Program PWSCF v.5.1.1 starts on 18Jul2015 at 14:53:45 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: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 24 18 5 1798 1200 189 Max 25 19 6 1805 1227 202 Sum 1161 885 261 86387 58131 9281 bravais-lattice index = 14 lattice parameter (alat) = 7.6321 a.u. unit-cell volume = 1294.3581 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.632097 celldm(2)= 1.000000 celldm(3)= 2.911805 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.013481 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.013481 0.999909 0.000000 ) a(3) = ( 0.000000 0.000000 2.911805 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.013482 -0.000000 ) b(2) = ( 0.000000 1.000091 -0.000000 ) b(3) = ( 0.000000 0.000000 0.343430 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5067405 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4999546 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0089700 0.0090917 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0179400 0.0181835 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0269100 0.0272752 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0358799 0.0363669 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0448499 0.0454587 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0538199 0.0545504 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0627899 0.0636422 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0717599 0.0727339 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0807299 0.0818256 -0.0000000), wk = 0.0027174 k( 11) = ( 0.0896998 0.0909174 -0.0000000), wk = 0.0027174 k( 12) = ( 0.0986698 0.1000091 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1076398 0.1091008 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1166098 0.1181926 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1255798 0.1272843 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1345498 0.1363760 -0.0000000), wk = 0.0027174 k( 17) = ( 0.1435198 0.1454678 -0.0000000), wk = 0.0027174 k( 18) = ( 0.1524898 0.1545595 -0.0000000), wk = 0.0027174 k( 19) = ( 0.1614597 0.1636512 -0.0000000), wk = 0.0027174 k( 20) = ( 0.1704297 0.1727430 -0.0000000), wk = 0.0027174 k( 21) = ( 0.1793997 0.1818347 -0.0000000), wk = 0.0027174 k( 22) = ( 0.1883697 0.1909264 -0.0000000), wk = 0.0027174 k( 23) = ( 0.1973397 0.2000182 -0.0000000), wk = 0.0027174 k( 24) = ( 0.2063097 0.2091099 -0.0000000), wk = 0.0027174 k( 25) = ( 0.2152796 0.2182016 -0.0000000), wk = 0.0027174 k( 26) = ( 0.2242496 0.2272934 -0.0000000), wk = 0.0027174 k( 27) = ( 0.2332196 0.2363851 -0.0000000), wk = 0.0027174 k( 28) = ( 0.2421896 0.2454769 -0.0000000), wk = 0.0027174 k( 29) = ( 0.2511596 0.2545686 -0.0000000), wk = 0.0027174 k( 30) = ( 0.2601296 0.2636603 -0.0000000), wk = 0.0027174 k( 31) = ( 0.2690996 0.2727521 -0.0000000), wk = 0.0027174 k( 32) = ( 0.2780695 0.2818438 -0.0000000), wk = 0.0027174 k( 33) = ( 0.2870395 0.2909355 -0.0000000), wk = 0.0027174 k( 34) = ( 0.2960095 0.3000273 -0.0000000), wk = 0.0027174 k( 35) = ( 0.3049795 0.3091190 -0.0000000), wk = 0.0027174 k( 36) = ( 0.3139495 0.3182107 -0.0000000), wk = 0.0027174 k( 37) = ( 0.3229195 0.3273025 -0.0000000), wk = 0.0027174 k( 38) = ( 0.3318894 0.3363942 -0.0000000), wk = 0.0027174 k( 39) = ( 0.3408594 0.3454859 -0.0000000), wk = 0.0027174 k( 40) = ( 0.3498294 0.3545777 -0.0000000), wk = 0.0027174 k( 41) = ( 0.3587994 0.3636694 -0.0000000), wk = 0.0027174 k( 42) = ( 0.3677694 0.3727611 -0.0000000), wk = 0.0027174 k( 43) = ( 0.3767394 0.3818529 -0.0000000), wk = 0.0027174 k( 44) = ( 0.3857094 0.3909446 -0.0000000), wk = 0.0027174 k( 45) = ( 0.3946793 0.4000363 -0.0000000), wk = 0.0027174 k( 46) = ( 0.4036493 0.4091281 -0.0000000), wk = 0.0027174 k( 47) = ( 0.4126193 0.4182198 -0.0000000), wk = 0.0027174 k( 48) = ( 0.4215893 0.4273116 -0.0000000), wk = 0.0027174 k( 49) = ( 0.4305593 0.4364033 -0.0000000), wk = 0.0027174 k( 50) = ( 0.4395293 0.4454950 -0.0000000), wk = 0.0027174 k( 51) = ( 0.4484993 0.4545868 -0.0000000), wk = 0.0027174 k( 52) = ( 0.4574692 0.4636785 -0.0000000), wk = 0.0027174 k( 53) = ( 0.4664392 0.4727702 -0.0000000), wk = 0.0027174 k( 54) = ( 0.4754092 0.4818620 -0.0000000), wk = 0.0027174 k( 55) = ( 0.4843792 0.4909537 -0.0000000), wk = 0.0027174 k( 56) = ( 0.4933492 0.5000454 -0.0000000), wk = 0.0027174 k( 57) = ( 0.4933492 0.5000454 -0.0000000), wk = 0.0027174 k( 58) = ( 0.4806992 0.5000454 -0.0000000), wk = 0.0027174 k( 59) = ( 0.4680492 0.5000454 -0.0000000), wk = 0.0027174 k( 60) = ( 0.4553992 0.5000454 -0.0000000), wk = 0.0027174 k( 61) = ( 0.4427493 0.5000454 -0.0000000), wk = 0.0027174 k( 62) = ( 0.4300993 0.5000454 -0.0000000), wk = 0.0027174 k( 63) = ( 0.4174493 0.5000454 -0.0000000), wk = 0.0027174 k( 64) = ( 0.4047993 0.5000454 -0.0000000), wk = 0.0027174 k( 65) = ( 0.3921494 0.5000454 -0.0000000), wk = 0.0027174 k( 66) = ( 0.3794994 0.5000454 -0.0000000), wk = 0.0027174 k( 67) = ( 0.3668494 0.5000454 -0.0000000), wk = 0.0027174 k( 68) = ( 0.3541994 0.5000454 -0.0000000), wk = 0.0027174 k( 69) = ( 0.3415494 0.5000454 -0.0000000), wk = 0.0027174 k( 70) = ( 0.3288994 0.5000454 -0.0000000), wk = 0.0027174 k( 71) = ( 0.3162495 0.5000454 -0.0000000), wk = 0.0027174 k( 72) = ( 0.3035995 0.5000454 -0.0000000), wk = 0.0027174 k( 73) = ( 0.2909495 0.5000454 -0.0000000), wk = 0.0027174 k( 74) = ( 0.2782995 0.5000454 -0.0000000), wk = 0.0027174 k( 75) = ( 0.2656496 0.5000454 -0.0000000), wk = 0.0027174 k( 76) = ( 0.2529996 0.5000454 -0.0000000), wk = 0.0027174 k( 77) = ( 0.2403496 0.5000454 -0.0000000), wk = 0.0027174 k( 78) = ( 0.2276996 0.5000454 -0.0000000), wk = 0.0027174 k( 79) = ( 0.2150496 0.5000454 -0.0000000), wk = 0.0027174 k( 80) = ( 0.2023997 0.5000454 -0.0000000), wk = 0.0027174 k( 81) = ( 0.1897497 0.5000454 -0.0000000), wk = 0.0027174 k( 82) = ( 0.1770997 0.5000454 -0.0000000), wk = 0.0027174 k( 83) = ( 0.1644497 0.5000454 -0.0000000), wk = 0.0027174 k( 84) = ( 0.1517998 0.5000454 -0.0000000), wk = 0.0027174 k( 85) = ( 0.1391498 0.5000454 -0.0000000), wk = 0.0027174 k( 86) = ( 0.1264998 0.5000454 -0.0000000), wk = 0.0027174 k( 87) = ( 0.1138498 0.5000454 -0.0000000), wk = 0.0027174 k( 88) = ( 0.1011998 0.5000454 -0.0000000), wk = 0.0027174 k( 89) = ( 0.0885498 0.5000454 -0.0000000), wk = 0.0027174 k( 90) = ( 0.0758999 0.5000454 -0.0000000), wk = 0.0027174 k( 91) = ( 0.0632499 0.5000454 -0.0000000), wk = 0.0027174 k( 92) = ( 0.0505999 0.5000454 -0.0000000), wk = 0.0027174 k( 93) = ( 0.0379499 0.5000454 -0.0000000), wk = 0.0027174 k( 94) = ( 0.0253000 0.5000454 -0.0000000), wk = 0.0027174 k( 95) = ( 0.0126500 0.5000454 -0.0000000), wk = 0.0027174 k( 96) = ( 0.0000000 0.5000454 -0.0000000), wk = 0.0027174 k( 97) = ( 0.0000000 0.5000454 -0.0000000), wk = 0.0027174 k( 98) = ( 0.0000000 0.5000454 0.0122653), wk = 0.0027174 k( 99) = ( 0.0000000 0.5000454 0.0245307), wk = 0.0027174 k( 100) = ( 0.0000000 0.5000454 0.0367960), wk = 0.0027174 k( 101) = ( 0.0000000 0.5000454 0.0490614), wk = 0.0027174 k( 102) = ( 0.0000000 0.5000454 0.0613267), wk = 0.0027174 k( 103) = ( 0.0000000 0.5000454 0.0735921), wk = 0.0027174 k( 104) = ( 0.0000000 0.5000454 0.0858574), wk = 0.0027174 k( 105) = ( 0.0000000 0.5000454 0.0981227), wk = 0.0027174 k( 106) = ( 0.0000000 0.5000454 0.1103881), wk = 0.0027174 k( 107) = ( 0.0000000 0.5000454 0.1226534), wk = 0.0027174 k( 108) = ( 0.0000000 0.5000454 0.1349188), wk = 0.0027174 k( 109) = ( 0.0000000 0.5000454 0.1471841), wk = 0.0027174 k( 110) = ( 0.0000000 0.5000454 0.1594495), wk = 0.0027174 k( 111) = ( 0.0000000 0.5000454 0.1717148), wk = 0.0027174 k( 112) = ( 0.0000000 0.5000454 0.1717148), wk = 0.0027174 k( 113) = ( 0.0126500 0.5000454 0.1717148), wk = 0.0027174 k( 114) = ( 0.0253000 0.5000454 0.1717148), wk = 0.0027174 k( 115) = ( 0.0379499 0.5000454 0.1717148), wk = 0.0027174 k( 116) = ( 0.0505999 0.5000454 0.1717148), wk = 0.0027174 k( 117) = ( 0.0632499 0.5000454 0.1717148), wk = 0.0027174 k( 118) = ( 0.0758999 0.5000454 0.1717148), wk = 0.0027174 k( 119) = ( 0.0885498 0.5000454 0.1717148), wk = 0.0027174 k( 120) = ( 0.1011998 0.5000454 0.1717148), wk = 0.0027174 k( 121) = ( 0.1138498 0.5000454 0.1717148), wk = 0.0027174 k( 122) = ( 0.1264998 0.5000454 0.1717148), wk = 0.0027174 k( 123) = ( 0.1391498 0.5000454 0.1717148), wk = 0.0027174 k( 124) = ( 0.1517998 0.5000454 0.1717148), wk = 0.0027174 k( 125) = ( 0.1644497 0.5000454 0.1717148), wk = 0.0027174 k( 126) = ( 0.1770997 0.5000454 0.1717148), wk = 0.0027174 k( 127) = ( 0.1897497 0.5000454 0.1717148), wk = 0.0027174 k( 128) = ( 0.2023997 0.5000454 0.1717148), wk = 0.0027174 k( 129) = ( 0.2150496 0.5000454 0.1717148), wk = 0.0027174 k( 130) = ( 0.2276996 0.5000454 0.1717148), wk = 0.0027174 k( 131) = ( 0.2403496 0.5000454 0.1717148), wk = 0.0027174 k( 132) = ( 0.2529996 0.5000454 0.1717148), wk = 0.0027174 k( 133) = ( 0.2656496 0.5000454 0.1717148), wk = 0.0027174 k( 134) = ( 0.2782995 0.5000454 0.1717148), wk = 0.0027174 k( 135) = ( 0.2909495 0.5000454 0.1717148), wk = 0.0027174 k( 136) = ( 0.3035995 0.5000454 0.1717148), wk = 0.0027174 k( 137) = ( 0.3162495 0.5000454 0.1717148), wk = 0.0027174 k( 138) = ( 0.3288994 0.5000454 0.1717148), wk = 0.0027174 k( 139) = ( 0.3415494 0.5000454 0.1717148), wk = 0.0027174 k( 140) = ( 0.3541994 0.5000454 0.1717148), wk = 0.0027174 k( 141) = ( 0.3668494 0.5000454 0.1717148), wk = 0.0027174 k( 142) = ( 0.3794994 0.5000454 0.1717148), wk = 0.0027174 k( 143) = ( 0.3921494 0.5000454 0.1717148), wk = 0.0027174 k( 144) = ( 0.4047993 0.5000454 0.1717148), wk = 0.0027174 k( 145) = ( 0.4174493 0.5000454 0.1717148), wk = 0.0027174 k( 146) = ( 0.4300993 0.5000454 0.1717148), wk = 0.0027174 k( 147) = ( 0.4427493 0.5000454 0.1717148), wk = 0.0027174 k( 148) = ( 0.4553992 0.5000454 0.1717148), wk = 0.0027174 k( 149) = ( 0.4680492 0.5000454 0.1717148), wk = 0.0027174 k( 150) = ( 0.4806992 0.5000454 0.1717148), wk = 0.0027174 k( 151) = ( 0.4933492 0.5000454 0.1717148), wk = 0.0027174 k( 152) = ( 0.4933492 0.5000454 0.1717148), wk = 0.0027174 k( 153) = ( 0.4843792 0.4909537 0.1717148), wk = 0.0027174 k( 154) = ( 0.4754092 0.4818620 0.1717148), wk = 0.0027174 k( 155) = ( 0.4664392 0.4727702 0.1717148), wk = 0.0027174 k( 156) = ( 0.4574692 0.4636785 0.1717148), wk = 0.0027174 k( 157) = ( 0.4484993 0.4545868 0.1717148), wk = 0.0027174 k( 158) = ( 0.4395293 0.4454950 0.1717148), wk = 0.0027174 k( 159) = ( 0.4305593 0.4364033 0.1717148), wk = 0.0027174 k( 160) = ( 0.4215893 0.4273116 0.1717148), wk = 0.0027174 k( 161) = ( 0.4126193 0.4182198 0.1717148), wk = 0.0027174 k( 162) = ( 0.4036493 0.4091281 0.1717148), wk = 0.0027174 k( 163) = ( 0.3946793 0.4000363 0.1717148), wk = 0.0027174 k( 164) = ( 0.3857094 0.3909446 0.1717148), wk = 0.0027174 k( 165) = ( 0.3767394 0.3818529 0.1717148), wk = 0.0027174 k( 166) = ( 0.3677694 0.3727611 0.1717148), wk = 0.0027174 k( 167) = ( 0.3587994 0.3636694 0.1717148), wk = 0.0027174 k( 168) = ( 0.3498294 0.3545777 0.1717148), wk = 0.0027174 k( 169) = ( 0.3408594 0.3454859 0.1717148), wk = 0.0027174 k( 170) = ( 0.3318894 0.3363942 0.1717148), wk = 0.0027174 k( 171) = ( 0.3229195 0.3273025 0.1717148), wk = 0.0027174 k( 172) = ( 0.3139495 0.3182107 0.1717148), wk = 0.0027174 k( 173) = ( 0.3049795 0.3091190 0.1717148), wk = 0.0027174 k( 174) = ( 0.2960095 0.3000273 0.1717148), wk = 0.0027174 k( 175) = ( 0.2870395 0.2909355 0.1717148), wk = 0.0027174 k( 176) = ( 0.2780695 0.2818438 0.1717148), wk = 0.0027174 k( 177) = ( 0.2690996 0.2727521 0.1717148), wk = 0.0027174 k( 178) = ( 0.2601296 0.2636603 0.1717148), wk = 0.0027174 k( 179) = ( 0.2511596 0.2545686 0.1717148), wk = 0.0027174 k( 180) = ( 0.2421896 0.2454769 0.1717148), wk = 0.0027174 k( 181) = ( 0.2332196 0.2363851 0.1717148), wk = 0.0027174 k( 182) = ( 0.2242496 0.2272934 0.1717148), wk = 0.0027174 k( 183) = ( 0.2152796 0.2182016 0.1717148), wk = 0.0027174 k( 184) = ( 0.2063097 0.2091099 0.1717148), wk = 0.0027174 k( 185) = ( 0.1973397 0.2000182 0.1717148), wk = 0.0027174 k( 186) = ( 0.1883697 0.1909264 0.1717148), wk = 0.0027174 k( 187) = ( 0.1793997 0.1818347 0.1717148), wk = 0.0027174 k( 188) = ( 0.1704297 0.1727430 0.1717148), wk = 0.0027174 k( 189) = ( 0.1614597 0.1636512 0.1717148), wk = 0.0027174 k( 190) = ( 0.1524898 0.1545595 0.1717148), wk = 0.0027174 k( 191) = ( 0.1435198 0.1454678 0.1717148), wk = 0.0027174 k( 192) = ( 0.1345498 0.1363760 0.1717148), wk = 0.0027174 k( 193) = ( 0.1255798 0.1272843 0.1717148), wk = 0.0027174 k( 194) = ( 0.1166098 0.1181926 0.1717148), wk = 0.0027174 k( 195) = ( 0.1076398 0.1091008 0.1717148), wk = 0.0027174 k( 196) = ( 0.0986698 0.1000091 0.1717148), wk = 0.0027174 k( 197) = ( 0.0896998 0.0909174 0.1717148), wk = 0.0027174 k( 198) = ( 0.0807299 0.0818256 0.1717148), wk = 0.0027174 k( 199) = ( 0.0717599 0.0727339 0.1717148), wk = 0.0027174 k( 200) = ( 0.0627899 0.0636422 0.1717148), wk = 0.0027174 k( 201) = ( 0.0538199 0.0545504 0.1717148), wk = 0.0027174 k( 202) = ( 0.0448499 0.0454587 0.1717148), wk = 0.0027174 k( 203) = ( 0.0358799 0.0363669 0.1717148), wk = 0.0027174 k( 204) = ( 0.0269100 0.0272752 0.1717148), wk = 0.0027174 k( 205) = ( 0.0179400 0.0181835 0.1717148), wk = 0.0027174 k( 206) = ( 0.0089700 0.0090917 0.1717148), wk = 0.0027174 k( 207) = ( 0.0000000 0.0000000 0.1717148), wk = 0.0027174 k( 208) = ( 0.0000000 0.0000000 0.1717148), wk = 0.0027174 k( 209) = ( 0.0000000 0.0000000 0.1594495), wk = 0.0027174 k( 210) = ( 0.0000000 0.0000000 0.1471841), wk = 0.0027174 k( 211) = ( 0.0000000 0.0000000 0.1349188), wk = 0.0027174 k( 212) = ( 0.0000000 0.0000000 0.1226534), wk = 0.0027174 k( 213) = ( 0.0000000 0.0000000 0.1103881), wk = 0.0027174 k( 214) = ( 0.0000000 0.0000000 0.0981227), wk = 0.0027174 k( 215) = ( 0.0000000 0.0000000 0.0858574), wk = 0.0027174 k( 216) = ( 0.0000000 0.0000000 0.0735921), wk = 0.0027174 k( 217) = ( 0.0000000 0.0000000 0.0613267), wk = 0.0027174 k( 218) = ( 0.0000000 0.0000000 0.0490614), wk = 0.0027174 k( 219) = ( 0.0000000 0.0000000 0.0367960), wk = 0.0027174 k( 220) = ( 0.0000000 0.0000000 0.0245307), wk = 0.0027174 k( 221) = ( 0.0000000 0.0000000 0.0122653), wk = 0.0027174 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 224) = ( -0.0090909 0.0089692 0.0000000), wk = 0.0027174 k( 225) = ( -0.0181818 0.0179383 0.0000000), wk = 0.0027174 k( 226) = ( -0.0272727 0.0269075 0.0000000), wk = 0.0027174 k( 227) = ( -0.0363636 0.0358767 0.0000000), wk = 0.0027174 k( 228) = ( -0.0454546 0.0448459 0.0000000), wk = 0.0027174 k( 229) = ( -0.0545455 0.0538150 0.0000000), wk = 0.0027174 k( 230) = ( -0.0636364 0.0627842 0.0000000), wk = 0.0027174 k( 231) = ( -0.0727273 0.0717534 0.0000000), wk = 0.0027174 k( 232) = ( -0.0818182 0.0807225 0.0000000), wk = 0.0027174 k( 233) = ( -0.0909091 0.0896917 0.0000000), wk = 0.0027174 k( 234) = ( -0.1000000 0.0986609 0.0000000), wk = 0.0027174 k( 235) = ( -0.1090909 0.1076300 0.0000000), wk = 0.0027174 k( 236) = ( -0.1181818 0.1165992 0.0000000), wk = 0.0027174 k( 237) = ( -0.1272727 0.1255684 0.0000000), wk = 0.0027174 k( 238) = ( -0.1363636 0.1345376 0.0000000), wk = 0.0027174 k( 239) = ( -0.1454545 0.1435067 0.0000000), wk = 0.0027174 k( 240) = ( -0.1545455 0.1524759 0.0000000), wk = 0.0027174 k( 241) = ( -0.1636364 0.1614451 0.0000000), wk = 0.0027174 k( 242) = ( -0.1727273 0.1704142 0.0000000), wk = 0.0027174 k( 243) = ( -0.1818182 0.1793834 0.0000000), wk = 0.0027174 k( 244) = ( -0.1909091 0.1883526 0.0000000), wk = 0.0027174 k( 245) = ( -0.2000000 0.1973217 0.0000000), wk = 0.0027174 k( 246) = ( -0.2090909 0.2062909 0.0000000), wk = 0.0027174 k( 247) = ( -0.2181818 0.2152601 0.0000000), wk = 0.0027174 k( 248) = ( -0.2272727 0.2242293 0.0000000), wk = 0.0027174 k( 249) = ( -0.2363636 0.2331984 0.0000000), wk = 0.0027174 k( 250) = ( -0.2454545 0.2421676 0.0000000), wk = 0.0027174 k( 251) = ( -0.2545455 0.2511368 0.0000000), wk = 0.0027174 k( 252) = ( -0.2636364 0.2601059 0.0000000), wk = 0.0027174 k( 253) = ( -0.2727273 0.2690751 0.0000000), wk = 0.0027174 k( 254) = ( -0.2818182 0.2780443 0.0000000), wk = 0.0027174 k( 255) = ( -0.2909091 0.2870134 0.0000000), wk = 0.0027174 k( 256) = ( -0.3000000 0.2959826 0.0000000), wk = 0.0027174 k( 257) = ( -0.3090909 0.3049518 0.0000000), wk = 0.0027174 k( 258) = ( -0.3181818 0.3139210 0.0000000), wk = 0.0027174 k( 259) = ( -0.3272727 0.3228901 0.0000000), wk = 0.0027174 k( 260) = ( -0.3363636 0.3318593 0.0000000), wk = 0.0027174 k( 261) = ( -0.3454546 0.3408285 0.0000000), wk = 0.0027174 k( 262) = ( -0.3545454 0.3497976 0.0000000), wk = 0.0027174 k( 263) = ( -0.3636364 0.3587668 0.0000000), wk = 0.0027174 k( 264) = ( -0.3727273 0.3677360 0.0000000), wk = 0.0027174 k( 265) = ( -0.3818182 0.3767051 0.0000000), wk = 0.0027174 k( 266) = ( -0.3909091 0.3856743 0.0000000), wk = 0.0027174 k( 267) = ( -0.4000000 0.3946435 0.0000000), wk = 0.0027174 k( 268) = ( -0.4090909 0.4036126 0.0000000), wk = 0.0027174 k( 269) = ( -0.4181818 0.4125818 0.0000000), wk = 0.0027174 k( 270) = ( -0.4272727 0.4215510 0.0000000), wk = 0.0027174 k( 271) = ( -0.4363636 0.4305202 0.0000000), wk = 0.0027174 k( 272) = ( -0.4454546 0.4394893 0.0000000), wk = 0.0027174 k( 273) = ( -0.4545455 0.4484585 0.0000000), wk = 0.0027174 k( 274) = ( -0.4636364 0.4574277 0.0000000), wk = 0.0027174 k( 275) = ( -0.4727273 0.4663968 0.0000000), wk = 0.0027174 k( 276) = ( -0.4818182 0.4753660 0.0000000), wk = 0.0027174 k( 277) = ( -0.4909091 0.4843352 0.0000000), wk = 0.0027174 k( 278) = ( -0.5000000 0.4933043 0.0000000), wk = 0.0027174 k( 279) = ( -0.5000000 0.4933043 0.0000000), wk = 0.0027174 k( 280) = ( -0.4933492 0.5000454 -0.0000000), wk = 0.0027174 k( 281) = ( -0.4933492 0.5000454 -0.0000000), wk = 0.0027174 k( 282) = ( -0.4933492 0.5000454 0.0122653), wk = 0.0027174 k( 283) = ( -0.4933492 0.5000454 0.0245307), wk = 0.0027174 k( 284) = ( -0.4933492 0.5000454 0.0367960), wk = 0.0027174 k( 285) = ( -0.4933492 0.5000454 0.0490614), wk = 0.0027174 k( 286) = ( -0.4933492 0.5000454 0.0613267), wk = 0.0027174 k( 287) = ( -0.4933492 0.5000454 0.0735921), wk = 0.0027174 k( 288) = ( -0.4933492 0.5000454 0.0858574), wk = 0.0027174 k( 289) = ( -0.4933492 0.5000454 0.0981227), wk = 0.0027174 k( 290) = ( -0.4933492 0.5000454 0.1103881), wk = 0.0027174 k( 291) = ( -0.4933492 0.5000454 0.1226534), wk = 0.0027174 k( 292) = ( -0.4933492 0.5000454 0.1349188), wk = 0.0027174 k( 293) = ( -0.4933492 0.5000454 0.1471841), wk = 0.0027174 k( 294) = ( -0.4933492 0.5000454 0.1594495), wk = 0.0027174 k( 295) = ( -0.4933492 0.5000454 0.1717148), wk = 0.0027174 k( 296) = ( -0.4933492 0.5000454 0.1717148), wk = 0.0027174 k( 297) = ( -0.5000000 0.4933043 0.1717148), wk = 0.0027174 k( 298) = ( -0.5000000 0.4933043 0.1717148), wk = 0.0027174 k( 299) = ( -0.5000000 0.4933043 0.1594495), wk = 0.0027174 k( 300) = ( -0.5000000 0.4933043 0.1471841), wk = 0.0027174 k( 301) = ( -0.5000000 0.4933043 0.1349188), wk = 0.0027174 k( 302) = ( -0.5000000 0.4933043 0.1226534), wk = 0.0027174 k( 303) = ( -0.5000000 0.4933043 0.1103881), wk = 0.0027174 k( 304) = ( -0.5000000 0.4933043 0.0981227), wk = 0.0027174 k( 305) = ( -0.5000000 0.4933043 0.0858574), wk = 0.0027174 k( 306) = ( -0.5000000 0.4933043 0.0735921), wk = 0.0027174 k( 307) = ( -0.5000000 0.4933043 0.0613267), wk = 0.0027174 k( 308) = ( -0.5000000 0.4933043 0.0490614), wk = 0.0027174 k( 309) = ( -0.5000000 0.4933043 0.0367960), wk = 0.0027174 k( 310) = ( -0.5000000 0.4933043 0.0245307), wk = 0.0027174 k( 311) = ( -0.5000000 0.4933043 0.0122653), wk = 0.0027174 k( 312) = ( -0.5000000 0.4933043 0.0000000), wk = 0.0027174 k( 313) = ( 0.0000000 0.0000000 0.1717148), wk = 0.0027174 k( 314) = ( -0.0090909 0.0089692 0.1717148), wk = 0.0027174 k( 315) = ( -0.0181818 0.0179383 0.1717148), wk = 0.0027174 k( 316) = ( -0.0272727 0.0269075 0.1717148), wk = 0.0027174 k( 317) = ( -0.0363636 0.0358767 0.1717148), wk = 0.0027174 k( 318) = ( -0.0454546 0.0448459 0.1717148), wk = 0.0027174 k( 319) = ( -0.0545455 0.0538150 0.1717148), wk = 0.0027174 k( 320) = ( -0.0636364 0.0627842 0.1717148), wk = 0.0027174 k( 321) = ( -0.0727273 0.0717534 0.1717148), wk = 0.0027174 k( 322) = ( -0.0818182 0.0807225 0.1717148), wk = 0.0027174 k( 323) = ( -0.0909091 0.0896917 0.1717148), wk = 0.0027174 k( 324) = ( -0.1000000 0.0986609 0.1717148), wk = 0.0027174 k( 325) = ( -0.1090909 0.1076300 0.1717148), wk = 0.0027174 k( 326) = ( -0.1181818 0.1165992 0.1717148), wk = 0.0027174 k( 327) = ( -0.1272727 0.1255684 0.1717148), wk = 0.0027174 k( 328) = ( -0.1363636 0.1345376 0.1717148), wk = 0.0027174 k( 329) = ( -0.1454545 0.1435067 0.1717148), wk = 0.0027174 k( 330) = ( -0.1545455 0.1524759 0.1717148), wk = 0.0027174 k( 331) = ( -0.1636364 0.1614451 0.1717148), wk = 0.0027174 k( 332) = ( -0.1727273 0.1704142 0.1717148), wk = 0.0027174 k( 333) = ( -0.1818182 0.1793834 0.1717148), wk = 0.0027174 k( 334) = ( -0.1909091 0.1883526 0.1717148), wk = 0.0027174 k( 335) = ( -0.2000000 0.1973217 0.1717148), wk = 0.0027174 k( 336) = ( -0.2090909 0.2062909 0.1717148), wk = 0.0027174 k( 337) = ( -0.2181818 0.2152601 0.1717148), wk = 0.0027174 k( 338) = ( -0.2272727 0.2242293 0.1717148), wk = 0.0027174 k( 339) = ( -0.2363636 0.2331984 0.1717148), wk = 0.0027174 k( 340) = ( -0.2454545 0.2421676 0.1717148), wk = 0.0027174 k( 341) = ( -0.2545455 0.2511368 0.1717148), wk = 0.0027174 k( 342) = ( -0.2636364 0.2601059 0.1717148), wk = 0.0027174 k( 343) = ( -0.2727273 0.2690751 0.1717148), wk = 0.0027174 k( 344) = ( -0.2818182 0.2780443 0.1717148), wk = 0.0027174 k( 345) = ( -0.2909091 0.2870134 0.1717148), wk = 0.0027174 k( 346) = ( -0.3000000 0.2959826 0.1717148), wk = 0.0027174 k( 347) = ( -0.3090909 0.3049518 0.1717148), wk = 0.0027174 k( 348) = ( -0.3181818 0.3139210 0.1717148), wk = 0.0027174 k( 349) = ( -0.3272727 0.3228901 0.1717148), wk = 0.0027174 k( 350) = ( -0.3363636 0.3318593 0.1717148), wk = 0.0027174 k( 351) = ( -0.3454546 0.3408285 0.1717148), wk = 0.0027174 k( 352) = ( -0.3545454 0.3497976 0.1717148), wk = 0.0027174 k( 353) = ( -0.3636364 0.3587668 0.1717148), wk = 0.0027174 k( 354) = ( -0.3727273 0.3677360 0.1717148), wk = 0.0027174 k( 355) = ( -0.3818182 0.3767051 0.1717148), wk = 0.0027174 k( 356) = ( -0.3909091 0.3856743 0.1717148), wk = 0.0027174 k( 357) = ( -0.4000000 0.3946435 0.1717148), wk = 0.0027174 k( 358) = ( -0.4090909 0.4036126 0.1717148), wk = 0.0027174 k( 359) = ( -0.4181818 0.4125818 0.1717148), wk = 0.0027174 k( 360) = ( -0.4272727 0.4215510 0.1717148), wk = 0.0027174 k( 361) = ( -0.4363636 0.4305202 0.1717148), wk = 0.0027174 k( 362) = ( -0.4454546 0.4394893 0.1717148), wk = 0.0027174 k( 363) = ( -0.4545455 0.4484585 0.1717148), wk = 0.0027174 k( 364) = ( -0.4636364 0.4574277 0.1717148), wk = 0.0027174 k( 365) = ( -0.4727273 0.4663968 0.1717148), wk = 0.0027174 k( 366) = ( -0.4818182 0.4753660 0.1717148), wk = 0.0027174 k( 367) = ( -0.4909091 0.4843352 0.1717148), wk = 0.0027174 k( 368) = ( -0.5000000 0.4933043 0.1717148), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0089700 0.0089700 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0179400 0.0179400 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0269100 0.0269100 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0358799 0.0358799 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0448499 0.0448499 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0538199 0.0538199 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0627899 0.0627899 0.0000000), wk = 0.0027174 k( 9) = ( 0.0717599 0.0717599 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0807299 0.0807299 -0.0000000), wk = 0.0027174 k( 11) = ( 0.0896998 0.0896998 -0.0000000), wk = 0.0027174 k( 12) = ( 0.0986698 0.0986698 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1076398 0.1076398 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1166098 0.1166098 0.0000000), wk = 0.0027174 k( 15) = ( 0.1255798 0.1255798 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1345498 0.1345498 -0.0000000), wk = 0.0027174 k( 17) = ( 0.1435198 0.1435198 -0.0000000), wk = 0.0027174 k( 18) = ( 0.1524898 0.1524897 -0.0000000), wk = 0.0027174 k( 19) = ( 0.1614597 0.1614597 0.0000000), wk = 0.0027174 k( 20) = ( 0.1704297 0.1704297 -0.0000000), wk = 0.0027174 k( 21) = ( 0.1793997 0.1793997 -0.0000000), wk = 0.0027174 k( 22) = ( 0.1883697 0.1883697 0.0000000), wk = 0.0027174 k( 23) = ( 0.1973397 0.1973397 -0.0000000), wk = 0.0027174 k( 24) = ( 0.2063097 0.2063097 0.0000000), wk = 0.0027174 k( 25) = ( 0.2152796 0.2152796 -0.0000000), wk = 0.0027174 k( 26) = ( 0.2242496 0.2242496 -0.0000000), wk = 0.0027174 k( 27) = ( 0.2332196 0.2332196 0.0000000), wk = 0.0027174 k( 28) = ( 0.2421896 0.2421896 -0.0000000), wk = 0.0027174 k( 29) = ( 0.2511596 0.2511596 -0.0000000), wk = 0.0027174 k( 30) = ( 0.2601296 0.2601296 -0.0000000), wk = 0.0027174 k( 31) = ( 0.2690996 0.2690996 -0.0000000), wk = 0.0027174 k( 32) = ( 0.2780695 0.2780695 -0.0000000), wk = 0.0027174 k( 33) = ( 0.2870395 0.2870395 -0.0000000), wk = 0.0027174 k( 34) = ( 0.2960095 0.2960095 -0.0000000), wk = 0.0027174 k( 35) = ( 0.3049795 0.3049795 0.0000000), wk = 0.0027174 k( 36) = ( 0.3139495 0.3139495 -0.0000000), wk = 0.0027174 k( 37) = ( 0.3229195 0.3229195 0.0000000), wk = 0.0027174 k( 38) = ( 0.3318894 0.3318894 0.0000000), wk = 0.0027174 k( 39) = ( 0.3408594 0.3408594 -0.0000000), wk = 0.0027174 k( 40) = ( 0.3498294 0.3498294 0.0000000), wk = 0.0027174 k( 41) = ( 0.3587994 0.3587994 -0.0000000), wk = 0.0027174 k( 42) = ( 0.3677694 0.3677694 0.0000000), wk = 0.0027174 k( 43) = ( 0.3767394 0.3767394 -0.0000000), wk = 0.0027174 k( 44) = ( 0.3857094 0.3857094 -0.0000000), wk = 0.0027174 k( 45) = ( 0.3946793 0.3946793 -0.0000000), wk = 0.0027174 k( 46) = ( 0.4036493 0.4036493 0.0000000), wk = 0.0027174 k( 47) = ( 0.4126193 0.4126193 -0.0000000), wk = 0.0027174 k( 48) = ( 0.4215893 0.4215893 -0.0000000), wk = 0.0027174 k( 49) = ( 0.4305593 0.4305593 -0.0000000), wk = 0.0027174 k( 50) = ( 0.4395293 0.4395293 0.0000000), wk = 0.0027174 k( 51) = ( 0.4484993 0.4484992 0.0000000), wk = 0.0027174 k( 52) = ( 0.4574692 0.4574692 0.0000000), wk = 0.0027174 k( 53) = ( 0.4664392 0.4664392 0.0000000), wk = 0.0027174 k( 54) = ( 0.4754092 0.4754092 -0.0000000), wk = 0.0027174 k( 55) = ( 0.4843792 0.4843792 0.0000000), wk = 0.0027174 k( 56) = ( 0.4933492 0.4933492 0.0000000), wk = 0.0027174 k( 57) = ( 0.4933492 0.4933492 0.0000000), wk = 0.0027174 k( 58) = ( 0.4806992 0.4935197 -0.0000000), wk = 0.0027174 k( 59) = ( 0.4680492 0.4936902 0.0000000), wk = 0.0027174 k( 60) = ( 0.4553992 0.4938608 0.0000000), wk = 0.0027174 k( 61) = ( 0.4427493 0.4940313 -0.0000000), wk = 0.0027174 k( 62) = ( 0.4300993 0.4942018 0.0000000), wk = 0.0027174 k( 63) = ( 0.4174493 0.4943724 -0.0000000), wk = 0.0027174 k( 64) = ( 0.4047993 0.4945429 0.0000000), wk = 0.0027174 k( 65) = ( 0.3921494 0.4947134 -0.0000000), wk = 0.0027174 k( 66) = ( 0.3794994 0.4948840 0.0000000), wk = 0.0027174 k( 67) = ( 0.3668494 0.4950545 -0.0000000), wk = 0.0027174 k( 68) = ( 0.3541994 0.4952250 0.0000000), wk = 0.0027174 k( 69) = ( 0.3415494 0.4953956 0.0000000), wk = 0.0027174 k( 70) = ( 0.3288994 0.4955661 0.0000000), wk = 0.0027174 k( 71) = ( 0.3162495 0.4957367 0.0000000), wk = 0.0027174 k( 72) = ( 0.3035995 0.4959072 0.0000000), wk = 0.0027174 k( 73) = ( 0.2909495 0.4960777 0.0000000), wk = 0.0027174 k( 74) = ( 0.2782995 0.4962483 0.0000000), wk = 0.0027174 k( 75) = ( 0.2656496 0.4964188 -0.0000000), wk = 0.0027174 k( 76) = ( 0.2529996 0.4965893 -0.0000000), wk = 0.0027174 k( 77) = ( 0.2403496 0.4967599 -0.0000000), wk = 0.0027174 k( 78) = ( 0.2276996 0.4969304 0.0000000), wk = 0.0027174 k( 79) = ( 0.2150496 0.4971009 -0.0000000), wk = 0.0027174 k( 80) = ( 0.2023997 0.4972715 -0.0000000), wk = 0.0027174 k( 81) = ( 0.1897497 0.4974420 -0.0000000), wk = 0.0027174 k( 82) = ( 0.1770997 0.4976125 0.0000000), wk = 0.0027174 k( 83) = ( 0.1644497 0.4977831 -0.0000000), wk = 0.0027174 k( 84) = ( 0.1517998 0.4979536 -0.0000000), wk = 0.0027174 k( 85) = ( 0.1391498 0.4981241 -0.0000000), wk = 0.0027174 k( 86) = ( 0.1264998 0.4982947 0.0000000), wk = 0.0027174 k( 87) = ( 0.1138498 0.4984652 -0.0000000), wk = 0.0027174 k( 88) = ( 0.1011998 0.4986357 -0.0000000), wk = 0.0027174 k( 89) = ( 0.0885498 0.4988063 -0.0000000), wk = 0.0027174 k( 90) = ( 0.0758999 0.4989768 0.0000000), wk = 0.0027174 k( 91) = ( 0.0632499 0.4991473 0.0000000), wk = 0.0027174 k( 92) = ( 0.0505999 0.4993179 -0.0000000), wk = 0.0027174 k( 93) = ( 0.0379499 0.4994884 -0.0000000), wk = 0.0027174 k( 94) = ( 0.0253000 0.4996589 0.0000000), wk = 0.0027174 k( 95) = ( 0.0126500 0.4998295 0.0000000), wk = 0.0027174 k( 96) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 98) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027174 k( 99) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027174 k( 100) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027174 k( 101) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027174 k( 102) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027174 k( 103) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027174 k( 104) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027174 k( 105) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027174 k( 106) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027174 k( 107) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027174 k( 108) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027174 k( 109) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027174 k( 110) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027174 k( 111) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 113) = ( 0.0126500 0.4998295 0.5000000), wk = 0.0027174 k( 114) = ( 0.0253000 0.4996589 0.5000000), wk = 0.0027174 k( 115) = ( 0.0379499 0.4994884 0.5000000), wk = 0.0027174 k( 116) = ( 0.0505999 0.4993179 0.5000000), wk = 0.0027174 k( 117) = ( 0.0632499 0.4991473 0.5000000), wk = 0.0027174 k( 118) = ( 0.0758999 0.4989768 0.5000000), wk = 0.0027174 k( 119) = ( 0.0885498 0.4988063 0.5000000), wk = 0.0027174 k( 120) = ( 0.1011998 0.4986357 0.5000000), wk = 0.0027174 k( 121) = ( 0.1138498 0.4984652 0.5000000), wk = 0.0027174 k( 122) = ( 0.1264998 0.4982947 0.5000000), wk = 0.0027174 k( 123) = ( 0.1391498 0.4981241 0.5000000), wk = 0.0027174 k( 124) = ( 0.1517998 0.4979536 0.5000000), wk = 0.0027174 k( 125) = ( 0.1644497 0.4977831 0.5000000), wk = 0.0027174 k( 126) = ( 0.1770997 0.4976125 0.5000000), wk = 0.0027174 k( 127) = ( 0.1897497 0.4974420 0.5000000), wk = 0.0027174 k( 128) = ( 0.2023997 0.4972715 0.5000000), wk = 0.0027174 k( 129) = ( 0.2150496 0.4971009 0.5000000), wk = 0.0027174 k( 130) = ( 0.2276996 0.4969304 0.5000000), wk = 0.0027174 k( 131) = ( 0.2403496 0.4967599 0.5000000), wk = 0.0027174 k( 132) = ( 0.2529996 0.4965893 0.5000000), wk = 0.0027174 k( 133) = ( 0.2656496 0.4964188 0.5000000), wk = 0.0027174 k( 134) = ( 0.2782995 0.4962483 0.5000000), wk = 0.0027174 k( 135) = ( 0.2909495 0.4960777 0.5000000), wk = 0.0027174 k( 136) = ( 0.3035995 0.4959072 0.5000000), wk = 0.0027174 k( 137) = ( 0.3162495 0.4957367 0.5000000), wk = 0.0027174 k( 138) = ( 0.3288994 0.4955661 0.5000000), wk = 0.0027174 k( 139) = ( 0.3415494 0.4953956 0.5000000), wk = 0.0027174 k( 140) = ( 0.3541994 0.4952250 0.5000000), wk = 0.0027174 k( 141) = ( 0.3668494 0.4950545 0.5000000), wk = 0.0027174 k( 142) = ( 0.3794994 0.4948840 0.5000000), wk = 0.0027174 k( 143) = ( 0.3921494 0.4947134 0.5000000), wk = 0.0027174 k( 144) = ( 0.4047993 0.4945429 0.5000000), wk = 0.0027174 k( 145) = ( 0.4174493 0.4943724 0.5000000), wk = 0.0027174 k( 146) = ( 0.4300993 0.4942018 0.5000000), wk = 0.0027174 k( 147) = ( 0.4427493 0.4940313 0.5000000), wk = 0.0027174 k( 148) = ( 0.4553992 0.4938608 0.5000000), wk = 0.0027174 k( 149) = ( 0.4680492 0.4936902 0.5000000), wk = 0.0027174 k( 150) = ( 0.4806992 0.4935197 0.5000000), wk = 0.0027174 k( 151) = ( 0.4933492 0.4933492 0.5000000), wk = 0.0027174 k( 152) = ( 0.4933492 0.4933492 0.5000000), wk = 0.0027174 k( 153) = ( 0.4843792 0.4843792 0.5000000), wk = 0.0027174 k( 154) = ( 0.4754092 0.4754092 0.5000000), wk = 0.0027174 k( 155) = ( 0.4664392 0.4664392 0.5000000), wk = 0.0027174 k( 156) = ( 0.4574692 0.4574692 0.5000000), wk = 0.0027174 k( 157) = ( 0.4484993 0.4484992 0.5000000), wk = 0.0027174 k( 158) = ( 0.4395293 0.4395293 0.5000000), wk = 0.0027174 k( 159) = ( 0.4305593 0.4305593 0.5000000), wk = 0.0027174 k( 160) = ( 0.4215893 0.4215893 0.5000000), wk = 0.0027174 k( 161) = ( 0.4126193 0.4126193 0.5000000), wk = 0.0027174 k( 162) = ( 0.4036493 0.4036493 0.5000000), wk = 0.0027174 k( 163) = ( 0.3946793 0.3946793 0.5000000), wk = 0.0027174 k( 164) = ( 0.3857094 0.3857094 0.5000000), wk = 0.0027174 k( 165) = ( 0.3767394 0.3767394 0.5000000), wk = 0.0027174 k( 166) = ( 0.3677694 0.3677694 0.5000000), wk = 0.0027174 k( 167) = ( 0.3587994 0.3587994 0.5000000), wk = 0.0027174 k( 168) = ( 0.3498294 0.3498294 0.5000000), wk = 0.0027174 k( 169) = ( 0.3408594 0.3408594 0.5000000), wk = 0.0027174 k( 170) = ( 0.3318894 0.3318894 0.5000000), wk = 0.0027174 k( 171) = ( 0.3229195 0.3229195 0.5000000), wk = 0.0027174 k( 172) = ( 0.3139495 0.3139495 0.5000000), wk = 0.0027174 k( 173) = ( 0.3049795 0.3049795 0.5000000), wk = 0.0027174 k( 174) = ( 0.2960095 0.2960095 0.5000000), wk = 0.0027174 k( 175) = ( 0.2870395 0.2870395 0.5000000), wk = 0.0027174 k( 176) = ( 0.2780695 0.2780695 0.5000000), wk = 0.0027174 k( 177) = ( 0.2690996 0.2690996 0.5000000), wk = 0.0027174 k( 178) = ( 0.2601296 0.2601296 0.5000000), wk = 0.0027174 k( 179) = ( 0.2511596 0.2511596 0.5000000), wk = 0.0027174 k( 180) = ( 0.2421896 0.2421896 0.5000000), wk = 0.0027174 k( 181) = ( 0.2332196 0.2332196 0.5000000), wk = 0.0027174 k( 182) = ( 0.2242496 0.2242496 0.5000000), wk = 0.0027174 k( 183) = ( 0.2152796 0.2152796 0.5000000), wk = 0.0027174 k( 184) = ( 0.2063097 0.2063097 0.5000000), wk = 0.0027174 k( 185) = ( 0.1973397 0.1973397 0.5000000), wk = 0.0027174 k( 186) = ( 0.1883697 0.1883697 0.5000000), wk = 0.0027174 k( 187) = ( 0.1793997 0.1793997 0.5000000), wk = 0.0027174 k( 188) = ( 0.1704297 0.1704297 0.5000000), wk = 0.0027174 k( 189) = ( 0.1614597 0.1614597 0.5000000), wk = 0.0027174 k( 190) = ( 0.1524898 0.1524897 0.5000000), wk = 0.0027174 k( 191) = ( 0.1435198 0.1435198 0.5000000), wk = 0.0027174 k( 192) = ( 0.1345498 0.1345498 0.5000000), wk = 0.0027174 k( 193) = ( 0.1255798 0.1255798 0.5000000), wk = 0.0027174 k( 194) = ( 0.1166098 0.1166098 0.5000000), wk = 0.0027174 k( 195) = ( 0.1076398 0.1076398 0.5000000), wk = 0.0027174 k( 196) = ( 0.0986698 0.0986698 0.5000000), wk = 0.0027174 k( 197) = ( 0.0896998 0.0896998 0.5000000), wk = 0.0027174 k( 198) = ( 0.0807299 0.0807299 0.5000000), wk = 0.0027174 k( 199) = ( 0.0717599 0.0717599 0.5000000), wk = 0.0027174 k( 200) = ( 0.0627899 0.0627899 0.5000000), wk = 0.0027174 k( 201) = ( 0.0538199 0.0538199 0.5000000), wk = 0.0027174 k( 202) = ( 0.0448499 0.0448499 0.5000000), wk = 0.0027174 k( 203) = ( 0.0358799 0.0358799 0.5000000), wk = 0.0027174 k( 204) = ( 0.0269100 0.0269100 0.5000000), wk = 0.0027174 k( 205) = ( 0.0179400 0.0179400 0.5000000), wk = 0.0027174 k( 206) = ( 0.0089700 0.0089700 0.5000000), wk = 0.0027174 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 209) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027174 k( 210) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027174 k( 211) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027174 k( 212) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027174 k( 213) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027174 k( 214) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027174 k( 215) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027174 k( 216) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027174 k( 217) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027174 k( 218) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027174 k( 219) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027174 k( 220) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027174 k( 221) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027174 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 224) = ( -0.0090909 0.0090909 -0.0000000), wk = 0.0027174 k( 225) = ( -0.0181818 0.0181818 -0.0000000), wk = 0.0027174 k( 226) = ( -0.0272727 0.0272727 -0.0000000), wk = 0.0027174 k( 227) = ( -0.0363636 0.0363636 -0.0000000), wk = 0.0027174 k( 228) = ( -0.0454546 0.0454545 -0.0000000), wk = 0.0027174 k( 229) = ( -0.0545455 0.0545455 0.0000000), wk = 0.0027174 k( 230) = ( -0.0636364 0.0636364 -0.0000000), wk = 0.0027174 k( 231) = ( -0.0727273 0.0727273 -0.0000000), wk = 0.0027174 k( 232) = ( -0.0818182 0.0818182 0.0000000), wk = 0.0027174 k( 233) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0027174 k( 234) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0027174 k( 235) = ( -0.1090909 0.1090909 -0.0000000), wk = 0.0027174 k( 236) = ( -0.1181818 0.1181818 -0.0000000), wk = 0.0027174 k( 237) = ( -0.1272727 0.1272727 -0.0000000), wk = 0.0027174 k( 238) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0027174 k( 239) = ( -0.1454545 0.1454545 0.0000000), wk = 0.0027174 k( 240) = ( -0.1545455 0.1545455 0.0000000), wk = 0.0027174 k( 241) = ( -0.1636364 0.1636364 0.0000000), wk = 0.0027174 k( 242) = ( -0.1727273 0.1727273 -0.0000000), wk = 0.0027174 k( 243) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0027174 k( 244) = ( -0.1909091 0.1909091 0.0000000), wk = 0.0027174 k( 245) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0027174 k( 246) = ( -0.2090909 0.2090909 -0.0000000), wk = 0.0027174 k( 247) = ( -0.2181818 0.2181818 -0.0000000), wk = 0.0027174 k( 248) = ( -0.2272727 0.2272727 -0.0000000), wk = 0.0027174 k( 249) = ( -0.2363636 0.2363636 -0.0000000), wk = 0.0027174 k( 250) = ( -0.2454545 0.2454545 -0.0000000), wk = 0.0027174 k( 251) = ( -0.2545455 0.2545455 -0.0000000), wk = 0.0027174 k( 252) = ( -0.2636364 0.2636364 -0.0000000), wk = 0.0027174 k( 253) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0027174 k( 254) = ( -0.2818182 0.2818182 -0.0000000), wk = 0.0027174 k( 255) = ( -0.2909091 0.2909091 -0.0000000), wk = 0.0027174 k( 256) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0027174 k( 257) = ( -0.3090909 0.3090909 0.0000000), wk = 0.0027174 k( 258) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0027174 k( 259) = ( -0.3272727 0.3272727 -0.0000000), wk = 0.0027174 k( 260) = ( -0.3363636 0.3363636 -0.0000000), wk = 0.0027174 k( 261) = ( -0.3454546 0.3454545 -0.0000000), wk = 0.0027174 k( 262) = ( -0.3545454 0.3545454 0.0000000), wk = 0.0027174 k( 263) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0027174 k( 264) = ( -0.3727273 0.3727273 -0.0000000), wk = 0.0027174 k( 265) = ( -0.3818182 0.3818182 0.0000000), wk = 0.0027174 k( 266) = ( -0.3909091 0.3909091 -0.0000000), wk = 0.0027174 k( 267) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0027174 k( 268) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0027174 k( 269) = ( -0.4181818 0.4181818 -0.0000000), wk = 0.0027174 k( 270) = ( -0.4272727 0.4272727 -0.0000000), wk = 0.0027174 k( 271) = ( -0.4363636 0.4363636 -0.0000000), wk = 0.0027174 k( 272) = ( -0.4454546 0.4454546 -0.0000000), wk = 0.0027174 k( 273) = ( -0.4545455 0.4545454 -0.0000000), wk = 0.0027174 k( 274) = ( -0.4636364 0.4636364 -0.0000000), wk = 0.0027174 k( 275) = ( -0.4727273 0.4727273 -0.0000000), wk = 0.0027174 k( 276) = ( -0.4818182 0.4818182 -0.0000000), wk = 0.0027174 k( 277) = ( -0.4909091 0.4909091 -0.0000000), wk = 0.0027174 k( 278) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 279) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 280) = ( -0.4933492 0.5066508 -0.0000000), wk = 0.0027174 k( 281) = ( -0.4933492 0.5066508 -0.0000000), wk = 0.0027174 k( 282) = ( -0.4933492 0.5066508 0.0357143), wk = 0.0027174 k( 283) = ( -0.4933492 0.5066508 0.0714286), wk = 0.0027174 k( 284) = ( -0.4933492 0.5066508 0.1071429), wk = 0.0027174 k( 285) = ( -0.4933492 0.5066508 0.1428571), wk = 0.0027174 k( 286) = ( -0.4933492 0.5066508 0.1785714), wk = 0.0027174 k( 287) = ( -0.4933492 0.5066508 0.2142857), wk = 0.0027174 k( 288) = ( -0.4933492 0.5066508 0.2500000), wk = 0.0027174 k( 289) = ( -0.4933492 0.5066508 0.2857143), wk = 0.0027174 k( 290) = ( -0.4933492 0.5066508 0.3214286), wk = 0.0027174 k( 291) = ( -0.4933492 0.5066508 0.3571429), wk = 0.0027174 k( 292) = ( -0.4933492 0.5066508 0.3928571), wk = 0.0027174 k( 293) = ( -0.4933492 0.5066508 0.4285714), wk = 0.0027174 k( 294) = ( -0.4933492 0.5066508 0.4642857), wk = 0.0027174 k( 295) = ( -0.4933492 0.5066508 0.5000000), wk = 0.0027174 k( 296) = ( -0.4933492 0.5066508 0.5000000), wk = 0.0027174 k( 297) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 298) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 299) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0027174 k( 300) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0027174 k( 301) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0027174 k( 302) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0027174 k( 303) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0027174 k( 304) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0027174 k( 305) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027174 k( 306) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0027174 k( 307) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0027174 k( 308) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0027174 k( 309) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0027174 k( 310) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0027174 k( 311) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0027174 k( 312) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 313) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 314) = ( -0.0090909 0.0090909 0.5000000), wk = 0.0027174 k( 315) = ( -0.0181818 0.0181818 0.5000000), wk = 0.0027174 k( 316) = ( -0.0272727 0.0272727 0.5000000), wk = 0.0027174 k( 317) = ( -0.0363636 0.0363636 0.5000000), wk = 0.0027174 k( 318) = ( -0.0454546 0.0454545 0.5000000), wk = 0.0027174 k( 319) = ( -0.0545455 0.0545455 0.5000000), wk = 0.0027174 k( 320) = ( -0.0636364 0.0636364 0.5000000), wk = 0.0027174 k( 321) = ( -0.0727273 0.0727273 0.5000000), wk = 0.0027174 k( 322) = ( -0.0818182 0.0818182 0.5000000), wk = 0.0027174 k( 323) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0027174 k( 324) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0027174 k( 325) = ( -0.1090909 0.1090909 0.5000000), wk = 0.0027174 k( 326) = ( -0.1181818 0.1181818 0.5000000), wk = 0.0027174 k( 327) = ( -0.1272727 0.1272727 0.5000000), wk = 0.0027174 k( 328) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0027174 k( 329) = ( -0.1454545 0.1454545 0.5000000), wk = 0.0027174 k( 330) = ( -0.1545455 0.1545455 0.5000000), wk = 0.0027174 k( 331) = ( -0.1636364 0.1636364 0.5000000), wk = 0.0027174 k( 332) = ( -0.1727273 0.1727273 0.5000000), wk = 0.0027174 k( 333) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0027174 k( 334) = ( -0.1909091 0.1909091 0.5000000), wk = 0.0027174 k( 335) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0027174 k( 336) = ( -0.2090909 0.2090909 0.5000000), wk = 0.0027174 k( 337) = ( -0.2181818 0.2181818 0.5000000), wk = 0.0027174 k( 338) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0027174 k( 339) = ( -0.2363636 0.2363636 0.5000000), wk = 0.0027174 k( 340) = ( -0.2454545 0.2454545 0.5000000), wk = 0.0027174 k( 341) = ( -0.2545455 0.2545455 0.5000000), wk = 0.0027174 k( 342) = ( -0.2636364 0.2636364 0.5000000), wk = 0.0027174 k( 343) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0027174 k( 344) = ( -0.2818182 0.2818182 0.5000000), wk = 0.0027174 k( 345) = ( -0.2909091 0.2909091 0.5000000), wk = 0.0027174 k( 346) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0027174 k( 347) = ( -0.3090909 0.3090909 0.5000000), wk = 0.0027174 k( 348) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0027174 k( 349) = ( -0.3272727 0.3272727 0.5000000), wk = 0.0027174 k( 350) = ( -0.3363636 0.3363636 0.5000000), wk = 0.0027174 k( 351) = ( -0.3454546 0.3454545 0.5000000), wk = 0.0027174 k( 352) = ( -0.3545454 0.3545454 0.5000000), wk = 0.0027174 k( 353) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0027174 k( 354) = ( -0.3727273 0.3727273 0.5000000), wk = 0.0027174 k( 355) = ( -0.3818182 0.3818182 0.5000000), wk = 0.0027174 k( 356) = ( -0.3909091 0.3909091 0.5000000), wk = 0.0027174 k( 357) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0027174 k( 358) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0027174 k( 359) = ( -0.4181818 0.4181818 0.5000000), wk = 0.0027174 k( 360) = ( -0.4272727 0.4272727 0.5000000), wk = 0.0027174 k( 361) = ( -0.4363636 0.4363636 0.5000000), wk = 0.0027174 k( 362) = ( -0.4454546 0.4454546 0.5000000), wk = 0.0027174 k( 363) = ( -0.4545455 0.4545454 0.5000000), wk = 0.0027174 k( 364) = ( -0.4636364 0.4636364 0.5000000), wk = 0.0027174 k( 365) = ( -0.4727273 0.4727273 0.5000000), wk = 0.0027174 k( 366) = ( -0.4818182 0.4818182 0.5000000), wk = 0.0027174 k( 367) = ( -0.4909091 0.4909091 0.5000000), wk = 0.0027174 k( 368) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 86387 G-vectors FFT dimensions: ( 40, 40, 120) Smooth grid: 58131 G-vectors FFT dimensions: ( 36, 36, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 316, 48) NL pseudopotentials 0.33 Mb ( 158, 136) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1804) G-vector shells 0.01 Mb ( 914) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 316, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat negative rho (up, down): 2.588E-04 0.000E+00 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 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 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 52.7 secs Computing kpt #: 7 total cpu time spent up to now is 55.1 secs Computing kpt #: 8 total cpu time spent up to now is 57.1 secs Computing kpt #: 9 total cpu time spent up to now is 59.1 secs Computing kpt #: 10 total cpu time spent up to now is 61.1 secs Computing kpt #: 11 total cpu time spent up to now is 63.1 secs Computing kpt #: 12 total cpu time spent up to now is 65.2 secs Computing kpt #: 13 total cpu time spent up to now is 67.3 secs Computing kpt #: 14 total cpu time spent up to now is 69.7 secs Computing kpt #: 15 total cpu time spent up to now is 71.9 secs Computing kpt #: 16 total cpu time spent up to now is 74.2 secs Computing kpt #: 17 total cpu time spent up to now is 76.1 secs Computing kpt #: 18 total cpu time spent up to now is 78.3 secs Computing kpt #: 19 total cpu time spent up to now is 80.1 secs Computing kpt #: 20 total cpu time spent up to now is 81.9 secs Computing kpt #: 21 total cpu time spent up to now is 83.7 secs Computing kpt #: 22 total cpu time spent up to now is 85.4 secs Computing kpt #: 23 total cpu time spent up to now is 87.2 secs Computing kpt #: 24 total cpu time spent up to now is 89.0 secs Computing kpt #: 25 total cpu time spent up to now is 90.8 secs Computing kpt #: 26 total cpu time spent up to now is 92.6 secs Computing kpt #: 27 total cpu time spent up to now is 94.4 secs Computing kpt #: 28 total cpu time spent up to now is 96.2 secs Computing kpt #: 29 total cpu time spent up to now is 98.0 secs Computing kpt #: 30 total cpu time spent up to now is 99.8 secs Computing kpt #: 31 total cpu time spent up to now is 101.5 secs Computing kpt #: 32 total cpu time spent up to now is 103.3 secs Computing kpt #: 33 total cpu time spent up to now is 105.6 secs Computing kpt #: 34 total cpu time spent up to now is 108.0 secs Computing kpt #: 35 total cpu time spent up to now is 110.8 secs Computing kpt #: 36 total cpu time spent up to now is 112.6 secs Computing kpt #: 37 total cpu time spent up to now is 114.4 secs Computing kpt #: 38 total cpu time spent up to now is 116.2 secs Computing kpt #: 39 total cpu time spent up to now is 118.1 secs Computing kpt #: 40 total cpu time spent up to now is 120.2 secs Computing kpt #: 41 total cpu time spent up to now is 122.1 secs Computing kpt #: 42 total cpu time spent up to now is 124.2 secs Computing kpt #: 43 total cpu time spent up to now is 126.0 secs Computing kpt #: 44 total cpu time spent up to now is 127.8 secs Computing kpt #: 45 total cpu time spent up to now is 129.7 secs Computing kpt #: 46 total cpu time spent up to now is 131.6 secs Computing kpt #: 47 total cpu time spent up to now is 133.4 secs Computing kpt #: 48 total cpu time spent up to now is 135.3 secs Computing kpt #: 49 total cpu time spent up to now is 137.1 secs Computing kpt #: 50 total cpu time spent up to now is 139.0 secs Computing kpt #: 51 total cpu time spent up to now is 141.0 secs Computing kpt #: 52 total cpu time spent up to now is 142.9 secs Computing kpt #: 53 total cpu time spent up to now is 144.8 secs Computing kpt #: 54 total cpu time spent up to now is 146.6 secs Computing kpt #: 55 total cpu time spent up to now is 148.5 secs Computing kpt #: 56 total cpu time spent up to now is 150.3 secs Computing kpt #: 57 total cpu time spent up to now is 152.1 secs Computing kpt #: 58 total cpu time spent up to now is 154.0 secs Computing kpt #: 59 total cpu time spent up to now is 156.0 secs Computing kpt #: 60 total cpu time spent up to now is 157.8 secs Computing kpt #: 61 total cpu time spent up to now is 159.7 secs Computing kpt #: 62 total cpu time spent up to now is 161.6 secs Computing kpt #: 63 total cpu time spent up to now is 163.5 secs Computing kpt #: 64 total cpu time spent up to now is 165.4 secs Computing kpt #: 65 total cpu time spent up to now is 167.3 secs Computing kpt #: 66 total cpu time spent up to now is 169.1 secs Computing kpt #: 67 total cpu time spent up to now is 171.0 secs Computing kpt #: 68 total cpu time spent up to now is 172.9 secs Computing kpt #: 69 total cpu time spent up to now is 174.7 secs Computing kpt #: 70 total cpu time spent up to now is 176.5 secs Computing kpt #: 71 total cpu time spent up to now is 178.3 secs Computing kpt #: 72 total cpu time spent up to now is 180.1 secs Computing kpt #: 73 total cpu time spent up to now is 181.8 secs Computing kpt #: 74 total cpu time spent up to now is 183.5 secs Computing kpt #: 75 total cpu time spent up to now is 185.3 secs Computing kpt #: 76 total cpu time spent up to now is 187.0 secs Computing kpt #: 77 total cpu time spent up to now is 188.5 secs Computing kpt #: 78 total cpu time spent up to now is 190.2 secs Computing kpt #: 79 total cpu time spent up to now is 191.9 secs Computing kpt #: 80 total cpu time spent up to now is 193.6 secs Computing kpt #: 81 total cpu time spent up to now is 195.3 secs Computing kpt #: 82 total cpu time spent up to now is 197.0 secs Computing kpt #: 83 total cpu time spent up to now is 198.5 secs Computing kpt #: 84 total cpu time spent up to now is 200.1 secs Computing kpt #: 85 total cpu time spent up to now is 201.8 secs Computing kpt #: 86 total cpu time spent up to now is 203.5 secs Computing kpt #: 87 total cpu time spent up to now is 205.2 secs Computing kpt #: 88 total cpu time spent up to now is 207.0 secs Computing kpt #: 89 total cpu time spent up to now is 208.8 secs Computing kpt #: 90 total cpu time spent up to now is 210.6 secs Computing kpt #: 91 total cpu time spent up to now is 212.3 secs Computing kpt #: 92 total cpu time spent up to now is 214.1 secs Computing kpt #: 93 total cpu time spent up to now is 215.9 secs Computing kpt #: 94 total cpu time spent up to now is 217.6 secs Computing kpt #: 95 total cpu time spent up to now is 219.5 secs Computing kpt #: 96 total cpu time spent up to now is 221.3 secs Computing kpt #: 97 total cpu time spent up to now is 222.9 secs Computing kpt #: 98 total cpu time spent up to now is 224.7 secs Computing kpt #: 99 total cpu time spent up to now is 226.3 secs Computing kpt #: 100 total cpu time spent up to now is 227.9 secs Computing kpt #: 101 total cpu time spent up to now is 229.4 secs Computing kpt #: 102 total cpu time spent up to now is 231.0 secs Computing kpt #: 103 total cpu time spent up to now is 232.7 secs Computing kpt #: 104 total cpu time spent up to now is 234.5 secs Computing kpt #: 105 total cpu time spent up to now is 236.1 secs Computing kpt #: 106 total cpu time spent up to now is 237.8 secs Computing kpt #: 107 total cpu time spent up to now is 239.6 secs Computing kpt #: 108 total cpu time spent up to now is 241.2 secs Computing kpt #: 109 total cpu time spent up to now is 243.0 secs Computing kpt #: 110 total cpu time spent up to now is 244.6 secs Computing kpt #: 111 total cpu time spent up to now is 246.3 secs Computing kpt #: 112 total cpu time spent up to now is 248.1 secs Computing kpt #: 113 total cpu time spent up to now is 249.8 secs Computing kpt #: 114 total cpu time spent up to now is 251.6 secs Computing kpt #: 115 total cpu time spent up to now is 253.4 secs Computing kpt #: 116 total cpu time spent up to now is 255.2 secs Computing kpt #: 117 total cpu time spent up to now is 256.9 secs Computing kpt #: 118 total cpu time spent up to now is 258.6 secs Computing kpt #: 119 total cpu time spent up to now is 260.4 secs Computing kpt #: 120 total cpu time spent up to now is 262.2 secs Computing kpt #: 121 total cpu time spent up to now is 264.1 secs Computing kpt #: 122 total cpu time spent up to now is 265.8 secs Computing kpt #: 123 total cpu time spent up to now is 267.6 secs Computing kpt #: 124 total cpu time spent up to now is 269.5 secs Computing kpt #: 125 total cpu time spent up to now is 271.2 secs Computing kpt #: 126 total cpu time spent up to now is 272.9 secs Computing kpt #: 127 total cpu time spent up to now is 274.7 secs Computing kpt #: 128 total cpu time spent up to now is 276.3 secs Computing kpt #: 129 total cpu time spent up to now is 278.0 secs Computing kpt #: 130 total cpu time spent up to now is 279.8 secs Computing kpt #: 131 total cpu time spent up to now is 281.3 secs Computing kpt #: 132 total cpu time spent up to now is 283.0 secs Computing kpt #: 133 total cpu time spent up to now is 284.7 secs Computing kpt #: 134 total cpu time spent up to now is 286.5 secs Computing kpt #: 135 total cpu time spent up to now is 288.2 secs Computing kpt #: 136 total cpu time spent up to now is 289.9 secs Computing kpt #: 137 total cpu time spent up to now is 291.7 secs Computing kpt #: 138 total cpu time spent up to now is 293.5 secs Computing kpt #: 139 total cpu time spent up to now is 295.3 secs Computing kpt #: 140 total cpu time spent up to now is 297.2 secs Computing kpt #: 141 total cpu time spent up to now is 299.1 secs Computing kpt #: 142 total cpu time spent up to now is 300.9 secs Computing kpt #: 143 total cpu time spent up to now is 302.8 secs Computing kpt #: 144 total cpu time spent up to now is 304.8 secs Computing kpt #: 145 total cpu time spent up to now is 306.6 secs Computing kpt #: 146 total cpu time spent up to now is 308.5 secs Computing kpt #: 147 total cpu time spent up to now is 310.5 secs Computing kpt #: 148 total cpu time spent up to now is 312.4 secs Computing kpt #: 149 total cpu time spent up to now is 314.2 secs Computing kpt #: 150 total cpu time spent up to now is 316.1 secs Computing kpt #: 151 total cpu time spent up to now is 318.0 secs Computing kpt #: 152 total cpu time spent up to now is 319.8 secs Computing kpt #: 153 total cpu time spent up to now is 321.7 secs Computing kpt #: 154 total cpu time spent up to now is 323.6 secs Computing kpt #: 155 total cpu time spent up to now is 325.4 secs Computing kpt #: 156 total cpu time spent up to now is 327.4 secs Computing kpt #: 157 total cpu time spent up to now is 329.3 secs Computing kpt #: 158 total cpu time spent up to now is 331.2 secs Computing kpt #: 159 total cpu time spent up to now is 333.1 secs Computing kpt #: 160 total cpu time spent up to now is 334.9 secs Computing kpt #: 161 total cpu time spent up to now is 336.7 secs Computing kpt #: 162 total cpu time spent up to now is 338.7 secs Computing kpt #: 163 total cpu time spent up to now is 340.5 secs Computing kpt #: 164 total cpu time spent up to now is 342.4 secs Computing kpt #: 165 total cpu time spent up to now is 344.3 secs Computing kpt #: 166 total cpu time spent up to now is 346.3 secs Computing kpt #: 167 total cpu time spent up to now is 348.3 secs Computing kpt #: 168 total cpu time spent up to now is 350.3 secs Computing kpt #: 169 total cpu time spent up to now is 352.1 secs Computing kpt #: 170 total cpu time spent up to now is 353.9 secs Computing kpt #: 171 total cpu time spent up to now is 355.7 secs Computing kpt #: 172 total cpu time spent up to now is 358.2 secs Computing kpt #: 173 total cpu time spent up to now is 360.6 secs Computing kpt #: 174 total cpu time spent up to now is 362.9 secs Computing kpt #: 175 total cpu time spent up to now is 365.3 secs Computing kpt #: 176 total cpu time spent up to now is 367.0 secs Computing kpt #: 177 total cpu time spent up to now is 368.9 secs Computing kpt #: 178 total cpu time spent up to now is 370.8 secs Computing kpt #: 179 total cpu time spent up to now is 372.7 secs Computing kpt #: 180 total cpu time spent up to now is 374.6 secs Computing kpt #: 181 total cpu time spent up to now is 376.6 secs Computing kpt #: 182 total cpu time spent up to now is 378.4 secs Computing kpt #: 183 total cpu time spent up to now is 380.2 secs Computing kpt #: 184 total cpu time spent up to now is 382.1 secs Computing kpt #: 185 total cpu time spent up to now is 384.1 secs Computing kpt #: 186 total cpu time spent up to now is 386.1 secs Computing kpt #: 187 total cpu time spent up to now is 388.2 secs Computing kpt #: 188 total cpu time spent up to now is 390.2 secs Computing kpt #: 189 total cpu time spent up to now is 392.0 secs Computing kpt #: 190 total cpu time spent up to now is 394.4 secs Computing kpt #: 191 total cpu time spent up to now is 396.2 secs Computing kpt #: 192 total cpu time spent up to now is 398.1 secs Computing kpt #: 193 total cpu time spent up to now is 400.2 secs Computing kpt #: 194 total cpu time spent up to now is 402.9 secs Computing kpt #: 195 total cpu time spent up to now is 405.5 secs Computing kpt #: 196 total cpu time spent up to now is 407.6 secs Computing kpt #: 197 total cpu time spent up to now is 409.9 secs Computing kpt #: 198 total cpu time spent up to now is 412.0 secs Computing kpt #: 199 total cpu time spent up to now is 414.1 secs Computing kpt #: 200 total cpu time spent up to now is 416.2 secs Computing kpt #: 201 total cpu time spent up to now is 418.2 secs Computing kpt #: 202 total cpu time spent up to now is 420.6 secs Computing kpt #: 203 total cpu time spent up to now is 423.1 secs Computing kpt #: 204 total cpu time spent up to now is 425.5 secs Computing kpt #: 205 total cpu time spent up to now is 428.0 secs Computing kpt #: 206 total cpu time spent up to now is 430.3 secs Computing kpt #: 207 total cpu time spent up to now is 432.6 secs Computing kpt #: 208 total cpu time spent up to now is 434.8 secs Computing kpt #: 209 total cpu time spent up to now is 437.1 secs Computing kpt #: 210 total cpu time spent up to now is 439.5 secs Computing kpt #: 211 total cpu time spent up to now is 441.6 secs Computing kpt #: 212 total cpu time spent up to now is 444.0 secs Computing kpt #: 213 total cpu time spent up to now is 446.4 secs Computing kpt #: 214 total cpu time spent up to now is 448.8 secs Computing kpt #: 215 total cpu time spent up to now is 451.2 secs Computing kpt #: 216 total cpu time spent up to now is 453.6 secs Computing kpt #: 217 total cpu time spent up to now is 455.7 secs Computing kpt #: 218 total cpu time spent up to now is 457.8 secs Computing kpt #: 219 total cpu time spent up to now is 459.8 secs Computing kpt #: 220 total cpu time spent up to now is 461.8 secs Computing kpt #: 221 total cpu time spent up to now is 463.6 secs Computing kpt #: 222 total cpu time spent up to now is 465.6 secs Computing kpt #: 223 total cpu time spent up to now is 467.6 secs Computing kpt #: 224 total cpu time spent up to now is 469.7 secs Computing kpt #: 225 total cpu time spent up to now is 471.8 secs Computing kpt #: 226 total cpu time spent up to now is 473.7 secs Computing kpt #: 227 total cpu time spent up to now is 475.7 secs Computing kpt #: 228 total cpu time spent up to now is 477.7 secs Computing kpt #: 229 total cpu time spent up to now is 479.8 secs Computing kpt #: 230 total cpu time spent up to now is 481.8 secs Computing kpt #: 231 total cpu time spent up to now is 483.8 secs Computing kpt #: 232 total cpu time spent up to now is 485.6 secs Computing kpt #: 233 total cpu time spent up to now is 487.5 secs Computing kpt #: 234 total cpu time spent up to now is 489.3 secs Computing kpt #: 235 total cpu time spent up to now is 491.1 secs Computing kpt #: 236 total cpu time spent up to now is 493.0 secs Computing kpt #: 237 total cpu time spent up to now is 494.8 secs Computing kpt #: 238 total cpu time spent up to now is 496.5 secs Computing kpt #: 239 total cpu time spent up to now is 498.3 secs Computing kpt #: 240 total cpu time spent up to now is 500.1 secs Computing kpt #: 241 total cpu time spent up to now is 501.9 secs Computing kpt #: 242 total cpu time spent up to now is 503.6 secs Computing kpt #: 243 total cpu time spent up to now is 505.3 secs Computing kpt #: 244 total cpu time spent up to now is 507.1 secs Computing kpt #: 245 total cpu time spent up to now is 508.9 secs Computing kpt #: 246 total cpu time spent up to now is 510.6 secs Computing kpt #: 247 total cpu time spent up to now is 512.3 secs Computing kpt #: 248 total cpu time spent up to now is 514.0 secs Computing kpt #: 249 total cpu time spent up to now is 515.7 secs Computing kpt #: 250 total cpu time spent up to now is 517.5 secs Computing kpt #: 251 total cpu time spent up to now is 519.2 secs Computing kpt #: 252 total cpu time spent up to now is 521.0 secs Computing kpt #: 253 total cpu time spent up to now is 522.7 secs Computing kpt #: 254 total cpu time spent up to now is 524.5 secs Computing kpt #: 255 total cpu time spent up to now is 526.3 secs Computing kpt #: 256 total cpu time spent up to now is 528.1 secs Computing kpt #: 257 total cpu time spent up to now is 529.9 secs Computing kpt #: 258 total cpu time spent up to now is 531.7 secs Computing kpt #: 259 total cpu time spent up to now is 533.6 secs Computing kpt #: 260 total cpu time spent up to now is 535.4 secs Computing kpt #: 261 total cpu time spent up to now is 537.3 secs Computing kpt #: 262 total cpu time spent up to now is 539.2 secs Computing kpt #: 263 total cpu time spent up to now is 541.3 secs Computing kpt #: 264 total cpu time spent up to now is 543.2 secs Computing kpt #: 265 total cpu time spent up to now is 545.1 secs Computing kpt #: 266 total cpu time spent up to now is 546.9 secs Computing kpt #: 267 total cpu time spent up to now is 548.9 secs Computing kpt #: 268 total cpu time spent up to now is 550.9 secs Computing kpt #: 269 total cpu time spent up to now is 552.8 secs Computing kpt #: 270 total cpu time spent up to now is 554.9 secs Computing kpt #: 271 total cpu time spent up to now is 556.8 secs Computing kpt #: 272 total cpu time spent up to now is 558.7 secs Computing kpt #: 273 total cpu time spent up to now is 560.5 secs Computing kpt #: 274 total cpu time spent up to now is 562.5 secs Computing kpt #: 275 total cpu time spent up to now is 564.4 secs Computing kpt #: 276 total cpu time spent up to now is 566.3 secs Computing kpt #: 277 total cpu time spent up to now is 568.2 secs Computing kpt #: 278 total cpu time spent up to now is 570.1 secs Computing kpt #: 279 total cpu time spent up to now is 571.9 secs Computing kpt #: 280 total cpu time spent up to now is 573.8 secs Computing kpt #: 281 total cpu time spent up to now is 575.6 secs Computing kpt #: 282 total cpu time spent up to now is 577.5 secs Computing kpt #: 283 total cpu time spent up to now is 579.4 secs Computing kpt #: 284 total cpu time spent up to now is 581.6 secs Computing kpt #: 285 total cpu time spent up to now is 583.5 secs Computing kpt #: 286 total cpu time spent up to now is 585.4 secs Computing kpt #: 287 total cpu time spent up to now is 587.3 secs Computing kpt #: 288 total cpu time spent up to now is 589.1 secs Computing kpt #: 289 total cpu time spent up to now is 591.0 secs Computing kpt #: 290 total cpu time spent up to now is 592.8 secs Computing kpt #: 291 total cpu time spent up to now is 594.8 secs Computing kpt #: 292 total cpu time spent up to now is 597.1 secs Computing kpt #: 293 total cpu time spent up to now is 599.0 secs Computing kpt #: 294 total cpu time spent up to now is 600.8 secs Computing kpt #: 295 total cpu time spent up to now is 602.7 secs Computing kpt #: 296 total cpu time spent up to now is 604.5 secs Computing kpt #: 297 total cpu time spent up to now is 606.4 secs Computing kpt #: 298 total cpu time spent up to now is 608.2 secs Computing kpt #: 299 total cpu time spent up to now is 610.1 secs Computing kpt #: 300 total cpu time spent up to now is 612.0 secs Computing kpt #: 301 total cpu time spent up to now is 614.2 secs Computing kpt #: 302 total cpu time spent up to now is 616.2 secs Computing kpt #: 303 total cpu time spent up to now is 618.0 secs Computing kpt #: 304 total cpu time spent up to now is 620.2 secs Computing kpt #: 305 total cpu time spent up to now is 622.1 secs Computing kpt #: 306 total cpu time spent up to now is 624.1 secs Computing kpt #: 307 total cpu time spent up to now is 625.9 secs Computing kpt #: 308 total cpu time spent up to now is 628.3 secs Computing kpt #: 309 total cpu time spent up to now is 630.2 secs Computing kpt #: 310 total cpu time spent up to now is 632.0 secs Computing kpt #: 311 total cpu time spent up to now is 633.9 secs Computing kpt #: 312 total cpu time spent up to now is 635.7 secs Computing kpt #: 313 total cpu time spent up to now is 638.1 secs Computing kpt #: 314 total cpu time spent up to now is 640.5 secs Computing kpt #: 315 total cpu time spent up to now is 642.9 secs Computing kpt #: 316 total cpu time spent up to now is 645.3 secs Computing kpt #: 317 total cpu time spent up to now is 647.8 secs Computing kpt #: 318 total cpu time spent up to now is 649.8 secs Computing kpt #: 319 total cpu time spent up to now is 652.3 secs Computing kpt #: 320 total cpu time spent up to now is 654.7 secs Computing kpt #: 321 total cpu time spent up to now is 656.7 secs Computing kpt #: 322 total cpu time spent up to now is 658.6 secs Computing kpt #: 323 total cpu time spent up to now is 660.4 secs Computing kpt #: 324 total cpu time spent up to now is 662.3 secs Computing kpt #: 325 total cpu time spent up to now is 664.2 secs Computing kpt #: 326 total cpu time spent up to now is 666.2 secs Computing kpt #: 327 total cpu time spent up to now is 668.2 secs Computing kpt #: 328 total cpu time spent up to now is 670.2 secs Computing kpt #: 329 total cpu time spent up to now is 672.0 secs Computing kpt #: 330 total cpu time spent up to now is 673.7 secs Computing kpt #: 331 total cpu time spent up to now is 675.5 secs Computing kpt #: 332 total cpu time spent up to now is 677.2 secs Computing kpt #: 333 total cpu time spent up to now is 679.0 secs Computing kpt #: 334 total cpu time spent up to now is 680.7 secs Computing kpt #: 335 total cpu time spent up to now is 682.5 secs Computing kpt #: 336 total cpu time spent up to now is 684.2 secs Computing kpt #: 337 total cpu time spent up to now is 685.9 secs Computing kpt #: 338 total cpu time spent up to now is 687.7 secs Computing kpt #: 339 total cpu time spent up to now is 689.4 secs Computing kpt #: 340 total cpu time spent up to now is 691.1 secs Computing kpt #: 341 total cpu time spent up to now is 692.8 secs Computing kpt #: 342 total cpu time spent up to now is 694.7 secs Computing kpt #: 343 total cpu time spent up to now is 696.4 secs Computing kpt #: 344 total cpu time spent up to now is 698.1 secs Computing kpt #: 345 total cpu time spent up to now is 699.9 secs Computing kpt #: 346 total cpu time spent up to now is 701.9 secs Computing kpt #: 347 total cpu time spent up to now is 703.7 secs Computing kpt #: 348 total cpu time spent up to now is 705.8 secs Computing kpt #: 349 total cpu time spent up to now is 707.6 secs Computing kpt #: 350 total cpu time spent up to now is 710.4 secs Computing kpt #: 351 total cpu time spent up to now is 712.7 secs Computing kpt #: 352 total cpu time spent up to now is 715.5 secs Computing kpt #: 353 total cpu time spent up to now is 717.5 secs Computing kpt #: 354 total cpu time spent up to now is 719.4 secs Computing kpt #: 355 total cpu time spent up to now is 721.3 secs Computing kpt #: 356 total cpu time spent up to now is 723.2 secs Computing kpt #: 357 total cpu time spent up to now is 725.1 secs Computing kpt #: 358 total cpu time spent up to now is 727.0 secs Computing kpt #: 359 total cpu time spent up to now is 729.1 secs Computing kpt #: 360 total cpu time spent up to now is 731.0 secs Computing kpt #: 361 total cpu time spent up to now is 733.0 secs Computing kpt #: 362 total cpu time spent up to now is 734.9 secs Computing kpt #: 363 total cpu time spent up to now is 736.7 secs Computing kpt #: 364 total cpu time spent up to now is 738.6 secs Computing kpt #: 365 total cpu time spent up to now is 740.5 secs Computing kpt #: 366 total cpu time spent up to now is 742.5 secs Computing kpt #: 367 total cpu time spent up to now is 744.3 secs Computing kpt #: 368 total cpu time spent up to now is 746.2 secs ethr = 2.50E-11, avg # of iterations = 30.3 total cpu time spent up to now is 746.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7277 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2257 -4.2257 -2.2768 -2.2768 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9405 1.9405 3.0270 3.0270 4.9252 4.9252 5.9143 5.9143 6.5060 6.5060 k = 0.0090 0.0091-0.0000 ( 7277 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3662 -11.3662 -9.9606 -9.9606 -4.2292 -4.2292 -2.2821 -2.2821 -1.8959 -1.8959 -1.2400 -1.2400 -1.0284 -1.0284 0.0055 0.0055 0.2043 0.2043 1.9389 1.9389 3.0289 3.0289 4.9263 4.9263 5.9172 5.9172 6.5006 6.5006 k = 0.0179 0.0182-0.0000 ( 7277 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6911 -18.6911 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3633 -11.3633 -9.9599 -9.9599 -4.2396 -4.2396 -2.2982 -2.2982 -1.8987 -1.8987 -1.2243 -1.2243 -1.0326 -1.0326 0.0290 0.0290 0.2034 0.2034 1.9343 1.9343 3.0345 3.0345 4.9296 4.9296 5.9257 5.9257 6.4842 6.4842 k = 0.0269 0.0273-0.0000 ( 7261 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6911 -18.6911 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3586 -11.3586 -9.9586 -9.9586 -4.2564 -4.2564 -2.3253 -2.3253 -1.9016 -1.9016 -1.2001 -1.2001 -1.0382 -1.0382 0.0633 0.0633 0.2053 0.2053 1.9266 1.9266 3.0437 3.0437 4.9350 4.9350 5.9398 5.9398 6.4567 6.4567 k = 0.0359 0.0364-0.0000 ( 7273 PWs) bands (ev): -19.7199 -19.7199 -19.7179 -19.7179 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6910 -18.6910 -18.6667 -18.6667 -18.6586 -18.6586 -18.6505 -18.6505 -18.6442 -18.6442 -11.3519 -11.3519 -9.9569 -9.9569 -4.2793 -4.2793 -2.3633 -2.3633 -1.9032 -1.9032 -1.1722 -1.1722 -1.0407 -1.0407 0.0963 0.0963 0.2203 0.2203 1.9160 1.9160 3.0567 3.0567 4.9425 4.9425 5.9591 5.9591 6.4171 6.4171 k = 0.0448 0.0455-0.0000 ( 7267 PWs) bands (ev): -19.7199 -19.7199 -19.7179 -19.7179 -19.6884 -19.6884 -19.6867 -19.6867 -18.6915 -18.6915 -18.6910 -18.6910 -18.6666 -18.6666 -18.6586 -18.6586 -18.6504 -18.6504 -18.6442 -18.6442 -11.3434 -11.3434 -9.9546 -9.9546 -4.3075 -4.3075 -2.4117 -2.4117 -1.9021 -1.9021 -1.1523 -1.1523 -1.0290 -1.0290 0.1105 0.1105 0.2640 0.2640 1.9025 1.9025 3.0735 3.0735 4.9520 4.9520 5.9835 5.9835 6.3628 6.3628 k = 0.0538 0.0546-0.0000 ( 7273 PWs) bands (ev): -19.7198 -19.7198 -19.7179 -19.7179 -19.6884 -19.6884 -19.6867 -19.6867 -18.6915 -18.6915 -18.6909 -18.6909 -18.6665 -18.6665 -18.6586 -18.6586 -18.6504 -18.6504 -18.6442 -18.6442 -11.3329 -11.3329 -9.9520 -9.9520 -4.3403 -4.3403 -2.4692 -2.4692 -1.8976 -1.8976 -1.1528 -1.1528 -0.9914 -0.9914 0.1055 0.1055 0.3346 0.3346 1.8864 1.8864 3.0939 3.0939 4.9633 4.9633 6.0125 6.0125 6.2899 6.2899 k = 0.0628 0.0636-0.0000 ( 7261 PWs) bands (ev): -19.7198 -19.7198 -19.7178 -19.7178 -19.6883 -19.6883 -19.6866 -19.6866 -18.6914 -18.6914 -18.6908 -18.6908 -18.6664 -18.6664 -18.6586 -18.6586 -18.6504 -18.6504 -18.6443 -18.6443 -11.3207 -11.3207 -9.9489 -9.9489 -4.3769 -4.3769 -2.5343 -2.5343 -1.8895 -1.8895 -1.1698 -1.1698 -0.9325 -0.9325 0.0903 0.0903 0.4210 0.4210 1.8677 1.8677 3.1181 3.1181 4.9762 4.9762 6.0451 6.0451 6.1958 6.1958 k = 0.0718 0.0727-0.0000 ( 7253 PWs) bands (ev): -19.7197 -19.7197 -19.7178 -19.7178 -19.6883 -19.6883 -19.6866 -19.6866 -18.6913 -18.6913 -18.6907 -18.6907 -18.6663 -18.6663 -18.6586 -18.6586 -18.6503 -18.6503 -18.6443 -18.6443 -11.3065 -11.3065 -9.9453 -9.9453 -4.4164 -4.4164 -2.6054 -2.6054 -1.8779 -1.8779 -1.1960 -1.1960 -0.8605 -0.8605 0.0693 0.0693 0.5170 0.5170 1.8468 1.8468 3.1461 3.1461 4.9904 4.9904 6.0641 6.0641 6.0990 6.0990 k = 0.0807 0.0818-0.0000 ( 7249 PWs) bands (ev): -19.7197 -19.7197 -19.7178 -19.7178 -19.6882 -19.6882 -19.6865 -19.6865 -18.6913 -18.6913 -18.6906 -18.6906 -18.6661 -18.6661 -18.6586 -18.6586 -18.6503 -18.6503 -18.6444 -18.6444 -11.2905 -11.2905 -9.9415 -9.9415 -4.4581 -4.4581 -2.6809 -2.6809 -1.8629 -1.8629 -1.2279 -1.2279 -0.7795 -0.7795 0.0441 0.0441 0.6190 0.6190 1.8238 1.8238 3.1777 3.1777 5.0051 5.0051 5.9480 5.9480 6.1262 6.1262 k = 0.0897 0.0909-0.0000 ( 7258 PWs) bands (ev): -19.7196 -19.7196 -19.7177 -19.7177 -19.6882 -19.6882 -19.6864 -19.6864 -18.6912 -18.6912 -18.6905 -18.6905 -18.6660 -18.6660 -18.6586 -18.6586 -18.6502 -18.6502 -18.6444 -18.6444 -11.2727 -11.2727 -9.9373 -9.9373 -4.5012 -4.5012 -2.7595 -2.7595 -1.8449 -1.8449 -1.2641 -1.2641 -0.6917 -0.6917 0.0156 0.0156 0.7247 0.7247 1.7991 1.7991 3.2131 3.2131 5.0194 5.0194 5.8125 5.8125 6.1678 6.1678 k = 0.0987 0.1000-0.0000 ( 7264 PWs) bands (ev): -19.7196 -19.7196 -19.7177 -19.7177 -19.6881 -19.6881 -19.6864 -19.6864 -18.6911 -18.6911 -18.6903 -18.6903 -18.6658 -18.6658 -18.6586 -18.6586 -18.6502 -18.6502 -18.6445 -18.6445 -11.2531 -11.2531 -9.9327 -9.9327 -4.5450 -4.5450 -2.8401 -2.8401 -1.8239 -1.8239 -1.3038 -1.3038 -0.5987 -0.5987 -0.0158 -0.0158 0.8318 0.8318 1.7730 1.7730 3.2521 3.2521 5.0311 5.0311 5.6761 5.6761 6.2108 6.2108 k = 0.1076 0.1091-0.0000 ( 7268 PWs) bands (ev): -19.7195 -19.7195 -19.7176 -19.7176 -19.6880 -19.6880 -19.6863 -19.6863 -18.6910 -18.6910 -18.6902 -18.6902 -18.6656 -18.6656 -18.6586 -18.6586 -18.6501 -18.6501 -18.6445 -18.6445 -11.2318 -11.2318 -9.9280 -9.9280 -4.5888 -4.5888 -2.9218 -2.9218 -1.8004 -1.8004 -1.3465 -1.3465 -0.5017 -0.5017 -0.0498 -0.0498 0.9383 0.9383 1.7459 1.7459 3.2947 3.2947 5.0361 5.0361 5.5471 5.5471 6.2523 6.2523 k = 0.1166 0.1182-0.0000 ( 7272 PWs) bands (ev): -19.7195 -19.7195 -19.7176 -19.7176 -19.6879 -19.6879 -19.6862 -19.6862 -18.6909 -18.6909 -18.6900 -18.6900 -18.6654 -18.6654 -18.6586 -18.6586 -18.6501 -18.6501 -18.6446 -18.6446 -11.2087 -11.2087 -9.9230 -9.9230 -4.6322 -4.6322 -3.0039 -3.0039 -1.7743 -1.7743 -1.3916 -1.3916 -0.4019 -0.4019 -0.0861 -0.0861 1.0421 1.0421 1.7183 1.7183 3.3407 3.3407 5.0257 5.0257 5.4374 5.4374 6.2821 6.2821 k = 0.1256 0.1273-0.0000 ( 7272 PWs) bands (ev): -19.7194 -19.7194 -19.7175 -19.7175 -19.6878 -19.6878 -19.6861 -19.6861 -18.6909 -18.6909 -18.6899 -18.6899 -18.6652 -18.6652 -18.6586 -18.6586 -18.6500 -18.6500 -18.6446 -18.6446 -11.1839 -11.1839 -9.9179 -9.9179 -4.6744 -4.6744 -3.0857 -3.0857 -1.7461 -1.7461 -1.4389 -1.4389 -0.3007 -0.3007 -0.1244 -0.1244 1.1409 1.1409 1.6907 1.6907 3.3901 3.3901 4.9873 4.9873 5.3627 5.3627 6.2653 6.2653 k = 0.1345 0.1364-0.0000 ( 7276 PWs) bands (ev): -19.7193 -19.7193 -19.7174 -19.7174 -19.6877 -19.6877 -19.6860 -19.6860 -18.6908 -18.6908 -18.6898 -18.6898 -18.6650 -18.6650 -18.6586 -18.6586 -18.6500 -18.6500 -18.6447 -18.6447 -11.1574 -11.1574 -9.9126 -9.9126 -4.7151 -4.7151 -3.1667 -3.1667 -1.7160 -1.7160 -1.4876 -1.4876 -0.2008 -0.2008 -0.1627 -0.1627 1.2321 1.2321 1.6636 1.6636 3.4426 3.4426 4.9167 4.9167 5.3301 5.3301 6.2058 6.2058 k = 0.1435 0.1455-0.0000 ( 7268 PWs) bands (ev): -19.7193 -19.7193 -19.7174 -19.7174 -19.6876 -19.6876 -19.6859 -19.6859 -18.6907 -18.6907 -18.6896 -18.6896 -18.6647 -18.6647 -18.6586 -18.6586 -18.6500 -18.6500 -18.6447 -18.6447 -11.1293 -11.1293 -9.9073 -9.9073 -4.7539 -4.7539 -3.2465 -3.2465 -1.6848 -1.6848 -1.5368 -1.5368 -0.2082 -0.2082 -0.0963 -0.0963 1.3127 1.3127 1.6377 1.6377 3.4979 3.4979 4.8282 4.8282 5.3282 5.3282 6.0458 6.0458 k = 0.1525 0.1546-0.0000 ( 7270 PWs) bands (ev): -19.7192 -19.7192 -19.7173 -19.7173 -19.6875 -19.6875 -19.6858 -19.6858 -18.6907 -18.6907 -18.6895 -18.6895 -18.6645 -18.6645 -18.6586 -18.6586 -18.6499 -18.6499 -18.6447 -18.6447 -11.0996 -11.0996 -9.9020 -9.9020 -4.7902 -4.7902 -3.3249 -3.3249 -1.6573 -1.6573 -1.5817 -1.5817 -0.2513 -0.2513 0.0021 0.0021 1.3797 1.3797 1.6139 1.6139 3.5555 3.5555 4.7387 4.7387 5.3427 5.3427 5.8676 5.8676 k = 0.1615 0.1637-0.0000 ( 7270 PWs) bands (ev): -19.7192 -19.7192 -19.7173 -19.7173 -19.6874 -19.6874 -19.6857 -19.6857 -18.6906 -18.6906 -18.6893 -18.6893 -18.6642 -18.6642 -18.6586 -18.6586 -18.6499 -18.6499 -18.6447 -18.6447 -11.0684 -11.0684 -9.8967 -9.8967 -4.8239 -4.8239 -3.4013 -3.4013 -1.6641 -1.6641 -1.5914 -1.5914 -0.2960 -0.2960 0.0970 0.0970 1.4299 1.4299 1.5929 1.5929 3.6149 3.6149 4.6594 4.6594 5.3637 5.3637 5.6891 5.6891 k = 0.1704 0.1727-0.0000 ( 7264 PWs) bands (ev): -19.7191 -19.7191 -19.7172 -19.7172 -19.6873 -19.6873 -19.6856 -19.6856 -18.6906 -18.6906 -18.6892 -18.6892 -18.6640 -18.6640 -18.6586 -18.6586 -18.6498 -18.6498 -18.6447 -18.6447 -11.0356 -11.0356 -9.8916 -9.8916 -4.8547 -4.8547 -3.4757 -3.4757 -1.7101 -1.7101 -1.5609 -1.5609 -0.3418 -0.3418 0.1865 0.1865 1.4607 1.4607 1.5753 1.5753 3.6750 3.6750 4.5969 4.5969 5.3743 5.3743 5.5292 5.5292 k = 0.1794 0.1818-0.0000 ( 7286 PWs) bands (ev): -19.7191 -19.7191 -19.7171 -19.7171 -19.6872 -19.6872 -19.6855 -19.6855 -18.6906 -18.6906 -18.6891 -18.6891 -18.6638 -18.6638 -18.6586 -18.6586 -18.6498 -18.6498 -18.6447 -18.6447 -11.0015 -11.0015 -9.8865 -9.8865 -4.8821 -4.8821 -3.5479 -3.5479 -1.7632 -1.7632 -1.5222 -1.5222 -0.3886 -0.3886 0.2686 0.2686 1.4705 1.4705 1.5609 1.5609 3.7345 3.7345 4.5551 4.5551 5.2932 5.2932 5.4718 5.4718 k = 0.1884 0.1909-0.0000 ( 7282 PWs) bands (ev): -19.7191 -19.7191 -19.7171 -19.7171 -19.6870 -19.6870 -19.6854 -19.6854 -18.6906 -18.6906 -18.6890 -18.6890 -18.6635 -18.6635 -18.6586 -18.6586 -18.6497 -18.6497 -18.6446 -18.6446 -10.9660 -10.9660 -9.8817 -9.8817 -4.9061 -4.9061 -3.6175 -3.6175 -1.8180 -1.8180 -1.4806 -1.4806 -0.4360 -0.4360 0.3414 0.3414 1.4579 1.4579 1.5506 1.5506 3.7908 3.7908 4.5356 4.5356 5.1462 5.1462 5.4948 5.4948 k = 0.1973 0.2000-0.0000 ( 7280 PWs) bands (ev): -19.7190 -19.7190 -19.7170 -19.7170 -19.6869 -19.6869 -19.6853 -19.6853 -18.6906 -18.6906 -18.6889 -18.6889 -18.6633 -18.6633 -18.6585 -18.6585 -18.6497 -18.6497 -18.6446 -18.6446 -10.9292 -10.9292 -9.8771 -9.8771 -4.9263 -4.9263 -3.6844 -3.6844 -1.8734 -1.8734 -1.4371 -1.4371 -0.4840 -0.4840 0.4032 0.4032 1.4209 1.4209 1.5469 1.5469 3.8399 3.8399 4.5378 4.5378 5.0075 5.0075 5.5305 5.5305 k = 0.2063 0.2091-0.0000 ( 7272 PWs) bands (ev): -19.7190 -19.7190 -19.7170 -19.7170 -19.6868 -19.6868 -19.6852 -19.6852 -18.6906 -18.6906 -18.6888 -18.6888 -18.6630 -18.6630 -18.6585 -18.6585 -18.6496 -18.6496 -18.6445 -18.6445 -10.8912 -10.8912 -9.8728 -9.8728 -4.9426 -4.9426 -3.7486 -3.7486 -1.9291 -1.9291 -1.3921 -1.3921 -0.5324 -0.5324 0.4525 0.4525 1.3596 1.3596 1.5504 1.5504 3.8751 3.8751 4.5586 4.5586 4.8958 4.8958 5.5702 5.5702 k = 0.2153 0.2182-0.0000 ( 7274 PWs) bands (ev): -19.7190 -19.7190 -19.7169 -19.7169 -19.6867 -19.6867 -19.6851 -19.6851 -18.6907 -18.6907 -18.6888 -18.6888 -18.6628 -18.6628 -18.6585 -18.6585 -18.6495 -18.6495 -18.6445 -18.6445 -10.8520 -10.8520 -9.8688 -9.8688 -4.9549 -4.9549 -3.8098 -3.8098 -1.9848 -1.9848 -1.3458 -1.3458 -0.5809 -0.5809 0.4887 0.4887 1.2770 1.2770 1.5594 1.5594 3.8874 3.8874 4.5930 4.5930 4.8260 4.8260 5.6121 5.6121 k = 0.2242 0.2273-0.0000 ( 7280 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6866 -19.6866 -19.6850 -19.6850 -18.6907 -18.6907 -18.6888 -18.6888 -18.6626 -18.6626 -18.6585 -18.6585 -18.6494 -18.6494 -18.6444 -18.6444 -10.8118 -10.8118 -9.8652 -9.8652 -4.9631 -4.9631 -3.8680 -3.8680 -2.0402 -2.0402 -1.2986 -1.2986 -0.6294 -0.6294 0.5119 0.5119 1.1766 1.1766 1.5709 1.5709 3.8700 3.8700 4.6360 4.6360 4.8092 4.8092 5.6556 5.6556 k = 0.2332 0.2364-0.0000 ( 7272 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6865 -19.6865 -19.6849 -19.6849 -18.6908 -18.6908 -18.6887 -18.6887 -18.6624 -18.6624 -18.6584 -18.6584 -18.6493 -18.6493 -18.6443 -18.6443 -10.7707 -10.7707 -9.8619 -9.8619 -4.9669 -4.9669 -3.9229 -3.9229 -2.0951 -2.0951 -1.2508 -1.2508 -0.6777 -0.6777 0.5230 0.5230 1.0617 1.0617 1.5811 1.5811 3.8255 3.8255 4.6890 4.6890 4.8402 4.8402 5.7011 5.7011 k = 0.2422 0.2455-0.0000 ( 7268 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6864 -19.6864 -19.6848 -19.6848 -18.6909 -18.6909 -18.6887 -18.6887 -18.6622 -18.6622 -18.6584 -18.6584 -18.6492 -18.6492 -18.6442 -18.6442 -10.7286 -10.7286 -9.8591 -9.8591 -4.9663 -4.9663 -3.9746 -3.9746 -2.1494 -2.1494 -1.2027 -1.2027 -0.7257 -0.7257 0.5233 0.5233 0.9356 0.9356 1.5855 1.5855 3.7657 3.7657 4.7574 4.7574 4.9005 4.9005 5.7489 5.7489 k = 0.2512 0.2546-0.0000 ( 7268 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6864 -19.6864 -19.6847 -19.6847 -18.6910 -18.6910 -18.6888 -18.6888 -18.6621 -18.6621 -18.6583 -18.6583 -18.6491 -18.6491 -18.6441 -18.6441 -10.6859 -10.6859 -9.8567 -9.8567 -4.9612 -4.9612 -4.0229 -4.0229 -2.2029 -2.2029 -1.1549 -1.1549 -0.7732 -0.7732 0.5144 0.5144 0.8014 0.8014 1.5791 1.5791 3.7049 3.7049 4.8411 4.8411 4.9743 4.9743 5.8000 5.8000 k = 0.2601 0.2637-0.0000 ( 7272 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6863 -19.6863 -19.6846 -19.6846 -18.6911 -18.6911 -18.6888 -18.6888 -18.6620 -18.6620 -18.6582 -18.6582 -18.6489 -18.6489 -18.6440 -18.6440 -10.6425 -10.6425 -9.8547 -9.8547 -4.9517 -4.9517 -4.0677 -4.0677 -2.2555 -2.2555 -1.1082 -1.1082 -0.8201 -0.8201 0.4977 0.4977 0.6620 0.6620 1.5577 1.5577 3.6543 3.6543 4.9357 4.9357 5.0528 5.0528 5.8557 5.8557 k = 0.2691 0.2728-0.0000 ( 7278 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6862 -19.6862 -19.6844 -19.6844 -18.6913 -18.6913 -18.6889 -18.6889 -18.6619 -18.6619 -18.6581 -18.6581 -18.6488 -18.6488 -18.6438 -18.6438 -10.5986 -10.5986 -9.8532 -9.8532 -4.9376 -4.9376 -4.1089 -4.1089 -2.3071 -2.3071 -1.0635 -1.0635 -0.8659 -0.8659 0.4722 0.4722 0.5226 0.5226 1.5182 1.5182 3.6209 3.6209 5.0346 5.0346 5.1326 5.1326 5.9174 5.9174 k = 0.2781 0.2818-0.0000 ( 7280 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6861 -19.6861 -19.6843 -19.6843 -18.6914 -18.6914 -18.6890 -18.6890 -18.6618 -18.6618 -18.6580 -18.6580 -18.6486 -18.6486 -18.6437 -18.6437 -10.5543 -10.5543 -9.8521 -9.8521 -4.9189 -4.9189 -4.1464 -4.1464 -2.3575 -2.3575 -1.0230 -1.0230 -0.9100 -0.9100 0.3732 0.3732 0.4515 0.4515 1.4593 1.4593 3.6084 3.6084 5.1263 5.1263 5.2181 5.2181 5.9856 5.9856 k = 0.2870 0.2909-0.0000 ( 7278 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6861 -19.6861 -19.6842 -19.6842 -18.6916 -18.6916 -18.6891 -18.6891 -18.6617 -18.6617 -18.6578 -18.6578 -18.6484 -18.6484 -18.6436 -18.6436 -10.5098 -10.5098 -9.8514 -9.8514 -4.8958 -4.8958 -4.1802 -4.1802 -2.4066 -2.4066 -0.9937 -0.9937 -0.9473 -0.9473 0.2358 0.2358 0.4176 0.4176 1.3822 1.3822 3.6173 3.6173 5.1963 5.1963 5.3186 5.3186 6.0592 6.0592 k = 0.2960 0.3000-0.0000 ( 7270 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6841 -19.6841 -18.6918 -18.6918 -18.6892 -18.6892 -18.6617 -18.6617 -18.6576 -18.6576 -18.6483 -18.6483 -18.6434 -18.6434 -10.4651 -10.4651 -9.8512 -9.8512 -4.8681 -4.8681 -4.2101 -4.2101 -2.4544 -2.4544 -1.0091 -1.0091 -0.9472 -0.9472 0.1047 0.1047 0.3804 0.3804 1.2894 1.2894 3.6461 3.6461 5.2444 5.2444 5.4318 5.4318 6.1340 6.1340 k = 0.3050 0.3091-0.0000 ( 7268 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6840 -19.6840 -18.6920 -18.6920 -18.6894 -18.6894 -18.6616 -18.6616 -18.6575 -18.6575 -18.6481 -18.6481 -18.6433 -18.6433 -10.4206 -10.4206 -9.8514 -9.8514 -4.8359 -4.8359 -4.2361 -4.2361 -2.5007 -2.5007 -1.0483 -1.0483 -0.9357 -0.9357 -0.0135 -0.0135 0.3388 0.3388 1.1847 1.1847 3.6922 3.6922 5.2765 5.2765 5.5503 5.5503 6.2001 6.2001 k = 0.3139 0.3182-0.0000 ( 7260 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6839 -19.6839 -18.6922 -18.6922 -18.6895 -18.6895 -18.6616 -18.6616 -18.6573 -18.6573 -18.6479 -18.6479 -18.6431 -18.6431 -10.3763 -10.3763 -9.8520 -9.8520 -4.7994 -4.7994 -4.2581 -4.2581 -2.5455 -2.5455 -1.0890 -1.0890 -0.9413 -0.9413 -0.1114 -0.1114 0.2921 0.2921 1.0727 1.0727 3.7527 3.7527 5.2968 5.2968 5.6698 5.6698 6.2463 6.2463 k = 0.3229 0.3273-0.0000 ( 7260 PWs) bands (ev): -19.7192 -19.7192 -19.7167 -19.7167 -19.6859 -19.6859 -19.6838 -19.6838 -18.6924 -18.6924 -18.6897 -18.6897 -18.6616 -18.6616 -18.6571 -18.6571 -18.6477 -18.6477 -18.6430 -18.6430 -10.3323 -10.3323 -9.8529 -9.8529 -4.7587 -4.7587 -4.2760 -4.2760 -2.5886 -2.5886 -1.1295 -1.1295 -0.9729 -0.9729 -0.1816 -0.1816 0.2389 0.2389 0.9579 0.9579 3.8248 3.8248 5.3081 5.3081 5.7872 5.7872 6.2767 6.2767 k = 0.3319 0.3364-0.0000 ( 7266 PWs) bands (ev): -19.7192 -19.7192 -19.7167 -19.7167 -19.6859 -19.6859 -19.6837 -19.6837 -18.6926 -18.6926 -18.6899 -18.6899 -18.6616 -18.6616 -18.6569 -18.6569 -18.6475 -18.6475 -18.6428 -18.6428 -10.2889 -10.2889 -9.8541 -9.8541 -4.7138 -4.7138 -4.2899 -4.2899 -2.6301 -2.6301 -1.1700 -1.1700 -1.0330 -1.0330 -0.2207 -0.2207 0.1775 0.1775 0.8451 0.8451 3.9059 3.9059 5.3126 5.3126 5.8993 5.8993 6.3012 6.3012 k = 0.3409 0.3455-0.0000 ( 7260 PWs) bands (ev): -19.7192 -19.7192 -19.7168 -19.7168 -19.6859 -19.6859 -19.6836 -19.6836 -18.6929 -18.6929 -18.6901 -18.6901 -18.6617 -18.6617 -18.6567 -18.6567 -18.6473 -18.6473 -18.6427 -18.6427 -10.2463 -10.2463 -9.8557 -9.8557 -4.6649 -4.6649 -4.2995 -4.2995 -2.6697 -2.6697 -1.2131 -1.2131 -1.1158 -1.1158 -0.2321 -0.2321 0.1059 0.1059 0.7392 0.7392 3.9942 3.9942 5.3121 5.3121 6.0021 6.0021 6.3226 6.3226 k = 0.3498 0.3546-0.0000 ( 7248 PWs) bands (ev): -19.7193 -19.7193 -19.7168 -19.7168 -19.6858 -19.6858 -19.6835 -19.6835 -18.6931 -18.6931 -18.6903 -18.6903 -18.6617 -18.6617 -18.6565 -18.6565 -18.6471 -18.6471 -18.6425 -18.6425 -10.2046 -10.2046 -9.8574 -9.8574 -4.6123 -4.6123 -4.3050 -4.3050 -2.7075 -2.7075 -1.2733 -1.2733 -1.1992 -1.1992 -0.2238 -0.2238 0.0231 0.0231 0.6438 0.6438 4.0879 4.0879 5.3079 5.3079 6.0902 6.0902 6.3286 6.3286 k = 0.3588 0.3637-0.0000 ( 7260 PWs) bands (ev): -19.7193 -19.7193 -19.7168 -19.7168 -19.6858 -19.6858 -19.6835 -19.6835 -18.6933 -18.6933 -18.6906 -18.6906 -18.6617 -18.6617 -18.6563 -18.6563 -18.6470 -18.6470 -18.6424 -18.6424 -10.1639 -10.1639 -9.8594 -9.8594 -4.5560 -4.5560 -4.3063 -4.3063 -2.7434 -2.7434 -1.3737 -1.3737 -1.2527 -1.2527 -0.2073 -0.2073 -0.0672 -0.0672 0.5615 0.5615 4.1856 4.1856 5.3013 5.3013 6.1566 6.1566 6.3153 6.3153 k = 0.3678 0.3728-0.0000 ( 7260 PWs) bands (ev): -19.7194 -19.7194 -19.7169 -19.7169 -19.6858 -19.6858 -19.6834 -19.6834 -18.6936 -18.6936 -18.6908 -18.6908 -18.6617 -18.6617 -18.6561 -18.6561 -18.6468 -18.6468 -18.6422 -18.6422 -10.1246 -10.1246 -9.8615 -9.8615 -4.4965 -4.4965 -4.3034 -4.3034 -2.7774 -2.7774 -1.4948 -1.4948 -1.2900 -1.2900 -0.2252 -0.2252 -0.1266 -0.1266 0.4922 0.4922 4.2862 4.2862 5.2933 5.2933 6.1955 6.1955 6.3036 6.3036 k = 0.3767 0.3819-0.0000 ( 7248 PWs) bands (ev): -19.7194 -19.7194 -19.7169 -19.7169 -19.6858 -19.6858 -19.6833 -19.6833 -18.6938 -18.6938 -18.6910 -18.6910 -18.6617 -18.6617 -18.6559 -18.6559 -18.6466 -18.6466 -18.6421 -18.6421 -10.0868 -10.0868 -9.8637 -9.8637 -4.4341 -4.4341 -4.2964 -4.2964 -2.8093 -2.8093 -1.6220 -1.6220 -1.3222 -1.3222 -0.3244 -0.3244 -0.1090 -0.1090 0.4347 0.4347 4.3888 4.3888 5.2844 5.2844 6.2057 6.2057 6.3037 6.3037 k = 0.3857 0.3909-0.0000 ( 7244 PWs) bands (ev): -19.7194 -19.7194 -19.7170 -19.7170 -19.6858 -19.6858 -19.6832 -19.6832 -18.6940 -18.6940 -18.6913 -18.6913 -18.6618 -18.6618 -18.6557 -18.6557 -18.6465 -18.6465 -18.6419 -18.6419 -10.0506 -10.0506 -9.8660 -9.8660 -4.3690 -4.3690 -4.2853 -4.2853 -2.8392 -2.8392 -1.7505 -1.7505 -1.3513 -1.3513 -0.4457 -0.4457 -0.0728 -0.0728 0.3867 0.3867 4.4924 4.4924 5.2755 5.2755 6.1964 6.1964 6.3132 6.3132 k = 0.3947 0.4000-0.0000 ( 7234 PWs) bands (ev): -19.7195 -19.7195 -19.7171 -19.7171 -19.6858 -19.6858 -19.6832 -19.6832 -18.6942 -18.6942 -18.6915 -18.6915 -18.6618 -18.6618 -18.6555 -18.6555 -18.6463 -18.6463 -18.6418 -18.6418 -10.0164 -10.0164 -9.8683 -9.8683 -4.3020 -4.3020 -4.2700 -4.2700 -2.8670 -2.8670 -1.8779 -1.8779 -1.3781 -1.3781 -0.5727 -0.5727 -0.0331 -0.0331 0.3463 0.3463 4.5961 4.5961 5.2670 5.2670 6.1797 6.1797 6.3249 6.3249 k = 0.4036 0.4091-0.0000 ( 7242 PWs) bands (ev): -19.7195 -19.7195 -19.7171 -19.7171 -19.6858 -19.6858 -19.6831 -19.6831 -18.6944 -18.6944 -18.6917 -18.6917 -18.6618 -18.6618 -18.6554 -18.6554 -18.6462 -18.6462 -18.6417 -18.6417 -9.9841 -9.9841 -9.8706 -9.8706 -4.2524 -4.2524 -4.2322 -4.2322 -2.8927 -2.8927 -2.0024 -2.0024 -1.4026 -1.4026 -0.7011 -0.7011 0.0071 0.0071 0.3120 0.3120 4.6991 4.6991 5.2595 5.2595 6.1611 6.1611 6.3355 6.3355 k = 0.4126 0.4182-0.0000 ( 7238 PWs) bands (ev): -19.7195 -19.7195 -19.7172 -19.7172 -19.6858 -19.6858 -19.6831 -19.6831 -18.6946 -18.6946 -18.6919 -18.6919 -18.6618 -18.6618 -18.6552 -18.6552 -18.6461 -18.6461 -18.6415 -18.6415 -9.9541 -9.9541 -9.8728 -9.8728 -4.2298 -4.2298 -4.1629 -4.1629 -2.9162 -2.9162 -2.1230 -2.1230 -1.4250 -1.4250 -0.8281 -0.8281 0.0465 0.0465 0.2827 0.2827 4.8002 4.8002 5.2534 5.2534 6.1426 6.1426 6.3444 6.3444 k = 0.4216 0.4273-0.0000 ( 7238 PWs) bands (ev): -19.7196 -19.7196 -19.7172 -19.7172 -19.6858 -19.6858 -19.6830 -19.6830 -18.6948 -18.6948 -18.6922 -18.6922 -18.6618 -18.6618 -18.6551 -18.6551 -18.6459 -18.6459 -18.6414 -18.6414 -9.9265 -9.9265 -9.8750 -9.8750 -4.2045 -4.2045 -4.0932 -4.0932 -2.9375 -2.9375 -2.2385 -2.2385 -1.4453 -1.4453 -0.9516 -0.9516 0.0840 0.0840 0.2575 0.2575 4.8981 4.8981 5.2495 5.2495 6.1251 6.1251 6.3510 6.3510 k = 0.4306 0.4364-0.0000 ( 7248 PWs) bands (ev): -19.7196 -19.7196 -19.7173 -19.7173 -19.6858 -19.6858 -19.6830 -19.6830 -18.6950 -18.6950 -18.6923 -18.6923 -18.6618 -18.6618 -18.6549 -18.6549 -18.6458 -18.6458 -18.6413 -18.6413 -9.9014 -9.9014 -9.8769 -9.8769 -4.1768 -4.1768 -4.0242 -4.0242 -2.9565 -2.9565 -2.3477 -2.3477 -1.4635 -1.4635 -1.0698 -1.0698 0.1189 0.1189 0.2360 0.2360 4.9903 4.9903 5.2490 5.2490 6.1091 6.1091 6.3548 6.3548 k = 0.4395 0.4455-0.0000 ( 7248 PWs) bands (ev): -19.7196 -19.7196 -19.7173 -19.7173 -19.6858 -19.6858 -19.6829 -19.6829 -18.6951 -18.6951 -18.6925 -18.6925 -18.6618 -18.6618 -18.6548 -18.6548 -18.6457 -18.6457 -18.6412 -18.6412 -9.8804 -9.8804 -9.8774 -9.8774 -4.1474 -4.1474 -3.9574 -3.9574 -2.9734 -2.9734 -2.4497 -2.4497 -1.4795 -1.4795 -1.1809 -1.1809 0.1505 0.1505 0.2180 0.2180 5.0725 5.0725 5.2552 5.2552 6.0947 6.0947 6.3549 6.3549 k = 0.4485 0.4546-0.0000 ( 7248 PWs) bands (ev): -19.7196 -19.7196 -19.7174 -19.7174 -19.6858 -19.6858 -19.6829 -19.6829 -18.6952 -18.6952 -18.6927 -18.6927 -18.6619 -18.6619 -18.6547 -18.6547 -18.6457 -18.6457 -18.6411 -18.6411 -9.8806 -9.8806 -9.8592 -9.8592 -4.1172 -4.1172 -3.8941 -3.8941 -2.9879 -2.9879 -2.5430 -2.5430 -1.4935 -1.4935 -1.2828 -1.2828 0.1766 0.1766 0.2049 0.2049 5.1355 5.1355 5.2758 5.2758 6.0821 6.0821 6.3501 6.3501 k = 0.4575 0.4637-0.0000 ( 7248 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6829 -19.6829 -18.6953 -18.6953 -18.6928 -18.6928 -18.6619 -18.6619 -18.6546 -18.6546 -18.6456 -18.6456 -18.6411 -18.6411 -9.8820 -9.8820 -9.8426 -9.8426 -4.0874 -4.0874 -3.8360 -3.8360 -3.0002 -3.0002 -2.6261 -2.6261 -1.5055 -1.5055 -1.3735 -1.3735 0.1836 0.1836 0.2097 0.2097 5.1703 5.1703 5.3178 5.3178 6.0715 6.0715 6.3402 6.3402 k = 0.4664 0.4728-0.0000 ( 7252 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6828 -19.6828 -18.6954 -18.6954 -18.6929 -18.6929 -18.6619 -18.6619 -18.6546 -18.6546 -18.6455 -18.6455 -18.6410 -18.6410 -9.8831 -9.8831 -9.8290 -9.8290 -4.0597 -4.0597 -3.7851 -3.7851 -3.0102 -3.0102 -2.6974 -2.6974 -1.5160 -1.5160 -1.4503 -1.4503 0.1757 0.1757 0.2277 0.2277 5.1846 5.1846 5.3709 5.3709 6.0628 6.0628 6.3270 6.3270 k = 0.4754 0.4819-0.0000 ( 7248 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6828 -19.6828 -18.6955 -18.6955 -18.6930 -18.6930 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6410 -18.6410 -9.8841 -9.8841 -9.8185 -9.8185 -4.0357 -4.0357 -3.7434 -3.7434 -3.0178 -3.0178 -2.7547 -2.7547 -1.5302 -1.5302 -1.5058 -1.5058 0.1685 0.1685 0.2430 0.2430 5.1906 5.1906 5.4204 5.4204 6.0563 6.0563 6.3141 6.3141 k = 0.4844 0.4910-0.0000 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6955 -18.6955 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8847 -9.8847 -9.8113 -9.8113 -4.0174 -4.0174 -3.7129 -3.7129 -3.0231 -3.0231 -2.7961 -2.7961 -1.5635 -1.5635 -1.5223 -1.5223 0.1634 0.1634 0.2539 0.2539 5.1932 5.1932 5.4585 5.4585 6.0517 6.0517 6.3040 6.3040 k = 0.4933 0.5000-0.0000 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2600 0.2600 5.1944 5.1944 5.4809 5.4809 6.0492 6.0492 6.2981 6.2981 k = 0.4933 0.5000-0.0000 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2600 0.2600 5.1944 5.1944 5.4809 5.4809 6.0492 6.0492 6.2981 6.2981 k = 0.4807 0.5000-0.0000 ( 7246 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6955 -18.6932 -18.6930 -18.6619 -18.6618 -18.6545 -18.6544 -18.6455 -18.6454 -18.6410 -18.6409 -9.8857 -9.8856 -9.8097 -9.8096 -4.0158 -4.0147 -3.7103 -3.7102 -3.0183 -3.0169 -2.8083 -2.8041 -1.5727 -1.5712 -1.5207 -1.5176 0.1610 0.1612 0.2566 0.2570 5.1857 5.1944 5.4625 5.4707 6.0501 6.0561 6.2803 6.3159 k = 0.4680 0.5000-0.0000 ( 7252 PWs) bands (ev): -19.7198 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6828 -19.6828 -18.6956 -18.6953 -18.6932 -18.6928 -18.6620 -18.6618 -18.6546 -18.6544 -18.6455 -18.6454 -18.6411 -18.6408 -9.8877 -9.8875 -9.8137 -9.8135 -4.0325 -4.0304 -3.7389 -3.7388 -2.9973 -2.9946 -2.7899 -2.7816 -1.5472 -1.5441 -1.5035 -1.4973 0.1605 0.1609 0.2518 0.2527 5.1696 5.1864 5.4358 5.4509 6.0567 6.0674 6.2609 6.3247 k = 0.4554 0.5000-0.0000 ( 7254 PWs) bands (ev): -19.7198 -19.7196 -19.7174 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6957 -18.6952 -18.6932 -18.6927 -18.6620 -18.6617 -18.6548 -18.6543 -18.6456 -18.6454 -18.6412 -18.6408 -9.8912 -9.8909 -9.8192 -9.8188 -4.0562 -4.0532 -3.7787 -3.7783 -2.9651 -2.9613 -2.7649 -2.7529 -1.5116 -1.5071 -1.4749 -1.4658 0.1588 0.1595 0.2458 0.2471 5.1466 5.1704 5.4025 5.4226 6.0682 6.0816 6.2425 6.3233 k = 0.4427 0.5000-0.0000 ( 7256 PWs) bands (ev): -19.7198 -19.7195 -19.7174 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6956 -18.6950 -18.6932 -18.6925 -18.6621 -18.6617 -18.6549 -18.6543 -18.6457 -18.6454 -18.6414 -18.6408 -9.8960 -9.8956 -9.8260 -9.8256 -4.0858 -4.0823 -3.8267 -3.8262 -2.9242 -2.9194 -2.7337 -2.7184 -1.4664 -1.4608 -1.4351 -1.4236 0.1562 0.1572 0.2386 0.2404 5.1173 5.1468 5.3640 5.3870 6.0831 6.0973 6.2260 6.3156 k = 0.4301 0.5000-0.0000 ( 7255 PWs) bands (ev): -19.7198 -19.7195 -19.7174 -19.7173 -19.6860 -19.6856 -19.6830 -19.6828 -18.6956 -18.6949 -18.6932 -18.6922 -18.6622 -18.6616 -18.6551 -18.6543 -18.6458 -18.6454 -18.6415 -18.6408 -9.9021 -9.9016 -9.8343 -9.8337 -4.1206 -4.1167 -3.8806 -3.8798 -2.8764 -2.8708 -2.6968 -2.6787 -1.4124 -1.4063 -1.3845 -1.3714 0.1526 0.1540 0.2302 0.2327 5.0825 5.1161 5.3215 5.3457 6.0998 6.1128 6.2121 6.3053 k = 0.4174 0.5000-0.0000 ( 7250 PWs) bands (ev): -19.7199 -19.7195 -19.7173 -19.7172 -19.6860 -19.6856 -19.6830 -19.6828 -18.6955 -18.6947 -18.6931 -18.6920 -18.6622 -18.6616 -18.6552 -18.6543 -18.6459 -18.6454 -18.6417 -18.6409 -9.9095 -9.9089 -9.8438 -9.8431 -4.1596 -4.1556 -3.9385 -3.9374 -2.8231 -2.8167 -2.6546 -2.6342 -1.3503 -1.3442 -1.3238 -1.3098 0.1483 0.1502 0.2209 0.2242 5.0428 5.0790 5.2759 5.2997 6.1168 6.1264 6.2008 6.2940 k = 0.4048 0.5000-0.0000 ( 7259 PWs) bands (ev): -19.7199 -19.7194 -19.7173 -19.7172 -19.6860 -19.6856 -19.6830 -19.6828 -18.6955 -18.6945 -18.6930 -18.6918 -18.6623 -18.6616 -18.6554 -18.6543 -18.6460 -18.6454 -18.6418 -18.6409 -9.9181 -9.9174 -9.8546 -9.8538 -4.2021 -4.1980 -3.9989 -3.9976 -2.7651 -2.7580 -2.6073 -2.5850 -1.2808 -1.2752 -1.2541 -1.2397 0.1432 0.1459 0.2109 0.2151 4.9989 5.0365 5.2277 5.2502 6.1325 6.1358 6.1925 6.2815 k = 0.3921 0.5000-0.0000 ( 7259 PWs) bands (ev): -19.7199 -19.7194 -19.7172 -19.7171 -19.6861 -19.6856 -19.6831 -19.6829 -18.6954 -18.6943 -18.6929 -18.6915 -18.6624 -18.6615 -18.6556 -18.6544 -18.6461 -18.6455 -18.6420 -18.6410 -9.9278 -9.9270 -9.8665 -9.8656 -4.2471 -4.2432 -4.0608 -4.0592 -2.7031 -2.6954 -2.5553 -2.5315 -1.2048 -1.1994 -1.1767 -1.1620 0.1377 0.1413 0.2003 0.2057 4.9515 4.9894 5.1774 5.1979 6.1380 6.1453 6.1878 6.2675 k = 0.3795 0.5000-0.0000 ( 7261 PWs) bands (ev): -19.7199 -19.7193 -19.7172 -19.7170 -19.6861 -19.6856 -19.6832 -19.6829 -18.6952 -18.6941 -18.6928 -18.6913 -18.6625 -18.6615 -18.6558 -18.6544 -18.6462 -18.6455 -18.6422 -18.6410 -9.9386 -9.9377 -9.8795 -9.8785 -4.2942 -4.2904 -4.1234 -4.1216 -2.6372 -2.6289 -2.4987 -2.4737 -1.1230 -1.1175 -1.0928 -1.0776 0.1318 0.1368 0.1894 0.1965 4.9010 4.9386 5.1253 5.1434 6.1318 6.1534 6.1854 6.2512 k = 0.3668 0.5000-0.0000 ( 7249 PWs) bands (ev): -19.7199 -19.7193 -19.7171 -19.7169 -19.6862 -19.6855 -19.6832 -19.6829 -18.6951 -18.6939 -18.6926 -18.6910 -18.6626 -18.6614 -18.6560 -18.6544 -18.6464 -18.6455 -18.6424 -18.6411 -9.9503 -9.9493 -9.8934 -9.8923 -4.3427 -4.3391 -4.1861 -4.1841 -2.5677 -2.5590 -2.4376 -2.4118 -1.0365 -1.0302 -1.0037 -0.9874 0.1258 0.1327 0.1787 0.1879 4.8480 4.8848 5.0716 5.0872 6.1182 6.1552 6.1816 6.2317 k = 0.3542 0.5000-0.0000 ( 7251 PWs) bands (ev): -19.7199 -19.7192 -19.7171 -19.7169 -19.6862 -19.6855 -19.6833 -19.6830 -18.6949 -18.6937 -18.6924 -18.6907 -18.6626 -18.6614 -18.6562 -18.6545 -18.6465 -18.6455 -18.6426 -18.6412 -9.9628 -9.9618 -9.9081 -9.9070 -4.3920 -4.3887 -4.2484 -4.2463 -2.4948 -2.4855 -2.3723 -2.3458 -0.9463 -0.9385 -0.9102 -0.8924 0.1199 0.1293 0.1687 0.1807 4.7928 4.8287 5.0164 5.0297 6.0984 6.1486 6.1727 6.2085 k = 0.3415 0.5000-0.0000 ( 7253 PWs) bands (ev): -19.7199 -19.7192 -19.7170 -19.7168 -19.6862 -19.6855 -19.6834 -19.6830 -18.6948 -18.6935 -18.6922 -18.6904 -18.6627 -18.6613 -18.6565 -18.6545 -18.6466 -18.6455 -18.6429 -18.6413 -9.9760 -9.9750 -9.9236 -9.9224 -4.4417 -4.4387 -4.3100 -4.3077 -2.4183 -2.4087 -2.3028 -2.2759 -0.8538 -0.8439 -0.8133 -0.7935 0.1144 0.1271 0.1606 0.1759 4.7359 4.7706 4.9600 4.9711 6.0723 6.1319 6.1566 6.1813 k = 0.3289 0.5000-0.0000 ( 7245 PWs) bands (ev): -19.7198 -19.7191 -19.7170 -19.7167 -19.6863 -19.6855 -19.6834 -19.6831 -18.6946 -18.6933 -18.6919 -18.6902 -18.6628 -18.6613 -18.6567 -18.6546 -18.6468 -18.6455 -18.6431 -18.6414 -9.9899 -9.9888 -9.9397 -9.9385 -4.4914 -4.4888 -4.3705 -4.3682 -2.3386 -2.3285 -2.2293 -2.2022 -0.7604 -0.7480 -0.7141 -0.6918 0.1098 0.1259 0.1562 0.1750 4.6774 4.7111 4.9025 4.9115 6.0397 6.1037 6.1316 6.1498 k = 0.3162 0.5000-0.0000 ( 7245 PWs) bands (ev): -19.7198 -19.7190 -19.7169 -19.7166 -19.6863 -19.6855 -19.6835 -19.6831 -18.6944 -18.6931 -18.6917 -18.6899 -18.6629 -18.6612 -18.6570 -18.6547 -18.6469 -18.6455 -18.6433 -18.6415 -10.0044 -10.0032 -9.9563 -9.9551 -4.5408 -4.5385 -4.4298 -4.4274 -2.2555 -2.2452 -2.1519 -2.1247 -0.6682 -0.6533 -0.6138 -0.5890 0.1070 0.1256 0.1585 0.1797 4.6175 4.6502 4.8439 4.8510 6.0000 6.0644 6.0971 6.1125 k = 0.3036 0.5000-0.0000 ( 7245 PWs) bands (ev): -19.7198 -19.7190 -19.7169 -19.7165 -19.6863 -19.6854 -19.6836 -19.6832 -18.6942 -18.6929 -18.6915 -18.6896 -18.6629 -18.6611 -18.6572 -18.6547 -18.6471 -18.6455 -18.6436 -18.6416 -10.0192 -10.0180 -9.9734 -9.9721 -4.5896 -4.5875 -4.4876 -4.4851 -2.1693 -2.1586 -2.0709 -2.0437 -0.5797 -0.5628 -0.5140 -0.4871 0.1079 0.1274 0.1704 0.1922 4.5564 4.5883 4.7843 4.7897 5.9534 6.0157 6.0528 6.0677 k = 0.2909 0.5000-0.0000 ( 7247 PWs) bands (ev): -19.7197 -19.7189 -19.7169 -19.7165 -19.6863 -19.6854 -19.6837 -19.6832 -18.6940 -18.6927 -18.6912 -18.6894 -18.6630 -18.6610 -18.6575 -18.6548 -18.6472 -18.6455 -18.6438 -18.6417 -10.0343 -10.0332 -9.9907 -9.9894 -4.6375 -4.6357 -4.5437 -4.5412 -2.0799 -2.0690 -1.9863 -1.9593 -0.4979 -0.4798 -0.4179 -0.3897 0.1155 0.1347 0.1941 0.2150 4.4942 4.5254 4.7236 4.7275 5.8999 5.9590 5.9991 6.0147 k = 0.2783 0.5000-0.0000 ( 7259 PWs) bands (ev): -19.7197 -19.7188 -19.7168 -19.7164 -19.6864 -19.6854 -19.6837 -19.6833 -18.6937 -18.6926 -18.6910 -18.6891 -18.6630 -18.6609 -18.6577 -18.6549 -18.6474 -18.6454 -18.6441 -18.6419 -10.0497 -10.0485 -10.0082 -10.0069 -4.6843 -4.6828 -4.5981 -4.5956 -1.9877 -1.9765 -1.8985 -1.8717 -0.4261 -0.4080 -0.3303 -0.3023 0.1354 0.1529 0.2320 0.2511 4.4308 4.4616 4.6618 4.6643 5.8402 5.8955 5.9366 5.9534 k = 0.2656 0.5000-0.0000 ( 7255 PWs) bands (ev): -19.7196 -19.7188 -19.7168 -19.7163 -19.6864 -19.6854 -19.6838 -19.6833 -18.6935 -18.6924 -18.6907 -18.6889 -18.6631 -18.6608 -18.6580 -18.6550 -18.6475 -18.6454 -18.6443 -18.6420 -10.0651 -10.0639 -10.0258 -10.0245 -4.7299 -4.7285 -4.6505 -4.6481 -1.8927 -1.8814 -1.8076 -1.7811 -0.3669 -0.3500 -0.2577 -0.2321 0.1745 0.1887 0.2861 0.3026 4.3665 4.3970 4.5987 4.6001 5.7752 5.8265 5.8664 5.8846 k = 0.2530 0.5000-0.0000 ( 7265 PWs) bands (ev): -19.7196 -19.7187 -19.7168 -19.7163 -19.6864 -19.6854 -19.6839 -19.6834 -18.6933 -18.6922 -18.6905 -18.6887 -18.6631 -18.6607 -18.6582 -18.6550 -18.6476 -18.6454 -18.6445 -18.6421 -10.0806 -10.0794 -10.0433 -10.0420 -4.7740 -4.7729 -4.7010 -4.6986 -1.7952 -1.7837 -1.7140 -1.6878 -0.3213 -0.3066 -0.2054 -0.1845 0.2379 0.2470 0.3565 0.3698 4.3010 4.3315 4.5343 4.5348 5.7059 5.7535 5.7898 5.8095 k = 0.2403 0.5000-0.0000 ( 7269 PWs) bands (ev): -19.7195 -19.7186 -19.7168 -19.7162 -19.6864 -19.6853 -19.6840 -19.6835 -18.6931 -18.6920 -18.6903 -18.6885 -18.6632 -18.6606 -18.6585 -18.6551 -18.6477 -18.6453 -18.6448 -18.6422 -10.0959 -10.0947 -10.0607 -10.0595 -4.8165 -4.8156 -4.7495 -4.7470 -1.6954 -1.6838 -1.6180 -1.5923 -0.2883 -0.2760 -0.1732 -0.1575 0.3235 0.3275 0.4413 0.4515 4.2346 4.2653 4.4682 4.4685 5.6337 5.6776 5.7082 5.7293 k = 0.2277 0.5000-0.0000 ( 7269 PWs) bands (ev): -19.7195 -19.7185 -19.7168 -19.7162 -19.6864 -19.6853 -19.6841 -19.6835 -18.6928 -18.6919 -18.6901 -18.6883 -18.6632 -18.6605 -18.6587 -18.6552 -18.6479 -18.6453 -18.6450 -18.6423 -10.1110 -10.1099 -10.0779 -10.0766 -4.8573 -4.8565 -4.7958 -4.7934 -1.5937 -1.5821 -1.5200 -1.4948 -0.2654 -0.2556 -0.1561 -0.1447 0.4245 0.4248 0.5372 0.5445 4.1671 4.1983 4.4003 4.4013 5.5599 5.6004 5.6230 5.6456 k = 0.2150 0.5000-0.0000 ( 7265 PWs) bands (ev): -19.7194 -19.7185 -19.7168 -19.7162 -19.6864 -19.6853 -19.6842 -19.6836 -18.6926 -18.6917 -18.6899 -18.6882 -18.6632 -18.6603 -18.6589 -18.6553 -18.6480 -18.6452 -18.6452 -18.6424 -10.1258 -10.1247 -10.0947 -10.0935 -4.8963 -4.8956 -4.8398 -4.8375 -1.4906 -1.4789 -1.4205 -1.3958 -0.2498 -0.2421 -0.1482 -0.1400 0.5325 0.5343 0.6406 0.6455 4.0988 4.1308 4.3313 4.3327 5.4860 5.5228 5.5358 5.5603 k = 0.2024 0.5000-0.0000 ( 7269 PWs) bands (ev): -19.7193 -19.7184 -19.7168 -19.7162 -19.6864 -19.6853 -19.6843 -19.6836 -18.6924 -18.6915 -18.6897 -18.6881 -18.6632 -18.6602 -18.6592 -18.6554 -18.6480 -18.6454 -18.6452 -18.6425 -10.1402 -10.1391 -10.1111 -10.1099 -4.9334 -4.9328 -4.8817 -4.8794 -1.3864 -1.3748 -1.3200 -1.2959 -0.2388 -0.2330 -0.1452 -0.1392 0.6459 0.6486 0.7485 0.7516 4.0299 4.0631 4.2613 4.2631 5.4132 5.4455 5.4482 5.4756 k = 0.1897 0.5000-0.0000 ( 7273 PWs) bands (ev): -19.7193 -19.7183 -19.7168 -19.7161 -19.6864 -19.6852 -19.6843 -19.6837 -18.6921 -18.6914 -18.6896 -18.6880 -18.6632 -18.6600 -18.6594 -18.6555 -18.6481 -18.6456 -18.6451 -18.6426 -10.1542 -10.1531 -10.1270 -10.1259 -4.9684 -4.9680 -4.9212 -4.9190 -1.2818 -1.2704 -1.2192 -1.1959 -0.2304 -0.2263 -0.1441 -0.1397 0.7616 0.7641 0.8582 0.8599 3.9609 3.9955 4.1910 4.1928 5.3418 5.3622 5.3676 5.3948 k = 0.1771 0.5000-0.0000 ( 7273 PWs) bands (ev): -19.7192 -19.7182 -19.7168 -19.7161 -19.6864 -19.6852 -19.6844 -19.6838 -18.6919 -18.6912 -18.6895 -18.6879 -18.6632 -18.6598 -18.6596 -18.6555 -18.6482 -18.6458 -18.6450 -18.6427 -10.1675 -10.1665 -10.1423 -10.1412 -5.0015 -5.0011 -4.9584 -4.9563 -1.1777 -1.1666 -1.1191 -1.0967 -0.2228 -0.2201 -0.1430 -0.1397 0.8770 0.8785 0.9675 0.9680 3.8925 3.9290 4.1210 4.1229 5.2681 5.2839 5.2875 5.3215 k = 0.1644 0.5000-0.0000 ( 7274 PWs) bands (ev): -19.7191 -19.7181 -19.7169 -19.7162 -19.6863 -19.6852 -19.6845 -19.6838 -18.6917 -18.6911 -18.6894 -18.6879 -18.6631 -18.6598 -18.6597 -18.6556 -18.6482 -18.6460 -18.6449 -18.6428 -10.1802 -10.1793 -10.1570 -10.1559 -5.0323 -5.0320 -4.9932 -4.9912 -1.0751 -1.0645 -1.0207 -0.9995 -0.2142 -0.2129 -0.1400 -0.1378 0.9899 0.9900 1.0738 1.0742 3.8257 3.8645 4.0525 4.0544 5.1880 5.2071 5.2188 5.2559 k = 0.1518 0.5000-0.0000 ( 7270 PWs) bands (ev): -19.7190 -19.7180 -19.7169 -19.7162 -19.6863 -19.6851 -19.6846 -19.6839 -18.6915 -18.6909 -18.6893 -18.6879 -18.6631 -18.6600 -18.6595 -18.6557 -18.6483 -18.6462 -18.6448 -18.6428 -10.1922 -10.1913 -10.1709 -10.1699 -5.0610 -5.0608 -5.0256 -5.0237 -0.9755 -0.9657 -0.9257 -0.9059 -0.2031 -0.2031 -0.1337 -0.1322 1.0962 1.0985 1.1749 1.1763 3.7618 3.8035 3.9870 3.9889 5.1090 5.1287 5.1610 5.1968 k = 0.1391 0.5000-0.0000 ( 7272 PWs) bands (ev): -19.7189 -19.7179 -19.7170 -19.7162 -19.6863 -19.6851 -19.6847 -19.6840 -18.6913 -18.6908 -18.6892 -18.6879 -18.6630 -18.6602 -18.6593 -18.6558 -18.6483 -18.6464 -18.6448 -18.6429 -10.2034 -10.2026 -10.1840 -10.1830 -5.0875 -5.0872 -5.0556 -5.0538 -0.8807 -0.8720 -0.8360 -0.8178 -0.1890 -0.1876 -0.1221 -0.1214 1.1953 1.2003 1.2692 1.2715 3.7027 3.7478 3.9263 3.9282 5.0334 5.0536 5.1088 5.1437 k = 0.1265 0.5000-0.0000 ( 7270 PWs) bands (ev): -19.7188 -19.7178 -19.7170 -19.7162 -19.6863 -19.6851 -19.6848 -19.6840 -18.6910 -18.6907 -18.6892 -18.6879 -18.6630 -18.6604 -18.6591 -18.6559 -18.6483 -18.6466 -18.6447 -18.6430 -10.2138 -10.2131 -10.1962 -10.1953 -5.1117 -5.1114 -5.0832 -5.0815 -0.7931 -0.7858 -0.7538 -0.7378 -0.1685 -0.1656 -0.1035 -0.1034 1.2852 1.2933 1.3543 1.3576 3.6507 3.6996 3.8724 3.8747 4.9619 4.9826 5.0617 5.0964 k = 0.1138 0.5000-0.0000 ( 7276 PWs) bands (ev): -19.7187 -19.7177 -19.7171 -19.7163 -19.6862 -19.6850 -19.6849 -19.6841 -18.6908 -18.6905 -18.6891 -18.6880 -18.6629 -18.6605 -18.6589 -18.6560 -18.6483 -18.6467 -18.6446 -18.6431 -10.2233 -10.2226 -10.2075 -10.2067 -5.1335 -5.1333 -5.1083 -5.1066 -0.7154 -0.7100 -0.6818 -0.6682 -0.1394 -0.1349 -0.0767 -0.0757 1.3638 1.3751 1.4278 1.4325 3.6080 3.6611 3.8272 3.8304 4.8948 4.9162 5.0194 5.0544 k = 0.1012 0.5000-0.0000 ( 7270 PWs) bands (ev): -19.7186 -19.7177 -19.7171 -19.7163 -19.6862 -19.6850 -19.6850 -19.6842 -18.6906 -18.6904 -18.6891 -18.6881 -18.6628 -18.6607 -18.6587 -18.6561 -18.6483 -18.6469 -18.6445 -18.6431 -10.2318 -10.2312 -10.2178 -10.2171 -5.1531 -5.1528 -5.1309 -5.1294 -0.6500 -0.6467 -0.6221 -0.6111 -0.1003 -0.0940 -0.0398 -0.0381 1.4291 1.4438 1.4876 1.4941 3.5772 3.6346 3.7926 3.7974 4.8324 4.8547 4.9810 5.0169 k = 0.0885 0.5000-0.0000 ( 7270 PWs) bands (ev): -19.7185 -19.7176 -19.7172 -19.7164 -19.6861 -19.6851 -19.6849 -19.6842 -18.6904 -18.6903 -18.6892 -18.6882 -18.6627 -18.6609 -18.6585 -18.6562 -18.6483 -18.6470 -18.6444 -18.6432 -10.2393 -10.2388 -10.2271 -10.2265 -5.1702 -5.1699 -5.1510 -5.1496 -0.5982 -0.5969 -0.5755 -0.5670 -0.0510 -0.0430 0.0067 0.0089 1.4801 1.4979 1.5325 1.5411 3.5603 3.6220 3.7697 3.7771 4.7749 4.7985 4.9452 4.9828 k = 0.0759 0.5000-0.0000 ( 7275 PWs) bands (ev): -19.7184 -19.7175 -19.7173 -19.7164 -19.6861 -19.6852 -19.6849 -19.6843 -18.6902 -18.6902 -18.6892 -18.6883 -18.6626 -18.6610 -18.6583 -18.6564 -18.6482 -18.6472 -18.6443 -18.6433 -10.2458 -10.2453 -10.2354 -10.2348 -5.1849 -5.1846 -5.1687 -5.1673 -0.5596 -0.5594 -0.5413 -0.5348 0.0065 0.0159 0.0604 0.0625 1.5162 1.5369 1.5619 1.5731 3.5584 3.6238 3.7583 3.7697 4.7227 4.7483 4.9102 4.9502 k = 0.0632 0.5000-0.0000 ( 7270 PWs) bands (ev): -19.7183 -19.7174 -19.7174 -19.7165 -19.6860 -19.6852 -19.6849 -19.6843 -18.6901 -18.6901 -18.6892 -18.6884 -18.6625 -18.6612 -18.6582 -18.6565 -18.6482 -18.6473 -18.6442 -18.6433 -10.2512 -10.2508 -10.2425 -10.2421 -5.1972 -5.1968 -5.1838 -5.1825 -0.5327 -0.5314 -0.5175 -0.5124 0.0683 0.0786 0.1172 0.1187 1.5385 1.5615 1.5770 1.5909 3.5711 3.6394 3.7567 3.7738 4.6769 4.7054 4.8731 4.9163 k = 0.0506 0.5000-0.0000 ( 7276 PWs) bands (ev): -19.7182 -19.7175 -19.7173 -19.7166 -19.6859 -19.6853 -19.6848 -19.6844 -18.6900 -18.6899 -18.6893 -18.6885 -18.6624 -18.6613 -18.6580 -18.6566 -18.6481 -18.6474 -18.6441 -18.6434 -10.2555 -10.2552 -10.2486 -10.2482 -5.2071 -5.2066 -5.1964 -5.1953 -0.5138 -0.5119 -0.5016 -0.4975 0.1295 0.1404 0.1723 0.1727 1.5492 1.5740 1.5802 1.5969 3.5964 3.6665 3.7614 3.7860 4.6394 4.6718 4.8310 4.8776 k = 0.0379 0.5000-0.0000 ( 7281 PWs) bands (ev): -19.7181 -19.7175 -19.7172 -19.7167 -19.6859 -19.6854 -19.6848 -19.6845 -18.6899 -18.6897 -18.6893 -18.6887 -18.6623 -18.6615 -18.6578 -18.6568 -18.6481 -18.6475 -18.6440 -18.6435 -10.2587 -10.2585 -10.2535 -10.2532 -5.2145 -5.2139 -5.2065 -5.2055 -0.5007 -0.4985 -0.4915 -0.4881 0.1854 0.1962 0.2196 0.2210 1.5519 1.5751 1.5779 1.5945 3.6308 3.7015 3.7673 3.8009 4.6130 4.6503 4.7823 4.8318 k = 0.0253 0.5000-0.0000 ( 7277 PWs) bands (ev): -19.7180 -19.7176 -19.7171 -19.7167 -19.6858 -19.6855 -19.6847 -19.6845 -18.6898 -18.6895 -18.6894 -18.6888 -18.6622 -18.6616 -18.6576 -18.6569 -18.6480 -18.6477 -18.6439 -18.6436 -10.2607 -10.2606 -10.2573 -10.2570 -5.2194 -5.2188 -5.2141 -5.2131 -0.4919 -0.4895 -0.4858 -0.4828 0.2313 0.2415 0.2551 0.2585 1.5506 1.5660 1.5771 1.5880 3.6697 3.7392 3.7683 3.8119 4.6017 4.6443 4.7292 4.7805 k = 0.0126 0.5000-0.0000 ( 7279 PWs) bands (ev): -19.7179 -19.7177 -19.7170 -19.7168 -19.6857 -19.6856 -19.6847 -19.6846 -18.6897 -18.6895 -18.6893 -18.6890 -18.6620 -18.6618 -18.6574 -18.6571 -18.6479 -18.6478 -18.6438 -18.6436 -10.2615 -10.2615 -10.2598 -10.2597 -5.2218 -5.2211 -5.2192 -5.2183 -0.4864 -0.4839 -0.4834 -0.4806 0.2632 0.2724 0.2755 0.2811 1.5493 1.5570 1.5757 1.5811 3.7074 3.7595 3.7739 3.8127 4.6088 4.6562 4.6776 4.7293 k = 0.0000 0.5000-0.0000 ( 7276 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4836 -0.4836 -0.4810 -0.4810 0.2784 0.2784 0.2860 0.2860 1.5511 1.5511 1.5766 1.5766 3.7387 3.7387 3.7998 3.7998 4.6352 4.6352 4.6857 4.6857 k = 0.0000 0.5000-0.0000 ( 7276 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4836 -0.4836 -0.4810 -0.4810 0.2784 0.2784 0.2860 0.2860 1.5511 1.5511 1.5766 1.5766 3.7387 3.7387 3.7998 3.7998 4.6352 4.6352 4.6857 4.6857 k = 0.0000 0.5000 0.0123 ( 7280 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4836 -0.4836 -0.4810 -0.4810 0.2784 0.2784 0.2860 0.2860 1.5511 1.5511 1.5766 1.5766 3.7388 3.7388 3.7998 3.7998 4.6352 4.6352 4.6857 4.6857 k = 0.0000 0.5000 0.0245 ( 7278 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4836 -0.4836 -0.4809 -0.4809 0.2784 0.2784 0.2860 0.2860 1.5511 1.5511 1.5766 1.5766 3.7388 3.7388 3.7999 3.7999 4.6351 4.6351 4.6857 4.6857 k = 0.0000 0.5000 0.0368 ( 7278 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4835 -0.4835 -0.4809 -0.4809 0.2784 0.2784 0.2860 0.2860 1.5510 1.5510 1.5765 1.5765 3.7389 3.7389 3.8000 3.8000 4.6350 4.6350 4.6857 4.6857 k = 0.0000 0.5000 0.0491 ( 7268 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4835 -0.4835 -0.4808 -0.4808 0.2784 0.2784 0.2860 0.2860 1.5509 1.5509 1.5765 1.5765 3.7390 3.7390 3.8002 3.8002 4.6348 4.6348 4.6857 4.6857 k = 0.0000 0.5000 0.0613 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4834 -0.4834 -0.4808 -0.4808 0.2784 0.2784 0.2860 0.2860 1.5508 1.5508 1.5764 1.5764 3.7391 3.7391 3.8004 3.8004 4.6345 4.6345 4.6856 4.6856 k = 0.0000 0.5000 0.0736 ( 7274 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4833 -0.4833 -0.4807 -0.4807 0.2784 0.2784 0.2860 0.2860 1.5507 1.5507 1.5763 1.5763 3.7393 3.7393 3.8006 3.8006 4.6342 4.6342 4.6856 4.6856 k = 0.0000 0.5000 0.0859 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4833 -0.4833 -0.4806 -0.4806 0.2784 0.2784 0.2860 0.2860 1.5506 1.5506 1.5762 1.5762 3.7394 3.7394 3.8008 3.8008 4.6340 4.6340 4.6856 4.6856 k = 0.0000 0.5000 0.0981 ( 7262 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2217 -5.2217 -5.2210 -5.2210 -0.4832 -0.4832 -0.4805 -0.4805 0.2784 0.2784 0.2860 0.2860 1.5505 1.5505 1.5760 1.5760 3.7395 3.7395 3.8010 3.8010 4.6337 4.6337 4.6855 4.6855 k = 0.0000 0.5000 0.1104 ( 7268 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4831 -0.4831 -0.4804 -0.4804 0.2784 0.2784 0.2860 0.2860 1.5504 1.5504 1.5759 1.5759 3.7397 3.7397 3.8012 3.8012 4.6334 4.6334 4.6855 4.6855 k = 0.0000 0.5000 0.1227 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4830 -0.4830 -0.4804 -0.4804 0.2784 0.2784 0.2860 0.2860 1.5503 1.5503 1.5758 1.5758 3.7398 3.7398 3.8014 3.8014 4.6331 4.6331 4.6854 4.6854 k = 0.0000 0.5000 0.1349 ( 7276 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4830 -0.4830 -0.4803 -0.4803 0.2784 0.2784 0.2860 0.2860 1.5503 1.5503 1.5758 1.5758 3.7399 3.7399 3.8016 3.8016 4.6329 4.6329 4.6854 4.6854 k = 0.0000 0.5000 0.1472 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4829 -0.4829 -0.4803 -0.4803 0.2784 0.2784 0.2860 0.2860 1.5502 1.5502 1.5757 1.5757 3.7400 3.7400 3.8017 3.8017 4.6328 4.6328 4.6854 4.6854 k = 0.0000 0.5000 0.1594 ( 7276 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4829 -0.4829 -0.4803 -0.4803 0.2784 0.2784 0.2860 0.2860 1.5502 1.5502 1.5757 1.5757 3.7400 3.7400 3.8017 3.8017 4.6327 4.6327 4.6854 4.6854 k = 0.0000 0.5000 0.1717 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4829 -0.4829 -0.4802 -0.4802 0.2784 0.2784 0.2860 0.2860 1.5502 1.5502 1.5757 1.5757 3.7401 3.7401 3.8018 3.8018 4.6326 4.6326 4.6854 4.6854 k = 0.0000 0.5000 0.1717 ( 7272 PWs) bands (ev): -19.7178 -19.7178 -19.7169 -19.7169 -19.6857 -19.6857 -19.6846 -19.6846 -18.6896 -18.6896 -18.6892 -18.6892 -18.6619 -18.6619 -18.6573 -18.6573 -18.6478 -18.6478 -18.6437 -18.6437 -10.2613 -10.2613 -10.2612 -10.2612 -5.2218 -5.2218 -5.2210 -5.2210 -0.4829 -0.4829 -0.4802 -0.4802 0.2784 0.2784 0.2860 0.2860 1.5502 1.5502 1.5757 1.5757 3.7401 3.7401 3.8018 3.8018 4.6326 4.6326 4.6854 4.6854 k = 0.0126 0.5000 0.1717 ( 7280 PWs) bands (ev): -19.7179 -19.7177 -19.7170 -19.7168 -19.6857 -19.6856 -19.6847 -19.6846 -18.6897 -18.6895 -18.6893 -18.6890 -18.6620 -18.6618 -18.6574 -18.6571 -18.6479 -18.6478 -18.6438 -18.6436 -10.2615 -10.2615 -10.2598 -10.2597 -5.2218 -5.2211 -5.2192 -5.2183 -0.4857 -0.4832 -0.4826 -0.4798 0.2632 0.2724 0.2755 0.2811 1.5484 1.5561 1.5747 1.5801 3.7084 3.7608 3.7754 3.8146 4.6057 4.6550 4.6758 4.7301 k = 0.0253 0.5000 0.1717 ( 7280 PWs) bands (ev): -19.7180 -19.7176 -19.7171 -19.7167 -19.6858 -19.6855 -19.6847 -19.6845 -18.6898 -18.6895 -18.6894 -18.6888 -18.6622 -18.6616 -18.6576 -18.6569 -18.6480 -18.6477 -18.6439 -18.6436 -10.2607 -10.2606 -10.2573 -10.2570 -5.2194 -5.2188 -5.2141 -5.2132 -0.4912 -0.4888 -0.4851 -0.4821 0.2313 0.2416 0.2551 0.2585 1.5497 1.5651 1.5762 1.5870 3.6700 3.7400 3.7691 3.8133 4.5985 4.6428 4.7282 4.7822 k = 0.0379 0.5000 0.1717 ( 7274 PWs) bands (ev): -19.7181 -19.7176 -19.7172 -19.7167 -19.6859 -19.6854 -19.6848 -19.6845 -18.6899 -18.6897 -18.6893 -18.6887 -18.6623 -18.6615 -18.6578 -18.6568 -18.6481 -18.6475 -18.6440 -18.6435 -10.2587 -10.2585 -10.2535 -10.2532 -5.2145 -5.2139 -5.2065 -5.2055 -0.5000 -0.4978 -0.4908 -0.4874 0.1854 0.1962 0.2196 0.2210 1.5511 1.5743 1.5770 1.5937 3.6303 3.7012 3.7672 3.8013 4.6101 4.6488 4.7815 4.8336 k = 0.0506 0.5000 0.1717 ( 7272 PWs) bands (ev): -19.7182 -19.7175 -19.7173 -19.7166 -19.6859 -19.6853 -19.6848 -19.6844 -18.6900 -18.6899 -18.6893 -18.6885 -18.6624 -18.6613 -18.6580 -18.6566 -18.6481 -18.6474 -18.6441 -18.6434 -10.2555 -10.2552 -10.2486 -10.2482 -5.2071 -5.2066 -5.1964 -5.1953 -0.5131 -0.5112 -0.5009 -0.4969 0.1296 0.1404 0.1724 0.1727 1.5485 1.5733 1.5795 1.5962 3.5949 3.6652 3.7603 3.7852 4.6370 4.6705 4.8294 4.8782 k = 0.0632 0.5000 0.1717 ( 7266 PWs) bands (ev): -19.7183 -19.7174 -19.7174 -19.7165 -19.6860 -19.6852 -19.6849 -19.6843 -18.6901 -18.6901 -18.6892 -18.6884 -18.6625 -18.6612 -18.6582 -18.6565 -18.6482 -18.6473 -18.6442 -18.6433 -10.2512 -10.2508 -10.2425 -10.2421 -5.1972 -5.1968 -5.1838 -5.1826 -0.5321 -0.5308 -0.5169 -0.5118 0.0684 0.0787 0.1173 0.1188 1.5379 1.5610 1.5765 1.5903 3.5685 3.6368 3.7543 3.7717 4.6752 4.7046 4.8703 4.9151 k = 0.0759 0.5000 0.1717 ( 7256 PWs) bands (ev): -19.7184 -19.7175 -19.7173 -19.7164 -19.6861 -19.6852 -19.6849 -19.6843 -18.6902 -18.6902 -18.6892 -18.6883 -18.6626 -18.6610 -18.6583 -18.6564 -18.6482 -18.6472 -18.6443 -18.6433 -10.2458 -10.2453 -10.2354 -10.2348 -5.1849 -5.1846 -5.1687 -5.1673 -0.5590 -0.5588 -0.5408 -0.5343 0.0067 0.0160 0.0605 0.0627 1.5158 1.5365 1.5616 1.5727 3.5547 3.6200 3.7545 3.7663 4.7217 4.7482 4.9063 4.9474 k = 0.0885 0.5000 0.1717 ( 7258 PWs) bands (ev): -19.7185 -19.7176 -19.7172 -19.7164 -19.6861 -19.6851 -19.6849 -19.6842 -18.6904 -18.6903 -18.6892 -18.6882 -18.6627 -18.6609 -18.6585 -18.6562 -18.6483 -18.6470 -18.6444 -18.6432 -10.2393 -10.2388 -10.2271 -10.2265 -5.1702 -5.1699 -5.1510 -5.1496 -0.5978 -0.5964 -0.5750 -0.5665 -0.0507 -0.0428 0.0069 0.0091 1.4798 1.4976 1.5323 1.5409 3.5556 3.6170 3.7646 3.7724 4.7747 4.7992 4.9408 4.9791 k = 0.1012 0.5000 0.1717 ( 7258 PWs) bands (ev): -19.7186 -19.7177 -19.7171 -19.7163 -19.6862 -19.6850 -19.6850 -19.6842 -18.6906 -18.6904 -18.6891 -18.6881 -18.6628 -18.6607 -18.6587 -18.6561 -18.6483 -18.6469 -18.6445 -18.6431 -10.2318 -10.2312 -10.2178 -10.2171 -5.1531 -5.1528 -5.1309 -5.1294 -0.6497 -0.6463 -0.6217 -0.6107 -0.1000 -0.0937 -0.0395 -0.0378 1.4290 1.4437 1.4876 1.4940 3.5714 3.6285 3.7861 3.7913 4.8333 4.8564 4.9766 5.0130 k = 0.1138 0.5000 0.1717 ( 7264 PWs) bands (ev): -19.7187 -19.7177 -19.7171 -19.7163 -19.6862 -19.6850 -19.6849 -19.6841 -18.6908 -18.6905 -18.6892 -18.6880 -18.6629 -18.6606 -18.6589 -18.6560 -18.6483 -18.6467 -18.6446 -18.6431 -10.2233 -10.2226 -10.2075 -10.2067 -5.1336 -5.1333 -5.1083 -5.1067 -0.7151 -0.7097 -0.6815 -0.6679 -0.1390 -0.1346 -0.0763 -0.0753 1.3637 1.3751 1.4278 1.4325 3.6010 3.6538 3.8194 3.8229 4.8969 4.9191 5.0158 5.0511 k = 0.1265 0.5000 0.1717 ( 7272 PWs) bands (ev): -19.7188 -19.7178 -19.7170 -19.7162 -19.6863 -19.6851 -19.6848 -19.6840 -18.6910 -18.6907 -18.6892 -18.6879 -18.6630 -18.6604 -18.6591 -18.6559 -18.6483 -18.6466 -18.6447 -18.6430 -10.2138 -10.2131 -10.1962 -10.1953 -5.1117 -5.1114 -5.0832 -5.0815 -0.7929 -0.7856 -0.7536 -0.7376 -0.1680 -0.1652 -0.1031 -0.1029 1.2853 1.2934 1.3544 1.3577 3.6425 3.6911 3.8631 3.8657 4.9653 4.9869 5.0594 5.0943 k = 0.1391 0.5000 0.1717 ( 7270 PWs) bands (ev): -19.7189 -19.7179 -19.7170 -19.7162 -19.6863 -19.6851 -19.6847 -19.6840 -18.6913 -18.6908 -18.6892 -18.6879 -18.6630 -18.6602 -18.6593 -18.6558 -18.6483 -18.6464 -18.6448 -18.6429 -10.2034 -10.2026 -10.1840 -10.1830 -5.0875 -5.0873 -5.0557 -5.0538 -0.8806 -0.8718 -0.8358 -0.8177 -0.1885 -0.1872 -0.1216 -0.1209 1.1955 1.2005 1.2694 1.2717 3.6935 3.7382 3.9157 3.9178 5.0383 5.0593 5.1081 5.1433 k = 0.1518 0.5000 0.1717 ( 7276 PWs) bands (ev): -19.7190 -19.7180 -19.7169 -19.7162 -19.6863 -19.6851 -19.6846 -19.6839 -18.6915 -18.6909 -18.6893 -18.6879 -18.6631 -18.6600 -18.6595 -18.6557 -18.6483 -18.6462 -18.6448 -18.6428 -10.1922 -10.1913 -10.1709 -10.1699 -5.0611 -5.0608 -5.0257 -5.0237 -0.9754 -0.9656 -0.9256 -0.9058 -0.2026 -0.2026 -0.1331 -0.1317 1.0964 1.0987 1.1752 1.1765 3.7515 3.7928 3.9750 3.9770 5.1155 5.1360 5.1624 5.1984 k = 0.1644 0.5000 0.1717 ( 7278 PWs) bands (ev): -19.7191 -19.7181 -19.7169 -19.7162 -19.6864 -19.6852 -19.6845 -19.6838 -18.6917 -18.6911 -18.6894 -18.6879 -18.6631 -18.6598 -18.6597 -18.6556 -18.6482 -18.6460 -18.6449 -18.6428 -10.1802 -10.1793 -10.1570 -10.1559 -5.0324 -5.0320 -4.9932 -4.9912 -1.0750 -1.0645 -1.0207 -0.9995 -0.2137 -0.2124 -0.1395 -0.1372 0.9901 0.9902 1.0741 1.0745 3.8144 3.8528 4.0391 4.0411 5.1961 5.2160 5.2228 5.2601 k = 0.1771 0.5000 0.1717 ( 7278 PWs) bands (ev): -19.7192 -19.7182 -19.7168 -19.7161 -19.6864 -19.6852 -19.6844 -19.6838 -18.6919 -18.6912 -18.6895 -18.6879 -18.6632 -18.6598 -18.6596 -18.6555 -18.6482 -18.6458 -18.6450 -18.6427 -10.1675 -10.1665 -10.1423 -10.1412 -5.0015 -5.0011 -4.9584 -4.9563 -1.1776 -1.1666 -1.1190 -1.0967 -0.2223 -0.2196 -0.1424 -0.1392 0.8773 0.8788 0.9678 0.9683 3.8803 3.9163 4.1062 4.1082 5.2764 5.2921 5.2976 5.3290 k = 0.1897 0.5000 0.1717 ( 7268 PWs) bands (ev): -19.7193 -19.7183 -19.7168 -19.7161 -19.6864 -19.6852 -19.6844 -19.6837 -18.6921 -18.6914 -18.6896 -18.6880 -18.6632 -18.6600 -18.6594 -18.6555 -18.6481 -18.6456 -18.6451 -18.6426 -10.1542 -10.1531 -10.1270 -10.1259 -4.9685 -4.9680 -4.9212 -4.9190 -1.2818 -1.2704 -1.2192 -1.1959 -0.2299 -0.2258 -0.1436 -0.1392 0.7618 0.7643 0.8585 0.8602 3.9478 3.9820 4.1749 4.1768 5.3503 5.3748 5.3782 5.4062 k = 0.2024 0.5000 0.1717 ( 7258 PWs) bands (ev): -19.7193 -19.7184 -19.7168 -19.7162 -19.6864 -19.6853 -19.6843 -19.6836 -18.6924 -18.6915 -18.6897 -18.6881 -18.6632 -18.6602 -18.6592 -18.6554 -18.6480 -18.6454 -18.6452 -18.6425 -10.1402 -10.1391 -10.1111 -10.1099 -4.9334 -4.9328 -4.8817 -4.8794 -1.3863 -1.3748 -1.3200 -1.2959 -0.2384 -0.2326 -0.1447 -0.1386 0.6462 0.6488 0.7488 0.7519 4.0161 4.0487 4.2441 4.2458 5.4237 5.4573 5.4633 5.4905 k = 0.2150 0.5000 0.1717 ( 7254 PWs) bands (ev): -19.7194 -19.7185 -19.7168 -19.7162 -19.6864 -19.6853 -19.6842 -19.6836 -18.6926 -18.6917 -18.6899 -18.6882 -18.6632 -18.6603 -18.6590 -18.6553 -18.6480 -18.6452 -18.6452 -18.6424 -10.1258 -10.1247 -10.0947 -10.0935 -4.8963 -4.8957 -4.8399 -4.8375 -1.4905 -1.4789 -1.4205 -1.3958 -0.2493 -0.2417 -0.1477 -0.1395 0.5328 0.5346 0.6410 0.6459 4.0843 4.1158 4.3130 4.3144 5.4988 5.5364 5.5531 5.5780 k = 0.2277 0.5000 0.1717 ( 7254 PWs) bands (ev): -19.7195 -19.7185 -19.7168 -19.7162 -19.6864 -19.6853 -19.6841 -19.6835 -18.6928 -18.6919 -18.6901 -18.6883 -18.6632 -18.6605 -18.6587 -18.6552 -18.6479 -18.6453 -18.6450 -18.6423 -10.1110 -10.1099 -10.0779 -10.0766 -4.8573 -4.8565 -4.7958 -4.7934 -1.5937 -1.5821 -1.5200 -1.4948 -0.2650 -0.2552 -0.1557 -0.1443 0.4248 0.4252 0.5376 0.5449 4.1521 4.1828 4.3812 4.3821 5.5747 5.6160 5.6423 5.6656 k = 0.2403 0.5000 0.1717 ( 7256 PWs) bands (ev): -19.7195 -19.7186 -19.7168 -19.7162 -19.6864 -19.6853 -19.6840 -19.6835 -18.6931 -18.6920 -18.6903 -18.6885 -18.6632 -18.6606 -18.6585 -18.6551 -18.6477 -18.6453 -18.6448 -18.6422 -10.0959 -10.0947 -10.0607 -10.0595 -4.8165 -4.8156 -4.7495 -4.7471 -1.6954 -1.6838 -1.6181 -1.5923 -0.2880 -0.2757 -0.1729 -0.1572 0.3239 0.3280 0.4417 0.4519 4.2192 4.2494 4.4484 4.4487 5.6502 5.6951 5.7294 5.7511 k = 0.2530 0.5000 0.1717 ( 7260 PWs) bands (ev): -19.7196 -19.7187 -19.7168 -19.7163 -19.6864 -19.6854 -19.6839 -19.6834 -18.6933 -18.6922 -18.6905 -18.6887 -18.6631 -18.6607 -18.6582 -18.6550 -18.6476 -18.6454 -18.6445 -18.6421 -10.0806 -10.0794 -10.0433 -10.0420 -4.7740 -4.7729 -4.7011 -4.6986 -1.7952 -1.7837 -1.7141 -1.6879 -0.3211 -0.3063 -0.2052 -0.1843 0.2384 0.2475 0.3570 0.3703 4.2854 4.3153 4.5140 4.5145 5.7237 5.7726 5.8126 5.8329 k = 0.2656 0.5000 0.1717 ( 7250 PWs) bands (ev): -19.7196 -19.7188 -19.7168 -19.7163 -19.6864 -19.6854 -19.6838 -19.6833 -18.6935 -18.6924 -18.6907 -18.6889 -18.6631 -18.6608 -18.6580 -18.6550 -18.6475 -18.6454 -18.6443 -18.6420 -10.0651 -10.0639 -10.0258 -10.0245 -4.7299 -4.7286 -4.6506 -4.6481 -1.8927 -1.8814 -1.8076 -1.7811 -0.3667 -0.3498 -0.2576 -0.2320 0.1751 0.1893 0.2866 0.3031 4.3507 4.3807 4.5782 4.5796 5.7938 5.8469 5.8906 5.9092 k = 0.2783 0.5000 0.1717 ( 7256 PWs) bands (ev): -19.7197 -19.7188 -19.7168 -19.7164 -19.6864 -19.6854 -19.6837 -19.6833 -18.6937 -18.6926 -18.6910 -18.6891 -18.6631 -18.6609 -18.6577 -18.6549 -18.6474 -18.6454 -18.6441 -18.6419 -10.0497 -10.0485 -10.0082 -10.0069 -4.6843 -4.6828 -4.5981 -4.5956 -1.9877 -1.9765 -1.8985 -1.8717 -0.4260 -0.4079 -0.3303 -0.3022 0.1360 0.1536 0.2325 0.2517 4.4151 4.4453 4.6412 4.6437 5.8592 5.9166 5.9616 5.9787 k = 0.2909 0.5000 0.1717 ( 7250 PWs) bands (ev): -19.7197 -19.7189 -19.7169 -19.7165 -19.6863 -19.6854 -19.6837 -19.6832 -18.6940 -18.6927 -18.6912 -18.6894 -18.6630 -18.6610 -18.6575 -18.6548 -18.6472 -18.6455 -18.6438 -18.6417 -10.0343 -10.0332 -9.9907 -9.9894 -4.6375 -4.6357 -4.5437 -4.5412 -2.0799 -2.0690 -1.9863 -1.9593 -0.4979 -0.4797 -0.4179 -0.3897 0.1162 0.1353 0.1947 0.2156 4.4785 4.5092 4.7031 4.7069 5.9187 5.9804 6.0244 6.0401 k = 0.3036 0.5000 0.1717 ( 7246 PWs) bands (ev): -19.7198 -19.7190 -19.7169 -19.7165 -19.6863 -19.6854 -19.6836 -19.6832 -18.6942 -18.6929 -18.6915 -18.6896 -18.6629 -18.6611 -18.6572 -18.6547 -18.6471 -18.6455 -18.6436 -18.6416 -10.0192 -10.0180 -9.9734 -9.9721 -4.5896 -4.5875 -4.4876 -4.4851 -2.1693 -2.1586 -2.0709 -2.0437 -0.5797 -0.5628 -0.5140 -0.4871 0.1085 0.1280 0.1710 0.1928 4.5410 4.5722 4.7641 4.7692 5.9714 6.0371 6.0780 6.0925 k = 0.3162 0.5000 0.1717 ( 7246 PWs) bands (ev): -19.7198 -19.7190 -19.7169 -19.7166 -19.6863 -19.6855 -19.6835 -19.6831 -18.6944 -18.6931 -18.6917 -18.6899 -18.6629 -18.6612 -18.6570 -18.6547 -18.6469 -18.6455 -18.6433 -18.6415 -10.0044 -10.0032 -9.9563 -9.9551 -4.5408 -4.5385 -4.4298 -4.4274 -2.2555 -2.2452 -2.1519 -2.1247 -0.6682 -0.6533 -0.6138 -0.5890 0.1076 0.1262 0.1591 0.1803 4.6024 4.6345 4.8241 4.8309 6.0168 6.0856 6.1216 6.1359 k = 0.3289 0.5000 0.1717 ( 7240 PWs) bands (ev): -19.7198 -19.7191 -19.7170 -19.7167 -19.6863 -19.6855 -19.6834 -19.6831 -18.6946 -18.6933 -18.6919 -18.6902 -18.6628 -18.6613 -18.6567 -18.6546 -18.6468 -18.6455 -18.6431 -18.6414 -9.9899 -9.9888 -9.9397 -9.9385 -4.4914 -4.4888 -4.3705 -4.3682 -2.3386 -2.3285 -2.2293 -2.2022 -0.7604 -0.7480 -0.7142 -0.6919 0.1103 0.1265 0.1568 0.1756 4.6628 4.6957 4.8832 4.8918 6.0548 6.1246 6.1550 6.1709 k = 0.3415 0.5000 0.1717 ( 7230 PWs) bands (ev): -19.7199 -19.7192 -19.7170 -19.7168 -19.6862 -19.6855 -19.6834 -19.6830 -18.6948 -18.6935 -18.6922 -18.6904 -18.6627 -18.6613 -18.6565 -18.6545 -18.6467 -18.6455 -18.6429 -18.6413 -9.9760 -9.9750 -9.9236 -9.9224 -4.4417 -4.4387 -4.3100 -4.3078 -2.4183 -2.4087 -2.3028 -2.2759 -0.8538 -0.8439 -0.8134 -0.7935 0.1149 0.1276 0.1612 0.1765 4.7218 4.7558 4.9414 4.9519 6.0857 6.1527 6.1785 6.1994 k = 0.3542 0.5000 0.1717 ( 7234 PWs) bands (ev): -19.7199 -19.7192 -19.7171 -19.7169 -19.6862 -19.6855 -19.6833 -19.6830 -18.6949 -18.6937 -18.6924 -18.6907 -18.6626 -18.6614 -18.6562 -18.6545 -18.6465 -18.6455 -18.6427 -18.6412 -9.9628 -9.9618 -9.9081 -9.9070 -4.3920 -4.3887 -4.2484 -4.2463 -2.4948 -2.4855 -2.3723 -2.3458 -0.9463 -0.9385 -0.9102 -0.8924 0.1204 0.1298 0.1693 0.1812 4.7794 4.8145 4.9985 5.0112 6.1101 6.1693 6.1930 6.2234 k = 0.3668 0.5000 0.1717 ( 7228 PWs) bands (ev): -19.7199 -19.7193 -19.7171 -19.7169 -19.6862 -19.6855 -19.6832 -19.6829 -18.6951 -18.6939 -18.6926 -18.6910 -18.6626 -18.6614 -18.6560 -18.6544 -18.6464 -18.6455 -18.6424 -18.6411 -9.9503 -9.9493 -9.8934 -9.8923 -4.3427 -4.3391 -4.1861 -4.1841 -2.5677 -2.5590 -2.4376 -2.4118 -1.0365 -1.0302 -1.0037 -0.9875 0.1263 0.1332 0.1792 0.1884 4.8352 4.8713 5.0544 5.0694 6.1286 6.1754 6.1999 6.2437 k = 0.3795 0.5000 0.1717 ( 7220 PWs) bands (ev): -19.7199 -19.7193 -19.7172 -19.7170 -19.6861 -19.6856 -19.6832 -19.6829 -18.6952 -18.6941 -18.6928 -18.6913 -18.6625 -18.6615 -18.6558 -18.6544 -18.6462 -18.6455 -18.6422 -18.6410 -9.9386 -9.9377 -9.8794 -9.8785 -4.2942 -4.2904 -4.1234 -4.1216 -2.6372 -2.6289 -2.4987 -2.4737 -1.1230 -1.1175 -1.0928 -1.0776 0.1323 0.1373 0.1899 0.1970 4.8890 4.9259 5.1090 5.1263 6.1418 6.1731 6.2011 6.2607 k = 0.3921 0.5000 0.1717 ( 7212 PWs) bands (ev): -19.7199 -19.7194 -19.7172 -19.7171 -19.6861 -19.6856 -19.6831 -19.6829 -18.6954 -18.6943 -18.6929 -18.6915 -18.6624 -18.6615 -18.6556 -18.6544 -18.6461 -18.6455 -18.6420 -18.6410 -9.9278 -9.9270 -9.8665 -9.8656 -4.2472 -4.2432 -4.0608 -4.0592 -2.7031 -2.6953 -2.5553 -2.5315 -1.2048 -1.1994 -1.1767 -1.1620 0.1381 0.1418 0.2008 0.2062 4.9403 4.9775 5.1620 5.1815 6.1494 6.1645 6.1995 6.2751 k = 0.4048 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7199 -19.7194 -19.7173 -19.7172 -19.6861 -19.6856 -19.6831 -19.6829 -18.6955 -18.6945 -18.6930 -18.6918 -18.6623 -18.6616 -18.6554 -18.6543 -18.6460 -18.6454 -18.6418 -18.6409 -9.9181 -9.9174 -9.8546 -9.8538 -4.2021 -4.1980 -3.9989 -3.9976 -2.7651 -2.7580 -2.6074 -2.5850 -1.2809 -1.2752 -1.2541 -1.2397 0.1437 0.1463 0.2114 0.2156 4.9886 5.0255 5.2131 5.2346 6.1500 6.1516 6.1996 6.2876 k = 0.4174 0.5000 0.1717 ( 7224 PWs) bands (ev): -19.7199 -19.7195 -19.7173 -19.7172 -19.6860 -19.6856 -19.6830 -19.6828 -18.6955 -18.6947 -18.6931 -18.6920 -18.6623 -18.6616 -18.6552 -18.6543 -18.6459 -18.6454 -18.6417 -18.6409 -9.9095 -9.9089 -9.8438 -9.8431 -4.1596 -4.1556 -3.9385 -3.9374 -2.8231 -2.8167 -2.6546 -2.6342 -1.3503 -1.3443 -1.3239 -1.3098 0.1487 0.1506 0.2214 0.2247 5.0333 5.0689 5.2620 5.2849 6.1359 6.1429 6.2044 6.2992 k = 0.4301 0.5000 0.1717 ( 7230 PWs) bands (ev): -19.7198 -19.7195 -19.7174 -19.7173 -19.6860 -19.6856 -19.6830 -19.6828 -18.6956 -18.6949 -18.6932 -18.6922 -18.6622 -18.6617 -18.6551 -18.6543 -18.6458 -18.6454 -18.6415 -18.6408 -9.9021 -9.9016 -9.8343 -9.8337 -4.1206 -4.1167 -3.8807 -3.8798 -2.8764 -2.8707 -2.6968 -2.6787 -1.4125 -1.4063 -1.3846 -1.3714 0.1531 0.1545 0.2307 0.2332 5.0737 5.1069 5.3084 5.3315 6.1190 6.1305 6.2139 6.3106 k = 0.4427 0.5000 0.1717 ( 7224 PWs) bands (ev): -19.7198 -19.7195 -19.7174 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6956 -18.6950 -18.6932 -18.6925 -18.6621 -18.6617 -18.6549 -18.6543 -18.6457 -18.6454 -18.6414 -18.6408 -9.8960 -9.8956 -9.8260 -9.8256 -4.0858 -4.0823 -3.8267 -3.8262 -2.9242 -2.9194 -2.7337 -2.7184 -1.4665 -1.4609 -1.4351 -1.4237 0.1566 0.1576 0.2390 0.2409 5.1093 5.1384 5.3515 5.3736 6.1026 6.1158 6.2272 6.3221 k = 0.4554 0.5000 0.1717 ( 7222 PWs) bands (ev): -19.7198 -19.7196 -19.7174 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6957 -18.6952 -18.6932 -18.6927 -18.6620 -18.6617 -18.6548 -18.6543 -18.6456 -18.6454 -18.6412 -18.6408 -9.8912 -9.8909 -9.8192 -9.8188 -4.0562 -4.0533 -3.7787 -3.7784 -2.9651 -2.9613 -2.7649 -2.7529 -1.5116 -1.5071 -1.4749 -1.4659 0.1593 0.1599 0.2462 0.2475 5.1391 5.1627 5.3904 5.4097 6.0880 6.1008 6.2441 6.3326 k = 0.4680 0.5000 0.1717 ( 7220 PWs) bands (ev): -19.7198 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6957 -18.6953 -18.6932 -18.6928 -18.6620 -18.6618 -18.6547 -18.6544 -18.6456 -18.6454 -18.6411 -18.6408 -9.8877 -9.8875 -9.8137 -9.8135 -4.0325 -4.0304 -3.7389 -3.7388 -2.9972 -2.9946 -2.7899 -2.7816 -1.5472 -1.5441 -1.5035 -1.4973 0.1609 0.1613 0.2522 0.2531 5.1626 5.1792 5.4242 5.4387 6.0768 6.0871 6.2640 6.3375 k = 0.4807 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6955 -18.6932 -18.6930 -18.6619 -18.6618 -18.6545 -18.6544 -18.6455 -18.6454 -18.6410 -18.6409 -9.8857 -9.8856 -9.8097 -9.8096 -4.0158 -4.0147 -3.7103 -3.7103 -3.0183 -3.0169 -2.8083 -2.8041 -1.5728 -1.5712 -1.5207 -1.5176 0.1614 0.1616 0.2570 0.2574 5.1789 5.1875 5.4511 5.4590 6.0704 6.0762 6.2860 6.3287 k = 0.4933 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1876 5.1876 5.4698 5.4698 6.0696 6.0696 6.3077 6.3077 k = 0.4933 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1876 5.1876 5.4698 5.4698 6.0696 6.0696 6.3077 6.3077 k = 0.4844 0.4910 0.1717 ( 7220 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6955 -18.6955 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8847 -9.8847 -9.8113 -9.8113 -4.0174 -4.0174 -3.7129 -3.7129 -3.0231 -3.0231 -2.7961 -2.7961 -1.5636 -1.5636 -1.5223 -1.5223 0.1638 0.1638 0.2543 0.2543 5.1867 5.1867 5.4465 5.4465 6.0721 6.0721 6.3124 6.3124 k = 0.4754 0.4819 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6828 -19.6828 -18.6955 -18.6955 -18.6930 -18.6930 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6410 -18.6410 -9.8841 -9.8841 -9.8185 -9.8185 -4.0357 -4.0357 -3.7434 -3.7434 -3.0178 -3.0178 -2.7547 -2.7547 -1.5302 -1.5302 -1.5058 -1.5058 0.1689 0.1689 0.2434 0.2434 5.1844 5.1844 5.4071 5.4071 6.0766 6.0766 6.3202 6.3202 k = 0.4664 0.4728 0.1717 ( 7220 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6828 -19.6828 -18.6954 -18.6954 -18.6929 -18.6929 -18.6619 -18.6619 -18.6546 -18.6546 -18.6455 -18.6455 -18.6410 -18.6410 -9.8831 -9.8831 -9.8290 -9.8290 -4.0597 -4.0597 -3.7851 -3.7851 -3.0101 -3.0101 -2.6974 -2.6974 -1.5161 -1.5161 -1.4503 -1.4503 0.1761 0.1761 0.2281 0.2281 5.1787 5.1787 5.3562 5.3562 6.0832 6.0832 6.3297 6.3297 k = 0.4575 0.4637 0.1717 ( 7220 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6829 -19.6829 -18.6953 -18.6953 -18.6928 -18.6928 -18.6619 -18.6619 -18.6546 -18.6546 -18.6456 -18.6456 -18.6411 -18.6411 -9.8820 -9.8820 -9.8426 -9.8426 -4.0875 -4.0875 -3.8360 -3.8360 -3.0002 -3.0002 -2.6261 -2.6261 -1.5055 -1.5055 -1.3736 -1.3736 0.1840 0.1840 0.2102 0.2102 5.1633 5.1633 5.3031 5.3031 6.0918 6.0918 6.3381 6.3381 k = 0.4485 0.4546 0.1717 ( 7222 PWs) bands (ev): -19.7197 -19.7197 -19.7174 -19.7174 -19.6858 -19.6858 -19.6829 -19.6829 -18.6952 -18.6952 -18.6927 -18.6927 -18.6619 -18.6619 -18.6547 -18.6547 -18.6457 -18.6457 -18.6412 -18.6412 -9.8806 -9.8806 -9.8592 -9.8592 -4.1172 -4.1172 -3.8941 -3.8941 -2.9879 -2.9879 -2.5430 -2.5430 -1.4935 -1.4935 -1.2829 -1.2829 0.1771 0.1771 0.2053 0.2053 5.1246 5.1246 5.2645 5.2645 6.1025 6.1025 6.3433 6.3433 k = 0.4395 0.4455 0.1717 ( 7224 PWs) bands (ev): -19.7196 -19.7196 -19.7173 -19.7173 -19.6858 -19.6858 -19.6829 -19.6829 -18.6951 -18.6951 -18.6925 -18.6925 -18.6619 -18.6619 -18.6548 -18.6548 -18.6457 -18.6457 -18.6412 -18.6412 -9.8804 -9.8804 -9.8774 -9.8774 -4.1474 -4.1474 -3.9574 -3.9574 -2.9733 -2.9733 -2.4497 -2.4497 -1.4796 -1.4796 -1.1809 -1.1809 0.1510 0.1510 0.2184 0.2184 5.0568 5.0568 5.2484 5.2484 6.1150 6.1150 6.3447 6.3447 k = 0.4306 0.4364 0.1717 ( 7224 PWs) bands (ev): -19.7196 -19.7196 -19.7173 -19.7173 -19.6858 -19.6858 -19.6830 -19.6830 -18.6950 -18.6950 -18.6923 -18.6923 -18.6618 -18.6618 -18.6549 -18.6549 -18.6458 -18.6458 -18.6413 -18.6413 -9.9014 -9.9014 -9.8769 -9.8769 -4.1768 -4.1768 -4.0243 -4.0243 -2.9565 -2.9565 -2.3477 -2.3477 -1.4635 -1.4635 -1.0699 -1.0699 0.1195 0.1195 0.2364 0.2364 4.9713 4.9713 5.2454 5.2454 6.1293 6.1293 6.3428 6.3428 k = 0.4216 0.4273 0.1717 ( 7202 PWs) bands (ev): -19.7196 -19.7196 -19.7172 -19.7172 -19.6858 -19.6858 -19.6830 -19.6830 -18.6948 -18.6948 -18.6922 -18.6922 -18.6618 -18.6618 -18.6551 -18.6551 -18.6459 -18.6459 -18.6414 -18.6414 -9.9265 -9.9265 -9.8750 -9.8750 -4.2045 -4.2045 -4.0932 -4.0932 -2.9374 -2.9374 -2.2385 -2.2385 -1.4453 -1.4453 -0.9516 -0.9516 0.0846 0.0846 0.2579 0.2579 4.8769 4.8769 5.2485 5.2485 6.1452 6.1452 6.3383 6.3383 k = 0.4126 0.4182 0.1717 ( 7208 PWs) bands (ev): -19.7195 -19.7195 -19.7172 -19.7172 -19.6858 -19.6858 -19.6831 -19.6831 -18.6946 -18.6946 -18.6919 -18.6919 -18.6618 -18.6618 -18.6552 -18.6552 -18.6461 -18.6461 -18.6416 -18.6416 -9.9541 -9.9541 -9.8728 -9.8728 -4.2298 -4.2298 -4.1629 -4.1629 -2.9161 -2.9161 -2.1230 -2.1230 -1.4251 -1.4251 -0.8281 -0.8281 0.0471 0.0471 0.2830 0.2830 4.7775 4.7775 5.2549 5.2549 6.1624 6.1624 6.3319 6.3319 k = 0.4036 0.4091 0.1717 ( 7216 PWs) bands (ev): -19.7195 -19.7195 -19.7171 -19.7171 -19.6858 -19.6858 -19.6831 -19.6831 -18.6944 -18.6944 -18.6917 -18.6917 -18.6618 -18.6618 -18.6554 -18.6554 -18.6462 -18.6462 -18.6417 -18.6417 -9.9841 -9.9841 -9.8706 -9.8706 -4.2524 -4.2524 -4.2322 -4.2322 -2.8926 -2.8926 -2.0024 -2.0024 -1.4026 -1.4026 -0.7011 -0.7011 0.0078 0.0078 0.3124 0.3124 4.6751 4.6751 5.2637 5.2637 6.1805 6.1805 6.3239 6.3239 k = 0.3947 0.4000 0.1717 ( 7216 PWs) bands (ev): -19.7195 -19.7195 -19.7171 -19.7171 -19.6858 -19.6858 -19.6832 -19.6832 -18.6942 -18.6942 -18.6915 -18.6915 -18.6618 -18.6618 -18.6555 -18.6555 -18.6463 -18.6463 -18.6418 -18.6418 -10.0164 -10.0164 -9.8683 -9.8683 -4.3021 -4.3021 -4.2700 -4.2700 -2.8670 -2.8670 -1.8779 -1.8779 -1.3781 -1.3781 -0.5727 -0.5727 -0.0324 -0.0324 0.3467 0.3467 4.5711 4.5711 5.2741 5.2741 6.1983 6.1983 6.3147 6.3147 k = 0.3857 0.3909 0.1717 ( 7208 PWs) bands (ev): -19.7194 -19.7194 -19.7170 -19.7170 -19.6858 -19.6858 -19.6832 -19.6832 -18.6940 -18.6940 -18.6913 -18.6913 -18.6618 -18.6618 -18.6557 -18.6557 -18.6465 -18.6465 -18.6419 -18.6419 -10.0506 -10.0506 -9.8660 -9.8660 -4.3691 -4.3691 -4.2853 -4.2853 -2.8392 -2.8392 -1.7505 -1.7505 -1.3514 -1.3514 -0.4457 -0.4457 -0.0721 -0.0721 0.3870 0.3870 4.4666 4.4666 5.2858 5.2858 6.2129 6.2129 6.3060 6.3060 k = 0.3767 0.3819 0.1717 ( 7220 PWs) bands (ev): -19.7194 -19.7194 -19.7169 -19.7169 -19.6858 -19.6858 -19.6833 -19.6833 -18.6938 -18.6938 -18.6910 -18.6910 -18.6617 -18.6617 -18.6559 -18.6559 -18.6466 -18.6466 -18.6421 -18.6421 -10.0868 -10.0868 -9.8637 -9.8637 -4.4341 -4.4341 -4.2964 -4.2964 -2.8093 -2.8093 -1.6220 -1.6220 -1.3222 -1.3222 -0.3243 -0.3243 -0.1082 -0.1082 0.4350 0.4350 4.3624 4.3624 5.2983 5.2983 6.2170 6.2170 6.3023 6.3023 k = 0.3678 0.3728 0.1717 ( 7216 PWs) bands (ev): -19.7194 -19.7194 -19.7169 -19.7169 -19.6858 -19.6858 -19.6834 -19.6834 -18.6936 -18.6936 -18.6908 -18.6908 -18.6617 -18.6617 -18.6561 -18.6561 -18.6468 -18.6468 -18.6422 -18.6422 -10.1246 -10.1246 -9.8615 -9.8615 -4.4966 -4.4966 -4.3034 -4.3034 -2.7774 -2.7774 -1.4948 -1.4948 -1.2901 -1.2901 -0.2249 -0.2249 -0.1260 -0.1260 0.4925 0.4925 4.2594 4.2594 5.3112 5.3112 6.1993 6.1993 6.3094 6.3094 k = 0.3588 0.3637 0.1717 ( 7216 PWs) bands (ev): -19.7193 -19.7193 -19.7168 -19.7168 -19.6858 -19.6858 -19.6835 -19.6835 -18.6934 -18.6934 -18.6906 -18.6906 -18.6617 -18.6617 -18.6563 -18.6563 -18.6470 -18.6470 -18.6424 -18.6424 -10.1639 -10.1639 -9.8594 -9.8594 -4.5561 -4.5561 -4.3063 -4.3063 -2.7434 -2.7434 -1.3736 -1.3736 -1.2527 -1.2527 -0.2066 -0.2066 -0.0670 -0.0670 0.5617 0.5617 4.1584 4.1584 5.3239 5.3239 6.1546 6.1546 6.3228 6.3228 k = 0.3498 0.3546 0.1717 ( 7236 PWs) bands (ev): -19.7193 -19.7193 -19.7168 -19.7168 -19.6859 -19.6859 -19.6836 -19.6836 -18.6931 -18.6931 -18.6903 -18.6903 -18.6617 -18.6617 -18.6565 -18.6565 -18.6471 -18.6471 -18.6425 -18.6425 -10.2046 -10.2046 -9.8574 -9.8574 -4.6123 -4.6123 -4.3050 -4.3050 -2.7075 -2.7075 -1.2733 -1.2733 -1.1992 -1.1992 -0.2230 -0.2230 0.0232 0.0232 0.6441 0.6441 4.0605 4.0605 5.3358 5.3358 6.0829 6.0829 6.3258 6.3258 k = 0.3409 0.3455 0.1717 ( 7238 PWs) bands (ev): -19.7192 -19.7192 -19.7168 -19.7168 -19.6859 -19.6859 -19.6836 -19.6836 -18.6929 -18.6929 -18.6901 -18.6901 -18.6617 -18.6617 -18.6567 -18.6567 -18.6473 -18.6473 -18.6427 -18.6427 -10.2463 -10.2463 -9.8557 -9.8557 -4.6650 -4.6650 -4.2995 -4.2995 -2.6697 -2.6697 -1.2131 -1.2131 -1.1157 -1.1157 -0.2312 -0.2312 0.1060 0.1060 0.7393 0.7393 3.9666 3.9666 5.3457 5.3457 5.9893 5.9893 6.3076 6.3076 k = 0.3319 0.3364 0.1717 ( 7244 PWs) bands (ev): -19.7192 -19.7192 -19.7167 -19.7167 -19.6859 -19.6859 -19.6837 -19.6837 -18.6926 -18.6926 -18.6899 -18.6899 -18.6616 -18.6616 -18.6569 -18.6569 -18.6475 -18.6475 -18.6428 -18.6428 -10.2889 -10.2889 -9.8541 -9.8541 -4.7138 -4.7138 -4.2899 -4.2899 -2.6301 -2.6301 -1.1700 -1.1700 -1.0328 -1.0328 -0.2199 -0.2199 0.1776 0.1776 0.8452 0.8452 3.8782 3.8782 5.3525 5.3525 5.8812 5.8812 6.2847 6.2847 k = 0.3229 0.3273 0.1717 ( 7238 PWs) bands (ev): -19.7192 -19.7192 -19.7167 -19.7167 -19.6859 -19.6859 -19.6838 -19.6838 -18.6924 -18.6924 -18.6897 -18.6897 -18.6616 -18.6616 -18.6571 -18.6571 -18.6477 -18.6477 -18.6430 -18.6430 -10.3323 -10.3323 -9.8529 -9.8529 -4.7587 -4.7587 -4.2760 -4.2760 -2.5886 -2.5886 -1.1295 -1.1295 -0.9725 -0.9725 -0.1808 -0.1808 0.2390 0.2390 0.9579 0.9579 3.7969 3.7969 5.3545 5.3545 5.7645 5.7645 6.2606 6.2606 k = 0.3139 0.3182 0.1717 ( 7242 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6839 -19.6839 -18.6922 -18.6922 -18.6895 -18.6895 -18.6616 -18.6616 -18.6573 -18.6573 -18.6479 -18.6479 -18.6431 -18.6431 -10.3763 -10.3763 -9.8520 -9.8520 -4.7995 -4.7995 -4.2581 -4.2581 -2.5455 -2.5455 -1.0890 -1.0890 -0.9409 -0.9409 -0.1107 -0.1107 0.2922 0.2922 1.0726 1.0726 3.7248 3.7248 5.3492 5.3492 5.6433 5.6433 6.2315 6.2315 k = 0.3050 0.3091 0.1717 ( 7250 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6840 -19.6840 -18.6920 -18.6920 -18.6894 -18.6894 -18.6616 -18.6616 -18.6575 -18.6575 -18.6481 -18.6481 -18.6433 -18.6433 -10.4206 -10.4206 -9.8514 -9.8514 -4.8360 -4.8360 -4.2361 -4.2361 -2.5007 -2.5007 -1.0483 -1.0483 -0.9351 -0.9351 -0.0129 -0.0129 0.3390 0.3390 1.1845 1.1845 3.6641 3.6641 5.3336 5.3336 5.5207 5.5207 6.1898 6.1898 k = 0.2960 0.3000 0.1717 ( 7244 PWs) bands (ev): -19.7191 -19.7191 -19.7167 -19.7167 -19.6860 -19.6860 -19.6841 -19.6841 -18.6918 -18.6918 -18.6892 -18.6892 -18.6617 -18.6617 -18.6577 -18.6577 -18.6483 -18.6483 -18.6434 -18.6434 -10.4651 -10.4651 -9.8512 -9.8512 -4.8681 -4.8681 -4.2100 -4.2100 -2.4544 -2.4544 -1.0090 -1.0090 -0.9466 -0.9466 0.1052 0.1052 0.3805 0.3805 1.2889 1.2889 3.6178 3.6178 5.3024 5.3024 5.4009 5.4009 6.1344 6.1344 k = 0.2870 0.2909 0.1717 ( 7244 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6861 -19.6861 -19.6842 -19.6842 -18.6916 -18.6916 -18.6891 -18.6891 -18.6617 -18.6617 -18.6578 -18.6578 -18.6484 -18.6484 -18.6436 -18.6436 -10.5098 -10.5098 -9.8514 -9.8514 -4.8958 -4.8958 -4.1801 -4.1801 -2.4066 -2.4066 -0.9930 -0.9930 -0.9471 -0.9471 0.2363 0.2363 0.4177 0.4177 1.3814 1.3814 3.5886 3.5886 5.2411 5.2411 5.2980 5.2980 6.0775 6.0775 k = 0.2781 0.2818 0.1717 ( 7248 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6861 -19.6861 -19.6843 -19.6843 -18.6914 -18.6914 -18.6890 -18.6890 -18.6618 -18.6618 -18.6580 -18.6580 -18.6486 -18.6486 -18.6437 -18.6437 -10.5543 -10.5543 -9.8521 -9.8521 -4.9190 -4.9190 -4.1464 -4.1464 -2.3575 -2.3575 -1.0221 -1.0221 -0.9100 -0.9100 0.3737 0.3737 0.4516 0.4516 1.4581 1.4581 3.5791 3.5791 5.1392 5.1392 5.2236 5.2236 6.0293 6.0293 k = 0.2691 0.2728 0.1717 ( 7248 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6862 -19.6862 -19.6844 -19.6844 -18.6913 -18.6913 -18.6889 -18.6889 -18.6619 -18.6619 -18.6581 -18.6581 -18.6488 -18.6488 -18.6438 -18.6438 -10.5986 -10.5986 -9.8532 -9.8532 -4.9376 -4.9376 -4.1088 -4.1088 -2.3071 -2.3071 -1.0625 -1.0625 -0.8659 -0.8659 0.4723 0.4723 0.5232 0.5232 1.5165 1.5165 3.5905 3.5905 5.0296 5.0296 5.1482 5.1482 5.9933 5.9933 k = 0.2601 0.2637 0.1717 ( 7256 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6863 -19.6863 -19.6846 -19.6846 -18.6911 -18.6911 -18.6888 -18.6888 -18.6620 -18.6620 -18.6582 -18.6582 -18.6489 -18.6489 -18.6440 -18.6440 -10.6425 -10.6425 -9.8547 -9.8547 -4.9517 -4.9517 -4.0676 -4.0676 -2.2555 -2.2555 -1.1071 -1.1071 -0.8201 -0.8201 0.4979 0.4979 0.6626 0.6626 1.5555 1.5555 3.6219 3.6219 4.9256 4.9256 5.0655 5.0655 5.9688 5.9688 k = 0.2512 0.2546 0.1717 ( 7260 PWs) bands (ev): -19.7190 -19.7190 -19.7167 -19.7167 -19.6864 -19.6864 -19.6847 -19.6847 -18.6910 -18.6910 -18.6888 -18.6888 -18.6621 -18.6621 -18.6583 -18.6583 -18.6491 -18.6491 -18.6441 -18.6441 -10.6859 -10.6859 -9.8567 -9.8567 -4.9613 -4.9613 -4.0228 -4.0228 -2.2029 -2.2029 -1.1538 -1.1538 -0.7733 -0.7733 0.5145 0.5145 0.8020 0.8020 1.5764 1.5764 3.6695 3.6695 4.8320 4.8320 4.9794 4.9794 5.9535 5.9535 k = 0.2422 0.2455 0.1717 ( 7268 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6864 -19.6864 -19.6848 -19.6848 -18.6909 -18.6909 -18.6887 -18.6887 -18.6622 -18.6622 -18.6584 -18.6584 -18.6492 -18.6492 -18.6442 -18.6442 -10.7286 -10.7286 -9.8591 -9.8591 -4.9664 -4.9664 -3.9746 -3.9746 -2.1494 -2.1494 -1.2015 -1.2015 -0.7258 -0.7258 0.5234 0.5234 0.9363 0.9363 1.5822 1.5822 3.7255 3.7255 4.7535 4.7535 4.8967 4.8967 5.9446 5.9446 k = 0.2332 0.2364 0.1717 ( 7274 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6865 -19.6865 -19.6849 -19.6849 -18.6908 -18.6908 -18.6887 -18.6887 -18.6624 -18.6624 -18.6584 -18.6584 -18.6493 -18.6493 -18.6443 -18.6443 -10.7707 -10.7707 -9.8619 -9.8619 -4.9669 -4.9669 -3.9229 -3.9229 -2.0951 -2.0951 -1.2496 -1.2496 -0.6778 -0.6778 0.5230 0.5230 1.0625 1.0625 1.5775 1.5775 3.7784 3.7784 4.6929 4.6929 4.8282 4.8282 5.9399 5.9399 k = 0.2242 0.2273 0.1717 ( 7282 PWs) bands (ev): -19.7190 -19.7190 -19.7168 -19.7168 -19.6866 -19.6866 -19.6850 -19.6850 -18.6907 -18.6907 -18.6888 -18.6888 -18.6626 -18.6626 -18.6585 -18.6585 -18.6494 -18.6494 -18.6444 -18.6444 -10.8118 -10.8118 -9.8652 -9.8652 -4.9631 -4.9631 -3.8679 -3.8679 -2.0401 -2.0401 -1.2974 -1.2974 -0.6294 -0.6294 0.5119 0.5119 1.1776 1.1776 1.5670 1.5670 3.8148 3.8148 4.6451 4.6451 4.7940 4.7940 5.9375 5.9375 k = 0.2153 0.2182 0.1717 ( 7284 PWs) bands (ev): -19.7190 -19.7190 -19.7169 -19.7169 -19.6867 -19.6867 -19.6851 -19.6851 -18.6907 -18.6907 -18.6888 -18.6888 -18.6628 -18.6628 -18.6585 -18.6585 -18.6495 -18.6495 -18.6445 -18.6445 -10.8520 -10.8520 -9.8688 -9.8688 -4.9550 -4.9550 -3.8098 -3.8098 -1.9848 -1.9848 -1.3446 -1.3446 -0.5809 -0.5809 0.4886 0.4886 1.2782 1.2782 1.5553 1.5553 3.8247 3.8247 4.5999 4.5999 4.8155 4.8155 5.9363 5.9363 k = 0.2063 0.2091 0.1717 ( 7284 PWs) bands (ev): -19.7190 -19.7190 -19.7170 -19.7170 -19.6868 -19.6868 -19.6852 -19.6852 -18.6906 -18.6906 -18.6888 -18.6888 -18.6630 -18.6630 -18.6585 -18.6585 -18.6496 -18.6496 -18.6445 -18.6445 -10.8912 -10.8912 -9.8728 -9.8728 -4.9427 -4.9427 -3.7485 -3.7485 -1.9291 -1.9291 -1.3908 -1.3908 -0.5324 -0.5324 0.4523 0.4523 1.3608 1.3608 1.5463 1.5463 3.8070 3.8070 4.5605 4.5605 4.8916 4.8916 5.9356 5.9356 k = 0.1973 0.2000 0.1717 ( 7292 PWs) bands (ev): -19.7190 -19.7190 -19.7170 -19.7170 -19.6869 -19.6869 -19.6853 -19.6853 -18.6906 -18.6906 -18.6889 -18.6889 -18.6633 -18.6633 -18.6585 -18.6585 -18.6497 -18.6497 -18.6446 -18.6446 -10.9292 -10.9292 -9.8771 -9.8771 -4.9264 -4.9264 -3.6844 -3.6844 -1.8734 -1.8734 -1.4358 -1.4358 -0.4841 -0.4841 0.4029 0.4029 1.4222 1.4222 1.5428 1.5428 3.7686 3.7686 4.5358 4.5358 5.0077 5.0077 5.9349 5.9349 k = 0.1884 0.1909 0.1717 ( 7294 PWs) bands (ev): -19.7191 -19.7191 -19.7171 -19.7171 -19.6870 -19.6870 -19.6854 -19.6854 -18.6906 -18.6906 -18.6890 -18.6890 -18.6635 -18.6635 -18.6586 -18.6586 -18.6497 -18.6497 -18.6446 -18.6446 -10.9660 -10.9660 -9.8817 -9.8817 -4.9062 -4.9062 -3.6174 -3.6174 -1.8180 -1.8180 -1.4793 -1.4793 -0.4361 -0.4361 0.3411 0.3411 1.4592 1.4592 1.5468 1.5468 3.7174 3.7174 4.5310 4.5310 5.1506 5.1506 5.9343 5.9343 k = 0.1794 0.1818 0.1717 ( 7282 PWs) bands (ev): -19.7191 -19.7191 -19.7171 -19.7171 -19.6872 -19.6872 -19.6855 -19.6855 -18.6906 -18.6906 -18.6891 -18.6891 -18.6638 -18.6638 -18.6586 -18.6586 -18.6498 -18.6498 -18.6447 -18.6447 -11.0015 -11.0015 -9.8865 -9.8865 -4.8822 -4.8822 -3.5478 -3.5478 -1.7632 -1.7632 -1.5209 -1.5209 -0.3886 -0.3886 0.2682 0.2682 1.4717 1.4717 1.5573 1.5573 3.6596 3.6596 4.5491 4.5491 5.3101 5.3101 5.9345 5.9345 k = 0.1704 0.1727 0.1717 ( 7286 PWs) bands (ev): -19.7191 -19.7191 -19.7172 -19.7172 -19.6873 -19.6873 -19.6856 -19.6856 -18.6906 -18.6906 -18.6892 -18.6892 -18.6640 -18.6640 -18.6586 -18.6586 -18.6498 -18.6498 -18.6447 -18.6447 -11.0356 -11.0356 -9.8916 -9.8916 -4.8548 -4.8548 -3.4756 -3.4756 -1.7101 -1.7101 -1.5595 -1.5595 -0.3418 -0.3418 0.1860 0.1860 1.4619 1.4619 1.5717 1.5717 3.5989 3.5989 4.5904 4.5904 5.4783 5.4783 5.9368 5.9368 k = 0.1615 0.1637 0.1717 ( 7268 PWs) bands (ev): -19.7192 -19.7192 -19.7173 -19.7173 -19.6874 -19.6874 -19.6857 -19.6857 -18.6906 -18.6906 -18.6893 -18.6893 -18.6643 -18.6643 -18.6586 -18.6586 -18.6499 -18.6499 -18.6447 -18.6447 -11.0684 -11.0684 -9.8967 -9.8967 -4.8241 -4.8241 -3.4012 -3.4012 -1.6638 -1.6638 -1.5903 -1.5903 -0.2960 -0.2960 0.0965 0.0965 1.4313 1.4313 1.5893 1.5893 3.5378 3.5378 4.6538 4.6538 5.6460 5.6460 5.9460 5.9460 k = 0.1525 0.1546 0.1717 ( 7260 PWs) bands (ev): -19.7192 -19.7192 -19.7173 -19.7173 -19.6875 -19.6875 -19.6858 -19.6858 -18.6907 -18.6907 -18.6895 -18.6895 -18.6645 -18.6645 -18.6586 -18.6586 -18.6499 -18.6499 -18.6447 -18.6447 -11.0996 -11.0996 -9.9020 -9.9020 -4.7904 -4.7904 -3.3247 -3.3247 -1.6561 -1.6561 -1.5815 -1.5815 -0.2513 -0.2513 0.0016 0.0016 1.3811 1.3811 1.6103 1.6103 3.4775 3.4775 4.7363 4.7363 5.7904 5.7904 5.9798 5.9798 k = 0.1435 0.1455 0.1717 ( 7258 PWs) bands (ev): -19.7193 -19.7193 -19.7174 -19.7174 -19.6876 -19.6876 -19.6859 -19.6859 -18.6907 -18.6907 -18.6896 -18.6896 -18.6647 -18.6647 -18.6586 -18.6586 -18.6500 -18.6500 -18.6447 -18.6447 -11.1293 -11.1293 -9.9073 -9.9073 -4.7540 -4.7540 -3.2464 -3.2464 -1.6835 -1.6835 -1.5367 -1.5367 -0.2082 -0.2082 -0.0968 -0.0968 1.3140 1.3140 1.6341 1.6341 3.4191 3.4191 4.8342 4.8342 5.8651 5.8651 6.0763 6.0763 k = 0.1345 0.1364 0.1717 ( 7256 PWs) bands (ev): -19.7194 -19.7194 -19.7174 -19.7174 -19.6877 -19.6877 -19.6860 -19.6860 -18.6908 -18.6908 -18.6898 -18.6898 -18.6650 -18.6650 -18.6586 -18.6586 -18.6500 -18.6500 -18.6447 -18.6447 -11.1574 -11.1574 -9.9126 -9.9126 -4.7152 -4.7152 -3.1665 -3.1665 -1.7146 -1.7146 -1.4876 -1.4876 -0.2012 -0.2012 -0.1628 -0.1628 1.2333 1.2333 1.6599 1.6599 3.3632 3.3632 4.9428 4.9428 5.8907 5.8907 6.1867 6.1867 k = 0.1256 0.1273 0.1717 ( 7256 PWs) bands (ev): -19.7194 -19.7194 -19.7175 -19.7175 -19.6878 -19.6878 -19.6861 -19.6861 -18.6909 -18.6909 -18.6899 -18.6899 -18.6652 -18.6652 -18.6586 -18.6586 -18.6500 -18.6500 -18.6446 -18.6446 -11.1839 -11.1839 -9.9179 -9.9179 -4.6745 -4.6745 -3.0855 -3.0855 -1.7447 -1.7447 -1.4388 -1.4388 -0.3011 -0.3011 -0.1244 -0.1244 1.1420 1.1420 1.6870 1.6870 3.3101 3.3101 5.0567 5.0567 5.9070 5.9070 6.2343 6.2343 k = 0.1166 0.1182 0.1717 ( 7260 PWs) bands (ev): -19.7195 -19.7195 -19.7176 -19.7176 -19.6879 -19.6879 -19.6862 -19.6862 -18.6909 -18.6909 -18.6900 -18.6900 -18.6654 -18.6654 -18.6586 -18.6586 -18.6501 -18.6501 -18.6446 -18.6446 -11.2087 -11.2087 -9.9230 -9.9230 -4.6323 -4.6323 -3.0036 -3.0036 -1.7729 -1.7729 -1.3916 -1.3916 -0.4023 -0.4023 -0.0862 -0.0862 1.0431 1.0431 1.7147 1.7147 3.2601 3.2601 5.1700 5.1700 5.9263 5.9263 6.2561 6.2561 k = 0.1076 0.1091 0.1717 ( 7270 PWs) bands (ev): -19.7195 -19.7195 -19.7176 -19.7176 -19.6880 -19.6880 -19.6863 -19.6863 -18.6910 -18.6910 -18.6902 -18.6902 -18.6656 -18.6656 -18.6586 -18.6586 -18.6501 -18.6501 -18.6445 -18.6445 -11.2318 -11.2318 -9.9280 -9.9280 -4.5890 -4.5890 -2.9215 -2.9215 -1.7990 -1.7990 -1.3465 -1.3465 -0.5021 -0.5021 -0.0499 -0.0499 0.9392 0.9392 1.7423 1.7423 3.2136 3.2136 5.2758 5.2758 5.9536 5.9536 6.2522 6.2522 k = 0.0987 0.1000 0.1717 ( 7276 PWs) bands (ev): -19.7196 -19.7196 -19.7177 -19.7177 -19.6881 -19.6881 -19.6864 -19.6864 -18.6911 -18.6911 -18.6903 -18.6903 -18.6658 -18.6658 -18.6586 -18.6586 -18.6502 -18.6502 -18.6445 -18.6445 -11.2531 -11.2531 -9.9327 -9.9327 -4.5452 -4.5452 -2.8398 -2.8398 -1.8226 -1.8226 -1.3038 -1.3038 -0.5990 -0.5990 -0.0159 -0.0159 0.8325 0.8325 1.7694 1.7694 3.1705 3.1705 5.3671 5.3671 5.9914 5.9914 6.2150 6.2150 k = 0.0897 0.0909 0.1717 ( 7278 PWs) bands (ev): -19.7196 -19.7196 -19.7177 -19.7177 -19.6882 -19.6882 -19.6864 -19.6864 -18.6912 -18.6912 -18.6905 -18.6905 -18.6660 -18.6660 -18.6586 -18.6586 -18.6502 -18.6502 -18.6444 -18.6444 -11.2727 -11.2727 -9.9373 -9.9373 -4.5014 -4.5014 -2.7591 -2.7591 -1.8435 -1.8435 -1.2641 -1.2641 -0.6920 -0.6920 0.0156 0.0156 0.7253 0.7253 1.7956 1.7956 3.1310 3.1310 5.4390 5.4390 6.0375 6.0375 6.1720 6.1720 k = 0.0807 0.0818 0.1717 ( 7284 PWs) bands (ev): -19.7197 -19.7197 -19.7178 -19.7178 -19.6882 -19.6882 -19.6865 -19.6865 -18.6912 -18.6912 -18.6906 -18.6906 -18.6661 -18.6661 -18.6586 -18.6586 -18.6503 -18.6503 -18.6444 -18.6444 -11.2905 -11.2905 -9.9415 -9.9415 -4.4583 -4.4583 -2.6805 -2.6805 -1.8616 -1.8616 -1.2279 -1.2279 -0.7797 -0.7797 0.0441 0.0441 0.6195 0.6195 1.8203 1.8203 3.0952 3.0952 5.4906 5.4906 6.0821 6.0821 6.1296 6.1296 k = 0.0718 0.0727 0.1717 ( 7292 PWs) bands (ev): -19.7197 -19.7197 -19.7178 -19.7178 -19.6883 -19.6883 -19.6866 -19.6866 -18.6913 -18.6913 -18.6907 -18.6907 -18.6663 -18.6663 -18.6586 -18.6586 -18.6503 -18.6503 -18.6443 -18.6443 -11.3065 -11.3065 -9.9454 -9.9454 -4.4166 -4.4166 -2.6049 -2.6049 -1.8766 -1.8766 -1.1960 -1.1960 -0.8607 -0.8607 0.0692 0.0692 0.5174 0.5174 1.8433 1.8433 3.0631 3.0631 5.5251 5.5251 6.0877 6.0877 6.1150 6.1150 k = 0.0628 0.0636 0.1717 ( 7294 PWs) bands (ev): -19.7198 -19.7198 -19.7178 -19.7178 -19.6883 -19.6883 -19.6866 -19.6866 -18.6914 -18.6914 -18.6908 -18.6908 -18.6664 -18.6664 -18.6586 -18.6586 -18.6504 -18.6504 -18.6443 -18.6443 -11.3207 -11.3207 -9.9489 -9.9489 -4.3771 -4.3771 -2.5338 -2.5338 -1.8883 -1.8883 -1.1698 -1.1698 -0.9327 -0.9327 0.0903 0.0903 0.4213 0.4213 1.8643 1.8643 3.0348 3.0348 5.5471 5.5471 6.0508 6.0508 6.1296 6.1296 k = 0.0538 0.0546 0.1717 ( 7278 PWs) bands (ev): -19.7198 -19.7198 -19.7179 -19.7179 -19.6884 -19.6884 -19.6867 -19.6867 -18.6915 -18.6915 -18.6909 -18.6909 -18.6665 -18.6665 -18.6586 -18.6586 -18.6504 -18.6504 -18.6442 -18.6442 -11.3329 -11.3329 -9.9520 -9.9520 -4.3405 -4.3405 -2.4685 -2.4685 -1.8965 -1.8965 -1.1528 -1.1528 -0.9915 -0.9915 0.1055 0.1055 0.3348 0.3348 1.8830 1.8830 3.0103 3.0103 5.5608 5.5608 6.0172 6.0172 6.1336 6.1336 k = 0.0448 0.0455 0.1717 ( 7294 PWs) bands (ev): -19.7199 -19.7199 -19.7179 -19.7179 -19.6884 -19.6884 -19.6867 -19.6867 -18.6915 -18.6915 -18.6910 -18.6910 -18.6666 -18.6666 -18.6586 -18.6586 -18.6504 -18.6504 -18.6442 -18.6442 -11.3434 -11.3434 -9.9546 -9.9546 -4.3077 -4.3077 -2.4109 -2.4109 -1.9011 -1.9011 -1.1524 -1.1524 -1.0290 -1.0290 0.1105 0.1105 0.2641 0.2641 1.8992 1.8992 2.9895 2.9895 5.5691 5.5691 5.9878 5.9878 6.1324 6.1324 k = 0.0359 0.0364 0.1717 ( 7286 PWs) bands (ev): -19.7199 -19.7199 -19.7179 -19.7179 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6910 -18.6910 -18.6667 -18.6667 -18.6586 -18.6586 -18.6505 -18.6505 -18.6442 -18.6442 -11.3519 -11.3519 -9.9569 -9.9569 -4.2795 -4.2795 -2.3624 -2.3624 -1.9023 -1.9023 -1.1723 -1.1723 -1.0407 -1.0407 0.0964 0.0964 0.2204 0.2204 1.9127 1.9127 2.9725 2.9725 5.5740 5.5740 5.9632 5.9632 6.1291 6.1291 k = 0.0269 0.0273 0.1717 ( 7290 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6911 -18.6911 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3586 -11.3586 -9.9586 -9.9586 -4.2567 -4.2567 -2.3242 -2.3242 -1.9009 -1.9009 -1.2002 -1.2002 -1.0382 -1.0382 0.0633 0.0633 0.2053 0.2053 1.9234 1.9234 2.9592 2.9592 5.5768 5.5768 5.9437 5.9437 6.1256 6.1256 k = 0.0179 0.0182 0.1717 ( 7294 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6868 -19.6868 -18.6916 -18.6916 -18.6911 -18.6911 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3633 -11.3633 -9.9599 -9.9599 -4.2398 -4.2398 -2.2970 -2.2970 -1.8980 -1.8980 -1.2244 -1.2244 -1.0326 -1.0326 0.0291 0.0291 0.2034 0.2034 1.9311 1.9311 2.9498 2.9498 5.5783 5.5783 5.9296 5.9296 6.1226 6.1226 k = 0.0090 0.0091 0.1717 ( 7290 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6668 -18.6668 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3662 -11.3662 -9.9606 -9.9606 -4.2295 -4.2295 -2.2809 -2.2809 -1.8953 -1.8953 -1.2400 -1.2400 -1.0284 -1.0284 0.0056 0.0056 0.2043 0.2043 1.9358 1.9358 2.9441 2.9441 5.5791 5.5791 5.9211 5.9211 6.1207 6.1207 k = 0.0000 0.0000 0.1717 ( 7290 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2755 -2.2755 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9374 1.9374 2.9422 2.9422 5.5793 5.5793 5.9182 5.9182 6.1200 6.1200 k = 0.0000 0.0000 0.1717 ( 7290 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2755 -2.2755 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9374 1.9374 2.9422 2.9422 5.5793 5.5793 5.9182 5.9182 6.1200 6.1200 k = 0.0000 0.0000 0.1594 ( 7295 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2755 -2.2755 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9374 1.9374 2.9432 2.9432 5.5595 5.5625 5.9174 5.9179 6.1375 6.1437 k = 0.0000 0.0000 0.1472 ( 7291 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2756 -2.2756 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9375 1.9375 2.9460 2.9461 5.5107 5.5154 5.9163 5.9169 6.1887 6.2001 k = 0.0000 0.0000 0.1349 ( 7291 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2757 -2.2757 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9377 1.9377 2.9507 2.9507 5.4458 5.4510 5.9155 5.9162 6.2583 6.2738 k = 0.0000 0.0000 0.1227 ( 7283 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2259 -4.2259 -2.2758 -2.2758 -1.8944 -1.8944 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9379 1.9380 2.9570 2.9570 5.3742 5.3793 5.9151 5.9156 6.3326 6.3512 k = 0.0000 0.0000 0.1104 ( 7287 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2259 -4.2259 -2.2759 -2.2759 -1.8944 -1.8944 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9382 1.9383 2.9646 2.9646 5.3015 5.3062 5.9148 5.9153 6.3987 6.4175 k = 0.0000 0.0000 0.0981 ( 7275 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2259 -4.2259 -2.2760 -2.2760 -1.8945 -1.8945 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9386 1.9386 2.9732 2.9733 5.2311 5.2352 5.9146 5.9150 6.4451 6.4604 k = 0.0000 0.0000 0.0859 ( 7267 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2259 -4.2259 -2.2762 -2.2762 -1.8946 -1.8945 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9389 1.9390 2.9825 2.9826 5.1651 5.1686 5.9145 5.9148 6.4716 6.4823 k = 0.0000 0.0000 0.0736 ( 7265 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2258 -4.2258 -2.2763 -2.2763 -1.8946 -1.8946 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9393 1.9393 2.9920 2.9921 5.1050 5.1080 5.9144 5.9147 6.4858 6.4933 k = 0.0000 0.0000 0.0613 ( 7267 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2258 -4.2258 -2.2764 -2.2764 -1.8947 -1.8947 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9396 1.9396 3.0013 3.0013 5.0522 5.0546 5.9144 5.9146 6.4940 6.4992 k = 0.0000 0.0000 0.0491 ( 7279 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2258 -4.2258 -2.2765 -2.2765 -1.8947 -1.8947 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0026 0.2049 0.2049 1.9399 1.9399 3.0097 3.0098 5.0075 5.0094 5.9143 5.9145 6.4989 6.5026 k = 0.0000 0.0000 0.0368 ( 7273 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2258 -4.2258 -2.2766 -2.2766 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9401 1.9402 3.0169 3.0170 4.9719 4.9733 5.9143 5.9144 6.5021 6.5046 k = 0.0000 0.0000 0.0245 ( 7275 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2257 -4.2257 -2.2767 -2.2767 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9403 1.9403 3.0224 3.0224 4.9460 4.9469 5.9143 5.9144 6.5041 6.5057 k = 0.0000 0.0000 0.0123 ( 7281 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2257 -4.2257 -2.2768 -2.2768 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9404 1.9404 3.0259 3.0259 4.9303 4.9308 5.9143 5.9144 6.5054 6.5062 k = 0.0000 0.0000 0.0000 ( 7277 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2257 -4.2257 -2.2768 -2.2768 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9405 1.9405 3.0270 3.0270 4.9252 4.9252 5.9143 5.9143 6.5060 6.5060 k = 0.0000 0.0000 0.0000 ( 7277 PWs) bands (ev): -19.7200 -19.7200 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2257 -4.2257 -2.2768 -2.2768 -1.8948 -1.8948 -1.2454 -1.2454 -1.0268 -1.0268 -0.0027 -0.0027 0.2049 0.2049 1.9405 1.9405 3.0270 3.0270 4.9252 4.9252 5.9143 5.9143 6.5060 6.5060 k =-0.0091 0.0090 0.0000 ( 7277 PWs) bands (ev): -19.7200 -19.7199 -19.7180 -19.7179 -19.6886 -19.6885 -19.6869 -19.6869 -18.6917 -18.6915 -18.6912 -18.6911 -18.6670 -18.6667 -18.6587 -18.6585 -18.6506 -18.6504 -18.6442 -18.6440 -11.3663 -11.3662 -9.9607 -9.9605 -4.2290 -4.2287 -2.2812 -2.2809 -1.8965 -1.8958 -1.2488 -1.2449 -1.0241 -1.0195 -0.0054 -0.0013 0.2093 0.2152 1.9391 1.9392 3.0285 3.0290 4.9263 4.9263 5.9142 5.9196 6.4741 6.5083 k =-0.0182 0.0179 0.0000 ( 7280 PWs) bands (ev): -19.7199 -19.7199 -19.7181 -19.7178 -19.6887 -19.6884 -19.6869 -19.6868 -18.6918 -18.6914 -18.6912 -18.6910 -18.6671 -18.6665 -18.6587 -18.6585 -18.6507 -18.6503 -18.6442 -18.6440 -11.3635 -11.3633 -9.9599 -9.9595 -4.2383 -4.2379 -2.2942 -2.2936 -1.9003 -1.8988 -1.2550 -1.2481 -1.0108 -1.0024 -0.0092 -0.0023 0.2290 0.2396 1.9350 1.9352 3.0335 3.0344 4.9295 4.9296 5.9190 5.9299 6.4176 6.4788 k =-0.0273 0.0269 0.0000 ( 7284 PWs) bands (ev): -19.7199 -19.7199 -19.7181 -19.7178 -19.6887 -19.6883 -19.6868 -19.6868 -18.6919 -18.6913 -18.6912 -18.6910 -18.6673 -18.6663 -18.6587 -18.6584 -18.6507 -18.6502 -18.6444 -18.6440 -11.3588 -11.3586 -9.9585 -9.9580 -4.2535 -4.2528 -2.3163 -2.3154 -1.9049 -1.9027 -1.2643 -1.2555 -0.9865 -0.9755 -0.0150 -0.0068 0.2644 0.2781 1.9283 1.9286 3.0418 3.0433 4.9348 4.9349 5.9285 5.9453 6.3416 6.4196 k =-0.0364 0.0359 0.0000 ( 7286 PWs) bands (ev): -19.7199 -19.7199 -19.7182 -19.7177 -19.6888 -19.6882 -19.6868 -19.6868 -18.6919 -18.6913 -18.6911 -18.6909 -18.6674 -18.6662 -18.6588 -18.6583 -18.6508 -18.6501 -18.6445 -18.6439 -11.3523 -11.3520 -9.9566 -9.9559 -4.2741 -4.2733 -2.3477 -2.3467 -1.9086 -1.9059 -1.2770 -1.2677 -0.9512 -0.9389 -0.0235 -0.0155 0.3147 0.3298 1.9190 1.9194 3.0537 3.0556 4.9421 4.9422 5.9420 5.9652 6.2503 6.3357 k =-0.0455 0.0448 0.0000 ( 7278 PWs) bands (ev): -19.7199 -19.7199 -19.7182 -19.7176 -19.6888 -19.6881 -19.6868 -19.6867 -18.6919 -18.6913 -18.6909 -18.6908 -18.6675 -18.6660 -18.6588 -18.6582 -18.6509 -18.6500 -18.6446 -18.6439 -11.3440 -11.3436 -9.9541 -9.9532 -4.2996 -4.2986 -2.3884 -2.3873 -1.9100 -1.9069 -1.2934 -1.2844 -0.9054 -0.8927 -0.0352 -0.0283 0.3779 0.3937 1.9072 1.9077 3.0691 3.0714 4.9513 4.9515 5.9587 5.9891 6.1469 6.2326 k =-0.0545 0.0538 0.0000 ( 7300 PWs) bands (ev): -19.7199 -19.7198 -19.7182 -19.7175 -19.6888 -19.6880 -19.6867 -19.6867 -18.6920 -18.6913 -18.6908 -18.6907 -18.6676 -18.6658 -18.6588 -18.6581 -18.6509 -18.6499 -18.6447 -18.6439 -11.3337 -11.3333 -9.9510 -9.9500 -4.3294 -4.3282 -2.4376 -2.4367 -1.9081 -1.9047 -1.3137 -1.3056 -0.8499 -0.8375 -0.0501 -0.0449 0.4521 0.4679 1.8931 1.8937 3.0880 3.0908 4.9621 4.9624 5.9768 6.0120 6.0377 6.1158 k =-0.0636 0.0628 0.0000 ( 7288 PWs) bands (ev): -19.7199 -19.7198 -19.7182 -19.7174 -19.6889 -19.6879 -19.6867 -19.6866 -18.6920 -18.6912 -18.6906 -18.6905 -18.6677 -18.6656 -18.6588 -18.6580 -18.6510 -18.6498 -18.6449 -18.6439 -11.3217 -11.3212 -9.9475 -9.9463 -4.3627 -4.3613 -2.4944 -2.4935 -1.9027 -1.8990 -1.3377 -1.3308 -0.7858 -0.7739 -0.0683 -0.0649 0.5350 0.5507 1.8767 1.8774 3.1104 3.1137 4.9741 4.9745 5.9100 5.9706 6.0136 6.0480 k =-0.0727 0.0718 0.0000 ( 7270 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7172 -19.6889 -19.6878 -19.6867 -19.6866 -18.6920 -18.6912 -18.6904 -18.6904 -18.6678 -18.6653 -18.6588 -18.6578 -18.6510 -18.6496 -18.6451 -18.6440 -11.3078 -11.3072 -9.9435 -9.9421 -4.3988 -4.3973 -2.5574 -2.5566 -1.8936 -1.8897 -1.3653 -1.3597 -0.7140 -0.7028 -0.0896 -0.0881 0.6245 0.6400 1.8583 1.8591 3.1365 3.1402 4.9866 4.9874 5.7835 5.8461 6.0216 6.0778 k =-0.0818 0.0807 0.0000 ( 7272 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7171 -19.6889 -19.6877 -19.6866 -19.6865 -18.6920 -18.6912 -18.6903 -18.6901 -18.6679 -18.6651 -18.6588 -18.6577 -18.6510 -18.6495 -18.6452 -18.6440 -11.2922 -11.2915 -9.9390 -9.9375 -4.4371 -4.4354 -2.6252 -2.6244 -1.8811 -1.8769 -1.3962 -1.3919 -0.6356 -0.6251 -0.1142 -0.1138 0.7186 0.7339 1.8380 1.8390 3.1661 3.1702 4.9983 4.9996 5.6544 5.7087 6.0355 6.1055 k =-0.0909 0.0897 0.0000 ( 7278 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7170 -19.6889 -19.6876 -19.6865 -19.6864 -18.6920 -18.6911 -18.6901 -18.6899 -18.6679 -18.6649 -18.6588 -18.6576 -18.6511 -18.6494 -18.6454 -18.6440 -11.2747 -11.2740 -9.9341 -9.9324 -4.4769 -4.4751 -2.6965 -2.6958 -1.8654 -1.8610 -1.4303 -1.4272 -0.5516 -0.5417 -0.1430 -0.1407 0.8154 0.8304 1.8162 1.8174 3.1992 3.2038 5.0065 5.0089 5.5277 5.5727 6.0415 6.1262 k =-0.1000 0.0987 0.0000 ( 7288 PWs) bands (ev): -19.7198 -19.7196 -19.7181 -19.7169 -19.6889 -19.6875 -19.6865 -19.6863 -18.6919 -18.6911 -18.6899 -18.6897 -18.6680 -18.6647 -18.6588 -18.6574 -18.6511 -18.6492 -18.6456 -18.6441 -11.2555 -11.2547 -9.9288 -9.9269 -4.5175 -4.5156 -2.7702 -2.7696 -1.8469 -1.8422 -1.4671 -1.4653 -0.4631 -0.4538 -0.1743 -0.1701 0.9128 0.9276 1.7931 1.7946 3.2359 3.2409 5.0051 5.0097 5.4118 5.4465 6.0329 6.1319 k =-0.1091 0.1076 0.0000 ( 7288 PWs) bands (ev): -19.7198 -19.7195 -19.7181 -19.7168 -19.6889 -19.6874 -19.6864 -19.6862 -18.6919 -18.6911 -18.6898 -18.6895 -18.6680 -18.6644 -18.6588 -18.6572 -18.6511 -18.6491 -18.6458 -18.6441 -11.2346 -11.2337 -9.9231 -9.9212 -4.5584 -4.5563 -2.8455 -2.8449 -1.8259 -1.8208 -1.5064 -1.5056 -0.3710 -0.3622 -0.2078 -0.2015 1.0088 1.0235 1.7691 1.7708 3.2760 3.2814 4.9818 4.9903 5.3211 5.3444 6.0024 6.1104 k =-0.1182 0.1166 0.0000 ( 7284 PWs) bands (ev): -19.7197 -19.7195 -19.7180 -19.7167 -19.6889 -19.6873 -19.6863 -19.6861 -18.6919 -18.6910 -18.6896 -18.6892 -18.6680 -18.6642 -18.6588 -18.6571 -18.6510 -18.6489 -18.6460 -18.6441 -11.2120 -11.2111 -9.9172 -9.9151 -4.5989 -4.5967 -2.9214 -2.9209 -1.8027 -1.7970 -1.5478 -1.5478 -0.2783 -0.2685 -0.2429 -0.2333 1.1012 1.1157 1.7445 1.7466 3.3195 3.3252 4.9233 4.9359 5.2714 5.2841 5.9434 6.0497 k =-0.1273 0.1256 0.0000 ( 7284 PWs) bands (ev): -19.7197 -19.7194 -19.7180 -19.7165 -19.6889 -19.6872 -19.6862 -19.6860 -18.6919 -18.6910 -18.6895 -18.6890 -18.6680 -18.6640 -18.6588 -18.6569 -18.6510 -18.6487 -18.6462 -18.6442 -11.1877 -11.1867 -9.9110 -9.9087 -4.6386 -4.6363 -2.9975 -2.9969 -1.7781 -1.7715 -1.5912 -1.5907 -0.2812 -0.2732 -0.1778 -0.1720 1.1874 1.2018 1.7199 1.7223 3.3661 3.3721 4.8355 4.8485 5.2597 5.2658 5.8538 5.9471 k =-0.1364 0.1345 0.0000 ( 7290 PWs) bands (ev): -19.7197 -19.7194 -19.7179 -19.7164 -19.6888 -19.6870 -19.6861 -19.6859 -18.6918 -18.6909 -18.6893 -18.6887 -18.6680 -18.6638 -18.6588 -18.6567 -18.6510 -18.6485 -18.6464 -18.6442 -11.1618 -11.1607 -9.9046 -9.9022 -4.6770 -4.6747 -3.0731 -3.0725 -1.7537 -1.7454 -1.6338 -1.6337 -0.3203 -0.3100 -0.0818 -0.0760 1.2648 1.2790 1.6957 1.6986 3.4157 3.4219 4.7372 4.7478 5.2696 5.2725 5.7374 5.8129 k =-0.1455 0.1435 0.0000 ( 7298 PWs) bands (ev): -19.7197 -19.7193 -19.7178 -19.7163 -19.6888 -19.6869 -19.6860 -19.6858 -18.6918 -18.6909 -18.6892 -18.6885 -18.6680 -18.6635 -18.6588 -18.6565 -18.6509 -18.6484 -18.6467 -18.6443 -11.1343 -11.1332 -9.8980 -9.8955 -4.7138 -4.7114 -3.1478 -3.1471 -1.7385 -1.7265 -1.6690 -1.6668 -0.3610 -0.3488 0.0137 0.0192 1.3303 1.3443 1.6724 1.6759 3.4679 3.4741 4.6422 4.6497 5.2897 5.2903 5.6026 5.6605 k =-0.1545 0.1525 0.0000 ( 7298 PWs) bands (ev): -19.7197 -19.7193 -19.7178 -19.7162 -19.6888 -19.6868 -19.6859 -19.6857 -18.6918 -18.6909 -18.6890 -18.6883 -18.6680 -18.6633 -18.6588 -18.6563 -18.6509 -18.6482 -18.6469 -18.6443 -11.1053 -11.1041 -9.8914 -9.8888 -4.7485 -4.7460 -3.2212 -3.2204 -1.7581 -1.7469 -1.6643 -1.6643 -0.4031 -0.3889 0.1072 0.1121 1.3811 1.3945 1.6507 1.6547 3.5222 3.5282 4.5588 4.5631 5.3056 5.3099 5.4646 5.5047 k =-0.1636 0.1614 0.0000 ( 7292 PWs) bands (ev): -19.7197 -19.7192 -19.7177 -19.7161 -19.6887 -19.6867 -19.6858 -19.6856 -18.6917 -18.6909 -18.6889 -18.6881 -18.6680 -18.6631 -18.6588 -18.6561 -18.6508 -18.6480 -18.6471 -18.6444 -11.0748 -11.0735 -9.8847 -9.8819 -4.7809 -4.7783 -3.2930 -3.2921 -1.8012 -1.7913 -1.6375 -1.6348 -0.4462 -0.4302 0.1968 0.2013 1.4141 1.4267 1.6311 1.6357 3.5779 3.5834 4.4921 4.4936 5.2521 5.2788 5.3938 5.4016 k =-0.1727 0.1704 0.0000 ( 7288 PWs) bands (ev): -19.7197 -19.7192 -19.7176 -19.7160 -19.6887 -19.6866 -19.6857 -19.6855 -18.6917 -18.6909 -18.6888 -18.6879 -18.6679 -18.6629 -18.6588 -18.6559 -18.6507 -18.6478 -18.6472 -18.6444 -11.0429 -11.0415 -9.8780 -9.8751 -4.8105 -4.8079 -3.3629 -3.3619 -1.8498 -1.8401 -1.6044 -1.6003 -0.4903 -0.4723 0.2811 0.2850 1.4269 1.4380 1.6145 1.6195 3.6338 3.6383 4.4448 4.4456 5.1118 5.1395 5.4125 5.4128 k =-0.1818 0.1794 0.0000 ( 7292 PWs) bands (ev): -19.7197 -19.7191 -19.7175 -19.7159 -19.6886 -19.6865 -19.6856 -19.6853 -18.6917 -18.6909 -18.6887 -18.6877 -18.6678 -18.6628 -18.6588 -18.6557 -18.6506 -18.6476 -18.6474 -18.6444 -11.0096 -11.0082 -9.8713 -9.8684 -4.8372 -4.8346 -3.4306 -3.4295 -1.9004 -1.8903 -1.5685 -1.5633 -0.5350 -0.5151 0.3581 0.3615 1.4176 1.4264 1.6020 1.6069 3.6883 3.6908 4.4184 4.4209 4.9633 4.9875 5.4470 5.4481 k =-0.1909 0.1884 0.0000 ( 7288 PWs) bands (ev): -19.7197 -19.7191 -19.7174 -19.7158 -19.6885 -19.6864 -19.6855 -19.6852 -18.6917 -18.6909 -18.6886 -18.6875 -18.6677 -18.6626 -18.6588 -18.6555 -18.6504 -18.6476 -18.6474 -18.6444 -10.9750 -10.9735 -9.8647 -9.8617 -4.8608 -4.8582 -3.4960 -3.4948 -1.9518 -1.9412 -1.5310 -1.5248 -0.5803 -0.5582 0.4263 0.4292 1.3851 1.3910 1.5946 1.5991 3.7372 3.7378 4.4138 4.4175 4.8251 4.8479 5.4869 5.4882 k =-0.2000 0.1973 0.0000 ( 7292 PWs) bands (ev): -19.7197 -19.7190 -19.7173 -19.7157 -19.6885 -19.6863 -19.6854 -19.6851 -18.6917 -18.6910 -18.6885 -18.6874 -18.6676 -18.6625 -18.6588 -18.6553 -18.6503 -18.6477 -18.6472 -18.6444 -10.9391 -10.9376 -9.8583 -9.8553 -4.8809 -4.8784 -3.5589 -3.5575 -2.0037 -1.9924 -1.4923 -1.4851 -0.6259 -0.6015 0.4839 0.4864 1.3298 1.3325 1.5924 1.5964 3.7710 3.7765 4.4279 4.4325 4.7100 4.7339 5.5295 5.5310 k =-0.2091 0.2063 0.0000 ( 7296 PWs) bands (ev): -19.7197 -19.7190 -19.7173 -19.7157 -19.6884 -19.6862 -19.6853 -19.6849 -18.6917 -18.6910 -18.6885 -18.6873 -18.6675 -18.6623 -18.6588 -18.6552 -18.6501 -18.6478 -18.6470 -18.6444 -10.9021 -10.9006 -9.8521 -9.8490 -4.8975 -4.8950 -3.6191 -3.6176 -2.0556 -2.0436 -1.4529 -1.4446 -0.6715 -0.6446 0.5299 0.5321 1.2533 1.2538 1.5943 1.5981 3.7831 3.7952 4.4530 4.4597 4.6353 4.6616 5.5742 5.5760 k =-0.2182 0.2153 0.0000 ( 7292 PWs) bands (ev): -19.7197 -19.7190 -19.7172 -19.7156 -19.6883 -19.6861 -19.6852 -19.6848 -18.6918 -18.6911 -18.6885 -18.6872 -18.6673 -18.6622 -18.6587 -18.6550 -18.6500 -18.6479 -18.6468 -18.6443 -10.8641 -10.8625 -9.8462 -9.8430 -4.9104 -4.9079 -3.6764 -3.6747 -2.1073 -2.0947 -1.4133 -1.4036 -0.7170 -0.6873 0.5638 0.5656 1.1563 1.1601 1.5986 1.6021 3.7655 3.7846 4.4787 4.4918 4.6207 4.6461 5.6206 5.6228 k =-0.2273 0.2242 0.0000 ( 7306 PWs) bands (ev): -19.7198 -19.7190 -19.7171 -19.7156 -19.6882 -19.6861 -19.6851 -19.6847 -18.6918 -18.6912 -18.6885 -18.6871 -18.6672 -18.6621 -18.6587 -18.6548 -18.6498 -18.6480 -18.6466 -18.6443 -10.8250 -10.8234 -9.8405 -9.8373 -4.9195 -4.9170 -3.7307 -3.7289 -2.1586 -2.1453 -1.3740 -1.3628 -0.7620 -0.7292 0.5856 0.5874 1.0450 1.0518 1.6022 1.6055 3.7193 3.7439 4.5109 4.5323 4.6605 4.6821 5.6686 5.6714 k =-0.2364 0.2332 0.0000 ( 7298 PWs) bands (ev): -19.7198 -19.7189 -19.7171 -19.7155 -19.6881 -19.6860 -19.6850 -19.6846 -18.6918 -18.6913 -18.6885 -18.6871 -18.6670 -18.6620 -18.6587 -18.6547 -18.6495 -18.6480 -18.6464 -18.6442 -10.7851 -10.7834 -9.8351 -9.8319 -4.9246 -4.9222 -3.7819 -3.7800 -2.2094 -2.1954 -1.3357 -1.3227 -0.8060 -0.7698 0.5963 0.5981 0.9225 0.9322 1.6012 1.6040 3.6564 3.6843 4.5643 4.5911 4.7279 4.7473 5.7184 5.7219 k =-0.2455 0.2422 0.0000 ( 7294 PWs) bands (ev): -19.7198 -19.7189 -19.7170 -19.7155 -19.6881 -19.6859 -19.6849 -19.6844 -18.6919 -18.6915 -18.6885 -18.6871 -18.6668 -18.6619 -18.6587 -18.6546 -18.6493 -18.6480 -18.6463 -18.6441 -10.7444 -10.7426 -9.8301 -9.8268 -4.9256 -4.9234 -3.8299 -3.8278 -2.2594 -2.2448 -1.2995 -1.2843 -0.8487 -0.8086 0.5968 0.5990 0.7921 0.8044 1.5910 1.5931 3.5915 3.6211 4.6386 4.6684 4.8075 4.8263 5.7702 5.7748 k =-0.2545 0.2511 0.0000 ( 7282 PWs) bands (ev): -19.7198 -19.7189 -19.7169 -19.7155 -19.6880 -19.6858 -19.6848 -19.6843 -18.6919 -18.6916 -18.6886 -18.6871 -18.6666 -18.6619 -18.6586 -18.6545 -18.6491 -18.6479 -18.6462 -18.6440 -10.7030 -10.7012 -9.8255 -9.8222 -4.9226 -4.9205 -3.8744 -3.8722 -2.3085 -2.2932 -1.2666 -1.2491 -0.8890 -0.8448 0.5873 0.5915 0.6581 0.6713 1.5673 1.5683 3.5364 3.5667 4.7277 4.7596 4.8918 4.9110 5.8247 5.8307 k =-0.2636 0.2601 0.0000 ( 7278 PWs) bands (ev): -19.7199 -19.7189 -19.7169 -19.7155 -19.6879 -19.6858 -19.6847 -19.6842 -18.6920 -18.6918 -18.6887 -18.6871 -18.6664 -18.6618 -18.6586 -18.6544 -18.6488 -18.6478 -18.6460 -18.6439 -10.6610 -10.6592 -9.8212 -9.8180 -4.9154 -4.9136 -3.9155 -3.9132 -2.3566 -2.3406 -1.2390 -1.2194 -0.9255 -0.8773 0.5129 0.5352 0.5773 0.5792 1.5263 1.5268 3.4985 3.5289 4.8268 4.8602 4.9759 4.9963 5.8825 5.8904 k =-0.2727 0.2691 0.0000 ( 7262 PWs) bands (ev): -19.7199 -19.7189 -19.7169 -19.7155 -19.6878 -19.6857 -19.6846 -19.6841 -18.6921 -18.6920 -18.6889 -18.6872 -18.6662 -18.6618 -18.6585 -18.6543 -18.6486 -18.6477 -18.6459 -18.6437 -10.6187 -10.6168 -9.8174 -9.8141 -4.9041 -4.9025 -3.9530 -3.9505 -2.4035 -2.3868 -1.2190 -1.1986 -0.9558 -0.9051 0.3768 0.3999 0.5561 0.5566 1.4655 1.4680 3.4817 3.5117 4.9325 4.9668 5.0560 5.0786 5.9441 5.9547 k =-0.2818 0.2780 0.0000 ( 7266 PWs) bands (ev): -19.7199 -19.7189 -19.7168 -19.7156 -19.6877 -19.6857 -19.6845 -19.6840 -18.6922 -18.6922 -18.6890 -18.6873 -18.6660 -18.6617 -18.6585 -18.6542 -18.6484 -18.6475 -18.6458 -18.6435 -10.5760 -10.5742 -9.8139 -9.8107 -4.8887 -4.8873 -3.9869 -3.9842 -2.4490 -2.4316 -1.2089 -1.1913 -0.9773 -0.9278 0.2426 0.2676 0.5294 0.5306 1.3868 1.3914 3.4865 3.5160 5.0422 5.0754 5.1291 5.1565 6.0097 6.0239 k =-0.2909 0.2870 0.0000 ( 7258 PWs) bands (ev): -19.7199 -19.7189 -19.7168 -19.7156 -19.6876 -19.6856 -19.6844 -19.6839 -18.6924 -18.6923 -18.6892 -18.6874 -18.6657 -18.6617 -18.6584 -18.6542 -18.6482 -18.6472 -18.6458 -18.6433 -10.5332 -10.5313 -9.8109 -9.8078 -4.8692 -4.8681 -4.0169 -4.0141 -2.4931 -2.4750 -1.2102 -1.2004 -0.9895 -0.9466 0.1154 0.1421 0.4979 0.4995 1.2927 1.2995 3.5116 3.5404 5.1532 5.1762 5.1938 5.2355 6.0787 6.0980 k =-0.3000 0.2960 0.0000 ( 7252 PWs) bands (ev): -19.7200 -19.7189 -19.7168 -19.7156 -19.6875 -19.6856 -19.6843 -19.6837 -18.6927 -18.6924 -18.6894 -18.6876 -18.6655 -18.6616 -18.6583 -18.6542 -18.6480 -18.6469 -18.6457 -18.6431 -10.4903 -10.4885 -9.8083 -9.8052 -4.8457 -4.8449 -4.0430 -4.0401 -2.5355 -2.5167 -1.2239 -1.2223 -0.9976 -0.9661 0.0002 0.0277 0.4610 0.4631 1.1872 1.1961 3.5542 3.5822 5.2410 5.2492 5.2720 5.3334 6.1490 6.1756 k =-0.3091 0.3050 0.0000 ( 7254 PWs) bands (ev): -19.7200 -19.7190 -19.7168 -19.7157 -19.6874 -19.6856 -19.6842 -19.6836 -18.6929 -18.6925 -18.6896 -18.6878 -18.6653 -18.6616 -18.6581 -18.6542 -18.6478 -18.6466 -18.6456 -18.6429 -10.4476 -10.4457 -9.8062 -9.8031 -4.8182 -4.8177 -4.0651 -4.0621 -2.5762 -2.5567 -1.2580 -1.2430 -1.0101 -0.9932 -0.0972 -0.0707 0.4181 0.4205 1.0750 1.0858 3.6111 3.6386 5.2860 5.2982 5.3814 5.4445 6.2170 6.2547 k =-0.3182 0.3139 0.0000 ( 7240 PWs) bands (ev): -19.7200 -19.7190 -19.7168 -19.7158 -19.6873 -19.6855 -19.6841 -19.6835 -18.6931 -18.6926 -18.6899 -18.6880 -18.6650 -18.6616 -18.6580 -18.6541 -18.6477 -18.6463 -18.6456 -18.6427 -10.4052 -10.4033 -9.8044 -9.8014 -4.7869 -4.7869 -4.0832 -4.0801 -2.6150 -2.5947 -1.2997 -1.2704 -1.0350 -1.0343 -0.1715 -0.1480 0.3673 0.3699 0.9614 0.9738 3.6795 3.7066 5.3195 5.3340 5.4899 5.5576 6.2781 6.3322 k =-0.3273 0.3229 0.0000 ( 7236 PWs) bands (ev): -19.7201 -19.7190 -19.7168 -19.7158 -19.6872 -19.6855 -19.6840 -19.6835 -18.6934 -18.6928 -18.6902 -18.6882 -18.6648 -18.6616 -18.6578 -18.6541 -18.6475 -18.6459 -18.6455 -18.6425 -10.3633 -10.3614 -9.8029 -9.8001 -4.7524 -4.7520 -4.0970 -4.0939 -2.6519 -2.6308 -1.3487 -1.3036 -1.0949 -1.0735 -0.2197 -0.2009 0.3063 0.3087 0.8521 0.8654 3.7567 3.7837 5.3447 5.3604 5.5939 5.6685 6.3267 6.4047 k =-0.3364 0.3319 0.0000 ( 7226 PWs) bands (ev): -19.7201 -19.7190 -19.7168 -19.7159 -19.6871 -19.6855 -19.6839 -19.6834 -18.6936 -18.6929 -18.6905 -18.6884 -18.6646 -18.6615 -18.6577 -18.6541 -18.6474 -18.6456 -18.6455 -18.6423 -10.3220 -10.3201 -9.8019 -9.7991 -4.7145 -4.7137 -4.1066 -4.1035 -2.6865 -2.6646 -1.4064 -1.3445 -1.1692 -1.1256 -0.2431 -0.2297 0.2322 0.2340 0.7527 0.7661 3.8408 3.8677 5.3631 5.3796 5.6910 5.7745 6.3592 6.4674 k =-0.3455 0.3408 0.0000 ( 7236 PWs) bands (ev): -19.7201 -19.7191 -19.7168 -19.7160 -19.6870 -19.6855 -19.6838 -19.6833 -18.6939 -18.6930 -18.6908 -18.6887 -18.6644 -18.6615 -18.6575 -18.6541 -18.6472 -18.6455 -18.6452 -18.6421 -10.2815 -10.2797 -9.8011 -9.7984 -4.6735 -4.6721 -4.1119 -4.1087 -2.7189 -2.6962 -1.4756 -1.4005 -1.2459 -1.1842 -0.2465 -0.2385 0.1433 0.1440 0.6673 0.6800 3.9299 3.9570 5.3763 5.3934 5.7791 5.8732 6.3754 6.5089 k =-0.3545 0.3498 0.0000 ( 7234 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7161 -19.6869 -19.6855 -19.6837 -19.6832 -18.6941 -18.6931 -18.6911 -18.6890 -18.6642 -18.6615 -18.6573 -18.6541 -18.6471 -18.6454 -18.6448 -18.6419 -10.2421 -10.2402 -9.8007 -9.7981 -4.6296 -4.6276 -4.1128 -4.1096 -2.7488 -2.7253 -1.5585 -1.4819 -1.3087 -1.2416 -0.2360 -0.2334 0.0404 0.0406 0.5969 0.6083 4.0227 4.0502 5.3856 5.4034 5.8559 5.9620 6.3786 6.5193 k =-0.3636 0.3588 0.0000 ( 7250 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7162 -19.6868 -19.6855 -19.6836 -19.6831 -18.6944 -18.6933 -18.6914 -18.6893 -18.6639 -18.6615 -18.6571 -18.6541 -18.6469 -18.6454 -18.6445 -18.6417 -10.2038 -10.2020 -9.8005 -9.7980 -4.5831 -4.5805 -4.1092 -4.1060 -2.7760 -2.7517 -1.6547 -1.5870 -1.3543 -1.2933 -0.2249 -0.2196 -0.0706 -0.0673 0.5400 0.5498 4.1180 4.1460 5.3922 5.4106 5.9199 6.0385 6.3741 6.5217 k =-0.3727 0.3677 0.0000 ( 7258 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7163 -19.6868 -19.6855 -19.6835 -19.6831 -18.6946 -18.6934 -18.6917 -18.6896 -18.6638 -18.6615 -18.6569 -18.6540 -18.6468 -18.6454 -18.6441 -18.6415 -10.1668 -10.1651 -9.8005 -9.7982 -4.5345 -4.5313 -4.1011 -4.0980 -2.8005 -2.7754 -1.7616 -1.7052 -1.3899 -1.3381 -0.2559 -0.2364 -0.1502 -0.1367 0.4934 0.5019 4.2148 4.2435 5.3970 5.4161 5.9706 6.1001 6.3659 6.5232 k =-0.3818 0.3767 0.0000 ( 7250 PWs) bands (ev): -19.7201 -19.7192 -19.7170 -19.7165 -19.6867 -19.6855 -19.6835 -19.6830 -18.6948 -18.6935 -18.6920 -18.6899 -18.6636 -18.6615 -18.6567 -18.6540 -18.6466 -18.6453 -18.6438 -18.6414 -10.1314 -10.1298 -9.8007 -9.7986 -4.4842 -4.4803 -4.0885 -4.0854 -2.8220 -2.7961 -1.8752 -1.8290 -1.4200 -1.3768 -0.3634 -0.3460 -0.1378 -0.1295 0.4546 0.4619 4.3122 4.3417 5.4009 5.4208 6.0086 6.1458 6.3563 6.5233 k =-0.3909 0.3857 0.0000 ( 7244 PWs) bands (ev): -19.7201 -19.7192 -19.7170 -19.7166 -19.6866 -19.6855 -19.6834 -19.6830 -18.6950 -18.6936 -18.6923 -18.6902 -18.6634 -18.6615 -18.6565 -18.6540 -18.6465 -18.6453 -18.6435 -18.6412 -10.0978 -10.0962 -9.8011 -9.7991 -4.4327 -4.4282 -4.0714 -4.0684 -2.8402 -2.8137 -1.9925 -1.9545 -1.4467 -1.4107 -0.4906 -0.4740 -0.1068 -0.1016 0.4217 0.4279 4.4094 4.4398 5.4044 5.4253 6.0358 6.1764 6.3452 6.5159 k =-0.4000 0.3946 0.0000 ( 7244 PWs) bands (ev): -19.7201 -19.7192 -19.7171 -19.7167 -19.6865 -19.6855 -19.6833 -19.6829 -18.6952 -18.6937 -18.6926 -18.6905 -18.6632 -18.6615 -18.6563 -18.6540 -18.6464 -18.6453 -18.6432 -18.6411 -10.0660 -10.0645 -9.8016 -9.7997 -4.3806 -4.3755 -4.0498 -4.0470 -2.8551 -2.8280 -2.1108 -2.0794 -1.4708 -1.4406 -0.6205 -0.6037 -0.0728 -0.0693 0.3933 0.3987 4.5054 4.5369 5.4081 5.4302 6.0550 6.1948 6.3310 6.4912 k =-0.4091 0.4036 0.0000 ( 7236 PWs) bands (ev): -19.7201 -19.7193 -19.7171 -19.7168 -19.6864 -19.6855 -19.6832 -19.6829 -18.6953 -18.6939 -18.6929 -18.6908 -18.6630 -18.6615 -18.6561 -18.6540 -18.6463 -18.6453 -18.6429 -18.6410 -10.0363 -10.0349 -9.8022 -9.8005 -4.3287 -4.3231 -4.0238 -4.0212 -2.8664 -2.8389 -2.2284 -2.2024 -1.4925 -1.4671 -0.7488 -0.7317 -0.0386 -0.0360 0.3686 0.3733 4.5994 4.6322 5.4124 5.4358 6.0686 6.2054 6.3114 6.4522 k =-0.4182 0.4126 0.0000 ( 7238 PWs) bands (ev): -19.7201 -19.7193 -19.7172 -19.7169 -19.6863 -19.6855 -19.6832 -19.6828 -18.6955 -18.6940 -18.6931 -18.6911 -18.6629 -18.6615 -18.6559 -18.6540 -18.6461 -18.6453 -18.6426 -18.6409 -10.0089 -10.0076 -9.8028 -9.8012 -4.2778 -4.2716 -3.9937 -3.9913 -2.8740 -2.8464 -2.3439 -2.3222 -1.5120 -1.4906 -0.8734 -0.8561 -0.0052 -0.0033 0.3470 0.3511 4.6905 4.7245 5.4174 5.4425 6.0792 6.2121 6.2853 6.4058 k =-0.4273 0.4216 0.0000 ( 7230 PWs) bands (ev): -19.7200 -19.7193 -19.7173 -19.7170 -19.6863 -19.6855 -19.6831 -19.6828 -18.6956 -18.6941 -18.6933 -18.6913 -18.6627 -18.6615 -18.6557 -18.6540 -18.6460 -18.6453 -18.6423 -18.6408 -9.9839 -9.9827 -9.8034 -9.8021 -4.2286 -4.2220 -3.9596 -3.9576 -2.8777 -2.8503 -2.4560 -2.4378 -1.5295 -1.5114 -0.9925 -0.9751 0.0264 0.0279 0.3282 0.3318 4.7777 4.8129 5.4233 5.4501 6.0888 6.2177 6.2533 6.3558 k =-0.4364 0.4305 0.0000 ( 7240 PWs) bands (ev): -19.7200 -19.7194 -19.7173 -19.7171 -19.6862 -19.6855 -19.6831 -19.6828 -18.6957 -18.6943 -18.6934 -18.6916 -18.6626 -18.6615 -18.6555 -18.6540 -18.6459 -18.6453 -18.6421 -18.6408 -9.9614 -9.9603 -9.8041 -9.8029 -4.1820 -4.1753 -3.9221 -3.9203 -2.8776 -2.8509 -2.5635 -2.5484 -1.5448 -1.5296 -1.1044 -1.0873 0.0556 0.0568 0.3120 0.3151 4.8599 4.8960 5.4300 5.4587 6.0987 6.2145 6.2272 6.3056 k =-0.4455 0.4395 0.0000 ( 7236 PWs) bands (ev): -19.7200 -19.7194 -19.7174 -19.7172 -19.6861 -19.6856 -19.6830 -19.6828 -18.6958 -18.6945 -18.6935 -18.6919 -18.6625 -18.6616 -18.6553 -18.6541 -18.6458 -18.6453 -18.6419 -18.6407 -9.9416 -9.9407 -9.8047 -9.8036 -4.1391 -4.1325 -3.8818 -3.8803 -2.8739 -2.8485 -2.6652 -2.6528 -1.5580 -1.5454 -1.2075 -1.1911 0.0819 0.0829 0.2981 0.3008 4.9359 4.9724 5.4375 5.4677 6.1095 6.1777 6.2357 6.2582 k =-0.4545 0.4485 0.0000 ( 7240 PWs) bands (ev): -19.7199 -19.7195 -19.7174 -19.7173 -19.6861 -19.6856 -19.6830 -19.6828 -18.6958 -18.6947 -18.6935 -18.6921 -18.6623 -18.6616 -18.6551 -18.6541 -18.6458 -18.6453 -18.6417 -18.6407 -9.9247 -9.9239 -9.8052 -9.8043 -4.1008 -4.0946 -3.8397 -3.8386 -2.8672 -2.8438 -2.7598 -2.7496 -1.5692 -1.5589 -1.2999 -1.2845 0.1049 0.1058 0.2865 0.2889 5.0046 5.0405 5.4454 5.4766 6.1191 6.1405 6.2189 6.2490 k =-0.4636 0.4574 0.0000 ( 7240 PWs) bands (ev): -19.7199 -19.7195 -19.7174 -19.7173 -19.6860 -19.6856 -19.6829 -19.6828 -18.6958 -18.6949 -18.6935 -18.6924 -18.6622 -18.6616 -18.6550 -18.6541 -18.6457 -18.6453 -18.6415 -18.6407 -9.9106 -9.9100 -9.8057 -9.8049 -4.0679 -4.0624 -3.7975 -3.7967 -2.8588 -2.8454 -2.8375 -2.8364 -1.5783 -1.5701 -1.3794 -1.3658 0.1242 0.1249 0.2772 0.2791 5.0646 5.0984 5.4537 5.4843 6.1069 6.1179 6.1997 6.2663 k =-0.4727 0.4664 0.0000 ( 7240 PWs) bands (ev): -19.7199 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6958 -18.6951 -18.6934 -18.6926 -18.6621 -18.6617 -18.6548 -18.6542 -18.6456 -18.6453 -18.6413 -18.6407 -9.8996 -9.8991 -9.8060 -9.8055 -4.0412 -4.0367 -3.7575 -3.7571 -2.9188 -2.9131 -2.8475 -2.8313 -1.5853 -1.5790 -1.4440 -1.4327 0.1396 0.1401 0.2700 0.2716 5.1149 5.1443 5.4622 5.4898 6.0791 6.0991 6.2092 6.2863 k =-0.4818 0.4754 0.0000 ( 7236 PWs) bands (ev): -19.7198 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6957 -18.6953 -18.6933 -18.6928 -18.6620 -18.6617 -18.6547 -18.6543 -18.6455 -18.6454 -18.6411 -18.6408 -9.8916 -9.8913 -9.8062 -9.8059 -4.0214 -4.0182 -3.7235 -3.7233 -2.9767 -2.9728 -2.8378 -2.8263 -1.5902 -1.5859 -1.4912 -1.4831 0.1507 0.1511 0.2650 0.2661 5.1542 5.1763 5.4707 5.4921 6.0594 6.0761 6.2350 6.3052 k =-0.4909 0.4843 0.0000 ( 7236 PWs) bands (ev): -19.7198 -19.7197 -19.7175 -19.7175 -19.6858 -19.6857 -19.6828 -19.6828 -18.6957 -18.6954 -18.6932 -18.6930 -18.6620 -18.6618 -18.6546 -18.6544 -18.6455 -18.6454 -18.6410 -18.6408 -9.8868 -9.8866 -9.8063 -9.8062 -4.0089 -4.0073 -3.7000 -3.6999 -3.0142 -3.0122 -2.8299 -2.8239 -1.5930 -1.5908 -1.5193 -1.5150 0.1575 0.1577 0.2622 0.2627 5.1812 5.1932 5.4789 5.4907 6.0490 6.0582 6.2668 6.3124 k =-0.5000 0.4933 0.0000 ( 7240 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1946 5.1946 5.4860 5.4860 6.0487 6.0487 6.2968 6.2968 k =-0.5000 0.4933 0.0000 ( 7240 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1946 5.1946 5.4860 5.4860 6.0487 6.0487 6.2968 6.2968 k =-0.4933 0.5000-0.0000 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2600 0.2600 5.1944 5.1944 5.4809 5.4809 6.0492 6.0492 6.2981 6.2981 k =-0.4933 0.5000-0.0000 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2600 0.2600 5.1944 5.1944 5.4809 5.4809 6.0492 6.0492 6.2981 6.2981 k =-0.4933 0.5000 0.0123 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2600 0.2600 5.1943 5.1943 5.4807 5.4808 6.0495 6.0495 6.2979 6.2986 k =-0.4933 0.5000 0.0245 ( 7239 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2601 0.2601 5.1940 5.1941 5.4803 5.4804 6.0502 6.0502 6.2978 6.2993 k =-0.4933 0.5000 0.0368 ( 7237 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1605 0.1605 0.2601 0.2601 5.1935 5.1938 5.4796 5.4798 6.0513 6.0514 6.2981 6.3002 k =-0.4933 0.5000 0.0491 ( 7239 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1606 0.1606 0.2601 0.2601 5.1929 5.1933 5.4786 5.4790 6.0529 6.0529 6.2986 6.3012 k =-0.4933 0.5000 0.0613 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1606 0.1606 0.2601 0.2601 5.1923 5.1927 5.4776 5.4779 6.0548 6.0548 6.2992 6.3023 k =-0.4933 0.5000 0.0736 ( 7241 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1606 0.1606 0.2602 0.2602 5.1915 5.1920 5.4764 5.4767 6.0569 6.0569 6.3001 6.3034 k =-0.4933 0.5000 0.0859 ( 7235 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1607 0.1607 0.2602 0.2602 5.1908 5.1912 5.4751 5.4755 6.0591 6.0591 6.3011 6.3046 k =-0.4933 0.5000 0.0981 ( 7232 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1607 0.1607 0.2603 0.2603 5.1900 5.1904 5.4739 5.4743 6.0614 6.0614 6.3022 6.3056 k =-0.4933 0.5000 0.1104 ( 7230 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0066 -4.0066 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5264 -1.5264 0.1608 0.1608 0.2603 0.2603 5.1893 5.1897 5.4727 5.4731 6.0636 6.0636 6.3033 6.3065 k =-0.4933 0.5000 0.1227 ( 7226 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1608 0.1608 0.2604 0.2604 5.1887 5.1890 5.4717 5.4720 6.0655 6.0656 6.3045 6.3072 k =-0.4933 0.5000 0.1349 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1608 0.1608 0.2604 0.2604 5.1882 5.1884 5.4709 5.4711 6.0672 6.0672 6.3055 6.3077 k =-0.4933 0.5000 0.1472 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1878 5.1880 5.4702 5.4704 6.0685 6.0685 6.3064 6.3080 k =-0.4933 0.5000 0.1594 ( 7222 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1876 5.1877 5.4699 5.4700 6.0693 6.0693 6.3071 6.3080 k =-0.4933 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1876 5.1876 5.4698 5.4698 6.0696 6.0696 6.3077 6.3077 k =-0.4933 0.5000 0.1717 ( 7216 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6455 -18.6455 -18.6409 -18.6409 -9.8851 -9.8851 -9.8072 -9.8072 -4.0067 -4.0067 -3.6954 -3.6954 -3.0260 -3.0260 -2.8198 -2.8198 -1.5877 -1.5877 -1.5265 -1.5265 0.1609 0.1609 0.2604 0.2604 5.1876 5.1876 5.4698 5.4698 6.0696 6.0696 6.3077 6.3077 k =-0.5000 0.4933 0.1717 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1603 0.1603 0.2618 0.2618 5.1877 5.1877 5.4751 5.4751 6.0690 6.0690 6.3066 6.3066 k =-0.5000 0.4933 0.1717 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1603 0.1603 0.2618 0.2618 5.1877 5.1877 5.4751 5.4751 6.0690 6.0690 6.3066 6.3066 k =-0.5000 0.4933 0.1594 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1603 0.1603 0.2618 0.2618 5.1878 5.1879 5.4752 5.4752 6.0687 6.0687 6.3061 6.3069 k =-0.5000 0.4933 0.1472 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1602 0.1602 0.2618 0.2618 5.1880 5.1882 5.4755 5.4757 6.0679 6.0680 6.3053 6.3069 k =-0.5000 0.4933 0.1349 ( 7232 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1602 0.1602 0.2617 0.2617 5.1883 5.1886 5.4761 5.4764 6.0667 6.0667 6.3044 6.3066 k =-0.5000 0.4933 0.1227 ( 7224 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1602 0.1602 0.2617 0.2617 5.1889 5.1892 5.4770 5.4772 6.0650 6.0650 6.3033 6.3061 k =-0.5000 0.4933 0.1104 ( 7232 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1601 0.1601 0.2617 0.2617 5.1895 5.1899 5.4780 5.4783 6.0630 6.0630 6.3022 6.3054 k =-0.5000 0.4933 0.0981 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1601 0.1601 0.2616 0.2616 5.1902 5.1906 5.4791 5.4795 6.0608 6.0608 6.3010 6.3044 k =-0.5000 0.4933 0.0859 ( 7230 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1601 0.1601 0.2616 0.2616 5.1910 5.1914 5.4803 5.4807 6.0586 6.0586 6.2999 6.3033 k =-0.5000 0.4933 0.0736 ( 7234 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1600 0.1600 0.2615 0.2616 5.1917 5.1922 5.4815 5.4819 6.0563 6.0563 6.2989 6.3022 k =-0.5000 0.4933 0.0613 ( 7240 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1600 0.1600 0.2615 0.2615 5.1925 5.1929 5.4827 5.4830 6.0542 6.0542 6.2980 6.3010 k =-0.5000 0.4933 0.0491 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2615 0.2615 5.1932 5.1935 5.4838 5.4841 6.0523 6.0523 6.2973 6.2999 k =-0.5000 0.4933 0.0368 ( 7238 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1937 5.1940 5.4847 5.4849 6.0508 6.0508 6.2968 6.2989 k =-0.5000 0.4933 0.0245 ( 7242 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1942 5.1944 5.4854 5.4855 6.0496 6.0496 6.2965 6.2980 k =-0.5000 0.4933 0.0123 ( 7254 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1945 5.1946 5.4858 5.4859 6.0489 6.0489 6.2965 6.2973 k =-0.5000 0.4933 0.0000 ( 7240 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5932 -1.5932 -1.5272 -1.5272 0.1599 0.1599 0.2614 0.2614 5.1946 5.1946 5.4860 5.4860 6.0487 6.0487 6.2968 6.2968 k = 0.0000 0.0000 0.1717 ( 7290 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7180 -19.6885 -19.6885 -19.6869 -19.6869 -18.6916 -18.6916 -18.6912 -18.6912 -18.6669 -18.6669 -18.6586 -18.6586 -18.6505 -18.6505 -18.6441 -18.6441 -11.3672 -11.3672 -9.9609 -9.9609 -4.2260 -4.2260 -2.2755 -2.2755 -1.8943 -1.8943 -1.2454 -1.2454 -1.0268 -1.0268 -0.0026 -0.0026 0.2049 0.2049 1.9374 1.9374 2.9422 2.9422 5.5793 5.5793 5.9182 5.9182 6.1200 6.1200 k =-0.0091 0.0090 0.1717 ( 7300 PWs) bands (ev): -19.7199 -19.7199 -19.7180 -19.7179 -19.6886 -19.6885 -19.6869 -19.6868 -18.6917 -18.6915 -18.6912 -18.6911 -18.6670 -18.6667 -18.6587 -18.6585 -18.6506 -18.6504 -18.6442 -18.6440 -11.3663 -11.3662 -9.9607 -9.9605 -4.2292 -4.2290 -2.2799 -2.2796 -1.8959 -1.8952 -1.2488 -1.2450 -1.0241 -1.0195 -0.0053 -0.0012 0.2093 0.2152 1.9360 1.9360 2.9438 2.9442 5.5784 5.5791 5.9183 5.9232 6.1183 6.1225 k =-0.0182 0.0179 0.1717 ( 7302 PWs) bands (ev): -19.7199 -19.7199 -19.7181 -19.7178 -19.6887 -19.6884 -19.6868 -19.6868 -18.6918 -18.6914 -18.6912 -18.6910 -18.6671 -18.6665 -18.6587 -18.6585 -18.6507 -18.6503 -18.6442 -18.6440 -11.3635 -11.3633 -9.9599 -9.9596 -4.2385 -4.2381 -2.2930 -2.2924 -1.8997 -1.8982 -1.2550 -1.2481 -1.0108 -1.0024 -0.0092 -0.0022 0.2290 0.2397 1.9319 1.9320 2.9488 2.9497 5.5764 5.5778 5.9232 5.9331 6.1168 6.1258 k =-0.0273 0.0269 0.1717 ( 7300 PWs) bands (ev): -19.7199 -19.7199 -19.7181 -19.7177 -19.6887 -19.6883 -19.6868 -19.6868 -18.6919 -18.6913 -18.6912 -18.6910 -18.6673 -18.6663 -18.6587 -18.6584 -18.6507 -18.6502 -18.6443 -18.6439 -11.3588 -11.3586 -9.9585 -9.9580 -4.2537 -4.2531 -2.3152 -2.3144 -1.9042 -1.9020 -1.2643 -1.2556 -0.9865 -0.9756 -0.0150 -0.0067 0.2644 0.2781 1.9251 1.9254 2.9574 2.9588 5.5729 5.5748 5.9326 5.9479 6.1140 6.1298 k =-0.0364 0.0359 0.1717 ( 7308 PWs) bands (ev): -19.7199 -19.7199 -19.7182 -19.7177 -19.6888 -19.6882 -19.6868 -19.6868 -18.6919 -18.6913 -18.6911 -18.6909 -18.6674 -18.6662 -18.6588 -18.6583 -18.6508 -18.6501 -18.6445 -18.6439 -11.3523 -11.3520 -9.9566 -9.9559 -4.2743 -4.2735 -2.3467 -2.3458 -1.9078 -1.9051 -1.2770 -1.2677 -0.9512 -0.9390 -0.0235 -0.0154 0.3147 0.3300 1.9158 1.9162 2.9695 2.9714 5.5670 5.5689 5.9460 5.9671 6.1071 6.1333 k =-0.0455 0.0448 0.1717 ( 7298 PWs) bands (ev): -19.7199 -19.7199 -19.7182 -19.7176 -19.6888 -19.6881 -19.6868 -19.6867 -18.6919 -18.6913 -18.6909 -18.6908 -18.6675 -18.6660 -18.6588 -18.6582 -18.6509 -18.6500 -18.6446 -18.6439 -11.3440 -11.3436 -9.9541 -9.9532 -4.2998 -4.2988 -2.3875 -2.3865 -1.9091 -1.9059 -1.2934 -1.2844 -0.9054 -0.8928 -0.0351 -0.0282 0.3780 0.3939 1.9040 1.9044 2.9853 2.9875 5.5572 5.5586 5.9626 5.9901 6.0903 6.1336 k =-0.0545 0.0538 0.1717 ( 7294 PWs) bands (ev): -19.7199 -19.7198 -19.7182 -19.7175 -19.6888 -19.6880 -19.6867 -19.6867 -18.6920 -18.6913 -18.6908 -18.6907 -18.6676 -18.6658 -18.6588 -18.6581 -18.6509 -18.6499 -18.6447 -18.6439 -11.3337 -11.3333 -9.9510 -9.9500 -4.3296 -4.3284 -2.4369 -2.4359 -1.9071 -1.9037 -1.3137 -1.3056 -0.8500 -0.8376 -0.0501 -0.0448 0.4523 0.4682 1.8898 1.8903 3.0046 3.0073 5.5408 5.5411 5.9814 6.0153 6.0573 6.1225 k =-0.0636 0.0628 0.1717 ( 7298 PWs) bands (ev): -19.7199 -19.7198 -19.7182 -19.7174 -19.6889 -19.6879 -19.6867 -19.6866 -18.6920 -18.6912 -18.6906 -18.6905 -18.6677 -18.6656 -18.6588 -18.6580 -18.6510 -18.6498 -18.6449 -18.6439 -11.3217 -11.3212 -9.9475 -9.9463 -4.3629 -4.3615 -2.4938 -2.4929 -1.9015 -1.8979 -1.3377 -1.3308 -0.7859 -0.7740 -0.0683 -0.0649 0.5352 0.5510 1.8733 1.8740 3.0275 3.0306 5.5112 5.5149 6.0007 6.0045 6.0463 6.0862 k =-0.0727 0.0718 0.1717 ( 7294 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7172 -19.6889 -19.6878 -19.6866 -19.6866 -18.6920 -18.6912 -18.6904 -18.6904 -18.6678 -18.6653 -18.6588 -18.6578 -18.6510 -18.6496 -18.6450 -18.6440 -11.3078 -11.3072 -9.9435 -9.9421 -4.3990 -4.3975 -2.5569 -2.5560 -1.8924 -1.8885 -1.3653 -1.3597 -0.7142 -0.7029 -0.0896 -0.0881 0.6248 0.6404 1.8549 1.8557 3.0540 3.0576 5.4643 5.4734 5.9524 6.0175 6.0283 6.0726 k =-0.0818 0.0807 0.1717 ( 7302 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7171 -19.6889 -19.6877 -19.6866 -19.6865 -18.6920 -18.6912 -18.6903 -18.6901 -18.6679 -18.6651 -18.6588 -18.6577 -18.6510 -18.6495 -18.6452 -18.6440 -11.2922 -11.2915 -9.9390 -9.9375 -4.4373 -4.4356 -2.6247 -2.6240 -1.8798 -1.8757 -1.3962 -1.3920 -0.6358 -0.6253 -0.1142 -0.1138 0.7190 0.7343 1.8346 1.8356 3.0841 3.0881 5.3961 5.4114 5.9077 5.9659 6.0333 6.0966 k =-0.0909 0.0897 0.1717 ( 7302 PWs) bands (ev): -19.7198 -19.7197 -19.7182 -19.7170 -19.6889 -19.6876 -19.6865 -19.6864 -18.6920 -18.6911 -18.6901 -18.6899 -18.6679 -18.6649 -18.6588 -18.6576 -18.6511 -18.6494 -18.6454 -18.6440 -11.2747 -11.2740 -9.9341 -9.9324 -4.4771 -4.4753 -2.6961 -2.6954 -1.8641 -1.8597 -1.4303 -1.4273 -0.5519 -0.5420 -0.1430 -0.1407 0.8159 0.8310 1.8127 1.8139 3.1179 3.1223 5.3068 5.3268 5.8762 5.9173 6.0399 6.1135 k =-0.1000 0.0987 0.1717 ( 7302 PWs) bands (ev): -19.7198 -19.7196 -19.7181 -19.7169 -19.6889 -19.6875 -19.6865 -19.6863 -18.6919 -18.6911 -18.6899 -18.6897 -18.6680 -18.6647 -18.6588 -18.6574 -18.6511 -18.6492 -18.6456 -18.6441 -11.2555 -11.2547 -9.9288 -9.9269 -4.5177 -4.5157 -2.7699 -2.7693 -1.8456 -1.8409 -1.4671 -1.4653 -0.4633 -0.4541 -0.1742 -0.1700 0.9135 0.9283 1.7896 1.7910 3.1552 3.1600 5.2013 5.2230 5.8568 5.8826 6.0350 6.1171 k =-0.1091 0.1076 0.1717 ( 7322 PWs) bands (ev): -19.7197 -19.7195 -19.7181 -19.7168 -19.6889 -19.6874 -19.6864 -19.6862 -18.6919 -18.6911 -18.6898 -18.6895 -18.6680 -18.6644 -18.6588 -18.6572 -18.6511 -18.6490 -18.6458 -18.6441 -11.2346 -11.2337 -9.9231 -9.9212 -4.5585 -4.5565 -2.8452 -2.8446 -1.8246 -1.8195 -1.5064 -1.5056 -0.3714 -0.3626 -0.2077 -0.2015 1.0096 1.0243 1.7655 1.7672 3.1960 3.2011 5.0860 5.1068 5.8454 5.8568 6.0142 6.0988 k =-0.1182 0.1166 0.1717 ( 7334 PWs) bands (ev): -19.7197 -19.7195 -19.7180 -19.7166 -19.6889 -19.6873 -19.6863 -19.6861 -18.6919 -18.6910 -18.6896 -18.6892 -18.6680 -18.6642 -18.6588 -18.6571 -18.6510 -18.6489 -18.6460 -18.6441 -11.2120 -11.2111 -9.9172 -9.9151 -4.5990 -4.5969 -2.9212 -2.9206 -1.8014 -1.7957 -1.5478 -1.5478 -0.2786 -0.2689 -0.2429 -0.2333 1.1021 1.1167 1.7409 1.7430 3.2401 3.2456 4.9671 4.9852 5.8298 5.8367 5.9774 6.0498 k =-0.1273 0.1256 0.1717 ( 7320 PWs) bands (ev): -19.7197 -19.7194 -19.7180 -19.7165 -19.6889 -19.6872 -19.6862 -19.6860 -18.6918 -18.6910 -18.6895 -18.6890 -18.6680 -18.6640 -18.6588 -18.6569 -18.6510 -18.6487 -18.6462 -18.6442 -11.1877 -11.1867 -9.9110 -9.9087 -4.6387 -4.6365 -2.9973 -2.9967 -1.7768 -1.7702 -1.5912 -1.5907 -0.2811 -0.2732 -0.1782 -0.1725 1.1884 1.2029 1.7163 1.7187 3.2876 3.2933 4.8498 4.8644 5.7816 5.8188 5.9383 5.9747 k =-0.1364 0.1345 0.1717 ( 7312 PWs) bands (ev): -19.7197 -19.7194 -19.7179 -19.7164 -19.6888 -19.6870 -19.6861 -19.6859 -18.6918 -18.6909 -18.6893 -18.6887 -18.6680 -18.6638 -18.6588 -18.6567 -18.6510 -18.6485 -18.6464 -18.6442 -11.1618 -11.1607 -9.9046 -9.9022 -4.6772 -4.6748 -3.0729 -3.0723 -1.7525 -1.7441 -1.6337 -1.6336 -0.3203 -0.3099 -0.0823 -0.0765 1.2659 1.2802 1.6920 1.6949 3.3380 3.3439 4.7389 4.7497 5.6926 5.7543 5.9156 5.9161 k =-0.1455 0.1435 0.1717 ( 7308 PWs) bands (ev): -19.7197 -19.7193 -19.7178 -19.7163 -19.6888 -19.6869 -19.6860 -19.6858 -18.6918 -18.6909 -18.6892 -18.6885 -18.6680 -18.6635 -18.6588 -18.6565 -18.6509 -18.6484 -18.6466 -18.6443 -11.1343 -11.1332 -9.8980 -9.8955 -4.7139 -4.7115 -3.1476 -3.1469 -1.7376 -1.7256 -1.6685 -1.6663 -0.3610 -0.3487 0.0133 0.0187 1.3316 1.3456 1.6687 1.6722 3.3911 3.3970 4.6386 4.6458 5.5693 5.6269 5.8996 5.9095 k =-0.1545 0.1525 0.1717 ( 7294 PWs) bands (ev): -19.7197 -19.7193 -19.7178 -19.7162 -19.6888 -19.6868 -19.6859 -19.6857 -18.6918 -18.6909 -18.6890 -18.6883 -18.6680 -18.6633 -18.6588 -18.6563 -18.6509 -18.6482 -18.6469 -18.6443 -11.1053 -11.1041 -9.8914 -9.8888 -4.7486 -4.7462 -3.2210 -3.2203 -1.7579 -1.7468 -1.6631 -1.6631 -0.4030 -0.3889 0.1067 0.1116 1.3824 1.3959 1.6469 1.6510 3.4464 3.4521 4.5531 4.5570 5.4260 5.4725 5.9004 5.9104 k =-0.1636 0.1614 0.1717 ( 7296 PWs) bands (ev): -19.7197 -19.7192 -19.7177 -19.7161 -19.6887 -19.6867 -19.6858 -19.6856 -18.6917 -18.6909 -18.6889 -18.6881 -18.6680 -18.6631 -18.6588 -18.6561 -18.6508 -18.6480 -18.6471 -18.6443 -11.0748 -11.0735 -9.8847 -9.8819 -4.7810 -4.7784 -3.2928 -3.2920 -1.8011 -1.7913 -1.6363 -1.6336 -0.4462 -0.4301 0.1963 0.2007 1.4154 1.4281 1.6273 1.6320 3.5032 3.5085 4.4858 4.4870 5.2729 5.3094 5.9062 5.9149 k =-0.1727 0.1704 0.1717 ( 7298 PWs) bands (ev): -19.7197 -19.7192 -19.7176 -19.7160 -19.6887 -19.6866 -19.6857 -19.6855 -18.6917 -18.6909 -18.6888 -18.6879 -18.6679 -18.6629 -18.6588 -18.6559 -18.6507 -18.6478 -18.6472 -18.6444 -11.0429 -11.0415 -9.8780 -9.8751 -4.8106 -4.8081 -3.3628 -3.3618 -1.8498 -1.8401 -1.6031 -1.5990 -0.4902 -0.4723 0.2806 0.2845 1.4282 1.4395 1.6106 1.6156 3.5605 3.5647 4.4385 4.4396 5.1174 5.1465 5.9139 5.9211 k =-0.1818 0.1794 0.1717 ( 7286 PWs) bands (ev): -19.7197 -19.7191 -19.7175 -19.7159 -19.6886 -19.6865 -19.6856 -19.6853 -18.6917 -18.6909 -18.6887 -18.6877 -18.6678 -18.6628 -18.6588 -18.6557 -18.6506 -18.6476 -18.6474 -18.6444 -11.0096 -11.0082 -9.8713 -9.8684 -4.8373 -4.8347 -3.4305 -3.4294 -1.9004 -1.8903 -1.5673 -1.5621 -0.5350 -0.5150 0.3577 0.3611 1.4189 1.4279 1.5981 1.6029 3.6164 3.6188 4.4132 4.4160 4.9661 4.9903 5.9222 5.9282 k =-0.1909 0.1884 0.1717 ( 7286 PWs) bands (ev): -19.7197 -19.7191 -19.7174 -19.7158 -19.6885 -19.6864 -19.6855 -19.6852 -18.6917 -18.6909 -18.6886 -18.6875 -18.6677 -18.6626 -18.6588 -18.6555 -18.6504 -18.6476 -18.6474 -18.6444 -10.9749 -10.9735 -9.8647 -9.8617 -4.8609 -4.8583 -3.4959 -3.4947 -1.9518 -1.9412 -1.5298 -1.5236 -0.5803 -0.5581 0.4259 0.4288 1.3864 1.3923 1.5906 1.5950 3.6673 3.6677 4.4106 4.4146 4.8264 4.8484 5.9305 5.9356 k =-0.2000 0.1973 0.1717 ( 7280 PWs) bands (ev): -19.7197 -19.7190 -19.7173 -19.7157 -19.6885 -19.6863 -19.6854 -19.6851 -18.6917 -18.6910 -18.6885 -18.6874 -18.6676 -18.6625 -18.6588 -18.6553 -18.6503 -18.6477 -18.6472 -18.6444 -10.9391 -10.9376 -9.8583 -9.8553 -4.8810 -4.8784 -3.5588 -3.5575 -2.0037 -1.9924 -1.4911 -1.4839 -0.6258 -0.6014 0.4836 0.4861 1.3310 1.3337 1.5884 1.5923 3.7043 3.7090 4.4279 4.4330 4.7084 4.7306 5.9386 5.9430 k =-0.2091 0.2063 0.1717 ( 7276 PWs) bands (ev): -19.7197 -19.7190 -19.7173 -19.7157 -19.6884 -19.6862 -19.6853 -19.6849 -18.6917 -18.6910 -18.6885 -18.6873 -18.6675 -18.6623 -18.6588 -18.6552 -18.6501 -18.6478 -18.6470 -18.6444 -10.9021 -10.9006 -9.8521 -9.8490 -4.8976 -4.8951 -3.6190 -3.6175 -2.0556 -2.0436 -1.4518 -1.4434 -0.6715 -0.6445 0.5298 0.5319 1.2543 1.2549 1.5904 1.5940 3.7215 3.7322 4.4577 4.4647 4.6284 4.6523 5.9464 5.9503 k =-0.2182 0.2153 0.1717 ( 7280 PWs) bands (ev): -19.7197 -19.7190 -19.7172 -19.7156 -19.6883 -19.6861 -19.6852 -19.6848 -18.6918 -18.6911 -18.6885 -18.6872 -18.6673 -18.6622 -18.6587 -18.6550 -18.6500 -18.6479 -18.6468 -18.6443 -10.8641 -10.8625 -9.8462 -9.8430 -4.9105 -4.9080 -3.6763 -3.6747 -2.1073 -2.0947 -1.4122 -1.4025 -0.7169 -0.6872 0.5637 0.5655 1.1573 1.1610 1.5948 1.5983 3.7113 3.7286 4.4837 4.4976 4.6110 4.6328 5.9541 5.9578 k =-0.2273 0.2242 0.1717 ( 7282 PWs) bands (ev): -19.7198 -19.7190 -19.7171 -19.7156 -19.6882 -19.6861 -19.6851 -19.6847 -18.6918 -18.6912 -18.6885 -18.6871 -18.6672 -18.6621 -18.6587 -18.6548 -18.6498 -18.6480 -18.6466 -18.6443 -10.8250 -10.8234 -9.8405 -9.8373 -4.9195 -4.9171 -3.7307 -3.7289 -2.1586 -2.1453 -1.3729 -1.3617 -0.7619 -0.7291 0.5856 0.5874 1.0458 1.0526 1.5986 1.6019 3.6734 3.6963 4.5073 4.5305 4.6563 4.6732 5.9619 5.9657 k =-0.2364 0.2332 0.1717 ( 7274 PWs) bands (ev): -19.7198 -19.7189 -19.7171 -19.7155 -19.6882 -19.6860 -19.6850 -19.6846 -18.6918 -18.6913 -18.6885 -18.6871 -18.6670 -18.6620 -18.6587 -18.6547 -18.6495 -18.6480 -18.6464 -18.6442 -10.7851 -10.7834 -9.8351 -9.8319 -4.9246 -4.9223 -3.7819 -3.7799 -2.2094 -2.1954 -1.3347 -1.3217 -0.8059 -0.7697 0.5963 0.5981 0.9232 0.9329 1.5979 1.6008 3.6175 3.6440 4.5518 4.5806 4.7315 4.7462 5.9704 5.9748 k =-0.2455 0.2422 0.1717 ( 7270 PWs) bands (ev): -19.7198 -19.7189 -19.7170 -19.7155 -19.6881 -19.6859 -19.6849 -19.6844 -18.6919 -18.6915 -18.6885 -18.6871 -18.6668 -18.6619 -18.6587 -18.6546 -18.6493 -18.6480 -18.6463 -18.6441 -10.7444 -10.7426 -9.8301 -9.8268 -4.9257 -4.9235 -3.8298 -3.8277 -2.2594 -2.2448 -1.2986 -1.2834 -0.8485 -0.8084 0.5969 0.5991 0.7928 0.8050 1.5882 1.5904 3.5575 3.5860 4.6198 4.6518 4.8194 4.8334 5.9806 5.9859 k =-0.2545 0.2511 0.1717 ( 7274 PWs) bands (ev): -19.7198 -19.7189 -19.7169 -19.7155 -19.6880 -19.6858 -19.6848 -19.6843 -18.6919 -18.6916 -18.6886 -18.6871 -18.6666 -18.6619 -18.6586 -18.6544 -18.6491 -18.6479 -18.6462 -18.6440 -10.7030 -10.7012 -9.8255 -9.8222 -4.9227 -4.9206 -3.8744 -3.8722 -2.3085 -2.2932 -1.2658 -1.2483 -0.8888 -0.8446 0.5874 0.5916 0.6587 0.6719 1.5651 1.5661 3.5054 3.5349 4.7051 4.7395 4.9126 4.9267 5.9938 6.0004 k =-0.2636 0.2601 0.1717 ( 7262 PWs) bands (ev): -19.7199 -19.7189 -19.7169 -19.7155 -19.6879 -19.6858 -19.6847 -19.6842 -18.6920 -18.6918 -18.6887 -18.6871 -18.6664 -18.6618 -18.6586 -18.6544 -18.6488 -18.6478 -18.6460 -18.6439 -10.6610 -10.6592 -9.8212 -9.8180 -4.9155 -4.9136 -3.9155 -3.9131 -2.3566 -2.3406 -1.2383 -1.2187 -0.9252 -0.8770 0.5134 0.5358 0.5775 0.5793 1.5246 1.5251 3.4694 3.4991 4.8023 4.8388 5.0061 5.0208 6.0114 6.0201 k =-0.2727 0.2691 0.1717 ( 7266 PWs) bands (ev): -19.7199 -19.7189 -19.7169 -19.7155 -19.6878 -19.6857 -19.6846 -19.6841 -18.6921 -18.6920 -18.6889 -18.6872 -18.6662 -18.6618 -18.6585 -18.6543 -18.6486 -18.6477 -18.6459 -18.6437 -10.6187 -10.6168 -9.8174 -9.8141 -4.9042 -4.9025 -3.9530 -3.9505 -2.4035 -2.3868 -1.2184 -1.1981 -0.9555 -0.9048 0.3773 0.4004 0.5563 0.5567 1.4643 1.4667 3.4536 3.4831 4.9074 4.9463 5.0956 5.1111 6.0354 6.0468 k =-0.2818 0.2780 0.1717 ( 7274 PWs) bands (ev): -19.7199 -19.7189 -19.7168 -19.7156 -19.6877 -19.6857 -19.6845 -19.6840 -18.6922 -18.6922 -18.6890 -18.6873 -18.6660 -18.6617 -18.6585 -18.6542 -18.6484 -18.6475 -18.6458 -18.6435 -10.5760 -10.5742 -9.8140 -9.8107 -4.8888 -4.8874 -3.9868 -3.9842 -2.4490 -2.4316 -1.2085 -1.1910 -0.9768 -0.9274 0.2431 0.2681 0.5295 0.5307 1.3860 1.3905 3.4591 3.4880 5.0176 5.0594 5.1770 5.1933 6.0675 6.0825 k =-0.2909 0.2870 0.1717 ( 7254 PWs) bands (ev): -19.7199 -19.7189 -19.7168 -19.7156 -19.6876 -19.6856 -19.6844 -19.6839 -18.6924 -18.6923 -18.6892 -18.6874 -18.6657 -18.6617 -18.6584 -18.6542 -18.6482 -18.6472 -18.6458 -18.6433 -10.5332 -10.5313 -9.8109 -9.8078 -4.8693 -4.8681 -4.0168 -4.0141 -2.4931 -2.4750 -1.2099 -1.2002 -0.9889 -0.9461 0.1159 0.1427 0.4980 0.4996 1.2922 1.2990 3.4846 3.5127 5.1308 5.1761 5.2474 5.2643 6.1088 6.1286 k =-0.3000 0.2960 0.1717 ( 7256 PWs) bands (ev): -19.7200 -19.7189 -19.7168 -19.7156 -19.6875 -19.6856 -19.6843 -19.6837 -18.6927 -18.6924 -18.6894 -18.6876 -18.6655 -18.6616 -18.6583 -18.6542 -18.6480 -18.6470 -18.6457 -18.6431 -10.4903 -10.4884 -9.8084 -9.8052 -4.8457 -4.8449 -4.0430 -4.0401 -2.5355 -2.5167 -1.2239 -1.2221 -0.9970 -0.9656 0.0008 0.0282 0.4612 0.4633 1.1869 1.1958 3.5273 3.5548 5.2442 5.2936 5.3056 5.3231 6.1587 6.1850 k =-0.3091 0.3050 0.1717 ( 7258 PWs) bands (ev): -19.7200 -19.7190 -19.7168 -19.7157 -19.6874 -19.6856 -19.6842 -19.6836 -18.6929 -18.6925 -18.6896 -18.6878 -18.6653 -18.6616 -18.6581 -18.6542 -18.6478 -18.6466 -18.6456 -18.6429 -10.4476 -10.4457 -9.8062 -9.8031 -4.8182 -4.8178 -4.0651 -4.0621 -2.5762 -2.5567 -1.2580 -1.2430 -1.0096 -0.9928 -0.0965 -0.0701 0.4182 0.4206 1.0749 1.0857 3.5844 3.6112 5.3375 5.3631 5.3699 5.4166 6.2143 6.2499 k =-0.3182 0.3139 0.1717 ( 7258 PWs) bands (ev): -19.7200 -19.7190 -19.7168 -19.7158 -19.6873 -19.6855 -19.6841 -19.6835 -18.6931 -18.6926 -18.6899 -18.6880 -18.6650 -18.6616 -18.6580 -18.6541 -18.6477 -18.6463 -18.6456 -18.6427 -10.4052 -10.4033 -9.8044 -9.8014 -4.7870 -4.7869 -4.0831 -4.0801 -2.6151 -2.5947 -1.2997 -1.2704 -1.0347 -1.0339 -0.1707 -0.1473 0.3674 0.3700 0.9614 0.9738 3.6528 3.6793 5.3742 5.3949 5.4763 5.5343 6.2701 6.3197 k =-0.3273 0.3229 0.1717 ( 7246 PWs) bands (ev): -19.7201 -19.7190 -19.7168 -19.7158 -19.6872 -19.6855 -19.6840 -19.6835 -18.6934 -18.6928 -18.6902 -18.6882 -18.6648 -18.6616 -18.6578 -18.6541 -18.6475 -18.6459 -18.6455 -18.6425 -10.3633 -10.3614 -9.8029 -9.8001 -4.7525 -4.7521 -4.0970 -4.0939 -2.6519 -2.6308 -1.3487 -1.3036 -1.0946 -1.0732 -0.2189 -0.2001 0.3064 0.3088 0.8522 0.8655 3.7302 3.7564 5.3958 5.4158 5.5834 5.6497 6.3195 6.3897 k =-0.3364 0.3319 0.1717 ( 7234 PWs) bands (ev): -19.7201 -19.7190 -19.7168 -19.7159 -19.6871 -19.6855 -19.6839 -19.6834 -18.6936 -18.6929 -18.6905 -18.6884 -18.6646 -18.6615 -18.6577 -18.6541 -18.6474 -18.6456 -18.6455 -18.6423 -10.3220 -10.3201 -9.8019 -9.7991 -4.7146 -4.7137 -4.1066 -4.1035 -2.6865 -2.6646 -1.4064 -1.3446 -1.1690 -1.1254 -0.2422 -0.2289 0.2323 0.2340 0.7529 0.7663 3.8145 3.8406 5.4091 5.4288 5.6844 5.7603 6.3563 6.4535 k =-0.3455 0.3408 0.1717 ( 7246 PWs) bands (ev): -19.7201 -19.7191 -19.7168 -19.7160 -19.6870 -19.6855 -19.6838 -19.6833 -18.6939 -18.6930 -18.6908 -18.6887 -18.6644 -18.6615 -18.6575 -18.6541 -18.6472 -18.6455 -18.6452 -18.6421 -10.2815 -10.2797 -9.8011 -9.7985 -4.6735 -4.6721 -4.1119 -4.1087 -2.7189 -2.6962 -1.4756 -1.4005 -1.2458 -1.1841 -0.2456 -0.2377 0.1433 0.1440 0.6675 0.6802 3.9038 3.9301 5.4167 5.4363 5.7766 5.8636 6.3775 6.4990 k =-0.3545 0.3498 0.1717 ( 7242 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7161 -19.6869 -19.6855 -19.6837 -19.6832 -18.6941 -18.6931 -18.6911 -18.6890 -18.6642 -18.6615 -18.6573 -18.6541 -18.6471 -18.6454 -18.6449 -18.6419 -10.2421 -10.2402 -9.8007 -9.7981 -4.6296 -4.6276 -4.1128 -4.1096 -2.7488 -2.7253 -1.5585 -1.4819 -1.3086 -1.2415 -0.2352 -0.2326 0.0404 0.0407 0.5972 0.6086 3.9969 4.0235 5.4204 5.4400 5.8574 5.9571 6.3845 6.5130 k =-0.3636 0.3588 0.1717 ( 7240 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7162 -19.6868 -19.6855 -19.6836 -19.6831 -18.6944 -18.6933 -18.6914 -18.6893 -18.6640 -18.6615 -18.6571 -18.6540 -18.6469 -18.6454 -18.6445 -18.6417 -10.2038 -10.2020 -9.8005 -9.7980 -4.5831 -4.5806 -4.1092 -4.1060 -2.7760 -2.7517 -1.6548 -1.5870 -1.3543 -1.2932 -0.2242 -0.2188 -0.0705 -0.0672 0.5403 0.5501 4.0926 4.1197 5.4216 5.4414 5.9250 6.0378 6.3819 6.5161 k =-0.3727 0.3677 0.1717 ( 7234 PWs) bands (ev): -19.7201 -19.7191 -19.7169 -19.7163 -19.6868 -19.6855 -19.6835 -19.6831 -18.6946 -18.6934 -18.6917 -18.6896 -18.6638 -18.6615 -18.6569 -18.6540 -18.6468 -18.6454 -18.6442 -18.6415 -10.1668 -10.1651 -9.8005 -9.7982 -4.5345 -4.5313 -4.1011 -4.0980 -2.8005 -2.7754 -1.7616 -1.7052 -1.3899 -1.3381 -0.2556 -0.2361 -0.1497 -0.1362 0.4937 0.5022 4.1900 4.2176 5.4215 5.4415 5.9784 6.1030 6.3746 6.5178 k =-0.3818 0.3767 0.1717 ( 7242 PWs) bands (ev): -19.7201 -19.7192 -19.7170 -19.7165 -19.6867 -19.6855 -19.6835 -19.6830 -18.6948 -18.6935 -18.6920 -18.6899 -18.6636 -18.6615 -18.6567 -18.6540 -18.6466 -18.6453 -18.6438 -18.6414 -10.1314 -10.1298 -9.8007 -9.7986 -4.4842 -4.4803 -4.0885 -4.0854 -2.8220 -2.7961 -1.8752 -1.8290 -1.4201 -1.3768 -0.3634 -0.3460 -0.1371 -0.1288 0.4550 0.4622 4.2880 4.3164 5.4209 5.4414 6.0183 6.1514 6.3652 6.5188 k =-0.3909 0.3857 0.1717 ( 7254 PWs) bands (ev): -19.7201 -19.7192 -19.7170 -19.7166 -19.6866 -19.6855 -19.6834 -19.6830 -18.6950 -18.6936 -18.6923 -18.6902 -18.6634 -18.6615 -18.6565 -18.6540 -18.6465 -18.6453 -18.6435 -18.6412 -10.0978 -10.0962 -9.8011 -9.7991 -4.4327 -4.4282 -4.0714 -4.0684 -2.8402 -2.8137 -1.9925 -1.9545 -1.4468 -1.4107 -0.4906 -0.4740 -0.1061 -0.1009 0.4220 0.4283 4.3860 4.4153 5.4203 5.4416 6.0465 6.1838 6.3542 6.5160 k =-0.4000 0.3946 0.1717 ( 7246 PWs) bands (ev): -19.7201 -19.7192 -19.7171 -19.7167 -19.6865 -19.6855 -19.6833 -19.6829 -18.6952 -18.6937 -18.6926 -18.6905 -18.6632 -18.6615 -18.6563 -18.6540 -18.6464 -18.6453 -18.6432 -18.6411 -10.0660 -10.0645 -9.8016 -9.7997 -4.3807 -4.3756 -4.0498 -4.0470 -2.8551 -2.8280 -2.1108 -2.0794 -1.4708 -1.4406 -0.6205 -0.6037 -0.0722 -0.0687 0.3936 0.3991 4.4830 4.5134 5.4204 5.4425 6.0660 6.2032 6.3403 6.4987 k =-0.4091 0.4036 0.1717 ( 7222 PWs) bands (ev): -19.7201 -19.7193 -19.7171 -19.7168 -19.6864 -19.6855 -19.6832 -19.6829 -18.6953 -18.6939 -18.6929 -18.6908 -18.6630 -18.6615 -18.6561 -18.6540 -18.6463 -18.6453 -18.6429 -18.6410 -10.0363 -10.0349 -9.8022 -9.8005 -4.3288 -4.3231 -4.0238 -4.0212 -2.8664 -2.8389 -2.2285 -2.2024 -1.4925 -1.4671 -0.7488 -0.7318 -0.0379 -0.0354 0.3689 0.3737 4.5782 4.6098 5.4213 5.4446 6.0795 6.2141 6.3214 6.4628 k =-0.4182 0.4126 0.1717 ( 7228 PWs) bands (ev): -19.7201 -19.7193 -19.7172 -19.7169 -19.6863 -19.6855 -19.6832 -19.6828 -18.6955 -18.6940 -18.6931 -18.6911 -18.6629 -18.6615 -18.6559 -18.6540 -18.6462 -18.6453 -18.6426 -18.6409 -10.0089 -10.0076 -9.8028 -9.8012 -4.2778 -4.2716 -3.9937 -3.9913 -2.8740 -2.8464 -2.3439 -2.3222 -1.5121 -1.4906 -0.8734 -0.8561 -0.0046 -0.0027 0.3474 0.3515 4.6707 4.7035 5.4233 5.4479 6.0897 6.2208 6.2962 6.4173 k =-0.4273 0.4216 0.1717 ( 7220 PWs) bands (ev): -19.7201 -19.7193 -19.7173 -19.7170 -19.6863 -19.6855 -19.6831 -19.6828 -18.6956 -18.6941 -18.6933 -18.6913 -18.6627 -18.6615 -18.6557 -18.6540 -18.6460 -18.6453 -18.6423 -18.6408 -9.9839 -9.9827 -9.8034 -9.8021 -4.2286 -4.2221 -3.9596 -3.9576 -2.8777 -2.8503 -2.4560 -2.4378 -1.5295 -1.5114 -0.9925 -0.9752 0.0269 0.0284 0.3286 0.3322 4.7595 4.7934 5.4265 5.4526 6.0986 6.2265 6.2651 6.3678 k =-0.4364 0.4305 0.1717 ( 7226 PWs) bands (ev): -19.7200 -19.7194 -19.7173 -19.7171 -19.6862 -19.6855 -19.6831 -19.6828 -18.6957 -18.6943 -18.6934 -18.6916 -18.6626 -18.6615 -18.6555 -18.6540 -18.6459 -18.6453 -18.6421 -18.6408 -9.9614 -9.9603 -9.8041 -9.8029 -4.1821 -4.1754 -3.9221 -3.9203 -2.8776 -2.8509 -2.5635 -2.5484 -1.5448 -1.5297 -1.1044 -1.0874 0.0561 0.0573 0.3123 0.3155 4.8434 4.8782 5.4307 5.4584 6.1078 6.2296 6.2335 6.3179 k =-0.4455 0.4395 0.1717 ( 7222 PWs) bands (ev): -19.7200 -19.7194 -19.7174 -19.7172 -19.6861 -19.6856 -19.6830 -19.6828 -18.6958 -18.6945 -18.6935 -18.6919 -18.6625 -18.6616 -18.6553 -18.6541 -18.6459 -18.6453 -18.6419 -18.6407 -9.9416 -9.9407 -9.8047 -9.8036 -4.1391 -4.1325 -3.8818 -3.8804 -2.8739 -2.8485 -2.6652 -2.6528 -1.5581 -1.5455 -1.2075 -1.1911 0.0824 0.0834 0.2985 0.3012 4.9212 4.9565 5.4359 5.4649 6.1183 6.1928 6.2429 6.2706 k =-0.4545 0.4485 0.1717 ( 7226 PWs) bands (ev): -19.7199 -19.7195 -19.7174 -19.7173 -19.6861 -19.6856 -19.6830 -19.6828 -18.6958 -18.6947 -18.6935 -18.6921 -18.6624 -18.6616 -18.6551 -18.6541 -18.6458 -18.6453 -18.6417 -18.6407 -9.9247 -9.9239 -9.8052 -9.8043 -4.1008 -4.0946 -3.8397 -3.8386 -2.8672 -2.8438 -2.7598 -2.7496 -1.5692 -1.5589 -1.2999 -1.2846 0.1054 0.1062 0.2869 0.2893 4.9917 5.0266 5.4417 5.4714 6.1288 6.1568 6.2302 6.2561 k =-0.4636 0.4574 0.1717 ( 7222 PWs) bands (ev): -19.7199 -19.7195 -19.7174 -19.7173 -19.6860 -19.6856 -19.6829 -19.6828 -18.6958 -18.6949 -18.6935 -18.6924 -18.6622 -18.6616 -18.6550 -18.6541 -18.6457 -18.6453 -18.6415 -18.6407 -9.9106 -9.9100 -9.8057 -9.8049 -4.0679 -4.0624 -3.7975 -3.7967 -2.8588 -2.8453 -2.8375 -2.8364 -1.5783 -1.5701 -1.3795 -1.3659 0.1247 0.1254 0.2776 0.2795 5.0536 5.0866 5.4480 5.4771 6.1244 6.1316 6.2071 6.2736 k =-0.4727 0.4664 0.1717 ( 7226 PWs) bands (ev): -19.7199 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6958 -18.6951 -18.6934 -18.6926 -18.6621 -18.6617 -18.6548 -18.6542 -18.6456 -18.6453 -18.6413 -18.6407 -9.8996 -9.8991 -9.8060 -9.8055 -4.0412 -4.0367 -3.7575 -3.7571 -2.9188 -2.9131 -2.8475 -2.8313 -1.5853 -1.5791 -1.4440 -1.4328 0.1400 0.1406 0.2704 0.2719 5.1055 5.1343 5.4546 5.4809 6.0978 6.1166 6.2135 6.2949 k =-0.4818 0.4754 0.1717 ( 7224 PWs) bands (ev): -19.7198 -19.7196 -19.7175 -19.7174 -19.6859 -19.6857 -19.6829 -19.6828 -18.6957 -18.6953 -18.6933 -18.6928 -18.6620 -18.6617 -18.6547 -18.6543 -18.6456 -18.6454 -18.6412 -18.6408 -9.8916 -9.8913 -9.8062 -9.8059 -4.0214 -4.0182 -3.7235 -3.7233 -2.9767 -2.9728 -2.8378 -2.8263 -1.5903 -1.5860 -1.4913 -1.4831 0.1511 0.1515 0.2654 0.2665 5.1462 5.1679 5.4615 5.4820 6.0790 6.0952 6.2390 6.3167 k =-0.4909 0.4843 0.1717 ( 7220 PWs) bands (ev): -19.7198 -19.7197 -19.7175 -19.7175 -19.6858 -19.6857 -19.6828 -19.6828 -18.6957 -18.6954 -18.6932 -18.6930 -18.6620 -18.6618 -18.6546 -18.6544 -18.6455 -18.6454 -18.6410 -18.6408 -9.8868 -9.8866 -9.8063 -9.8062 -4.0089 -4.0073 -3.7000 -3.6999 -3.0142 -3.0122 -2.8299 -2.8239 -1.5930 -1.5908 -1.5193 -1.5150 0.1579 0.1581 0.2626 0.2631 5.1740 5.1859 5.4686 5.4799 6.0692 6.0781 6.2724 6.3265 k =-0.5000 0.4933 0.1717 ( 7228 PWs) bands (ev): -19.7197 -19.7197 -19.7175 -19.7175 -19.6858 -19.6858 -19.6828 -19.6828 -18.6956 -18.6956 -18.6931 -18.6931 -18.6619 -18.6619 -18.6545 -18.6545 -18.6454 -18.6454 -18.6409 -18.6409 -9.8851 -9.8851 -9.8063 -9.8063 -4.0042 -4.0042 -3.6915 -3.6915 -3.0267 -3.0267 -2.8251 -2.8251 -1.5933 -1.5933 -1.5273 -1.5273 0.1603 0.1603 0.2618 0.2618 5.1877 5.1877 5.4751 5.4751 6.0690 6.0690 6.3066 6.3066 Writing output data file SnS.save init_run : 2.96s CPU 13.38s WALL ( 1 calls) electrons : 701.54s CPU 708.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 701.50s CPU 708.09s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.64s WALL ( 1 calls) newd : 0.46s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 368 calls) cegterg : 657.33s CPU 661.20s WALL ( 758 calls) Called by sum_band: Called by *egterg: h_psi : 344.32s CPU 351.77s WALL ( 12282 calls) s_psi : 34.24s CPU 34.44s WALL ( 12282 calls) g_psi : 1.06s CPU 1.07s WALL ( 11156 calls) cdiaghg : 183.89s CPU 181.58s WALL ( 11524 calls) cegterg:over : 59.65s CPU 56.21s WALL ( 11156 calls) cegterg:upda : 16.37s CPU 20.08s WALL ( 11156 calls) cegterg:last : 12.73s CPU 13.48s WALL ( 1862 calls) Called by h_psi: h_psi:vloc : 278.07s CPU 284.03s WALL ( 12282 calls) h_psi:vnl : 65.84s CPU 66.76s WALL ( 12282 calls) add_vuspsi : 23.30s CPU 27.45s WALL ( 12282 calls) General routines calbec : 42.50s CPU 39.21s WALL ( 12282 calls) fft : 0.53s CPU 1.23s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 265.25s CPU 270.77s WALL ( 1109748 calls) interpolate : 0.20s CPU 0.22s WALL ( 4 calls) davcio : 0.02s CPU 1.83s WALL ( 736 calls) Parallel routines fft_scatter : 169.86s CPU 169.59s WALL ( 1109771 calls) PWSCF : 12m53.24s CPU 15m22.83s WALL This run was terminated on: 15: 9: 7 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=