3.5845 3.6511 3.6511 5.0268 5.0268 5.1558 5.1558 5.3913 5.3913 5.4555 5.4555 5.8219 5.8219 5.8770 5.8770 8.1670 8.1670 8.3114 8.3114 8.8112 8.8112 9.2368 9.2368 10.5047 10.5047 10.7476 10.7476 14.1074 14.1074 14.1362 14.1362 16.8846 16.8846 16.9225 16.9225 k = 0.0446 0.0493 0.4096 ( 2854 PWs) bands (ev): -0.5775 -0.5775 -0.5751 -0.5751 3.5138 3.5138 3.5213 3.5213 3.5908 3.5908 3.6470 3.6470 5.0446 5.0446 5.1495 5.1495 5.4012 5.4012 5.4574 5.4574 5.8313 5.8313 5.8773 5.8773 8.2492 8.2492 8.4186 8.4186 8.8444 8.8444 9.3034 9.3034 10.3170 10.3170 10.5744 10.5744 14.0902 14.0902 14.1139 14.1139 16.9192 16.9192 16.9560 16.9560 k = 0.0357 0.0394 0.4096 ( 2848 PWs) bands (ev): -0.5881 -0.5881 -0.5861 -0.5861 3.5168 3.5168 3.5224 3.5224 3.5973 3.5973 3.6425 3.6425 5.0605 5.0605 5.1428 5.1428 5.4109 5.4109 5.4575 5.4575 5.8400 5.8400 5.8768 5.8768 8.3271 8.3271 8.5057 8.5057 8.8977 8.8977 9.3758 9.3758 10.1341 10.1341 10.4074 10.4074 14.0769 14.0769 14.0956 14.0956 16.9554 16.9554 16.9899 16.9899 k = 0.0268 0.0296 0.4096 ( 2852 PWs) bands (ev): -0.5963 -0.5963 -0.5949 -0.5949 3.5192 3.5192 3.5232 3.5232 3.6036 3.6036 3.6378 3.6378 5.0747 5.0747 5.1355 5.1355 5.4200 5.4200 5.4560 5.4560 5.8478 5.8478 5.8754 5.8754 8.3982 8.3982 8.5600 8.5600 8.9827 8.9827 9.4525 9.4525 9.9598 9.9598 10.2480 10.2480 14.0673 14.0673 14.0811 14.0811 16.9913 16.9913 17.0215 17.0215 k = 0.0179 0.0197 0.4096 ( 2844 PWs) bands (ev): -0.6021 -0.6021 -0.6012 -0.6012 3.5210 3.5210 3.5236 3.5236 3.6099 3.6099 3.6327 3.6327 5.0875 5.0875 5.1275 5.1275 5.4286 5.4286 5.4530 5.4530 5.8547 5.8547 5.8731 5.8731 8.4604 8.4604 8.5803 8.5803 9.0988 9.0988 9.5200 9.5200 9.8100 9.8100 10.0982 10.0982 14.0611 14.0611 14.0702 14.0702 17.0241 17.0241 17.0472 17.0472 k = 0.0089 0.0099 0.4096 ( 2844 PWs) bands (ev): -0.6055 -0.6055 -0.6051 -0.6051 3.5223 3.5223 3.5236 3.5236 3.6159 3.6159 3.6274 3.6274 5.0990 5.0990 5.1189 5.1189 5.4363 5.4363 5.4486 5.4486 5.8607 5.8607 5.8699 5.8699 8.5119 8.5119 8.5749 8.5749 9.2353 9.2353 9.5043 9.5043 9.7609 9.7609 9.9603 9.9603 14.0583 14.0583 14.0629 14.0629 17.0496 17.0496 17.0624 17.0624 k = 0.0000 0.0000 0.4096 ( 2840 PWs) bands (ev): -0.6065 -0.6065 -0.6065 -0.6065 3.5232 3.5232 3.5232 3.5232 3.6218 3.6218 3.6218 3.6218 5.1094 5.1094 5.1094 5.1094 5.4430 5.4430 5.4430 5.4430 5.8657 5.8657 5.8657 5.8657 8.5507 8.5507 8.5507 8.5507 9.3797 9.3797 9.3797 9.3797 9.8399 9.8399 9.8399 9.8399 14.0589 14.0589 14.0589 14.0589 17.0635 17.0635 17.0635 17.0635 k = 0.0000 0.0000 0.4096 ( 2840 PWs) bands (ev): -0.6065 -0.6065 -0.6065 -0.6065 3.5232 3.5232 3.5232 3.5232 3.6218 3.6218 3.6218 3.6218 5.1094 5.1094 5.1094 5.1094 5.4430 5.4430 5.4430 5.4430 5.8657 5.8657 5.8657 5.8657 8.5507 8.5507 8.5507 8.5507 9.3797 9.3797 9.3797 9.3797 9.8399 9.8399 9.8399 9.8399 14.0589 14.0589 14.0589 14.0589 17.0635 17.0635 17.0635 17.0635 k = 0.0000 0.0000 0.3963 ( 2850 PWs) bands (ev): -0.6715 -0.6715 -0.5409 -0.5409 3.5102 3.5102 3.5377 3.5377 3.6214 3.6214 3.6225 3.6225 5.1021 5.1021 5.1173 5.1173 5.4350 5.4350 5.4499 5.4499 5.8532 5.8532 5.8768 5.8768 8.4832 8.4832 8.6146 8.6146 9.3552 9.3552 9.4067 9.4067 9.7937 9.7937 9.8950 9.8950 13.8792 13.8792 14.2261 14.2261 17.0483 17.0483 17.0818 17.0818 k = 0.0000 0.0000 0.3831 ( 2850 PWs) bands (ev): -0.7358 -0.7358 -0.4748 -0.4748 3.4989 3.4989 3.5535 3.5535 3.6214 3.6214 3.6238 3.6238 5.0952 5.0952 5.1259 5.1259 5.4258 5.4258 5.4558 5.4558 5.8394 5.8394 5.8863 5.8863 8.4143 8.4143 8.6713 8.6713 9.3364 9.3364 9.4341 9.4341 9.7566 9.7566 9.9584 9.9584 13.6899 13.6899 14.3775 14.3775 17.0364 17.0364 17.1036 17.1036 k = 0.0000 0.0000 0.3699 ( 2852 PWs) bands (ev): -0.7991 -0.7991 -0.4084 -0.4084 3.4891 3.4891 3.5702 3.5702 3.6221 3.6221 3.6258 3.6258 5.0888 5.0888 5.1351 5.1351 5.4156 5.4156 5.4607 5.4607 5.8245 5.8245 5.8941 5.8941 8.3458 8.3458 8.7166 8.7166 9.3273 9.3273 9.4605 9.4605 9.7292 9.7292 10.0296 10.0296 13.4938 13.4938 14.5096 14.5096 17.0275 17.0275 17.1287 17.1287 k = 0.0000 0.0000 0.3567 ( 2852 PWs) bands (ev): -0.8613 -0.8613 -0.3419 -0.3419 3.4808 3.4808 3.5861 3.5861 3.6234 3.6234 3.6302 3.6302 5.0829 5.0829 5.1450 5.1450 5.4044 5.4044 5.4647 5.4647 5.8085 5.8085 5.9003 5.9003 8.2785 8.2785 8.7460 8.7460 9.3317 9.3317 9.4847 9.4847 9.7128 9.7128 10.1075 10.1075 13.2931 13.2931 14.6194 14.6194 17.0216 17.0216 17.1574 17.1574 k = 0.0000 0.0000 0.3435 ( 2852 PWs) bands (ev): -0.9222 -0.9222 -0.2756 -0.2756 3.4739 3.4739 3.5983 3.5983 3.6249 3.6249 3.6402 3.6402 5.0773 5.0773 5.1558 5.1558 5.3923 5.3923 5.4679 5.4679 5.7918 5.7918 5.9047 5.9047 8.2132 8.2132 8.7573 8.7573 9.3503 9.3503 9.5049 9.5049 9.7104 9.7104 10.1910 10.1910 13.0901 13.0901 14.7046 14.7046 17.0185 17.0185 17.1897 17.1897 k = 0.0000 0.0000 0.3303 ( 2856 PWs) bands (ev): -0.9818 -0.9818 -0.2095 -0.2095 3.4683 3.4683 3.6049 3.6049 3.6265 3.6265 3.6578 3.6578 5.0719 5.0719 5.1673 5.1673 5.3793 5.3793 5.4704 5.4704 5.7745 5.7745 5.9073 5.9073 8.1502 8.1502 8.7517 8.7517 9.3795 9.3795 9.5188 9.5188 9.7266 9.7266 10.2790 10.2790 12.8866 12.8866 14.7642 14.7642 17.0181 17.0181 17.2256 17.2256 k = 0.0000 0.0000 0.3171 ( 2858 PWs) bands (ev): -1.0400 -1.0400 -0.1439 -0.1439 3.4639 3.4639 3.6080 3.6080 3.6280 3.6280 3.6810 3.6810 5.0668 5.0668 5.1798 5.1798 5.3657 5.3657 5.4725 5.4725 5.7569 5.7569 5.9083 5.9083 8.0899 8.0899 8.7333 8.7333 9.4130 9.4130 9.5253 9.5253 9.7648 9.7648 10.3700 10.3700 12.6847 12.6847 14.7985 14.7985 17.0202 17.0202 17.2653 17.2653 k = 0.0000 0.0000 0.3039 ( 2860 PWs) bands (ev): -1.0965 -1.0965 -0.0790 -0.0790 3.4607 3.4607 3.6095 3.6095 3.6294 3.6294 3.7074 3.7074 5.0618 5.0618 5.1933 5.1933 5.3516 5.3516 5.4743 5.4743 5.7390 5.7390 5.9075 5.9075 8.0322 8.0322 8.7063 8.7063 9.4449 9.4449 9.5261 9.5261 9.8245 9.8245 10.4622 10.4622 12.4869 12.4869 14.8095 14.8095 17.0246 17.0246 17.3087 17.3087 k = 0.0000 0.0000 0.2907 ( 2860 PWs) bands (ev): -1.1513 -1.1513 -0.0149 -0.0149 3.4584 3.4584 3.6103 3.6103 3.6309 3.6309 3.7360 3.7360 5.0569 5.0569 5.2077 5.2077 5.3373 5.3373 5.4762 5.4762 5.7212 5.7212 5.9050 5.9050 7.9771 7.9771 8.6743 8.6743 9.4720 9.4720 9.5243 9.5243 9.9022 9.9022 10.5529 10.5529 12.2960 12.2960 14.8000 14.8000 17.0312 17.0312 17.3556 17.3556 k = 0.0000 0.0000 0.2774 ( 2856 PWs) bands (ev): -1.2043 -1.2043 0.0480 0.0480 3.4569 3.4569 3.6109 3.6109 3.6322 3.6322 3.7663 3.7663 5.0519 5.0519 5.2232 5.2232 5.3231 5.3231 5.4786 5.4786 5.7035 5.7035 5.9009 5.9009 7.9246 7.9246 8.6398 8.6398 9.4916 9.4916 9.5239 9.5239 9.9937 9.9937 10.6383 10.6383 12.1165 12.1165 14.7731 14.7731 17.0395 17.0395 17.4061 17.4061 k = 0.0000 0.0000 0.2642 ( 2860 PWs) bands (ev): -1.2554 -1.2554 0.1096 0.1096 3.4563 3.4563 3.6112 3.6112 3.6335 3.6335 3.7977 3.7977 5.0467 5.0467 5.2395 5.2395 5.3095 5.3095 5.4820 5.4820 5.6862 5.6862 5.8952 5.8952 7.8744 7.8744 8.6043 8.6043 9.4995 9.4995 9.5307 9.5307 10.0953 10.0953 10.7119 10.7119 11.9555 11.9555 14.7321 14.7321 17.0495 17.0495 17.4598 17.4598 k = 0.0000 0.0000 0.2510 ( 2862 PWs) bands (ev): -1.3045 -1.3045 0.1697 0.1697 3.4562 3.4562 3.6113 3.6113 3.6346 3.6346 3.8298 3.8298 5.0412 5.0412 5.2560 5.2560 5.2975 5.2975 5.4868 5.4868 5.6693 5.6693 5.8880 5.8880 7.8263 7.8263 8.5691 8.5691 9.4985 9.4985 9.5429 9.5429 10.2040 10.2040 10.7632 10.7632 11.8241 11.8241 14.6798 14.6798 17.0607 17.0607 17.5166 17.5166 k = 0.0000 0.0000 0.2378 ( 2870 PWs) bands (ev): -1.3515 -1.3515 0.2282 0.2282 3.4568 3.4568 3.6114 3.6114 3.6356 3.6356 3.8622 3.8622 5.0353 5.0353 5.2685 5.2685 5.2911 5.2911 5.4941 5.4941 5.6529 5.6529 5.8794 5.8794 7.7799 7.7799 8.5347 8.5347 9.4949 9.4949 9.5549 9.5549 10.3170 10.3170 10.7782 10.7782 11.7374 11.7374 14.6189 14.6189 17.0729 17.0729 17.5758 17.5758 k = 0.0000 0.0000 0.2246 ( 2870 PWs) bands (ev): -1.3964 -1.3964 0.2847 0.2847 3.4577 3.4577 3.6113 3.6113 3.6363 3.6363 3.8944 3.8944 5.0289 5.0289 5.2662 5.2662 5.3015 5.3015 5.5046 5.5046 5.6371 5.6371 5.8695 5.8695 7.7350 7.7350 8.5018 8.5018 9.4909 9.4909 9.5647 9.5647 10.4302 10.4302 10.7483 10.7483 11.7078 11.7078 14.5513 14.5513 17.0858 17.0858 17.6364 17.6364 k = 0.0000 0.0000 0.2114 ( 2870 PWs) bands (ev): -1.4391 -1.4391 0.3392 0.3392 3.4590 3.4590 3.6111 3.6111 3.6369 3.6369 3.9260 3.9260 5.0220 5.0220 5.2582 5.2582 5.3191 5.3191 5.5194 5.5194 5.6221 5.6221 5.8583 5.8583 7.6911 7.6911 8.4706 8.4706 9.4869 9.4869 9.5716 9.5716 10.5245 10.5245 10.6944 10.6944 11.7328 11.7328 14.4787 14.4787 17.0990 17.0990 17.6951 17.6951 k = 0.0000 0.0000 0.1982 ( 2858 PWs) bands (ev): -1.4794 -1.4794 0.3914 0.3914 3.4606 3.4606 3.6108 3.6108 3.6371 3.6371 3.9566 3.9566 5.0144 5.0144 5.2506 5.2506 5.3373 5.3373 5.5394 5.5394 5.6083 5.6083 5.8460 5.8460 7.6477 7.6477 8.4413 8.4413 9.4830 9.4830 9.5748 9.5748 10.5024 10.5024 10.7288 10.7288 11.7977 11.7977 14.4024 14.4024 17.1123 17.1123 17.7393 17.7393 k = 0.0000 0.0000 0.1850 ( 2856 PWs) bands (ev): -1.5174 -1.5174 0.4413 0.4413 3.4623 3.4623 3.6103 3.6103 3.6372 3.6372 3.9857 3.9857 5.0063 5.0063 5.2444 5.2444 5.3549 5.3549 5.5631 5.5631 5.5985 5.5985 5.8326 5.8326 7.6042 7.6042 8.4141 8.4141 9.4792 9.4792 9.5731 9.5731 10.3917 10.3917 10.8396 10.8396 11.8877 11.8877 14.3235 14.3235 17.1254 17.1254 17.7275 17.7275 k = 0.0000 0.0000 0.1717 ( 2842 PWs) bands (ev): -1.5531 -1.5531 0.4885 0.4885 3.4641 3.4641 3.6096 3.6096 3.6370 3.6370 4.0129 4.0129 4.9976 4.9976 5.2398 5.2398 5.3713 5.3713 5.5711 5.5711 5.6128 5.6128 5.8183 5.8183 7.5601 7.5601 8.3889 8.3889 9.4752 9.4752 9.5648 9.5648 10.2682 10.2682 10.9628 10.9628 11.9924 11.9924 14.2429 14.2429 17.1380 17.1380 17.6422 17.6422 k = 0.0000 0.0000 0.1585 ( 2842 PWs) bands (ev): -1.5862 -1.5862 0.5329 0.5329 3.4660 3.4660 3.6087 3.6087 3.6365 3.6365 4.0380 4.0380 4.9885 4.9885 5.2367 5.2367 5.3866 5.3866 5.5615 5.5615 5.6533 5.6533 5.8032 5.8032 7.5147 7.5147 8.3657 8.3657 9.4699 9.4699 9.5477 9.5477 10.1503 10.1503 11.0889 11.0889 12.1055 12.1055 14.1612 14.1612 17.1498 17.1498 17.5247 17.5247 k = 0.0000 0.0000 0.1453 ( 2842 PWs) bands (ev): -1.6169 -1.6169 0.5745 0.5745 3.4678 3.4678 3.6076 3.6076 3.6359 3.6359 4.0608 4.0608 4.9792 4.9792 5.2351 5.2351 5.4010 5.4010 5.5501 5.5501 5.7044 5.7044 5.7874 5.7874 7.4673 7.4673 8.3447 8.3447 9.4597 9.4597 9.5212 9.5212 10.0482 10.0482 11.2156 11.2156 12.2229 12.2229 14.0792 14.0792 17.1608 17.1608 17.3951 17.3951 k = 0.0000 0.0000 0.1321 ( 2846 PWs) bands (ev): -1.6450 -1.6450 0.6129 0.6129 3.4696 3.4696 3.6062 3.6062 3.6351 3.6351 4.0812 4.0812 4.9698 4.9698 5.2348 5.2348 5.4151 5.4151 5.5387 5.5387 5.7604 5.7604 5.7744 5.7744 7.4172 7.4172 8.3257 8.3257 9.4305 9.4305 9.4961 9.4961 9.9684 9.9684 11.3415 11.3415 12.3418 12.3418 13.9974 13.9974 17.1706 17.1706 17.2603 17.2603 k = 0.0000 0.0000 0.1189 ( 2846 PWs) bands (ev): -1.6706 -1.6706 0.6482 0.6482 3.4712 3.4712 3.6047 3.6047 3.6343 3.6343 4.0991 4.0991 4.9605 4.9605 5.2354 5.2354 5.4290 5.4290 5.5280 5.5280 5.7527 5.7527 5.8321 5.8321 7.3634 7.3634 8.3087 8.3087 9.3711 9.3711 9.4847 9.4847 9.9124 9.9124 11.4656 11.4656 12.4594 12.4594 13.9165 13.9165 17.1238 17.1238 17.1799 17.1799 k = 0.0000 0.0000 0.1057 ( 2846 PWs) bands (ev): -1.6935 -1.6935 0.6802 0.6802 3.4727 3.4727 3.6031 3.6031 3.6334 3.6334 4.1147 4.1147 4.9515 4.9515 5.2369 5.2369 5.4430 5.4430 5.5180 5.5180 5.7354 5.7354 5.9058 5.9058 7.3054 7.3054 8.2937 8.2937 9.2944 9.2944 9.4800 9.4800 9.8762 9.8762 11.5869 11.5869 12.5736 12.5736 13.8373 13.8373 16.9899 16.9899 17.1875 17.1875 k = 0.0000 0.0000 0.0925 ( 2844 PWs) bands (ev): -1.7139 -1.7139 0.7087 0.7087 3.4740 3.4740 3.6014 3.6014 3.6325 3.6325 4.1280 4.1280 4.9431 4.9431 5.2389 5.2389 5.4569 5.4569 5.5093 5.5093 5.7175 5.7175 5.9858 5.9858 7.2424 7.2424 8.2806 8.2806 9.2127 9.2127 9.4775 9.4775 9.8538 9.8538 11.7042 11.7042 12.6815 12.6815 13.7611 13.7611 16.8608 16.8608 17.1942 17.1942 k = 0.0000 0.0000 0.0793 ( 2838 PWs) bands (ev): -1.7315 -1.7315 0.7336 0.7336 3.4751 3.4751 3.5996 3.5996 3.6317 3.6317 4.1392 4.1392 4.9353 4.9353 5.2413 5.2413 5.4702 5.4702 5.5025 5.5025 5.6995 5.6995 6.0713 6.0713 7.1739 7.1739 8.2694 8.2694 9.1334 9.1334 9.4759 9.4759 9.8400 9.8400 11.8159 11.8159 12.7803 12.7803 13.6894 13.6894 16.7394 16.7394 17.1999 17.1999 k = 0.0000 0.0000 0.0661 ( 2834 PWs) bands (ev): -1.7465 -1.7465 0.7549 0.7549 3.4760 3.4760 3.5980 3.5980 3.6310 3.6310 4.1485 4.1485 4.9284 4.9284 5.2437 5.2437 5.4793 5.4793 5.5013 5.5013 5.6813 5.6813 6.1614 6.1614 7.0998 7.0998 8.2600 8.2600 9.0615 9.0615 9.4748 9.4748 9.8316 9.8316 11.9201 11.9201 12.8666 12.8666 13.6246 13.6246 16.6289 16.6289 17.2047 17.2047 k = 0.0000 0.0000 0.0528 ( 2832 PWs) bands (ev): -1.7588 -1.7588 0.7725 0.7725 3.4767 3.4767 3.5965 3.5965 3.6304 3.6304 4.1558 4.1558 4.9225 4.9225 5.2461 5.2461 5.4794 5.4794 5.5105 5.5105 5.6633 5.6633 6.2552 6.2552 7.0200 7.0200 8.2523 8.2523 9.0001 9.0001 9.4740 9.4740 9.8265 9.8265 12.0144 12.0144 12.9366 12.9366 13.5697 13.5697 16.5322 16.5322 17.2085 17.2085 k = 0.0000 0.0000 0.0396 ( 2833 PWs) bands (ev): -1.7684 -1.7684 0.7862 0.7862 3.4772 3.4772 3.5952 3.5952 3.6299 3.6299 4.1615 4.1615 4.9177 4.9177 5.2482 5.2482 5.4760 5.4760 5.5244 5.5244 5.6458 5.6458 6.3515 6.3515 6.9350 6.9350 8.2464 8.2464 8.9509 8.9509 9.4735 9.4735 9.8234 9.8234 12.0953 12.0953 12.9871 12.9871 13.5280 13.5280 16.4525 16.4525 17.2115 17.2115 k = 0.0000 0.0000 0.0264 ( 2831 PWs) bands (ev): -1.7752 -1.7752 0.7961 0.7961 3.4776 3.4776 3.5943 3.5943 3.6295 3.6295 4.1654 4.1654 4.9143 4.9143 5.2498 5.2498 5.4729 5.4729 5.5388 5.5388 5.6294 5.6294 6.4490 6.4490 6.8458 6.8458 8.2422 8.2422 8.9153 8.9153 9.4732 9.4732 9.8216 9.8216 12.1586 12.1586 13.0176 13.0176 13.5010 13.5010 16.3930 16.3930 17.2136 17.2136 k = 0.0000 0.0000 0.0132 ( 2827 PWs) bands (ev): -1.7793 -1.7793 0.8020 0.8020 3.4778 3.4778 3.5937 3.5937 3.6293 3.6293 4.1678 4.1678 4.9122 4.9122 5.2509 5.2509 5.4708 5.4708 5.5512 5.5512 5.6159 5.6159 6.5449 6.5449 6.7550 6.7550 8.2397 8.2397 8.8937 8.8937 9.4730 9.4730 9.8207 9.8207 12.1994 12.1994 13.0318 13.0318 13.4873 13.4873 16.3561 16.3561 17.2149 17.2149 k = 0.0000 0.0000 0.0000 ( 2819 PWs) bands (ev): -1.7807 -1.7807 0.8040 0.8040 3.4779 3.4779 3.5935 3.5935 3.6292 3.6292 4.1686 4.1686 4.9114 4.9114 5.2512 5.2512 5.4701 5.4701 5.5568 5.5568 5.6100 5.6100 6.6129 6.6129 6.6887 6.6887 8.2389 8.2389 8.8864 8.8864 9.4729 9.4729 9.8204 9.8204 12.2135 12.2135 13.0356 13.0356 13.4834 13.4834 16.3436 16.3436 17.2153 17.2153 k = 0.0000 0.0000 0.0000 ( 2819 PWs) bands (ev): -1.7807 -1.7807 0.8040 0.8040 3.4779 3.4779 3.5935 3.5935 3.6292 3.6292 4.1686 4.1686 4.9114 4.9114 5.2512 5.2512 5.4701 5.4701 5.5568 5.5568 5.6100 5.6100 6.6129 6.6129 6.6887 6.6887 8.2389 8.2389 8.8864 8.8864 9.4729 9.4729 9.8204 9.8204 12.2135 12.2135 13.0356 13.0356 13.4834 13.4834 16.3436 16.3436 17.2153 17.2153 k =-0.0098 0.0089 0.0000 ( 2813 PWs) bands (ev): -1.7794 -1.7794 0.8040 0.8040 3.4776 3.4776 3.5935 3.5935 3.6290 3.6290 4.1681 4.1681 4.9110 4.9110 5.2508 5.2508 5.4677 5.4677 5.5563 5.5563 5.6106 5.6106 6.6150 6.6150 6.6902 6.6902 8.2202 8.2202 8.9099 8.9099 9.4593 9.4593 9.8328 9.8328 12.1986 12.1986 13.0467 13.0467 13.4818 13.4818 16.3510 16.3510 17.2178 17.2178 k =-0.0196 0.0178 0.0000 ( 2819 PWs) bands (ev): -1.7756 -1.7756 0.8040 0.8040 3.4769 3.4769 3.5936 3.5936 3.6284 3.6284 4.1666 4.1666 4.9096 4.9096 5.2495 5.2495 5.4608 5.4608 5.5550 5.5550 5.6119 5.6119 6.6201 6.6201 6.6957 6.6957 8.1707 8.1707 8.9734 8.9734 9.4231 9.4231 9.8657 9.8657 12.1570 12.1570 13.0735 13.0735 13.4804 13.4804 16.3725 16.3725 17.2248 17.2248 k =-0.0294 0.0266 0.0000 ( 2831 PWs) bands (ev): -1.7692 -1.7692 0.8039 0.8039 3.4757 3.4757 3.5937 3.5937 3.6273 3.6273 4.1641 4.1641 4.9073 4.9073 5.2473 5.2473 5.4495 5.4495 5.5534 5.5534 5.6138 5.6138 6.6248 6.6248 6.7083 6.7083 8.1035 8.1035 9.0636 9.0636 9.3723 9.3723 9.9113 9.9113 12.0960 12.0960 13.0984 13.0984 13.4902 13.4902 16.4051 16.4051 17.2365 17.2365 k =-0.0392 0.0355 0.0000 ( 2831 PWs) bands (ev): -1.7603 -1.7603 0.8038 0.8038 3.4740 3.4740 3.5938 3.5938 3.6258 3.6258 4.1607 4.1607 4.9042 4.9042 5.2443 5.2443 5.4346 5.4346 5.5515 5.5515 5.6159 5.6159 6.6260 6.6260 6.7310 6.7310 8.0282 8.0282 9.1694 9.1694 9.3131 9.3131 9.9644 9.9644 12.0229 12.0229 13.1007 13.1007 13.5259 13.5259 16.4432 16.4432 17.2516 17.2516 k =-0.0490 0.0444 0.0000 ( 2827 PWs) bands (ev): -1.7489 -1.7489 0.8036 0.8036 3.4718 3.4718 3.5939 3.5939 3.6240 3.6240 4.1565 4.1565 4.9002 4.9002 5.2404 5.2404 5.4168 5.4168 5.5496 5.5496 5.6179 5.6179 6.6228 6.6228 6.7638 6.7638 7.9506 7.9506 9.2433 9.2433 9.2895 9.2895 10.0226 10.0226 11.9430 11.9430 13.0709 13.0709 13.5929 13.5929 16.4763 16.4763 17.2642 17.2642 k =-0.0588 0.0533 0.0000 ( 2827 PWs) bands (ev): -1.7351 -1.7351 0.8032 0.8032 3.4692 3.4692 3.5939 3.5939 3.6220 3.6220 4.1517 4.1517 4.8954 4.8954 5.2355 5.2355 5.3971 5.3971 5.5474 5.5474 5.6198 5.6198 6.6164 6.6164 6.8056 6.8056 7.8739 7.8739 9.1773 9.1773 9.4059 9.4059 10.0858 10.0858 11.8597 11.8597 13.0141 13.0141 13.6837 13.6837 16.4866 16.4866 17.2348 17.2348 k =-0.0686 0.0622 0.0000 ( 2831 PWs) bands (ev): -1.7187 -1.7187 0.8025 0.8025 3.4661 3.4661 3.5938 3.5938 3.6198 3.6198 4.1462 4.1462 4.8898 4.8898 5.2295 5.2295 5.3762 5.3762 5.5450 5.5450 5.6216 5.6216 6.6075 6.6075 6.8547 6.8547 7.7998 7.7998 9.1060 9.1060 9.5243 9.5243 10.1552 10.1552 11.7754 11.7754 12.9383 12.9383 13.7884 13.7884 16.4511 16.4511 17.1952 17.1952 k =-0.0784 0.0711 0.0000 ( 2821 PWs) bands (ev): -1.7000 -1.7000 0.8015 0.8015 3.4625 3.4625 3.5934 3.5934 3.6176 3.6176 4.1403 4.1403 4.8835 4.8835 5.2222 5.2222 5.3553 5.3553 5.5422 5.5422 5.6235 5.6235 6.5970 6.5970 6.9103 6.9103 7.7292 7.7292 9.0326 9.0326 9.6378 9.6378 10.2331 10.2331 11.6912 11.6912 12.8497 12.8497 13.8999 13.8999 16.3602 16.3602 17.2061 17.2061 k =-0.0882 0.0799 0.0000 ( 2825 PWs) bands (ev): -1.6788 -1.6788 0.8000 0.8000 3.4586 3.4586 3.5926 3.5926 3.6156 3.6156 4.1342 4.1342 4.8765 4.8765 5.2131 5.2131 5.3352 5.3352 5.5390 5.5390 5.6254 5.6254 6.5854 6.5854 6.9715 6.9715 7.6625 7.6625 8.9574 8.9574 9.7414 9.7414 10.3226 10.3226 11.6082 11.6082 12.7521 12.7521 14.0125 14.0125 16.2282 16.2282 17.2612 17.2612 k =-0.0980 0.0888 0.0000 ( 2819 PWs) bands (ev): -1.6554 -1.6554 0.7981 0.7981 3.4542 3.4542 3.5912 3.5912 3.6140 3.6140 4.1279 4.1279 4.8690 4.8690 5.2019 5.2019 5.3169 5.3169 5.5352 5.5352 5.6275 5.6275 6.5729 6.5729 7.0376 7.0376 7.6000 7.6000 8.8810 8.8810 9.8315 9.8315 10.4260 10.4260 11.5268 11.5268 12.6481 12.6481 14.1215 14.1215 16.0763 16.0763 17.3403 17.3403 k =-0.1078 0.0977 0.0000 ( 2823 PWs) bands (ev): -1.6296 -1.6296 0.7955 0.7955 3.4496 3.4496 3.5891 3.5891 3.6131 3.6131 4.1216 4.1216 4.8610 4.8610 5.1881 5.1881 5.3012 5.3012 5.5308 5.5308 5.6298 5.6298 6.5599 6.5599 7.1083 7.1083 7.5416 7.5416 8.8036 8.8036 9.9063 9.9063 10.5434 10.5434 11.4474 11.4474 12.5395 12.5395 14.2212 14.2212 15.9210 15.9210 17.4259 17.4259 k =-0.1176 0.1066 0.0000 ( 2822 PWs) bands (ev): -1.6017 -1.6017 0.7922 0.7922 3.4446 3.4446 3.5862 3.5862 3.6128 3.6128 4.1156 4.1156 4.8526 4.8526 5.1720 5.1720 5.2885 5.2885 5.5260 5.5260 5.6324 5.6324 6.5467 6.5467 7.1829 7.1829 7.4874 7.4874 8.7253 8.7253 9.9664 9.9664 10.6726 10.6726 11.3706 11.3706 12.4279 12.4279 14.3048 14.3048 15.7751 15.7751 17.5063 17.5063 k =-0.1275 0.1155 0.0000 ( 2830 PWs) bands (ev): -1.5715 -1.5715 0.7880 0.7880 3.4395 3.4395 3.5828 3.5828 3.6131 3.6131 4.1099 4.1099 4.8439 4.8439 5.1539 5.1539 5.2787 5.2787 5.5206 5.5206 5.6353 5.6353 6.5336 6.5336 7.2613 7.2613 7.4372 7.4372 8.6465 8.6465 10.0137 10.0137 10.8090 10.8090 11.2974 11.2974 12.3143 12.3143 14.3633 14.3633 15.6501 15.6501 17.5802 17.5802 k =-0.1373 0.1244 0.0000 ( 2824 PWs) bands (ev): -1.5394 -1.5394 0.7830 0.7830 3.4342 3.4342 3.5789 3.5789 3.6139 3.6139 4.1048 4.1048 4.8349 4.8349 5.1346 5.1346 5.2713 5.2713 5.5150 5.5150 5.6384 5.6384 6.5206 6.5206 7.3431 7.3431 7.3909 7.3909 8.5672 8.5672 10.0503 10.0503 10.9439 10.9439 11.2325 11.2325 12.1997 12.1997 14.3876 14.3876 15.5564 15.5564 17.6517 17.6517 k =-0.1471 0.1332 0.0000 ( 2824 PWs) bands (ev): -1.5052 -1.5052 0.7769 0.7769 3.4289 3.4289 3.5749 3.5749 3.6151 3.6151 4.1003 4.1003 4.8259 4.8259 5.1150 5.1150 5.2657 5.2657 5.5090 5.5090 5.6419 5.6419 6.5081 6.5081 7.3479 7.3479 7.4280 7.4280 8.4877 8.4877 10.0780 10.0780 11.0424 11.0424 11.2065 11.2065 12.0851 12.0851 14.3726 14.3726 15.4998 15.4998 17.7239 17.7239 k =-0.1569 0.1421 0.0000 ( 2824 PWs) bands (ev): -1.4691 -1.4691 0.7697 0.7697 3.4236 3.4236 3.5708 3.5708 3.6165 3.6165 4.0966 4.0966 4.8168 4.8168 5.0955 5.0955 5.2616 5.2616 5.5029 5.5029 5.6457 5.6457 6.4960 6.4960 7.3085 7.3085 7.5156 7.5156 8.4081 8.4081 10.0982 10.0982 11.0288 11.0288 11.2908 11.2908 11.9712 11.9712 14.3223 14.3223 15.4762 15.4762 17.7980 17.7980 k =-0.1667 0.1510 0.0000 ( 2824 PWs) bands (ev): -1.4312 -1.4312 0.7614 0.7614 3.4186 3.4186 3.5668 3.5668 3.6181 3.6181 4.0938 4.0938 4.8077 4.8077 5.0769 5.0769 5.2587 5.2587 5.4967 5.4967 5.6497 5.6497 6.4845 6.4845 7.2722 7.2722 7.6057 7.6057 8.3288 8.3288 10.1117 10.1117 10.9677 10.9677 11.4156 11.4156 11.8593 11.8593 14.2494 14.2494 15.4731 15.4731 17.8741 17.8741 k =-0.1765 0.1599 0.0000 ( 2820 PWs) bands (ev): -1.3917 -1.3917 0.7520 0.7520 3.4138 3.4138 3.5629 3.5629 3.6200 3.6200 4.0920 4.0920 4.7987 4.7987 5.0594 5.0594 5.2567 5.2567 5.4907 5.4907 5.6541 5.6541 6.4737 6.4737 7.2389 7.2389 7.6977 7.6977 8.2500 8.2500 10.1191 10.1191 10.8979 10.8979 11.5346 11.5346 11.7520 11.7520 14.1696 14.1696 15.4758 15.4758 17.9508 17.9508 k =-0.1863 0.1688 0.0000 ( 2820 PWs) bands (ev): -1.3506 -1.3506 0.7414 0.7414 3.4094 3.4094 3.5593 3.5593 3.6220 3.6220 4.0913 4.0913 4.7898 4.7898 5.0435 5.0435 5.2555 5.2555 5.4848 5.4848 5.6587 5.6587 6.4635 6.4635 7.2084 7.2084 7.7906 7.7906 8.1727 8.1727 10.1210 10.1210 10.8248 10.8248 11.6011 11.6011 11.6851 11.6851 14.0973 14.0973 15.4721 15.4721 18.0224 18.0224 k =-0.1961 0.1777 0.0000 ( 2824 PWs) bands (ev): -1.3081 -1.3081 0.7296 0.7296 3.4054 3.4054 3.5560 3.5560 3.6241 3.6241 4.0917 4.0917 4.7811 4.7811 5.0293 5.0293 5.2549 5.2549 5.4792 5.4792 5.6635 5.6635 6.4541 6.4541 7.1804 7.1804 7.8810 7.8810 8.1004 8.1004 10.1175 10.1175 10.7493 10.7493 11.5207 11.5207 11.7462 11.7462 14.0441 14.0441 15.4539 15.4539 18.0658 18.0658 k =-0.2059 0.1865 0.0000 ( 2832 PWs) bands (ev): -1.2643 -1.2643 0.7166 0.7166 3.4019 3.4019 3.5531 3.5531 3.6264 3.6264 4.0934 4.0934 4.7726 4.7726 5.0172 5.0172 5.2548 5.2548 5.4741 5.4741 5.6687 5.6687 6.4454 6.4454 7.1548 7.1548 7.9430 7.9430 8.0587 8.0587 10.1091 10.1091 10.6713 10.6713 11.4211 11.4211 11.8023 11.8023 14.0187 14.0187 15.4174 15.4174 18.0521 18.0521 k =-0.2157 0.1954 0.0000 ( 2836 PWs) bands (ev): -1.2194 -1.2194 0.7026 0.7026 3.3990 3.3990 3.5506 3.5506 3.6288 3.6288 4.0963 4.0963 4.7643 4.7643 5.0073 5.0073 5.2553 5.2553 5.4694 5.4694 5.6741 5.6741 6.4373 6.4373 7.1314 7.1314 7.9079 7.9079 8.1162 8.1162 10.0958 10.0958 10.5904 10.5904 11.3232 11.3232 11.8296 11.8296 14.0253 14.0253 15.3626 15.3626 18.0078 18.0078 k =-0.2255 0.2043 0.0000 ( 2838 PWs) bands (ev): -1.1735 -1.1735 0.6877 0.6877 3.3967 3.3967 3.5487 3.5487 3.6313 3.6313 4.1005 4.1005 4.7563 4.7563 4.9997 4.9997 5.2562 5.2562 5.4654 5.4654 5.6798 5.6798 6.4300 6.4300 7.1099 7.1099 7.8377 7.8377 8.2106 8.2106 10.0779 10.0779 10.5062 10.5062 11.2291 11.2291 11.8268 11.8268 14.0625 14.0625 15.2933 15.2933 17.9507 17.9507 k =-0.2353 0.2132 0.0000 ( 2840 PWs) bands (ev): -1.1269 -1.1269 0.6718 0.6718 3.3950 3.3950 3.5472 3.5472 3.6340 3.6340 4.1059 4.1059 4.7485 4.7485 4.9945 4.9945 5.2575 5.2575 5.4621 5.4621 5.6858 5.6858 6.4232 6.4232 7.0903 7.0903 7.7629 7.7629 8.3115 8.3115 10.0555 10.0555 10.4185 10.4185 11.1392 11.1392 11.7975 11.7975 14.1222 14.1222 15.2176 15.2176 17.8673 17.8673 k =-0.2451 0.2221 0.0000 ( 2840 PWs) bands (ev): -1.0797 -1.0797 0.6553 0.6553 3.3940 3.3940 3.5462 3.5462 3.6369 3.6369 4.1126 4.1126 4.7411 4.7411 4.9917 4.9917 5.2592 5.2592 5.4595 5.4595 5.6920 5.6920 6.4170 6.4170 7.0723 7.0723 7.6874 7.6874 8.4145 8.4145 10.0288 10.0288 10.3272 10.3272 11.0541 11.0541 11.7474 11.7474 14.1885 14.1885 15.1494 15.1494 17.7355 17.7355 k =-0.2549 0.2310 0.0000 ( 2832 PWs) bands (ev): -1.0323 -1.0323 0.6383 0.6383 3.3938 3.3938 3.5457 3.5457 3.6400 3.6400 4.1205 4.1205 4.7342 4.7342 4.9914 4.9914 5.2612 5.2612 5.4578 5.4578 5.6986 5.6986 6.4114 6.4114 7.0557 7.0557 7.6120 7.6120 8.5183 8.5183 9.9981 9.9981 10.2325 10.2325 10.9740 10.9740 11.6831 11.6831 14.2369 14.2369 15.1108 15.1108 17.5766 17.5766 k =-0.2647 0.2398 0.0000 ( 2832 PWs) bands (ev): -0.9847 -0.9847 0.6208 0.6208 3.3942 3.3942 3.5456 3.5456 3.6434 3.6434 4.1295 4.1295 4.7277 4.7277 4.9934 4.9934 5.2635 5.2635 5.4570 5.4570 5.7054 5.7054 6.4062 6.4062 7.0402 7.0402 7.5373 7.5373 8.6219 8.6219 9.9636 9.9636 10.1351 10.1351 10.8990 10.8990 11.6101 11.6101 14.2395 14.2395 15.1270 15.1270 17.4075 17.4075 k =-0.2745 0.2487 0.0000 ( 2834 PWs) bands (ev): -0.9373 -0.9373 0.6033 0.6033 3.3954 3.3954 3.5459 3.5459 3.6472 3.6472 4.1395 4.1395 4.7217 4.7217 4.9977 4.9977 5.2662 5.2662 5.4572 5.4572 5.7126 5.7126 6.4015 6.4015 7.0255 7.0255 7.4635 7.4635 8.7242 8.7242 9.9247 9.9247 10.0372 10.0372 10.8293 10.8293 11.5328 11.5328 14.1846 14.1846 15.2073 15.2073 17.2346 17.2346 k =-0.2843 0.2576 0.0000 ( 2838 PWs) bands (ev): -0.8903 -0.8903 0.5858 0.5858 3.3974 3.3974 3.5466 3.5466 3.6514 3.6514 4.1503 4.1503 4.7164 4.7164 5.0042 5.0042 5.2691 5.2691 5.4584 5.4584 5.7201 5.7201 6.3971 6.3971 7.0115 7.0115 7.3907 7.3907 8.8239 8.8239 9.8753 9.8753 9.9466 9.9466 10.7649 10.7649 11.4543 11.4543 14.0845 14.0845 15.3377 15.3377 17.0618 17.0618 k =-0.2941 0.2665 0.0000 ( 2838 PWs) bands (ev): -0.8439 -0.8439 0.5686 0.5686 3.4001 3.4001 3.5475 3.5475 3.6561 3.6561 4.1618 4.1618 4.7118 4.7118 5.0126 5.0126 5.2722 5.2722 5.4606 5.4606 5.7279 5.7279 6.3929 6.3929 6.9977 6.9977 7.3191 7.3191 8.9189 8.9189 9.7977 9.7977 9.8847 9.8847 10.7060 10.7060 11.3766 11.3766 13.9566 13.9566 15.4974 15.4974 16.8931 16.8931 k =-0.3039 0.2754 0.0000 ( 2838 PWs) bands (ev): -0.7986 -0.7986 0.5519 0.5519 3.4037 3.4037 3.5486 3.5486 3.6615 3.6615 4.1738 4.1738 4.7080 4.7080 5.0228 5.0228 5.2757 5.2757 5.4640 5.4640 5.7362 5.7362 6.3890 6.3890 6.9837 6.9837 7.2488 7.2488 9.0062 9.0062 9.6996 9.6996 9.8476 9.8476 10.6525 10.6525 11.3007 11.3007 13.8137 13.8137 15.6680 15.6680 16.7352 16.7352 k =-0.3137 0.2842 0.0000 ( 2836 PWs) bands (ev): -0.7545 -0.7545 0.5359 0.5359 3.4080 3.4080 3.5498 3.5498 3.6678 3.6678 4.1860 4.1860 4.7051 4.7051 5.0345 5.0345 5.2794 5.2794 5.4686 5.4686 5.7449 5.7449 6.3852 6.3852 6.9691 6.9691 7.1799 7.1799 9.0818 9.0818 9.5977 9.5977 9.8246 9.8246 10.6047 10.6047 11.2272 11.2272 13.6632 13.6632 15.8266 15.8266 16.6041 16.6041 k =-0.3235 0.2931 0.0000 ( 2834 PWs) bands (ev): -0.7120 -0.7120 0.5209 0.5209 3.4130 3.4130 3.5510 3.5510 3.6750 3.6750 4.1981 4.1981 4.7031 4.7031 5.0473 5.0473 5.2834 5.2834 5.4744 5.4744 5.7540 5.7540 6.3815 6.3815 6.9534 6.9534 7.1125 7.1125 9.1402 9.1402 9.4970 9.4970 9.8171 9.8171 10.5630 10.5630 11.1559 11.1559 13.5101 13.5101 15.9269 15.9269 16.5422 16.5422 k =-0.3333 0.3020 0.0000 ( 2838 PWs) bands (ev): -0.6713 -0.6713 0.5071 0.5071 3.4187 3.4187 3.5523 3.5523 3.6834 3.6834 4.2099 4.2099 4.7020 4.7020 5.0611 5.0611 5.2877 5.2877 5.4814 5.4814 5.7636 5.7636 6.3777 6.3777 6.9360 6.9360 7.0470 7.0470 9.1766 9.1766 9.4002 9.4002 9.8286 9.8286 10.5280 10.5280 11.0866 11.0866 13.3575 13.3575 15.9119 15.9119 16.6038 16.6038 k =-0.3431 0.3109 0.0000 ( 2846 PWs) bands (ev): -0.6328 -0.6328 0.4946 0.4946 3.4249 3.4249 3.5536 3.5536 3.6932 3.6932 4.2211 4.2211 4.7019 4.7019 5.0754 5.0754 5.2924 5.2924 5.4897 5.4897 5.7738 5.7738 6.3736 6.3736 6.9162 6.9162 6.9835 6.9835 9.1890 9.1890 9.3096 9.3096 9.8590 9.8590 10.5007 10.5007 11.0190 11.0190 13.2076 13.2076 15.8067 15.8067 16.7620 16.7620 k =-0.3529 0.3198 0.0000 ( 2838 PWs) bands (ev): -0.5966 -0.5966 0.4836 0.4836 3.4316 3.4316 3.5548 3.5548 3.7046 3.7046 4.2314 4.2314 4.7028 4.7028 5.0899 5.0899 5.2973 5.2973 5.4994 5.4994 5.7845 5.7845 6.3693 6.3693 6.8924 6.8924 6.9234 6.9234 9.1786 9.1786 9.2289 9.2289 9.9031 9.9031 10.4830 10.4830 10.9528 10.9528 13.0626 13.0626 15.6655 15.6655 16.9614 16.9614 k =-0.3627 0.3287 0.0000 ( 2838 PWs) bands (ev): -0.5630 -0.5630 0.4743 0.4743 3.4384 3.4384 3.5560 3.5560 3.7178 3.7178 4.2404 4.2404 4.7047 4.7047 5.1043 5.1043 5.3026 5.3026 5.5104 5.5104 5.7958 5.7958 6.3643 6.3643 6.8544 6.8544 6.8765 6.8765 9.1378 9.1378 9.1729 9.1729 9.9521 9.9521 10.4771 10.4771 10.8883 10.8883 12.9238 12.9238 15.5120 15.5120 17.1763 17.1763 k =-0.3725 0.3375 0.0000 ( 2838 PWs) bands (ev): -0.5322 -0.5322 0.4666 0.4666 3.4453 3.4453 3.5571 3.5571 3.7329 3.7329 4.2479 4.2479 4.7076 4.7076 5.1181 5.1181 5.3082 5.3082 5.5228 5.5228 5.8078 5.8078 6.3586 6.3586 6.8000 6.8000 6.8451 6.8451 9.0779 9.0779 9.1369 9.1369 9.9964 9.9964 10.4847 10.4847 10.8271 10.8271 12.7925 12.7925 15.3551 15.3551 17.3847 17.3847 k =-0.3824 0.3464 0.0000 ( 2830 PWs) bands (ev): -0.5043 -0.5043 0.4607 0.4607 3.4521 3.4521 3.5581 3.5581 3.7502 3.7502 4.2535 4.2535 4.7115 4.7115 5.1312 5.1312 5.3141 5.3141 5.5366 5.5366 5.8205 5.8205 6.3518 6.3518 6.7453 6.7453 6.8132 6.8132 9.0249 9.0249 9.1002 9.1002 10.0293 10.0293 10.5025 10.5025 10.7745 10.7745 12.6700 12.6700 15.1987 15.1987 17.4124 17.4124 k =-0.3922 0.3553 0.0000 ( 2836 PWs) bands (ev): -0.4793 -0.4793 0.4563 0.4563 3.4585 3.4585 3.5591 3.5591 3.7697 3.7697 4.2571 4.2571 4.7162 4.7162 5.1433 5.1433 5.3202 5.3202 5.5518 5.5518 5.8338 5.8338 6.3437 6.3437 6.6925 6.6925 6.7789 6.7789 8.9827 8.9827 9.0623 9.0623 10.0486 10.0486 10.5138 10.5138 10.7458 10.7458 12.5571 12.5571 15.0451 15.0451 17.3951 17.3951 k =-0.4020 0.3642 0.0000 ( 2834 PWs) bands (ev): -0.4573 -0.4573 0.4536 0.4536 3.4644 3.4644 3.5599 3.5599 3.7914 3.7914 4.2584 4.2584 4.7216 4.7216 5.1541 5.1541 5.3265 5.3265 5.5683 5.5683 5.8477 5.8477 6.3338 6.3338 6.6420 6.6420 6.7429 6.7429 8.9519 8.9519 9.0250 9.0250 10.0563 10.0563 10.4930 10.4930 10.7625 10.7625 12.4544 12.4544 14.8957 14.8957 17.3780 17.3780 k =-0.4118 0.3731 0.0000 ( 2834 PWs) bands (ev): -0.4382 -0.4382 0.4522 0.4522 3.4698 3.4698 3.5607 3.5607 3.8151 3.8151 4.2572 4.2572 4.7276 4.7276 5.1637 5.1637 5.3328 5.3328 5.5861 5.5861 5.8621 5.8621 6.3219 6.3219 6.5938 6.5938 6.7062 6.7062 8.9316 8.9316 8.9902 8.9902 10.0559 10.0559 10.4411 10.4411 10.8182 10.8182 12.3624 12.3624 14.7521 14.7521 17.3622 17.3622 k =-0.4216 0.3820 0.0000 ( 2840 PWs) bands (ev): -0.4218 -0.4218 0.4519 0.4519 3.4746 3.4746 3.5614 3.5614 3.8406 3.8406 4.2536 4.2536 4.7340 4.7340 5.1719 5.1719 5.3389 5.3389 5.6050 5.6050 5.8770 5.8770 6.3079 6.3079 6.5474 6.5474 6.6706 6.6706 8.9185 8.9185 8.9617 8.9617 10.0506 10.0506 10.3742 10.3742 10.8924 10.8924 12.2812 12.2812 14.6155 14.6155 17.3479 17.3479 k =-0.4314 0.3908 0.0000 ( 2840 PWs) bands (ev): -0.4081 -0.4081 0.4526 0.4526 3.4787 3.4787 3.5621 3.5621 3.8675 3.8675 4.2473 4.2473 4.7406 4.7406 5.1788 5.1788 5.3447 5.3447 5.6249 5.6249 5.8918 5.8918 6.2919 6.2919 6.5025 6.5025 6.6380 6.6380 8.9027 8.9027 8.9488 8.9488 10.0428 10.0428 10.3016 10.3016 10.9729 10.9729 12.2109 12.2109 14.4875 14.4875 17.3354 17.3354 k =-0.4412 0.3997 0.0000 ( 2852 PWs) bands (ev): -0.3967 -0.3967 0.4539 0.4539 3.4821 3.4821 3.5626 3.5626 3.8954 3.8954 4.2386 4.2386 4.7470 4.7470 5.1845 5.1845 5.3500 5.3500 5.6454 5.6454 5.9063 5.9063 6.2747 6.2747 6.4588 6.4588 6.6097 6.6097 8.8803 8.8803 8.9546 8.9546 10.0337 10.0337 10.2282 10.2282 11.0531 11.0531 12.1511 12.1511 14.3698 14.3698 17.3245 17.3245 k =-0.4510 0.4086 0.0000 ( 2864 PWs) bands (ev): -0.3876 -0.3876 0.4555 0.4555 3.4850 3.4850 3.5631 3.5631 3.9235 3.9235 4.2276 4.2276 4.7530 4.7530 5.1891 5.1891 5.3547 5.3547 5.6661 5.6661 5.9198 5.9198 6.2578 6.2578 6.4162 6.4162 6.5867 6.5867 8.8577 8.8577 8.9710 8.9710 10.0238 10.0238 10.1579 10.1579 11.1289 11.1289 12.1016 12.1016 14.2643 14.2643 17.3153 17.3153 k =-0.4608 0.4175 0.0000 ( 2860 PWs) bands (ev): -0.3804 -0.3804 0.4573 0.4573 3.4872 3.4872 3.5635 3.5635 3.9510 3.9510 4.2148 4.2148 4.7584 4.7584 5.1927 5.1927 5.3586 5.3586 5.6861 5.6861 5.9315 5.9315 6.2432 6.2432 6.3754 6.3754 6.5690 6.5690 8.8381 8.8381 8.9927 8.9927 10.0118 10.0118 10.0955 10.0955 11.1966 11.1966 12.0619 12.0619 14.1733 14.1733 17.3078 17.3078 k =-0.4706 0.4264 0.0000 ( 2868 PWs) bands (ev): -0.3751 -0.3751 0.4589 0.4589 3.4890 3.4890 3.5638 3.5638 3.9766 3.9766 4.2011 4.2011 4.7629 4.7629 5.1953 5.1953 5.3618 5.3618 5.7044 5.7044 5.9404 5.9404 6.2334 6.2334 6.3375 6.3375 6.5561 6.5561 8.8222 8.8222 9.0159 9.0159 9.9923 9.9923 10.0505 10.0505 11.2533 11.2533 12.0316 12.0316 14.0991 14.0991 17.3020 17.3020 k =-0.4804 0.4353 0.0000 ( 2876 PWs) bands (ev): -0.3714 -0.3714 0.4602 0.4602 3.4901 3.4901 3.5641 3.5641 3.9986 3.9986 4.1879 4.1879 4.7663 4.7663 5.1971 5.1971 5.3640 5.3640 5.7195 5.7195 5.9461 5.9461 6.2306 6.2306 6.3036 6.3036 6.5475 6.5475 8.8107 8.8107 9.0367 9.0367 9.9626 9.9626 10.0297 10.0297 11.2961 11.2961 12.0103 12.0103 14.0440 14.0440 17.2977 17.2977 k =-0.4902 0.4441 0.0000 ( 2876 PWs) bands (ev): -0.3692 -0.3692 0.4610 0.4610 3.4909 3.4909 3.5642 3.5642 4.0141 4.0141 4.1778 4.1778 4.7684 4.7684 5.1982 5.1982 5.3654 5.3654 5.7297 5.7297 5.9489 5.9489 6.2358 6.2358 6.2754 6.2754 6.5425 6.5425 8.8037 8.8037 9.0512 9.0512 9.9378 9.9378 10.0220 10.0220 11.3228 11.3228 11.9977 11.9977 14.0100 14.0100 17.2952 17.2952 k =-0.5000 0.4530 0.0000 ( 2868 PWs) bands (ev): -0.3685 -0.3685 0.4613 0.4613 3.4911 3.4911 3.5643 3.5643 4.0199 4.0199 4.1738 4.1738 4.7691 4.7691 5.1985 5.1985 5.3659 5.3659 5.7333 5.7333 5.9497 5.9497 6.2446 6.2446 6.2588 6.2588 6.5409 6.5409 8.8014 8.8014 9.0564 9.0564 9.9287 9.9287 10.0199 10.0199 11.3319 11.3319 11.9935 11.9935 13.9985 13.9985 17.2944 17.2944 k =-0.5000 0.4530 0.0000 ( 2868 PWs) bands (ev): -0.3685 -0.3685 0.4613 0.4613 3.4911 3.4911 3.5643 3.5643 4.0199 4.0199 4.1738 4.1738 4.7691 4.7691 5.1985 5.1985 5.3659 5.3659 5.7333 5.7333 5.9497 5.9497 6.2446 6.2446 6.2588 6.2588 6.5409 6.5409 8.8014 8.8014 9.0564 9.0564 9.9287 9.9287 10.0199 10.0199 11.3319 11.3319 11.9935 11.9935 13.9985 13.9985 17.2944 17.2944 k =-0.4925 0.4613-0.0000 ( 2870 PWs) bands (ev): -0.3687 -0.3687 0.4621 0.4621 3.4910 3.4910 3.5642 3.5642 4.0194 4.0194 4.1733 4.1733 4.7677 4.7677 5.1981 5.1981 5.3657 5.3657 5.7318 5.7318 5.9483 5.9483 6.2030 6.2030 6.2644 6.2644 6.5844 6.5844 8.7963 8.7963 9.0516 9.0516 9.9310 9.9310 10.0270 10.0270 11.3330 11.3330 11.9999 11.9999 13.9974 13.9974 17.2986 17.2986 k =-0.4851 0.4695-0.0000 ( 2866 PWs) bands (ev): -0.3694 -0.3694 0.4643 0.4643 3.4909 3.4909 3.5639 3.5639 4.0180 4.0180 4.1718 4.1718 4.7632 4.7632 5.1968 5.1968 5.3652 5.3652 5.7272 5.7272 5.9431 5.9431 6.1279 6.1279 6.2660 6.2660 6.6815 6.6815 8.7808 8.7808 9.0385 9.0385 9.9375 9.9375 10.0478 10.0478 11.3363 11.3363 12.0194 12.0194 13.9943 13.9943 17.3113 17.3113 k =-0.4776 0.4777-0.0000 ( 2862 PWs) bands (ev): -0.3706 -0.3706 0.4681 0.4681 3.4906 3.4906 3.5635 3.5635 4.0158 4.0158 4.1691 4.1691 4.7557 4.7557 5.1946 5.1946 5.3643 5.3643 5.7183 5.7183 5.9304 5.9304 6.0538 6.0538 6.2663 6.2663 6.8000 6.8000 8.7544 8.7544 9.0201 9.0201 9.9476 9.9476 10.0802 10.0802 11.3418 11.3418 12.0518 12.0518 13.9893 13.9893 17.3322 17.3322 k =-0.4702 0.4860-0.0000 ( 2860 PWs) bands (ev): -0.3722 -0.3722 0.4733 0.4733 3.4902 3.4902 3.5629 3.5629 4.0127 4.0127 4.1651 4.1651 4.7452 4.7452 5.1915 5.1915 5.3628 5.3628 5.7030 5.7030 5.9014 5.9014 6.0021 6.0021 6.2664 6.2664 6.9287 6.9287 8.7172 8.7172 8.9998 8.9998 9.9609 9.9609 10.1214 10.1214 11.3494 11.3494 12.0971 12.0971 13.9826 13.9826 17.3612 17.3612 k =-0.4627 0.4942-0.0000 ( 2863 PWs) bands (ev): -0.3744 -0.3744 0.4800 0.4800 3.4897 3.4897 3.5621 3.5621 4.0087 4.0087 4.1595 4.1595 4.7316 4.7316 5.1875 5.1875 5.3605 5.3605 5.6779 5.6779 5.8585 5.8585 5.9778 5.9778 6.2664 6.2664 7.0637 7.0637 8.6703 8.6703 8.9799 8.9799 9.9775 9.9775 10.1681 10.1681 11.3591 11.3591 12.1553 12.1553 13.9744 13.9744 17.3981 17.3981 k =-0.4552 0.5024-0.0000 ( 2861 PWs) bands (ev): -0.3773 -0.3773 0.4881 0.4881 3.4891 3.4891 3.5612 3.5612 4.0039 4.0039 4.1521 4.1521 4.7151 4.7151 5.1826 5.1826 5.3570 5.3570 5.6415 5.6415 5.8209 5.8209 5.9658 5.9658 6.2663 6.2663 7.2032 7.2032 8.6158 8.6158 8.9608 8.9608 9.9977 9.9977 10.2178 10.2178 11.3709 11.3709 12.2261 12.2261 13.9651 13.9651 17.4425 17.4425 k =-0.4552 0.5024-0.0000 ( 2861 PWs) bands (ev): -0.3773 -0.3773 0.4881 0.4881 3.4891 3.4891 3.5612 3.5612 4.0039 4.0039 4.1521 4.1521 4.7151 4.7151 5.1826 5.1826 5.3570 5.3570 5.6415 5.6415 5.8209 5.8209 5.9658 5.9658 6.2663 6.2663 7.2032 7.2032 8.6158 8.6158 8.9608 8.9608 9.9977 9.9977 10.2178 10.2178 11.3709 11.3709 12.2261 12.2261 13.9651 13.9651 17.4425 17.4425 k =-0.4552 0.5024 0.0132 ( 2862 PWs) bands (ev): -0.3764 -0.3764 0.4878 0.4878 3.4891 3.4891 3.5611 3.5611 4.0035 4.0035 4.1532 4.1532 4.7158 4.7158 5.1823 5.1823 5.3573 5.3573 5.6394 5.6394 5.8230 5.8230 5.9664 5.9664 6.2660 6.2660 7.2047 7.2047 8.5744 8.5744 9.0003 9.0003 9.9820 9.9820 10.2135 10.2135 11.3890 11.3890 12.2127 12.2127 13.9877 13.9877 17.4473 17.4473 k =-0.4552 0.5024 0.0264 ( 2855 PWs) bands (ev): -0.3739 -0.3739 0.4871 0.4871 3.4889 3.4889 3.5607 3.5607 4.0026 4.0026 4.1564 4.1564 4.7181 4.7181 5.1813 5.1813 5.3583 5.3583 5.6337 5.6337 5.8290 5.8290 5.9683 5.9683 6.2653 6.2653 7.2090 7.2090 8.4821 8.4821 9.0863 9.0863 9.9371 9.9371 10.2012 10.2012 11.4409 11.4409 12.1752 12.1752 14.0528 14.0528 17.4619 17.4619 k =-0.4552 0.5024 0.0396 ( 2851 PWs) bands (ev): -0.3697 -0.3697 0.4858 0.4858 3.4886 3.4886 3.5602 3.5602 4.0014 4.0014 4.1614 4.1614 4.7219 4.7219 5.1796 5.1796 5.3599 5.3599 5.6251 5.6251 5.8378 5.8378 5.9714 5.9714 6.2641 6.2641 7.2162 7.2162 8.3721 8.3721 9.1840 9.1840 9.8686 9.8686 10.1819 10.1819 11.5206 11.5206 12.1210 12.1210 14.1544 14.1544 17.4860 17.4860 k =-0.4552 0.5024 0.0528 ( 2849 PWs) bands (ev): -0.3639 -0.3639 0.4841 0.4841 3.4880 3.4880 3.5595 3.5595 4.0003 4.0003 4.1677 4.1677 4.7273 4.7273 5.1773 5.1773 5.3621 5.3621 5.6148 5.6148 5.8485 5.8485 5.9760 5.9760 6.2625 6.2625 7.2263 7.2263 8.2566 8.2566 9.2781 9.2781 9.7837 9.7837 10.1566 10.1566 11.6212 11.6212 12.0591 12.0591 14.2850 14.2850 17.5196 17.5196 k =-0.4552 0.5024 0.0661 ( 2850 PWs) bands (ev): -0.3565 -0.3565 0.4818 0.4818 3.4870 3.4870 3.5588 3.5588 3.9996 3.9996 4.1749 4.1749 4.7343 4.7343 5.1743 5.1743 5.3651 5.3651 5.6037 5.6037 5.8599 5.8599 5.9822 5.9822 6.2605 6.2605 7.2392 7.2392 8.1402 8.1402 9.3579 9.3579 9.6909 9.6909 10.1266 10.1266 11.7363 11.7363 11.9992 11.9992 14.4379 14.4379 17.5625 17.5625 k =-0.4552 0.5024 0.0793 ( 2846 PWs) bands (ev): -0.3474 -0.3474 0.4790 0.4790 3.4854 3.4854 3.5580 3.5580 3.9996 3.9996 4.1824 4.1824 4.7430 4.7430 5.1707 5.1707 5.3689 5.3689 5.5925 5.5925 5.8713 5.8713 5.9901 5.9901 6.2581 6.2581 7.2549 7.2549 8.0250 8.0250 9.4053 9.4053 9.6061 9.6061 10.0937 10.0937 11.8550 11.8550 11.9558 11.9558 14.6078 14.6078 17.6145 17.6145 k =-0.4552 0.5024 0.0925 ( 2844 PWs) bands (ev): -0.3369 -0.3369 0.4757 0.4757 3.4831 3.4831 3.5573 3.5573 4.0006 4.0006 4.1898 4.1898 4.7532 4.7532 5.1665 5.1665 5.3736 5.3736 5.5820 5.5820 5.8822 5.8822 5.9996 5.9996 6.2554 6.2554 7.2734 7.2734 7.9123 7.9123 9.3805 9.3805 9.5651 9.5651 10.0607 10.0607 11.8927 11.8927 12.0172 12.0172 14.7906 14.7906 17.6753 17.6753 k =-0.4552 0.5024 0.1057 ( 2848 PWs) bands (ev): -0.3248 -0.3248 0.4718 0.4718 3.4801 3.4801 3.5566 3.5566 4.0027 4.0027 4.1968 4.1968 4.7650 4.7650 5.1618 5.1618 5.3791 5.3791 5.5727 5.5727 5.8923 5.8923 6.0107 6.0107 6.2525 6.2525 7.2945 7.2945 7.8027 7.8027 9.2906 9.2906 9.5569 9.5569 10.0306 10.0306 11.8826 11.8826 12.1537 12.1537 14.9835 14.9835 17.7445 17.7445 k =-0.4552 0.5024 0.1189 ( 2841 PWs) bands (ev): -0.3112 -0.3112 0.4674 0.4674 3.4763 3.4763 3.5559 3.5559 4.0060 4.0060 4.2031 4.2031 4.7782 4.7782 5.1566 5.1566 5.3855 5.3855 5.5651 5.5651 5.9017 5.9017 6.0232 6.0232 6.2494 6.2494 7.3181 7.3181 7.6970 7.6970 9.1802 9.1802 9.5352 9.5352 10.0045 10.0045 11.8929 11.8929 12.2995 12.2995 15.1841 15.1841 17.8220 17.8220 k =-0.4552 0.5024 0.1321 ( 2841 PWs) bands (ev): -0.2962 -0.2962 0.4624 0.4624 3.4718 3.4718 3.5551 3.5551 4.0106 4.0106 4.2085 4.2085 4.7926 4.7926 5.1509 5.1509 5.3927 5.3927 5.5599 5.5599 5.9104 5.9104 6.0366 6.0366 6.2463 6.2463 7.3441 7.3441 7.5954 7.5954 9.0641 9.0641 9.4884 9.4884 9.9799 9.9799 11.9289 11.9289 12.4496 12.4496 15.3907 15.3907 17.9073 17.9073 k =-0.4552 0.5024 0.1453 ( 2839 PWs) bands (ev): -0.2799 -0.2799 0.4568 0.4568 3.4666 3.4666 3.5541 3.5541 4.0164 4.0164 4.2127 4.2127 4.8081 4.8081 5.1449 5.1449 5.4006 5.4006 5.5575 5.5575 5.9187 5.9187 6.0508 6.0508 6.2434 6.2434 7.3722 7.3722 7.4986 7.4986 8.9465 8.9465 9.4186 9.4186 9.9525 9.9525 11.9909 11.9909 12.6024 12.6024 15.6017 15.6017 18.0001 18.0001 k =-0.4552 0.5024 0.1585 ( 2839 PWs) bands (ev): -0.2623 -0.2623 0.4506 0.4506 3.4610 3.4610 3.5529 3.5529 4.0231 4.0231 4.2158 4.2158 4.8243 4.8243 5.1387 5.1387 5.4089 5.4089 5.5587 5.5587 5.9270 5.9270 6.0652 6.0652 6.2408 6.2408 7.3971 7.3971 7.4114 7.4114 8.8295 8.8295 9.3312 9.3312 9.9190 9.9190 12.0769 12.0769 12.7569 12.7569 15.8161 15.8161 18.1001 18.1001 k =-0.4552 0.5024 0.1717 ( 2843 PWs) bands (ev): -0.2436 -0.2436 0.4438 0.4438 3.4550 3.4550 3.5512 3.5512 4.0307 4.0307 4.2176 4.2176 4.8408 4.8408 5.1324 5.1324 5.4174 5.4174 5.5640 5.5640 5.9353 5.9353 6.0795 6.0795 6.2387 6.2387 7.3181 7.3181 7.4346 7.4346 8.7144 8.7144 9.2308 9.2308 9.8782 9.8782 12.1837 12.1837 12.9124 12.9124 16.0325 16.0325 18.2068 18.2068 k =-0.4552 0.5024 0.1850 ( 2845 PWs) bands (ev): -0.2237 -0.2237 0.4363 0.4363 3.4488 3.4488 3.5491 3.5491 4.0388 4.0388 4.2182 4.2182 4.8574 4.8574 5.1262 5.1262 5.4260 5.4260 5.5738 5.5738 5.9440 5.9440 6.0937 6.0937 6.2375 6.2375 7.2360 7.2360 7.4668 7.4668 8.6024 8.6024 9.1209 9.1209 9.8301 9.8301 12.3077 12.3077 13.0682 13.0682 16.2500 16.2500 18.3199 18.3199 k =-0.4552 0.5024 0.1982 ( 2847 PWs) bands (ev): -0.2028 -0.2028 0.4282 0.4282 3.4425 3.4425 3.5463 3.5463 4.0474 4.0474 4.2177 4.2177 4.8735 4.8735 5.1201 5.1201 5.4347 5.4347 5.5882 5.5882 5.9534 5.9534 6.1074 6.1074 6.2374 6.2374 7.1588 7.1588 7.4990 7.4990 8.4947 8.4947 9.0042 9.0042 9.7758 9.7758 12.4456 12.4456 13.2236 13.2236 16.4674 16.4674 18.4391 18.4391 k =-0.4552 0.5024 0.2114 ( 2845 PWs) bands (ev): -0.1810 -0.1810 0.4193 0.4193 3.4364 3.4364 3.5430 3.5430 4.0560 4.0560 4.2161 4.2161 4.8889 4.8889 5.1144 5.1144 5.4438 5.4438 5.6069 5.6069 5.9637 5.9637 6.1206 6.1206 6.2387 6.2387 7.0867 7.0867 7.5296 7.5296 8.3932 8.3932 8.8828 8.8828 9.7164 9.7164 12.5942 12.5942 13.3777 13.3777 16.6837 16.6837 18.5637 18.5637 k =-0.4552 0.5024 0.2246 ( 2853 PWs) bands (ev): -0.1583 -0.1583 0.4097 0.4097 3.4305 3.4305 3.5389 3.5389 4.0646 4.0646 4.2136 4.2136 4.9033 4.9033 5.1091 5.1091 5.4537 5.4537 5.6291 5.6291 5.9752 5.9752 6.1332 6.1332 6.2418 6.2418 7.0195 7.0195 7.5564 7.5564 8.3005 8.3005 8.7585 8.7585 9.6527 9.6527 12.7510 12.7510 13.5299 13.5299 16.8974 16.8974 18.6934 18.6934 k =-0.4552 0.5024 0.2378 ( 2855 PWs) bands (ev): -0.1349 -0.1349 0.3993 0.3993 3.4251 3.4251 3.5341 3.5341 4.0728 4.0728 4.2102 4.2102 4.9163 4.9163 5.1043 5.1043 5.4648 5.4648 5.6538 5.6538 5.9883 5.9883 6.1457 6.1457 6.2469 6.2469 6.9574 6.9574 7.5758 7.5758 8.2203 8.2203 8.6325 8.6325 9.5858 9.5858 12.9136 12.9136 13.6791 13.6791 17.1072 17.1072 18.8276 18.8276 k =-0.4552 0.5024 0.2510 ( 2862 PWs) bands (ev): -0.1109 -0.1109 0.3880 0.3880 3.4202 3.4202 3.5287 3.5287 4.0805 4.0805 4.2061 4.2061 4.9279 4.9279 5.1002 5.1002 5.4776 5.4776 5.6797 5.6797 6.0033 6.0033 6.1585 6.1585 6.2541 6.2541 6.9000 6.9000 7.5827 7.5827 8.1579 8.1579 8.5060 8.5060 9.5163 9.5163 13.0801 13.0801 13.8245 13.8245 17.3116 17.3116 18.9653 18.9653 k =-0.4552 0.5024 0.2642 ( 2861 PWs) bands (ev): -0.0864 -0.0864 0.3760 0.3760 3.4160 3.4160 3.5225 3.5225 4.0877 4.0877 4.2014 4.2014 4.9380 4.9380 5.0967 5.0967 5.4922 5.4922 5.7051 5.7051 6.0207 6.0207 6.1724 6.1724 6.2635 6.2635 6.8474 6.8474 7.5720 7.5720 8.1186 8.1186 8.3803 8.3803 9.4449 9.4449 13.2485 13.2485 13.9648 13.9648 17.5088 17.5088 19.1057 19.1057 k =-0.4552 0.5024 0.2774 ( 2862 PWs) bands (ev): -0.0615 -0.0615 0.3630 0.3630 3.4126 3.4126 3.5157 3.5157 4.0942 4.0942 4.1963 4.1963 4.9466 4.9466 5.0937 5.0937 5.5087 5.5087 5.7284 5.7284 6.0406 6.0406 6.1884 6.1884 6.2749 6.2749 6.7994 6.7994 7.5416 7.5416 8.1038 8.1038 8.2575 8.2575 9.3719 9.3719 13.4172 13.4172 14.0988 14.0988 17.6968 17.6968 19.2473 19.2473 k =-0.4552 0.5024 0.2907 ( 2860 PWs) bands (ev): -0.0364 -0.0364 0.3492 0.3492 3.4100 3.4100 3.5084 3.5084 4.1000 4.1000 4.1909 4.1909 4.9538 4.9538 5.0914 5.0914 5.5271 5.5271 5.7481 5.7481 6.0628 6.0628 6.2074 6.2074 6.2885 6.2885 6.7558 6.7558 7.4947 7.4947 8.0949 8.0949 8.1540 8.1540 9.2979 9.2979 13.5844 13.5844 14.2248 14.2248 17.8734 17.8734 19.3884 19.3884 k =-0.4552 0.5024 0.3039 ( 2854 PWs) bands (ev): -0.0110 -0.0110 0.3345 0.3345 3.4084 3.4084 3.5005 3.5005 4.1052 4.1052 4.1853 4.1853 4.9596 4.9596 5.0895 5.0895 5.5471 5.5471 5.7632 5.7632 6.0865 6.0865 6.2297 6.2297 6.3049 6.3049 6.7167 6.7167 7.4378 7.4378 8.0017 8.0017 8.1551 8.1551 9.2232 9.2232 13.7483 13.7483 14.3412 14.3412 18.0365 18.0365 19.5265 19.5265 k =-0.4552 0.5024 0.3171 ( 2846 PWs) bands (ev): 0.0143 0.0143 0.3188 0.3188 3.4079 3.4079 3.4922 3.4922 4.1098 4.1098 4.1796 4.1796 4.9644 4.9644 5.0880 5.0880 5.5685 5.5685 5.7731 5.7731 6.1107 6.1107 6.2543 6.2543 6.3253 6.3253 6.6820 6.6820 7.3773 7.3773 7.8875 7.8875 8.1930 8.1930 9.1481 9.1481 13.9069 13.9069 14.4459 14.4459 18.1838 18.1838 19.6588 19.6588 k =-0.4552 0.5024 0.3303 ( 2846 PWs) bands (ev): 0.0396 0.0396 0.3022 0.3022 3.4083 3.4083 3.4836 3.4836 4.1139 4.1139 4.1740 4.1740 4.9681 4.9681 5.0868 5.0868 5.5909 5.5909 5.7780 5.7780 6.1342 6.1342 6.2785 6.2785 6.3515 6.3515 6.6518 6.6518 7.3183 7.3183 7.7757 7.7757 8.2412 8.2412 9.0729 9.0729 14.0581 14.0581 14.5369 14.5369 18.3137 18.3137 19.5098 19.5098 k =-0.4552 0.5024 0.3435 ( 2844 PWs) bands (ev): 0.0647 0.0647 0.2847 0.2847 3.4099 3.4099 3.4748 3.4748 4.1176 4.1176 4.1687 4.1687 4.9711 4.9711 5.0859 5.0859 5.6136 5.6136 5.7781 5.7781 6.1564 6.1564 6.2995 6.2995 6.3839 6.3839 6.6263 6.6263 7.2652 7.2652 7.6689 7.6689 8.2958 8.2958 8.9979 8.9979 14.1997 14.1997 14.6117 14.6117 18.4256 18.4256 19.3582 19.3582 k =-0.4552 0.5024 0.3567 ( 2850 PWs) bands (ev): 0.0894 0.0894 0.2663 0.2663 3.4125 3.4125 3.4661 3.4661 4.1210 4.1210 4.1636 4.1636 4.9733 4.9733 5.0852 5.0852 5.6362 5.6362 5.7743 5.7743 6.1765 6.1765 6.3163 6.3163 6.4199 6.4199 6.6056 6.6056 7.2216 7.2216 7.5691 7.5691 8.3547 8.3547 8.9236 8.9236 14.3292 14.3292 14.6682 14.6682 18.5205 18.5205 19.2209 19.2209 k =-0.4552 0.5024 0.3699 ( 2850 PWs) bands (ev): 0.1138 0.1138 0.2469 0.2469 3.4161 3.4161 3.4576 3.4576 4.1240 4.1240 4.1591 4.1591 4.9750 4.9750 5.0847 5.0847 5.6580 5.6580 5.7670 5.7670 6.1938 6.1938 6.3292 6.3292 6.4547 6.4547 6.5900 6.5900 7.1913 7.1913 7.4785 7.4785 8.4167 8.4167 8.8503 8.8503 14.4439 14.4439 14.7042 14.7042 18.6014 18.6014 19.0990 19.0990 k =-0.4552 0.5024 0.3831 ( 2848 PWs) bands (ev): 0.1377 0.1377 0.2266 0.2266 3.4207 3.4207 3.4495 3.4495 4.1266 4.1266 4.1554 4.1554 4.9761 4.9761 5.0843 5.0843 5.6782 5.6782 5.7573 5.7573 6.2074 6.2074 6.3384 6.3384 6.4837 6.4837 6.5791 6.5791 7.1766 7.1766 7.4011 7.4011 8.4801 8.4801 8.7790 8.7790 14.5414 14.5414 14.7181 14.7181 18.6728 18.6728 18.9930 18.9930 k =-0.4552 0.5024 0.3963 ( 2848 PWs) bands (ev): 0.1610 0.1610 0.2055 0.2055 3.4258 3.4258 3.4422 3.4422 4.1285 4.1285 4.1527 4.1527 4.9768 4.9768 5.0841 5.0841 5.6951 5.6951 5.7467 5.7467 6.2161 6.2161 6.3438 6.3438 6.5032 6.5032 6.5724 6.5724 7.1758 7.1758 7.3440 7.3440 8.5415 8.5415 8.7130 8.7130 14.6191 14.6191 14.7087 14.7087 18.7392 18.7392 18.9034 18.9034 k =-0.4552 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1833 0.1833 0.1840 0.1840 3.4291 3.4291 3.4381 3.4381 4.1292 4.1292 4.1518 4.1518 4.9770 4.9770 5.0840 5.0840 5.7030 5.7030 5.7409 5.7409 6.2192 6.2192 6.3456 6.3456 6.5101 6.5101 6.5700 6.5700 7.1788 7.1788 7.3213 7.3213 8.5783 8.5783 8.6747 8.6747 14.6715 14.6715 14.6793 14.6793 18.7870 18.7870 18.8475 18.8475 k =-0.4552 0.5024 0.4096 ( 2844 PWs) bands (ev): 0.1833 0.1833 0.1840 0.1840 3.4291 3.4291 3.4381 3.4381 4.1292 4.1292 4.1518 4.1518 4.9770 4.9770 5.0840 5.0840 5.7030 5.7030 5.7409 5.7409 6.2192 6.2192 6.3456 6.3456 6.5101 6.5101 6.5700 6.5700 7.1788 7.1788 7.3213 7.3213 8.5783 8.5783 8.6747 8.6747 14.6715 14.6715 14.6793 14.6793 18.7870 18.7870 18.8475 18.8475 k =-0.4627 0.4942 0.4096 ( 2856 PWs) bands (ev): 0.1803 0.1803 0.1808 0.1808 3.4307 3.4307 3.4382 3.4382 4.1421 4.1421 4.1601 4.1601 4.9950 4.9950 5.0830 5.0830 5.7161 5.7161 5.7466 5.7466 6.2622 6.2622 6.3881 6.3881 6.4908 6.4908 6.5714 6.5714 7.2026 7.2026 7.3450 7.3450 8.4513 8.4513 8.5467 8.5467 14.6658 14.6658 14.6723 14.6723 18.8542 18.8542 18.9075 18.9075 k =-0.4702 0.4860 0.4096 ( 2856 PWs) bands (ev): 0.1777 0.1777 0.1782 0.1782 3.4320 3.4320 3.4381 3.4381 4.1529 4.1529 4.1667 4.1667 5.0110 5.0110 5.0806 5.0806 5.7274 5.7274 5.7511 5.7511 6.2957 6.2957 6.4123 6.4123 6.4892 6.4892 6.5774 6.5774 7.2333 7.2333 7.3692 7.3692 8.3377 8.3377 8.4288 8.4288 14.6612 14.6612 14.6664 14.6664 18.9145 18.9145 18.9594 18.9594 k =-0.4776 0.4777 0.4096 ( 2856 PWs) bands (ev): 0.1757 0.1757 0.1761 0.1761 3.4333 3.4333 3.4378 3.4378 4.1616 4.1616 4.1716 4.1716 5.0251 5.0251 5.0769 5.0769 5.7368 5.7368 5.7542 5.7542 6.3206 6.3206 6.4098 6.4098 6.5115 6.5115 6.5849 6.5849 7.2706 7.2706 7.3906 7.3906 8.2423 8.2423 8.3239 8.3239 14.6577 14.6577 14.6616 14.6616 18.9660 18.9660 19.0014 19.0014 k =-0.4851 0.4695 0.4096 ( 2852 PWs) bands (ev): 0.1743 0.1743 0.1745 0.1745 3.4344 3.4344 3.4374 3.4374 4.1682 4.1682 4.1747 4.1747 5.0376 5.0376 5.0719 5.0719 5.7444 5.7444 5.7558 5.7558 6.3393 6.3393 6.3969 6.3969 6.5401 6.5401 6.5900 6.5900 7.3120 7.3120 7.4042 7.4042 8.1720 8.1720 8.2359 8.2359 14.6554 14.6554 14.6580 14.6580 19.0068 19.0068 19.0313 19.0313 k =-0.4925 0.4613 0.4096 ( 2852 PWs) bands (ev): 0.1734 0.1734 0.1735 0.1735 3.4353 3.4353 3.4369 3.4369 4.1728 4.1728 4.1760 4.1760 5.0484 5.0484 5.0654 5.0654 5.7501 5.7501 5.7557 5.7557 6.3546 6.3546 6.3826 6.3826 6.5643 6.5643 6.5894 6.5894 7.3528 7.3528 7.4037 7.4037 8.1345 8.1345 8.1704 8.1704 14.6542 14.6542 14.6556 14.6556 19.0349 19.0349 19.0474 19.0474 k =-0.5000 0.4530 0.4096 ( 2848 PWs) bands (ev): 0.1732 0.1732 0.1732 0.1732 3.4362 3.4362 3.4362 3.4362 4.1754 4.1754 4.1754 4.1754 5.0576 5.0576 5.0576 5.0576 5.7538 5.7538 5.7538 5.7538 6.3685 6.3685 6.3685 6.3685 6.5810 6.5810 6.5810 6.5810 7.3857 7.3857 7.3857 7.3857 8.1344 8.1344 8.1344 8.1344 14.6543 14.6543 14.6543 14.6543 19.0487 19.0487 19.0487 19.0487 k =-0.5000 0.4530 0.4096 ( 2848 PWs) bands (ev): 0.1732 0.1732 0.1732 0.1732 3.4362 3.4362 3.4362 3.4362 4.1754 4.1754 4.1754 4.1754 5.0576 5.0576 5.0576 5.0576 5.7538 5.7538 5.7538 5.7538 6.3685 6.3685 6.3685 6.3685 6.5810 6.5810 6.5810 6.5810 7.3857 7.3857 7.3857 7.3857 8.1344 8.1344 8.1344 8.1344 14.6543 14.6543 14.6543 14.6543 19.0487 19.0487 19.0487 19.0487 k =-0.5000 0.4530 0.3963 ( 2856 PWs) bands (ev): 0.1515 0.1515 0.1941 0.1941 3.4295 3.4295 3.4436 3.4436 4.1698 4.1698 4.1812 4.1812 5.0524 5.0524 5.0627 5.0627 5.7347 5.7347 5.7710 5.7710 6.3441 6.3441 6.3847 6.3847 6.5478 6.5478 6.6173 6.6173 7.3535 7.3535 7.4332 7.4332 8.0577 8.0577 8.2129 8.2129 14.6002 14.6002 14.6853 14.6853 18.9871 18.9871 19.1206 19.1206 k =-0.5000 0.4530 0.3831 ( 2856 PWs) bands (ev): 0.1292 0.1292 0.2142 0.2142 3.4236 3.4236 3.4516 3.4516 4.1644 4.1644 4.1873 4.1873 5.0470 5.0470 5.0676 5.0676 5.7140 5.7140 5.7858 5.7858 6.3160 6.3160 6.3849 6.3849 6.5245 6.5245 6.6537 6.6537 7.3382 7.3382 7.4934 7.4934 7.9837 7.9837 8.2925 8.2925 14.5243 14.5243 14.6928 14.6928 18.9302 18.9302 19.2067 19.2067 k =-0.5000 0.4530 0.3699 ( 2852 PWs) bands (ev): 0.1063 0.1063 0.2335 0.2335 3.4187 3.4187 3.4601 3.4601 4.1592 4.1592 4.1936 4.1936 5.0414 5.0414 5.0724 5.0724 5.6921 5.6921 5.7978 5.7978 6.2865 6.2865 6.3638 6.3638 6.5164 6.5164 6.6897 6.6897 7.3402 7.3402 7.5621 7.5621 7.9149 7.9149 8.3730 8.3730 14.4283 14.4283 14.6772 14.6772 18.8711 18.8711 19.3092 19.3092 k =-0.5000 0.4530 0.3567 ( 2844 PWs) bands (ev): 0.0830 0.0830 0.2520 0.2520 3.4148 3.4148 3.4689 3.4689 4.1540 4.1540 4.2001 4.2001 5.0354 5.0354 5.0770 5.0770 5.6695 5.6695 5.8065 5.8065 6.2566 6.2566 6.3282 6.3282 6.5180 6.5180 6.7255 6.7255 7.3585 7.3585 7.6290 7.6290 7.8602 7.8602 8.4543 8.4543 14.3146 14.3146 14.6395 14.6395 18.8021 18.8021 19.4287 19.4287 k =-0.5000 0.4530 0.3435 ( 2848 PWs) bands (ev): 0.0592 0.0592 0.2696 0.2696 3.4119 3.4119 3.4778 3.4778 4.1488 4.1488 4.2069 4.2069 5.0291 5.0291 5.0816 5.0816 5.6465 5.6465 5.8113 5.8113 6.2259 6.2259 6.2888 6.2888 6.5218 6.5218 6.7619 6.7619 7.3907 7.3907 7.6625 7.6625 7.8506 7.8506 8.5362 8.5362 14.1857 14.1857 14.5817 14.5817 18.7159 18.7159 19.5636 19.5636 k =-0.5000 0.4530 0.3303 ( 2848 PWs) bands (ev): 0.0351 0.0351 0.2862 0.2862 3.4102 3.4102 3.4867 3.4867 4.1434 4.1434 4.2137 4.2137 5.0223 5.0223 5.0861 5.0861 5.6239 5.6239 5.8114 5.8114 6.1929 6.1929 6.2534 6.2534 6.5244 6.5244 6.7996 6.7996 7.4314 7.4314 7.6395 7.6395 7.9113 7.9113 8.6186 8.6186 14.0439 14.0439 14.5056 14.5056 18.6073 18.6073 19.4931 19.4931 k =-0.5000 0.4530 0.3171 ( 2848 PWs) bands (ev): 0.0107 0.0107 0.3020 0.3020 3.4095 3.4095 3.4955 3.4955 4.1378 4.1378 4.2205 4.2205 5.0150 5.0150 5.0905 5.0905 5.6020 5.6020 5.8061 5.8061 6.1573 6.1573 6.2262 6.2262 6.5249 6.5249 6.8390 6.8390 7.4632 7.4632 7.6102 7.6102 8.0058 8.0058 8.7015 8.7015 13.8916 13.8916 14.4137 14.4137 18.4744 18.4744 19.3541 19.3541 k =-0.5000 0.4530 0.3039 ( 2846 PWs) bands (ev): -0.0137 -0.0137 0.3168 0.3168 3.4099 3.4099 3.5039 3.5039 4.1317 4.1317 4.2272 4.2272 5.0071 5.0071 5.0950 5.0950 5.5814 5.5814 5.7946 5.7946 6.1222 6.1222 6.2068 6.2068 6.5234 6.5234 6.8808 6.8808 7.4484 7.4484 7.6309 7.6309 8.1130 8.1130 8.7850 8.7850 13.7311 13.7311 14.3081 14.3081 18.3179 18.3179 19.2168 19.2168 k =-0.5000 0.4530 0.2907 ( 2846 PWs) bands (ev): -0.0381 -0.0381 0.3308 0.3308 3.4113 3.4113 3.5120 3.5120 4.1252 4.1252 4.2337 4.2337 4.9983 4.9983 5.0994 5.0994 5.5624 5.5624 5.7768 5.7768 6.0908 6.0908 6.1933 6.1933 6.5203 6.5203 6.9253 6.9253 7.3966 7.3966 7.6955 7.6955 8.2264 8.2264 8.8690 8.8690 13.5644 13.5644 14.1909 14.1909 18.1408 18.1408 19.0812 19.0812 k =-0.5000 0.4530 0.2774 ( 2850 PWs) bands (ev): -0.0623 -0.0623 0.3439 0.3439 3.4136 3.4136 3.5195 3.5195 4.1182 4.1182 4.2398 4.2398 4.9887 4.9887 5.1040 5.1040 5.5453 5.5453 5.7535 5.7535 6.0647 6.0647 6.1843 6.1843 6.5161 6.5161 6.9729 6.9729 7.3343 7.3343 7.7778 7.7778 8.3435 8.3435 8.9537 8.9537 13.3932 13.3932 14.0642 14.0642 17.9469 17.9469 18.9476 18.9476 k =-0.5000 0.4530 0.2642 ( 2854 PWs) bands (ev): -0.0864 -0.0864 0.3561 0.3561 3.4169 3.4169 3.5265 3.5265 4.1105 4.1105 4.2455 4.2455 4.9781 4.9781 5.1087 5.1087 5.5303 5.5303 5.7264 5.7264 6.0437 6.0437 6.1791 6.1791 6.5110 6.5110 7.0238 7.0238 7.2695 7.2695 7.8694 7.8694 8.4623 8.4623 9.0394 9.0394 13.2192 13.2192 13.9296 13.9296 17.7401 17.7401 18.8165 18.8165 k =-0.5000 0.4530 0.2510 ( 2852 PWs) bands (ev): -0.1100 -0.1100 0.3674 0.3674 3.4209 3.4209 3.5327 3.5327 4.1023 4.1023 4.2505 4.2505 4.9665 4.9665 5.1136 5.1136 5.5171 5.5171 5.6977 5.6977 6.0271 6.0271 6.1768 6.1768 6.5052 6.5052 7.0784 7.0784 7.2045 7.2045 7.9675 7.9675 8.5813 8.5813 9.1263 9.1263 13.0440 13.0440 13.7887 13.7887 17.5237 17.5237 18.6880 18.6880 k =-0.5000 0.4530 0.2378 ( 2848 PWs) bands (ev): -0.1333 -0.1333 0.3780 0.3780 3.4257 3.4257 3.5383 3.5383 4.0935 4.0935 4.2547 4.2547 4.9539 4.9539 5.1188 5.1188 5.5055 5.5055 5.6696 5.6696 6.0139 6.0139 6.1769 6.1769 6.4990 6.4990 7.1314 7.1314 7.1458 7.1458 8.0708 8.0708 8.6989 8.6989 9.2150 9.2150 12.8691 12.8691 13.6427 13.6427 17.3004 17.3004 18.5627 18.5627 k =-0.5000 0.4530 0.2246 ( 2848 PWs) bands (ev): -0.1559 -0.1559 0.3878 0.3878 3.4310 3.4310 3.5432 3.5432 4.0844 4.0844 4.2580 4.2580 4.9403 4.9403 5.1242 5.1242 5.4948 5.4948 5.6443 5.6443 6.0034 6.0034 6.1788 6.1788 6.4924 6.4924 7.0761 7.0761 7.2010 7.2010 8.1783 8.1783 8.8131 8.8131 9.3058 9.3058 12.6961 12.6961 13.4929 13.4929 17.0725 17.0725 18.4409 18.4409 k =-0.5000 0.4530 0.2114 ( 2848 PWs) bands (ev): -0.1778 -0.1778 0.3969 0.3969 3.4368 3.4368 3.5473 3.5473 4.0750 4.0750 4.2602 4.2602 4.9258 4.9258 5.1299 5.1299 5.4841 5.4841 5.6235 5.6235 5.9947 5.9947 6.1820 6.1820 6.4854 6.4854 7.0147 7.0147 7.2683 7.2683 8.2894 8.2894 8.9222 8.9222 9.3991 9.3991 12.5267 12.5267 13.3403 13.3403 16.8418 16.8418 18.3231 18.3231 k =-0.5000 0.4530 0.1982 ( 2844 PWs) bands (ev): -0.1990 -0.1990 0.4052 0.4052 3.4428 3.4428 3.5507 3.5507 4.0655 4.0655 4.2612 4.2612 4.9106 4.9106 5.1359 5.1359 5.4728 5.4728 5.6085 5.6085 5.9877 5.9877 6.1861 6.1861 6.4779 6.4779 6.9551 6.9551 7.3404 7.3404 8.4034 8.4034 9.0244 9.0244 9.4947 9.4947 12.3626 12.3626 13.1856 13.1856 16.6098 16.6098 18.2097 18.2097 k =-0.5000 0.4530 0.1850 ( 2848 PWs) bands (ev): -0.2193 -0.2193 0.4129 0.4129 3.4490 3.4490 3.5535 3.5535 4.0563 4.0563 4.2608 4.2608 4.8951 4.8951 5.1421 5.1421 5.4605 5.4605 5.5998 5.5998 5.9818 5.9818 6.1909 6.1909 6.4699 6.4699 6.8979 6.8979 7.4173 7.4173 8.5199 8.5199 9.1184 9.1184 9.5919 9.5919 12.2062 12.2062 13.0298 13.0298 16.3777 16.3777 18.1011 18.1011 k =-0.5000 0.4530 0.1717 ( 2848 PWs) bands (ev): -0.2385 -0.2385 0.4199 0.4199 3.4552 3.4552 3.5557 3.5557 4.0475 4.0475 4.2591 4.2591 4.8794 4.8794 5.1484 5.1484 5.4476 5.4476 5.5971 5.5971 5.9769 5.9769 6.1960 6.1960 6.4611 6.4611 6.8433 6.8433 7.4990 7.4990 8.6383 8.6383 9.2032 9.2032 9.6886 9.6886 12.0604 12.0604 12.8736 12.8736 16.1468 16.1468 17.9977 17.9977 k =-0.5000 0.4530 0.1585 ( 2844 PWs) bands (ev): -0.2567 -0.2567 0.4263 0.4263 3.4612 3.4612 3.5573 3.5573 4.0394 4.0394 4.2559 4.2559 4.8640 4.8640 5.1547 5.1547 5.4347 5.4347 5.5995 5.5995 5.9728 5.9728 6.2013 6.2013 6.4513 6.4513 6.7919 6.7919 7.5855 7.5855 8.7581 8.7581 9.2782 9.2782 9.7815 9.7815 11.9287 11.9287 12.7176 12.7176 15.9179 15.9179 17.9000 17.9000 k =-0.5000 0.4530 0.1453 ( 2850 PWs) bands (ev): -0.2738 -0.2738 0.4321 0.4321 3.4669 3.4669 3.5585 3.5585 4.0322 4.0322 4.2512 4.2512 4.8492 4.8492 5.1609 5.1609 5.4225 5.4225 5.6059 5.6059 5.9694 5.9694 6.2066 6.2066 6.4401 6.4401 6.7444 6.7444 7.6769 7.6769 8.8786 8.8786 9.3432 9.3432 9.8662 9.8662 11.8156 11.8156 12.5626 12.5626 15.6922 15.6922 17.8082 17.8082 k =-0.5000 0.4530 0.1321 ( 2850 PWs) bands (ev): -0.2897 -0.2897 0.4373 0.4373 3.4722 3.4722 3.5594 3.5594 4.0261 4.0261 4.2452 4.2452 4.8352 4.8352 5.1669 5.1669 5.4114 5.4114 5.6154 5.6154 5.9665 5.9665 6.2117 6.2117 6.4270 6.4270 6.7013 6.7013 7.7729 7.7729 8.9989 8.9989 9.3980 9.3980 9.9374 9.9374 11.7264 11.7264 12.4094 12.4094 15.4708 15.4708 17.7230 17.7230 k =-0.5000 0.4530 0.1189 ( 2846 PWs) bands (ev): -0.3042 -0.3042 0.4420 0.4420 3.4769 3.4769 3.5600 3.5600 4.0213 4.0213 4.2379 4.2379 4.8224 4.8224 5.1725 5.1725 5.4016 5.4016 5.6273 5.6273 5.9640 5.9640 6.2167 6.2167 6.4115 6.4115 6.6635 6.6635 7.8734 7.8734 9.1173 9.1173 9.4423 9.4423 9.9903 9.9903 11.6664 11.6664 12.2587 12.2587 15.2548 15.2548 17.6445 17.6445 k =-0.5000 0.4530 0.1057 ( 2844 PWs) bands (ev): -0.3174 -0.3174 0.4461 0.4461 3.4808 3.4808 3.5606 3.5606 4.0178 4.0178 4.2296 4.2296 4.8109 4.8109 5.1778 5.1778 5.3932 5.3932 5.6411 5.6411 5.9618 5.9618 6.2212 6.2212 6.3935 6.3935 6.6315 6.6315 7.9781 7.9781 9.2306 9.2306 9.4766 9.4766 10.0222 10.0222 11.6391 11.6391 12.1118 12.1118 15.0457 15.0457 17.5732 17.5732 k =-0.5000 0.4530 0.0925 ( 2838 PWs) bands (ev): -0.3291 -0.3291 0.4497 0.4497 3.4841 3.4841 3.5611 3.5611 4.0156 4.0156 4.2205 4.2205 4.8008 4.8008 5.1825 5.1825 5.3861 5.3861 5.6560 5.6560 5.9598 5.9598 6.2255 6.2255 6.3731 6.3731 6.6054 6.6054 8.0866 8.0866 9.3289 9.3289 9.5069 9.5069 10.0343 10.0343 11.6442 11.6442 11.9702 11.9702 14.8453 14.8453 17.5094 17.5094 k =-0.5000 0.4530 0.0793 ( 2846 PWs) bands (ev): -0.3394 -0.3394 0.4528 0.4528 3.4866 3.4866 3.5617 3.5617 4.0146 4.0146 4.2111 4.2111 4.7921 4.7921 5.1867 5.1867 5.3803 5.3803 5.6715 5.6715 5.9579 5.9579 6.2293 6.2293 6.3511 6.3511 6.5850 6.5850 8.1984 8.1984 9.3847 9.3847 9.5558 9.5558 10.0325 10.0325 11.6751 11.6751 11.8379 11.8379 14.6560 14.6560 17.4533 17.4533 k =-0.5000 0.4530 0.0661 ( 2854 PWs) bands (ev): -0.3482 -0.3482 0.4554 0.4554 3.4884 3.4884 3.5623 3.5623 4.0147 4.0147 4.2017 4.2017 4.7849 4.7849 5.1903 5.1903 5.3756 5.3756 5.6869 5.6869 5.9560 5.9560 6.2327 6.2327 6.3287 6.3287 6.5696 6.5696 8.3128 8.3128 9.3799 9.3799 9.6371 9.6371 10.0243 10.0243 11.6794 11.6794 11.7618 11.7618 14.4807 14.4807 17.4054 17.4054 k =-0.5000 0.4530 0.0528 ( 2858 PWs) bands (ev): -0.3555 -0.3555 0.4576 0.4576 3.4896 3.4896 3.5629 3.5629 4.0156 4.0156 4.1929 4.1929 4.7791 4.7791 5.1933 5.1933 5.3720 5.3720 5.7015 5.7015 5.9542 5.9542 6.2357 6.2357 6.3073 6.3073 6.5583 6.5583 8.4287 8.4287 9.3348 9.3348 9.7276 9.7276 10.0165 10.0165 11.5786 11.5786 11.8136 11.8136 14.3237 14.3237 17.3658 17.3658 k =-0.5000 0.4530 0.0396 ( 2866 PWs) bands (ev): -0.3611 -0.3611 0.4592 0.4592 3.4904 3.4904 3.5634 3.5634 4.0170 4.0170 4.1852 4.1852 4.7747 4.7747 5.1956 5.1956 5.3692 5.3692 5.7143 5.7143 5.9525 5.9525 6.2384 6.2384 6.2885 6.2885 6.5502 6.5502 8.5444 8.5444 9.2651 9.2651 9.8104 9.8104 10.0124 10.0124 11.4800 11.4800 11.8801 11.8801 14.1903 14.1903 17.3346 17.3346 k =-0.5000 0.4530 0.0264 ( 2870 PWs) bands (ev): -0.3652 -0.3652 0.4604 0.4604 3.4908 3.4908 3.5639 3.5639 4.0184 4.0184 4.1791 4.1791 4.7716 4.7716 5.1972 5.1972 5.3673 5.3673 5.7245 5.7245 5.9511 5.9511 6.2409 6.2409 6.2734 6.2734 6.5449 6.5449 8.6562 8.6562 9.1816 9.1816 9.8757 9.8757 10.0129 10.0129 11.4012 11.4012 11.9388 11.9388 14.0871 14.0871 17.3123 17.3123 k =-0.5000 0.4530 0.0132 ( 2872 PWs) bands (ev): -0.3677 -0.3677 0.4611 0.4611 3.4910 3.4910 3.5642 3.5642 4.0195 4.0195 4.1752 4.1752 4.7697 4.7697 5.1982 5.1982 5.3662 5.3662 5.7310 5.7310 5.9501 5.9501 6.2432 6.2432 6.2629 6.2629 6.5419 6.5419 8.7539 8.7539 9.0991 9.0991 9.9158 9.9158 10.0171 10.0171 11.3498 11.3498 11.9791 11.9791 14.0212 14.0212 17.2989 17.2989 k =-0.5000 0.4530 0.0000 ( 2868 PWs) bands (ev): -0.3685 -0.3685 0.4613 0.4613 3.4911 3.4911 3.5643 3.5643 4.0199 4.0199 4.1738 4.1738 4.7691 4.7691 5.1985 5.1985 5.3659 5.3659 5.7333 5.7333 5.9497 5.9497 6.2446 6.2446 6.2588 6.2588 6.5409 6.5409 8.8014 8.8014 9.0564 9.0564 9.9287 9.9287 10.0199 10.0199 11.3319 11.3319 11.9935 11.9935 13.9985 13.9985 17.2944 17.2944 k = 0.0000 0.0000 0.4096 ( 2840 PWs) bands (ev): -0.6065 -0.6065 -0.6065 -0.6065 3.5232 3.5232 3.5232 3.5232 3.6218 3.6218 3.6218 3.6218 5.1094 5.1094 5.1094 5.1094 5.4430 5.4430 5.4430 5.4430 5.8657 5.8657 5.8657 5.8657 8.5507 8.5507 8.5507 8.5507 9.3797 9.3797 9.3797 9.3797 9.8399 9.8399 9.8399 9.8399 14.0589 14.0589 14.0589 14.0589 17.0635 17.0635 17.0635 17.0635 k =-0.0098 0.0089 0.4096 ( 2852 PWs) bands (ev): -0.6056 -0.6056 -0.6056 -0.6056 3.5230 3.5230 3.5230 3.5230 3.6218 3.6218 3.6218 3.6218 5.1086 5.1086 5.1086 5.1086 5.4431 5.4431 5.4431 5.4431 5.8656 5.8656 5.8656 5.8656 8.5355 8.5355 8.5355 8.5355 9.3865 9.3865 9.3865 9.3865 9.8507 9.8507 9.8507 9.8507 14.0572 14.0572 14.0572 14.0572 17.0661 17.0661 17.0661 17.0661 k =-0.0196 0.0178 0.4096 ( 2858 PWs) bands (ev): -0.6027 -0.6027 -0.6027 -0.6027 3.5226 3.5226 3.5226 3.5226 3.6219 3.6219 3.6219 3.6219 5.1060 5.1060 5.1060 5.1060 5.4432 5.4432 5.4432 5.4432 5.8654 5.8654 5.8654 5.8654 8.4930 8.4930 8.4930 8.4930 9.4030 9.4030 9.4030 9.4030 9.8839 9.8839 9.8839 9.8839 14.0521 14.0521 14.0521 14.0521 17.0738 17.0738 17.0738 17.0738 k =-0.0294 0.0266 0.4096 ( 2858 PWs) bands (ev): -0.5980 -0.5980 -0.5980 -0.5980 3.5219 3.5219 3.5219 3.5219 3.6222 3.6222 3.6222 3.6222 5.1018 5.1018 5.1018 5.1018 5.4435 5.4435 5.4435 5.4435 5.8649 5.8649 5.8649 5.8649 8.4301 8.4301 8.4301 8.4301 9.4209 9.4209 9.4209 9.4209 9.9407 9.9407 9.9407 9.9407 14.0433 14.0433 14.0433 14.0433 17.0866 17.0866 17.0866 17.0866 k =-0.0392 0.0355 0.4096 ( 2858 PWs) bands (ev): -0.5914 -0.5914 -0.5914 -0.5914 3.5209 3.5209 3.5209 3.5209 3.6225 3.6225 3.6225 3.6225 5.0960 5.0960 5.0960 5.0960 5.4439 5.4439 5.4439 5.4439 5.8644 5.8644 5.8644 5.8644 8.3541 8.3541 8.3541 8.3541 9.4337 9.4337 9.4337 9.4337 10.0202 10.0202 10.0202 10.0202 14.0306 14.0306 14.0306 14.0306 17.1041 17.1041 17.1041 17.1041 k =-0.0490 0.0444 0.4096 ( 2852 PWs) bands (ev): -0.5829 -0.5829 -0.5829 -0.5829 3.5196 3.5196 3.5196 3.5196 3.6230 3.6230 3.6230 3.6230 5.0885 5.0885 5.0885 5.0885 5.4444 5.4444 5.4444 5.4444 5.8637 5.8637 5.8637 5.8637 8.2707 8.2707 8.2707 8.2707 9.4387 9.4387 9.4387 9.4387 10.1195 10.1195 10.1195 10.1195 14.0134 14.0134 14.0134 14.0134 17.1252 17.1252 17.1252 17.1252 k =-0.0588 0.0533 0.4096 ( 2848 PWs) bands (ev): -0.5727 -0.5727 -0.5727 -0.5727 3.5181 3.5181 3.5181 3.5181 3.6235 3.6235 3.6235 3.6235 5.0795 5.0795 5.0795 5.0795 5.4449 5.4449 5.4449 5.4449 5.8629 5.8629 5.8629 5.8629 8.1838 8.1838 8.1838 8.1838 9.4362 9.4362 9.4362 9.4362 10.2341 10.2341 10.2341 10.2341 13.9912 13.9912 13.9912 13.9912 17.1465 17.1465 17.1465 17.1465 k =-0.0686 0.0622 0.4096 ( 2868 PWs) bands (ev): -0.5607 -0.5607 -0.5607 -0.5607 3.5164 3.5164 3.5164 3.5164 3.6242 3.6242 3.6242 3.6242 5.0689 5.0689 5.0689 5.0689 5.4454 5.4454 5.4454 5.4454 5.8621 5.8621 5.8621 5.8621 8.0960 8.0960 8.0960 8.0960 9.4272 9.4272 9.4272 9.4272 10.3601 10.3601 10.3601 10.3601 13.9633 13.9633 13.9633 13.9633 17.1508 17.1508 17.1508 17.1508 k =-0.0784 0.0711 0.4096 ( 2862 PWs) bands (ev): -0.5470 -0.5470 -0.5470 -0.5470 3.5144 3.5144 3.5144 3.5144 3.6251 3.6251 3.6251 3.6251 5.0569 5.0569 5.0569 5.0569 5.4460 5.4460 5.4460 5.4460 5.8614 5.8614 5.8614 5.8614 8.0090 8.0090 8.0090 8.0090 9.4130 9.4130 9.4130 9.4130 10.4943 10.4943 10.4943 10.4943 13.9289 13.9289 13.9289 13.9289 17.1002 17.1002 17.1002 17.1002 k =-0.0882 0.0799 0.4096 ( 2868 PWs) bands (ev): -0.5316 -0.5316 -0.5316 -0.5316 3.5122 3.5122 3.5122 3.5122 3.6261 3.6261 3.6261 3.6261 5.0435 5.0435 5.0435 5.0435 5.4465 5.4465 5.4465 5.4465 5.8606 5.8606 5.8606 5.8606 7.9240 7.9240 7.9240 7.9240 9.3943 9.3943 9.3943 9.3943 10.6342 10.6342 10.6342 10.6342 13.8870 13.8870 13.8870 13.8870 17.0182 17.0182 17.0182 17.0182 k =-0.0980 0.0888 0.4096 ( 2872 PWs) bands (ev): -0.5147 -0.5147 -0.5147 -0.5147 3.5098 3.5098 3.5098 3.5098 3.6273 3.6273 3.6273 3.6273 5.0289 5.0289 5.0289 5.0289 5.4470 5.4470 5.4470 5.4470 5.8600 5.8600 5.8600 5.8600 7.8417 7.8417 7.8417 7.8417 9.3720 9.3720 9.3720 9.3720 10.7779 10.7779 10.7779 10.7779 13.8370 13.8370 13.8370 13.8370 16.9319 16.9319 16.9319 16.9319 k =-0.1078 0.0977 0.4096 ( 2866 PWs) bands (ev): -0.4963 -0.4963 -0.4963 -0.4963 3.5072 3.5072 3.5072 3.5072 3.6288 3.6288 3.6288 3.6288 5.0130 5.0130 5.0130 5.0130 5.4475 5.4475 5.4475 5.4475 5.8595 5.8595 5.8595 5.8595 7.7628 7.7628 7.7628 7.7628 9.3465 9.3465 9.3465 9.3465 10.9237 10.9237 10.9237 10.9237 13.7782 13.7782 13.7782 13.7782 16.8495 16.8495 16.8495 16.8495 k =-0.1176 0.1066 0.4096 ( 2860 PWs) bands (ev): -0.4765 -0.4765 -0.4765 -0.4765 3.5045 3.5045 3.5045 3.5045 3.6306 3.6306 3.6306 3.6306 4.9962 4.9962 4.9962 4.9962 5.4478 5.4478 5.4478 5.4478 5.8592 5.8592 5.8592 5.8592 7.6875 7.6875 7.6875 7.6875 9.3182 9.3182 9.3182 9.3182 11.0699 11.0699 11.0699 11.0699 13.7100 13.7100 13.7100 13.7100 16.7750 16.7750 16.7750 16.7750 k =-0.1275 0.1155 0.4096 ( 2852 PWs) bands (ev): -0.4554 -0.4554 -0.4554 -0.4554 3.5016 3.5016 3.5016 3.5016 3.6327 3.6327 3.6327 3.6327 4.9786 4.9786 4.9786 4.9786 5.4480 5.4480 5.4480 5.4480 5.8591 5.8591 5.8591 5.8591 7.6161 7.6161 7.6161 7.6161 9.2874 9.2874 9.2874 9.2874 11.2148 11.2148 11.2148 11.2148 13.6327 13.6327 13.6327 13.6327 16.7113 16.7113 16.7113 16.7113 k =-0.1373 0.1244 0.4096 ( 2848 PWs) bands (ev): -0.4331 -0.4331 -0.4331 -0.4331 3.4986 3.4986 3.4986 3.4986 3.6352 3.6352 3.6352 3.6352 4.9603 4.9603 4.9603 4.9603 5.4482 5.4482 5.4482 5.4482 5.8594 5.8594 5.8594 5.8594 7.5486 7.5486 7.5486 7.5486 9.2544 9.2544 9.2544 9.2544 11.3566 11.3566 11.3566 11.3566 13.5468 13.5468 13.5468 13.5468 16.6603 16.6603 16.6603 16.6603 k =-0.1471 0.1332 0.4096 ( 2848 PWs) bands (ev): -0.4097 -0.4097 -0.4097 -0.4097 3.4955 3.4955 3.4955 3.4955 3.6382 3.6382 3.6382 3.6382 4.9416 4.9416 4.9416 4.9416 5.4482 5.4482 5.4482 5.4482 5.8599 5.8599 5.8599 5.8599 7.4851 7.4851 7.4851 7.4851 9.2195 9.2195 9.2195 9.2195 11.4927 11.4927 11.4927 11.4927 13.4540 13.4540 13.4540 13.4540 16.6237 16.6237 16.6237 16.6237 k =-0.1569 0.1421 0.4096 ( 2852 PWs) bands (ev): -0.3853 -0.3853 -0.3853 -0.3853 3.4923 3.4923 3.4923 3.4923 3.6418 3.6418 3.6418 3.6418 4.9226 4.9226 4.9226 4.9226 5.4481 5.4481 5.4481 5.4481 5.8608 5.8608 5.8608 5.8608 7.4255 7.4255 7.4255 7.4255 9.1828 9.1828 9.1828 9.1828 11.6199 11.6199 11.6199 11.6199 13.3574 13.3574 13.3574 13.3574 16.6023 16.6023 16.6023 16.6023 k =-0.1667 0.1510 0.4096 ( 2852 PWs) bands (ev): -0.3602 -0.3602 -0.3602 -0.3602 3.4890 3.4890 3.4890 3.4890 3.6460 3.6460 3.6460 3.6460 4.9037 4.9037 4.9037 4.9037 5.4479 5.4479 5.4479 5.4479 5.8621 5.8621 5.8621 5.8621 7.3698 7.3698 7.3698 7.3698 9.1447 9.1447 9.1447 9.1447 11.7331 11.7331 11.7331 11.7331 13.2615 13.2615 13.2615 13.2615 16.5967 16.5967 16.5967 16.5967 k =-0.1765 0.1599 0.4096 ( 2852 PWs) bands (ev): -0.3343 -0.3343 -0.3343 -0.3343 3.4856 3.4856 3.4856 3.4856 3.6510 3.6510 3.6510 3.6510 4.8850 4.8850 4.8850 4.8850 5.4476 5.4476 5.4476 5.4476 5.8637 5.8637 5.8637 5.8637 7.3178 7.3178 7.3178 7.3178 9.1052 9.1052 9.1052 9.1052 11.8254 11.8254 11.8254 11.8254 13.1739 13.1739 13.1739 13.1739 16.6070 16.6070 16.6070 16.6070 k =-0.1863 0.1688 0.4096 ( 2848 PWs) bands (ev): -0.3079 -0.3079 -0.3079 -0.3079 3.4822 3.4822 3.4822 3.4822 3.6568 3.6568 3.6568 3.6568 4.8669 4.8669 4.8669 4.8669 5.4472 5.4472 5.4472 5.4472 5.8658 5.8658 5.8658 5.8658 7.2693 7.2693 7.2693 7.2693 9.0646 9.0646 9.0646 9.0646 11.8870 11.8870 11.8870 11.8870 13.1047 13.1047 13.1047 13.1047 16.6331 16.6331 16.6331 16.6331 k =-0.1961 0.1777 0.4096 ( 2856 PWs) bands (ev): -0.2811 -0.2811 -0.2811 -0.2811 3.4788 3.4788 3.4788 3.4788 3.6636 3.6636 3.6636 3.6636 4.8494 4.8494 4.8494 4.8494 5.4467 5.4467 5.4467 5.4467 5.8682 5.8682 5.8682 5.8682 7.2242 7.2242 7.2242 7.2242 9.0231 9.0231 9.0231 9.0231 11.9067 11.9067 11.9067 11.9067 13.0654 13.0654 13.0654 13.0654 16.6746 16.6746 16.6746 16.6746 k =-0.2059 0.1865 0.4096 ( 2852 PWs) bands (ev): -0.2540 -0.2540 -0.2540 -0.2540 3.4754 3.4754 3.4754 3.4754 3.6715 3.6715 3.6715 3.6715 4.8330 4.8330 4.8330 4.8330 5.4461 5.4461 5.4461 5.4461 5.8711 5.8711 5.8711 5.8711 7.1823 7.1823 7.1823 7.1823 8.9808 8.9808 8.9808 8.9808 11.8777 11.8777 11.8777 11.8777 13.0637 13.0637 13.0637 13.0637 16.7311 16.7311 16.7311 16.7311 k =-0.2157 0.1954 0.4096 ( 2848 PWs) bands (ev): -0.2269 -0.2269 -0.2269 -0.2269 3.4720 3.4720 3.4720 3.4720 3.6806 3.6806 3.6806 3.6806 4.8178 4.8178 4.8178 4.8178 5.4455 5.4455 5.4455 5.4455 5.8744 5.8744 5.8744 5.8744 7.1433 7.1433 7.1433 7.1433 8.9379 8.9379 8.9379 8.9379 11.8022 11.8022 11.8022 11.8022 13.0978 13.0978 13.0978 13.0978 16.8021 16.8021 16.8021 16.8021 k =-0.2255 0.2043 0.4096 ( 2840 PWs) bands (ev): -0.1998 -0.1998 -0.1998 -0.1998 3.4687 3.4687 3.4687 3.4687 3.6910 3.6910 3.6910 3.6910 4.8040 4.8040 4.8040 4.8040 5.4449 5.4449 5.4449 5.4449 5.8781 5.8781 5.8781 5.8781 7.1071 7.1071 7.1071 7.1071 8.8946 8.8946 8.8946 8.8946 11.6896 11.6896 11.6896 11.6896 13.1591 13.1591 13.1591 13.1591 16.8868 16.8868 16.8868 16.8868 k =-0.2353 0.2132 0.4096 ( 2840 PWs) bands (ev): -0.1730 -0.1730 -0.1730 -0.1730 3.4655 3.4655 3.4655 3.4655 3.7028 3.7028 3.7028 3.7028 4.7919 4.7919 4.7919 4.7919 5.4444 5.4444 5.4444 5.4444 5.8822 5.8822 5.8822 5.8822 7.0735 7.0735 7.0735 7.0735 8.8510 8.8510 8.8510 8.8510 11.5507 11.5507 11.5507 11.5507 13.2374 13.2374 13.2374 13.2374 16.9846 16.9846 16.9846 16.9846 k =-0.2451 0.2221 0.4096 ( 2840 PWs) bands (ev): -0.1466 -0.1466 -0.1466 -0.1466 3.4624 3.4624 3.4624 3.4624 3.7161 3.7161 3.7161 3.7161 4.7816 4.7816 4.7816 4.7816 5.4439 5.4439 5.4439 5.4439 5.8867 5.8867 5.8867 5.8867 7.0423 7.0423 7.0423 7.0423 8.8073 8.8073 8.8073 8.8073 11.3937 11.3937 11.3937 11.3937 13.3250 13.3250 13.3250 13.3250 17.0947 17.0947 17.0947 17.0947 k =-0.2549 0.2310 0.4096 ( 2836 PWs) bands (ev): -0.1207 -0.1207 -0.1207 -0.1207 3.4594 3.4594 3.4594 3.4594 3.7310 3.7310 3.7310 3.7310 4.7732 4.7732 4.7732 4.7732 5.4436 5.4436 5.4436 5.4436 5.8915 5.8915 5.8915 5.8915 7.0133 7.0133 7.0133 7.0133 8.7637 8.7637 8.7637 8.7637 11.2246 11.2246 11.2246 11.2246 13.4167 13.4167 13.4167 13.4167 17.2161 17.2161 17.2161 17.2161 k =-0.2647 0.2398 0.4096 ( 2832 PWs) bands (ev): -0.0955 -0.0955 -0.0955 -0.0955 3.4566 3.4566 3.4566 3.4566 3.7475 3.7475 3.7475 3.7475 4.7670 4.7670 4.7670 4.7670 5.4435 5.4435 5.4435 5.4435 5.8968 5.8968 5.8968 5.8968 6.9862 6.9862 6.9862 6.9862 8.7202 8.7202 8.7202 8.7202 11.0472 11.0472 11.0472 11.0472 13.5091 13.5091 13.5091 13.5091 17.3479 17.3479 17.3479 17.3479 k =-0.2745 0.2487 0.4096 ( 2840 PWs) bands (ev): -0.0712 -0.0712 -0.0712 -0.0712 3.4540 3.4540 3.4540 3.4540 3.7656 3.7656 3.7656 3.7656 4.7632 4.7632 4.7632 4.7632 5.4436 5.4436 5.4436 5.4436 5.9025 5.9025 5.9025 5.9025 6.9611 6.9611 6.9611 6.9611 8.6771 8.6771 8.6771 8.6771 10.8643 10.8643 10.8643 10.8643 13.6003 13.6003 13.6003 13.6003 17.4889 17.4889 17.4889 17.4889 k =-0.2843 0.2576 0.4096 ( 2840 PWs) bands (ev): -0.0477 -0.0477 -0.0477 -0.0477 3.4516 3.4516 3.4516 3.4516 3.7854 3.7854 3.7854 3.7854 4.7617 4.7617 4.7617 4.7617 5.4441 5.4441 5.4441 5.4441 5.9086 5.9086 5.9086 5.9086 6.9375 6.9375 6.9375 6.9375 8.6345 8.6345 8.6345 8.6345 10.6779 10.6779 10.6779 10.6779 13.6889 13.6889 13.6889 13.6889 17.6376 17.6376 17.6376 17.6376 k =-0.2941 0.2665 0.4096 ( 2848 PWs) bands (ev): -0.0254 -0.0254 -0.0254 -0.0254 3.4494 3.4494 3.4494 3.4494 3.8066 3.8066 3.8066 3.8066 4.7629 4.7629 4.7629 4.7629 5.4451 5.4451 5.4451 5.4451 5.9151 5.9151 5.9151 5.9151 6.9156 6.9156 6.9156 6.9156 8.5925 8.5925 8.5925 8.5925 10.4892 10.4892 10.4892 10.4892 13.7742 13.7742 13.7742 13.7742 17.7922 17.7922 17.7922 17.7922 k =-0.3039 0.2754 0.4096 ( 2848 PWs) bands (ev): -0.0042 -0.0042 -0.0042 -0.0042 3.4474 3.4474 3.4474 3.4474 3.8294 3.8294 3.8294 3.8294 4.7666 4.7666 4.7666 4.7666 5.4468 5.4468 5.4468 5.4468 5.9220 5.9220 5.9220 5.9220 6.8950 6.8950 6.8950 6.8950 8.5512 8.5512 8.5512 8.5512 10.2996 10.2996 10.2996 10.2996 13.8558 13.8558 13.8558 13.8558 17.9507 17.9507 17.9507 17.9507 k =-0.3137 0.2842 0.4096 ( 2848 PWs) bands (ev): 0.0158 0.0158 0.0158 0.0158 3.4456 3.4456 3.4456 3.4456 3.8533 3.8533 3.8533 3.8533 4.7732 4.7732 4.7732 4.7732 5.4492 5.4492 5.4492 5.4492 5.9293 5.9293 5.9293 5.9293 6.8758 6.8758 6.8758 6.8758 8.5107 8.5107 8.5107 8.5107 10.1097 10.1097 10.1097 10.1097 13.9334 13.9334 13.9334 13.9334 18.1103 18.1103 18.1103 18.1103 k =-0.3235 0.2931 0.4096 ( 2848 PWs) bands (ev): 0.0345 0.0345 0.0345 0.0345 3.4440 3.4440 3.4440 3.4440 3.8783 3.8783 3.8783 3.8783 4.7825 4.7825 4.7825 4.7825 5.4526 5.4526 5.4526 5.4526 5.9371 5.9371 5.9371 5.9371 6.8577 6.8577 6.8577 6.8577 8.4711 8.4711 8.4711 8.4711 9.9205 9.9205 9.9205 9.9205 14.0070 14.0070 14.0070 14.0070 18.2675 18.2675 18.2675 18.2675 k =-0.3333 0.3020 0.4096 ( 2852 PWs) bands (ev): 0.0519 0.0519 0.0519 0.0519 3.4426 3.4426 3.4426 3.4426 3.9040 3.9040 3.9040 3.9040 4.7946 4.7946 4.7946 4.7946 5.4573 5.4573 5.4573 5.4573 5.9455 5.9455 5.9455 5.9455 6.8407 6.8407 6.8407 6.8407 8.4325 8.4325 8.4325 8.4325 9.7327 9.7327 9.7327 9.7327 14.0765 14.0765 14.0765 14.0765 18.4178 18.4178 18.4178 18.4178 k =-0.3431 0.3109 0.4096 ( 2850 PWs) bands (ev): 0.0680 0.0680 0.0680 0.0680 3.4414 3.4414 3.4414 3.4414 3.9301 3.9301 3.9301 3.9301 4.8094 4.8094 4.8094 4.8094 5.4634 5.4634 5.4634 5.4634 5.9545 5.9545 5.9545 5.9545 6.8246 6.8246 6.8246 6.8246 8.3949 8.3949 8.3949 8.3949 9.5468 9.5468 9.5468 9.5468 14.1419 14.1419 14.1419 14.1419 18.5561 18.5561 18.5561 18.5561 k =-0.3529 0.3198 0.4096 ( 2842 PWs) bands (ev): 0.0827 0.0827 0.0827 0.0827 3.4403 3.4403 3.4403 3.4403 3.9563 3.9563 3.9563 3.9563 4.8268 4.8268 4.8268 4.8268 5.4714 5.4714 5.4714 5.4714 5.9641 5.9641 5.9641 5.9641 6.8094 6.8094 6.8094 6.8094 8.3582 8.3582 8.3582 8.3582 9.3637 9.3637 9.3637 9.3637 14.2034 14.2034 14.2034 14.2034 18.6768 18.6768 18.6768 18.6768 k =-0.3627 0.3287 0.4096 ( 2846 PWs) bands (ev): 0.0961 0.0961 0.0961 0.0961 3.4395 3.4395 3.4395 3.4395 3.9821 3.9821 3.9821 3.9821 4.8465 4.8465 4.8465 4.8465 5.4815 5.4815 5.4815 5.4815 5.9747 5.9747 5.9747 5.9747 6.7950 6.7950 6.7950 6.7950 8.3223 8.3223 8.3223 8.3223 9.1840 9.1840 9.1840 9.1840 14.2608 14.2608 14.2608 14.2608 18.7762 18.7762 18.7762 18.7762 k =-0.3725 0.3375 0.4096 ( 2834 PWs) bands (ev): 0.1083 0.1083 0.1083 0.1083 3.4387 3.4387 3.4387 3.4387 4.0071 4.0071 4.0071 4.0071 4.8681 4.8681 4.8681 4.8681 5.4943 5.4943 5.4943 5.4943 5.9863 5.9863 5.9863 5.9863 6.7813 6.7813 6.7813 6.7813 8.2869 8.2869 8.2869 8.2869 9.0087 9.0087 9.0087 9.0087 14.3144 14.3144 14.3144 14.3144 18.8532 18.8532 18.8532 18.8532 k =-0.3824 0.3464 0.4096 ( 2842 PWs) bands (ev): 0.1191 0.1191 0.1191 0.1191 3.4381 3.4381 3.4381 3.4381 4.0311 4.0311 4.0311 4.0311 4.8910 4.8910 4.8910 4.8910 5.5099 5.5099 5.5099 5.5099 5.9992 5.9992 5.9992 5.9992 6.7682 6.7682 6.7682 6.7682 8.2512 8.2512 8.2512 8.2512 8.8392 8.8392 8.8392 8.8392 14.3641 14.3641 14.3641 14.3641 18.9101 18.9101 18.9101 18.9101 k =-0.3922 0.3553 0.4096 ( 2842 PWs) bands (ev): 0.1288 0.1288 0.1288 0.1288 3.4376 3.4376 3.4376 3.4376 4.0537 4.0537 4.0537 4.0537 4.9145 4.9145 4.9145 4.9145 5.5288 5.5288 5.5288 5.5288 6.0139 6.0139 6.0139 6.0139 6.7555 6.7555 6.7555 6.7555 8.2136 8.2136 8.2136 8.2136 8.6780 8.6780 8.6780 8.6780 14.4099 14.4099 14.4099 14.4099 18.9509 18.9509 18.9509 18.9509 k =-0.4020 0.3642 0.4096 ( 2846 PWs) bands (ev): 0.1373 0.1373 0.1373 0.1373 3.4372 3.4372 3.4372 3.4372 4.0747 4.0747 4.0747 4.0747 4.9379 4.9379 4.9379 4.9379 5.5509 5.5509 5.5509 5.5509 6.0309 6.0309 6.0309 6.0309 6.7431 6.7431 6.7431 6.7431 8.1704 8.1704 8.1704 8.1704 8.5292 8.5292 8.5292 8.5292 14.4518 14.4518 14.4518 14.4518 18.9798 18.9798 18.9798 18.9798 k =-0.4118 0.3731 0.4096 ( 2842 PWs) bands (ev): 0.1447 0.1447 0.1447 0.1447 3.4369 3.4369 3.4369 3.4369 4.0939 4.0939 4.0939 4.0939 4.9603 4.9603 4.9603 4.9603 5.5762 5.5762 5.5762 5.5762 6.0507 6.0507 6.0507 6.0507 6.7308 6.7308 6.7308 6.7308 8.1139 8.1139 8.1139 8.1139 8.4017 8.4017 8.4017 8.4017 14.4899 14.4899 14.4899 14.4899 19.0003 19.0003 19.0003 19.0003 k =-0.4216 0.3820 0.4096 ( 2850 PWs) bands (ev): 0.1511 0.1511 0.1511 0.1511 3.4367 3.4367 3.4367 3.4367 4.1111 4.1111 4.1111 4.1111 4.9810 4.9810 4.9810 4.9810 5.6038 5.6038 5.6038 5.6038 6.0743 6.0743 6.0743 6.0743 6.7183 6.7183 6.7183 6.7183 8.0335 8.0335 8.0335 8.0335 8.3069 8.3069 8.3069 8.3069 14.5241 14.5241 14.5241 14.5241 19.0148 19.0148 19.0148 19.0148 k =-0.4314 0.3908 0.4096 ( 2850 PWs) bands (ev): 0.1566 0.1566 0.1566 0.1566 3.4365 3.4365 3.4365 3.4365 4.1263 4.1263 4.1263 4.1263 4.9995 4.9995 4.9995 4.9995 5.6327 5.6327 5.6327 5.6327 6.1026 6.1026 6.1026 6.1026 6.7052 6.7052 6.7052 6.7052 7.9293 7.9293 7.9293 7.9293 8.2462 8.2462 8.2462 8.2462 14.5544 14.5544 14.5544 14.5544 19.0253 19.0253 19.0253 19.0253 k =-0.4412 0.3997 0.4096 ( 2846 PWs) bands (ev): 0.1612 0.1612 0.1612 0.1612 3.4364 3.4364 3.4364 3.4364 4.1394 4.1394 4.1394 4.1394 5.0155 5.0155 5.0155 5.0155 5.6613 5.6613 5.6613 5.6613 6.1363 6.1363 6.1363 6.1363 6.6911 6.6911 6.6911 6.6911 7.8146 7.8146 7.8146 7.8146 8.2080 8.2080 8.2080 8.2080 14.5807 14.5807 14.5807 14.5807 19.0329 19.0329 19.0329 19.0329 k =-0.4510 0.4086 0.4096 ( 2846 PWs) bands (ev): 0.1650 0.1650 0.1650 0.1650 3.4363 3.4363 3.4363 3.4363 4.1505 4.1505 4.1505 4.1505 5.0289 5.0289 5.0289 5.0289 5.6879 5.6879 5.6879 5.6879 6.1759 6.1759 6.1759 6.1759 6.6752 6.6752 6.6752 6.6752 7.7018 7.7018 7.7018 7.7018 8.1821 8.1821 8.1821 8.1821 14.6031 14.6031 14.6031 14.6031 19.0384 19.0384 19.0384 19.0384 k =-0.4608 0.4175 0.4096 ( 2842 PWs) bands (ev): 0.1680 0.1680 0.1680 0.1680 3.4363 3.4363 3.4363 3.4363 4.1595 4.1595 4.1595 4.1595 5.0395 5.0395 5.0395 5.0395 5.7111 5.7111 5.7111 5.7111 6.2207 6.2207 6.2207 6.2207 6.6569 6.6569 6.6569 6.6569 7.5985 7.5985 7.5985 7.5985 8.1637 8.1637 8.1637 8.1637 14.6215 14.6215 14.6215 14.6215 19.0425 19.0425 19.0425 19.0425 k =-0.4706 0.4264 0.4096 ( 2848 PWs) bands (ev): 0.1703 0.1703 0.1703 0.1703 3.4362 3.4362 3.4362 3.4362 4.1665 4.1665 4.1665 4.1665 5.0476 5.0476 5.0476 5.0476 5.7297 5.7297 5.7297 5.7297 6.2688 6.2688 6.2688 6.2688 6.6355 6.6355 6.6355 6.6355 7.5106 7.5106 7.5106 7.5106 8.1504 8.1504 8.1504 8.1504 14.6358 14.6358 14.6358 14.6358 19.0453 19.0453 19.0453 19.0453 k =-0.4804 0.4353 0.4096 ( 2852 PWs) bands (ev): 0.1719 0.1719 0.1719 0.1719 3.4362 3.4362 3.4362 3.4362 4.1714 4.1714 4.1714 4.1714 5.0532 5.0532 5.0532 5.0532 5.7431 5.7431 5.7431 5.7431 6.3157 6.3157 6.3157 6.3157 6.6120 6.6120 6.6120 6.6120 7.4430 7.4430 7.4430 7.4430 8.1414 8.1414 8.1414 8.1414 14.6461 14.6461 14.6461 14.6461 19.0472 19.0472 19.0472 19.0472 k =-0.4902 0.4441 0.4096 ( 2856 PWs) bands (ev): 0.1729 0.1729 0.1729 0.1729 3.4362 3.4362 3.4362 3.4362 4.1744 4.1744 4.1744 4.1744 5.0565 5.0565 5.0565 5.0565 5.7512 5.7512 5.7512 5.7512 6.3532 6.3532 6.3532 6.3532 6.5905 6.5905 6.5905 6.5905 7.4003 7.4003 7.4003 7.4003 8.1362 8.1362 8.1362 8.1362 14.6522 14.6522 14.6522 14.6522 19.0483 19.0483 19.0483 19.0483 k =-0.5000 0.4530 0.4096 ( 2848 PWs) bands (ev): 0.1732 0.1732 0.1732 0.1732 3.4362 3.4362 3.4362 3.4362 4.1754 4.1754 4.1754 4.1754 5.0576 5.0576 5.0576 5.0576 5.7538 5.7538 5.7538 5.7538 6.3685 6.3685 6.3685 6.3685 6.5810 6.5810 6.5810 6.5810 7.3857 7.3857 7.3857 7.3857 8.1344 8.1344 8.1344 8.1344 14.6543 14.6543 14.6543 14.6543 19.0487 19.0487 19.0487 19.0487 Writing output data file HgTe.save init_run : 3.09s CPU 13.75s WALL ( 1 calls) electrons : 745.84s CPU 755.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 745.80s CPU 754.82s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.89s WALL ( 1 calls) v_h : 0.05s CPU 0.11s WALL ( 1 calls) v_xc : 0.05s CPU 0.56s WALL ( 1 calls) newd : 0.35s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 422 calls) cegterg : 690.46s CPU 696.32s WALL ( 918 calls) Called by sum_band: Called by *egterg: h_psi : 312.14s CPU 322.70s WALL ( 16216 calls) s_psi : 43.90s CPU 44.40s WALL ( 16216 calls) g_psi : 0.60s CPU 0.71s WALL ( 14876 calls) cdiaghg : 231.48s CPU 228.75s WALL ( 15298 calls) cegterg:over : 66.70s CPU 62.10s WALL ( 14876 calls) cegterg:upda : 7.94s CPU 11.75s WALL ( 14876 calls) cegterg:last : 8.69s CPU 10.15s WALL ( 3606 calls) Called by h_psi: h_psi:vloc : 230.90s CPU 239.60s WALL ( 16216 calls) h_psi:vnl : 81.10s CPU 82.50s WALL ( 16216 calls) add_vuspsi : 27.60s CPU 32.92s WALL ( 16216 calls) General routines calbec : 53.45s CPU 49.48s WALL ( 16216 calls) fft : 0.31s CPU 1.45s WALL ( 19 calls) ffts : 0.05s CPU 0.09s WALL ( 4 calls) fftw : 218.74s CPU 222.94s WALL ( 1939964 calls) interpolate : 0.12s CPU 0.17s WALL ( 4 calls) davcio : 0.03s CPU 1.72s WALL ( 844 calls) Parallel routines fft_scatter : 159.13s CPU 157.92s WALL ( 1939987 calls) PWSCF : 13m24.75s CPU 15m50.14s WALL This run was terminated on: 5:20:30 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=