Program PWSCF v.5.1.1 starts on 31May2015 at 14: 4:10 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: ./CrS2.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 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 27 11 3 2466 679 106 Max 28 12 4 2478 713 122 Sum 1299 559 163 118665 33347 5451 bravais-lattice index = 14 lattice parameter (alat) = 6.3707 a.u. unit-cell volume = 719.4588 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.370715 celldm(2)= 1.000000 celldm(3)= 3.173612 celldm(4)= 0.082860 celldm(5)= 0.082860 celldm(6)= 0.473324 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.473324 0.880888 0.000000 ) a(3) = ( 0.262965 0.157225 3.158788 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.537326 -0.056504 ) b(2) = ( 0.000000 1.135218 -0.056504 ) b(3) = ( 0.000000 0.000000 0.316577 ) PseudoPot. # 1 for Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d 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 1183 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 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 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) S 6.00 32.06500 S( 1.00) 2 Sym. Ops., with inversion, found 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0090909 0.0054354 -0.0010273), wk = 0.0023474 k( 3) = ( 0.0181818 0.0108708 -0.0020547), wk = 0.0023474 k( 4) = ( 0.0272727 0.0163061 -0.0030820), wk = 0.0023474 k( 5) = ( 0.0363636 0.0217415 -0.0041094), wk = 0.0023474 k( 6) = ( 0.0454546 0.0271769 -0.0051367), wk = 0.0023474 k( 7) = ( 0.0545455 0.0326123 -0.0061641), wk = 0.0023474 k( 8) = ( 0.0636364 0.0380477 -0.0071914), wk = 0.0023474 k( 9) = ( 0.0727273 0.0434830 -0.0082188), wk = 0.0023474 k( 10) = ( 0.0818182 0.0489184 -0.0092461), wk = 0.0023474 k( 11) = ( 0.0909091 0.0543538 -0.0102735), wk = 0.0023474 k( 12) = ( 0.1000000 0.0597892 -0.0113008), wk = 0.0023474 k( 13) = ( 0.1090909 0.0652246 -0.0123282), wk = 0.0023474 k( 14) = ( 0.1181818 0.0706599 -0.0133555), wk = 0.0023474 k( 15) = ( 0.1272727 0.0760953 -0.0143828), wk = 0.0023474 k( 16) = ( 0.1363636 0.0815307 -0.0154102), wk = 0.0023474 k( 17) = ( 0.1454545 0.0869661 -0.0164375), wk = 0.0023474 k( 18) = ( 0.1545455 0.0924015 -0.0174649), wk = 0.0023474 k( 19) = ( 0.1636364 0.0978368 -0.0184922), wk = 0.0023474 k( 20) = ( 0.1727273 0.1032722 -0.0195196), wk = 0.0023474 k( 21) = ( 0.1818182 0.1087076 -0.0205469), wk = 0.0023474 k( 22) = ( 0.1909091 0.1141430 -0.0215743), wk = 0.0023474 k( 23) = ( 0.2000000 0.1195784 -0.0226016), wk = 0.0023474 k( 24) = ( 0.2090909 0.1250137 -0.0236290), wk = 0.0023474 k( 25) = ( 0.2181818 0.1304491 -0.0246563), wk = 0.0023474 k( 26) = ( 0.2272727 0.1358845 -0.0256836), wk = 0.0023474 k( 27) = ( 0.2363636 0.1413199 -0.0267110), wk = 0.0023474 k( 28) = ( 0.2454545 0.1467553 -0.0277383), wk = 0.0023474 k( 29) = ( 0.2545455 0.1521906 -0.0287657), wk = 0.0023474 k( 30) = ( 0.2636364 0.1576260 -0.0297930), wk = 0.0023474 k( 31) = ( 0.2727273 0.1630614 -0.0308204), wk = 0.0023474 k( 32) = ( 0.2818182 0.1684968 -0.0318477), wk = 0.0023474 k( 33) = ( 0.2909091 0.1739322 -0.0328751), wk = 0.0023474 k( 34) = ( 0.3000000 0.1793675 -0.0339024), wk = 0.0023474 k( 35) = ( 0.3090909 0.1848029 -0.0349298), wk = 0.0023474 k( 36) = ( 0.3181818 0.1902383 -0.0359571), wk = 0.0023474 k( 37) = ( 0.3272727 0.1956737 -0.0369845), wk = 0.0023474 k( 38) = ( 0.3363636 0.2011091 -0.0380118), wk = 0.0023474 k( 39) = ( 0.3454546 0.2065445 -0.0390391), wk = 0.0023474 k( 40) = ( 0.3545454 0.2119798 -0.0400665), wk = 0.0023474 k( 41) = ( 0.3636364 0.2174152 -0.0410938), wk = 0.0023474 k( 42) = ( 0.3727273 0.2228506 -0.0421212), wk = 0.0023474 k( 43) = ( 0.3818182 0.2282860 -0.0431485), wk = 0.0023474 k( 44) = ( 0.3909091 0.2337213 -0.0441759), wk = 0.0023474 k( 45) = ( 0.4000000 0.2391567 -0.0452032), wk = 0.0023474 k( 46) = ( 0.4090909 0.2445921 -0.0462306), wk = 0.0023474 k( 47) = ( 0.4181818 0.2500275 -0.0472579), wk = 0.0023474 k( 48) = ( 0.4272727 0.2554629 -0.0482853), wk = 0.0023474 k( 49) = ( 0.4363636 0.2608983 -0.0493126), wk = 0.0023474 k( 50) = ( 0.4454546 0.2663336 -0.0503400), wk = 0.0023474 k( 51) = ( 0.4545455 0.2717690 -0.0513673), wk = 0.0023474 k( 52) = ( 0.4636364 0.2772044 -0.0523946), wk = 0.0023474 k( 53) = ( 0.4727273 0.2826398 -0.0534220), wk = 0.0023474 k( 54) = ( 0.4818182 0.2880752 -0.0544493), wk = 0.0023474 k( 55) = ( 0.4909091 0.2935105 -0.0554767), wk = 0.0023474 k( 56) = ( 0.5000000 0.2989459 -0.0565040), wk = 0.0023474 k( 57) = ( 0.5000000 0.2989459 -0.0565040), wk = 0.0023474 k( 58) = ( 0.5008473 0.2994525 -0.0463256), wk = 0.0023474 k( 59) = ( 0.5016947 0.2999592 -0.0361471), wk = 0.0023474 k( 60) = ( 0.5025420 0.3004658 -0.0259687), wk = 0.0023474 k( 61) = ( 0.5033894 0.3009724 -0.0157902), wk = 0.0023474 k( 62) = ( 0.5042367 0.3014790 -0.0056118), wk = 0.0023474 k( 63) = ( 0.5050841 0.3019856 0.0045667), wk = 0.0023474 k( 64) = ( 0.5059314 0.3024922 0.0147451), wk = 0.0023474 k( 65) = ( 0.5067787 0.3029989 0.0249236), wk = 0.0023474 k( 66) = ( 0.5076261 0.3035055 0.0351020), wk = 0.0023474 k( 67) = ( 0.5084734 0.3040121 0.0452805), wk = 0.0023474 k( 68) = ( 0.5084734 0.3040121 0.0452805), wk = 0.0023474 k( 69) = ( 0.5070612 0.3031677 0.0546978), wk = 0.0023474 k( 70) = ( 0.5056490 0.3023234 0.0641152), wk = 0.0023474 k( 71) = ( 0.5042367 0.3014790 0.0735325), wk = 0.0023474 k( 72) = ( 0.5028245 0.3006346 0.0829498), wk = 0.0023474 k( 73) = ( 0.5014122 0.2997903 0.0923672), wk = 0.0023474 k( 74) = ( 0.5000000 0.2989459 0.1017845), wk = 0.0023474 k( 75) = ( 0.5000000 0.2989459 0.1017845), wk = 0.0023474 k( 76) = ( 0.5054834 0.2897747 0.1017845), wk = 0.0023474 k( 77) = ( 0.5109667 0.2806036 0.1017845), wk = 0.0023474 k( 78) = ( 0.5164501 0.2714324 0.1017845), wk = 0.0023474 k( 79) = ( 0.5219335 0.2622612 0.1017845), wk = 0.0023474 k( 80) = ( 0.5274169 0.2530900 0.1017845), wk = 0.0023474 k( 81) = ( 0.5329002 0.2439189 0.1017845), wk = 0.0023474 k( 82) = ( 0.5383836 0.2347477 0.1017845), wk = 0.0023474 k( 83) = ( 0.5438670 0.2255765 0.1017845), wk = 0.0023474 k( 84) = ( 0.5493503 0.2164053 0.1017845), wk = 0.0023474 k( 85) = ( 0.5548337 0.2072342 0.1017845), wk = 0.0023474 k( 86) = ( 0.5603171 0.1980630 0.1017845), wk = 0.0023474 k( 87) = ( 0.5658005 0.1888918 0.1017845), wk = 0.0023474 k( 88) = ( 0.5712838 0.1797206 0.1017845), wk = 0.0023474 k( 89) = ( 0.5767672 0.1705494 0.1017845), wk = 0.0023474 k( 90) = ( 0.5822506 0.1613783 0.1017845), wk = 0.0023474 k( 91) = ( 0.5877339 0.1522071 0.1017845), wk = 0.0023474 k( 92) = ( 0.5932173 0.1430359 0.1017845), wk = 0.0023474 k( 93) = ( 0.5987007 0.1338647 0.1017845), wk = 0.0023474 k( 94) = ( 0.6041840 0.1246936 0.1017845), wk = 0.0023474 k( 95) = ( 0.6096674 0.1155224 0.1017845), wk = 0.0023474 k( 96) = ( 0.6151508 0.1063512 0.1017845), wk = 0.0023474 k( 97) = ( 0.6206342 0.0971800 0.1017845), wk = 0.0023474 k( 98) = ( 0.6261175 0.0880089 0.1017845), wk = 0.0023474 k( 99) = ( 0.6316009 0.0788377 0.1017845), wk = 0.0023474 k( 100) = ( 0.6370843 0.0696665 0.1017845), wk = 0.0023474 k( 101) = ( 0.6425677 0.0604953 0.1017845), wk = 0.0023474 k( 102) = ( 0.6480510 0.0513242 0.1017845), wk = 0.0023474 k( 103) = ( 0.6535344 0.0421530 0.1017845), wk = 0.0023474 k( 104) = ( 0.6590178 0.0329818 0.1017845), wk = 0.0023474 k( 105) = ( 0.6645011 0.0238106 0.1017845), wk = 0.0023474 k( 106) = ( 0.3354989 -0.5611364 0.1582885), wk = 0.0023474 k( 107) = ( 0.3299989 -0.5519374 0.1582885), wk = 0.0023474 k( 108) = ( 0.3244989 -0.5427385 0.1582885), wk = 0.0023474 k( 109) = ( 0.3189989 -0.5335395 0.1582885), wk = 0.0023474 k( 110) = ( 0.3134989 -0.5243406 0.1582885), wk = 0.0023474 k( 111) = ( 0.3079989 -0.5151416 0.1582885), wk = 0.0023474 k( 112) = ( 0.3024990 -0.5059426 0.1582885), wk = 0.0023474 k( 113) = ( 0.2969990 -0.4967437 0.1582885), wk = 0.0023474 k( 114) = ( 0.2914990 -0.4875447 0.1582885), wk = 0.0023474 k( 115) = ( 0.2859990 -0.4783458 0.1582885), wk = 0.0023474 k( 116) = ( 0.2804991 -0.4691468 0.1582885), wk = 0.0023474 k( 117) = ( 0.2749991 -0.4599479 0.1582885), wk = 0.0023474 k( 118) = ( 0.2694991 -0.4507489 0.1582885), wk = 0.0023474 k( 119) = ( 0.2639991 -0.4415499 0.1582885), wk = 0.0023474 k( 120) = ( 0.2584991 -0.4323510 0.1582885), wk = 0.0023474 k( 121) = ( 0.2529991 -0.4231520 0.1582885), wk = 0.0023474 k( 122) = ( 0.2474992 -0.4139531 0.1582885), wk = 0.0023474 k( 123) = ( 0.2419992 -0.4047541 0.1582885), wk = 0.0023474 k( 124) = ( 0.2364992 -0.3955552 0.1582885), wk = 0.0023474 k( 125) = ( 0.2309992 -0.3863562 0.1582885), wk = 0.0023474 k( 126) = ( 0.2254992 -0.3771572 0.1582885), wk = 0.0023474 k( 127) = ( 0.2199993 -0.3679583 0.1582885), wk = 0.0023474 k( 128) = ( 0.2144993 -0.3587593 0.1582885), wk = 0.0023474 k( 129) = ( 0.2089993 -0.3495604 0.1582885), wk = 0.0023474 k( 130) = ( 0.2034993 -0.3403614 0.1582885), wk = 0.0023474 k( 131) = ( 0.1979993 -0.3311625 0.1582885), wk = 0.0023474 k( 132) = ( 0.1924994 -0.3219635 0.1582885), wk = 0.0023474 k( 133) = ( 0.1869994 -0.3127646 0.1582885), wk = 0.0023474 k( 134) = ( 0.1814994 -0.3035656 0.1582885), wk = 0.0023474 k( 135) = ( 0.1759994 -0.2943666 0.1582885), wk = 0.0023474 k( 136) = ( 0.1704994 -0.2851677 0.1582885), wk = 0.0023474 k( 137) = ( 0.1649994 -0.2759687 0.1582885), wk = 0.0023474 k( 138) = ( 0.1594995 -0.2667698 0.1582885), wk = 0.0023474 k( 139) = ( 0.1539995 -0.2575708 0.1582885), wk = 0.0023474 k( 140) = ( 0.1484995 -0.2483719 0.1582885), wk = 0.0023474 k( 141) = ( 0.1429995 -0.2391729 0.1582885), wk = 0.0023474 k( 142) = ( 0.1374995 -0.2299739 0.1582885), wk = 0.0023474 k( 143) = ( 0.1319995 -0.2207750 0.1582885), wk = 0.0023474 k( 144) = ( 0.1264996 -0.2115760 0.1582885), wk = 0.0023474 k( 145) = ( 0.1209996 -0.2023771 0.1582885), wk = 0.0023474 k( 146) = ( 0.1154996 -0.1931781 0.1582885), wk = 0.0023474 k( 147) = ( 0.1099996 -0.1839791 0.1582885), wk = 0.0023474 k( 148) = ( 0.1044996 -0.1747802 0.1582885), wk = 0.0023474 k( 149) = ( 0.0989997 -0.1655812 0.1582885), wk = 0.0023474 k( 150) = ( 0.0934997 -0.1563823 0.1582885), wk = 0.0023474 k( 151) = ( 0.0879997 -0.1471833 0.1582885), wk = 0.0023474 k( 152) = ( 0.0824997 -0.1379844 0.1582885), wk = 0.0023474 k( 153) = ( 0.0769997 -0.1287854 0.1582885), wk = 0.0023474 k( 154) = ( 0.0714998 -0.1195864 0.1582885), wk = 0.0023474 k( 155) = ( 0.0659998 -0.1103875 0.1582885), wk = 0.0023474 k( 156) = ( 0.0604998 -0.1011885 0.1582885), wk = 0.0023474 k( 157) = ( 0.0549998 -0.0919896 0.1582885), wk = 0.0023474 k( 158) = ( 0.0494998 -0.0827906 0.1582885), wk = 0.0023474 k( 159) = ( 0.0439999 -0.0735917 0.1582885), wk = 0.0023474 k( 160) = ( 0.0384999 -0.0643927 0.1582885), wk = 0.0023474 k( 161) = ( 0.0329999 -0.0551937 0.1582885), wk = 0.0023474 k( 162) = ( 0.0274999 -0.0459948 0.1582885), wk = 0.0023474 k( 163) = ( 0.0219999 -0.0367958 0.1582885), wk = 0.0023474 k( 164) = ( 0.0164999 -0.0275969 0.1582885), wk = 0.0023474 k( 165) = ( 0.0110000 -0.0183979 0.1582885), wk = 0.0023474 k( 166) = ( 0.0055000 -0.0091990 0.1582885), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1582885), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1582885), wk = 0.0023474 k( 169) = ( 0.0091023 0.0054422 0.1582885), wk = 0.0023474 k( 170) = ( 0.0182047 0.0108844 0.1582885), wk = 0.0023474 k( 171) = ( 0.0273070 0.0163267 0.1582885), wk = 0.0023474 k( 172) = ( 0.0364094 0.0217689 0.1582885), wk = 0.0023474 k( 173) = ( 0.0455117 0.0272111 0.1582885), wk = 0.0023474 k( 174) = ( 0.0546141 0.0326533 0.1582885), wk = 0.0023474 k( 175) = ( 0.0637164 0.0380955 0.1582885), wk = 0.0023474 k( 176) = ( 0.0728188 0.0435377 0.1582885), wk = 0.0023474 k( 177) = ( 0.0819211 0.0489800 0.1582885), wk = 0.0023474 k( 178) = ( 0.0910234 0.0544222 0.1582885), wk = 0.0023474 k( 179) = ( 0.1001258 0.0598644 0.1582885), wk = 0.0023474 k( 180) = ( 0.1092281 0.0653066 0.1582885), wk = 0.0023474 k( 181) = ( 0.1183305 0.0707488 0.1582885), wk = 0.0023474 k( 182) = ( 0.1274328 0.0761910 0.1582885), wk = 0.0023474 k( 183) = ( 0.1365352 0.0816333 0.1582885), wk = 0.0023474 k( 184) = ( 0.1456375 0.0870755 0.1582885), wk = 0.0023474 k( 185) = ( 0.1547399 0.0925177 0.1582885), wk = 0.0023474 k( 186) = ( 0.1638422 0.0979599 0.1582885), wk = 0.0023474 k( 187) = ( 0.1729445 0.1034021 0.1582885), wk = 0.0023474 k( 188) = ( 0.1820469 0.1088443 0.1582885), wk = 0.0023474 k( 189) = ( 0.1911492 0.1142866 0.1582885), wk = 0.0023474 k( 190) = ( 0.2002516 0.1197288 0.1582885), wk = 0.0023474 k( 191) = ( 0.2093539 0.1251710 0.1582885), wk = 0.0023474 k( 192) = ( 0.2184562 0.1306132 0.1582885), wk = 0.0023474 k( 193) = ( 0.2275586 0.1360554 0.1582885), wk = 0.0023474 k( 194) = ( 0.2366609 0.1414976 0.1582885), wk = 0.0023474 k( 195) = ( 0.2457633 0.1469399 0.1582885), wk = 0.0023474 k( 196) = ( 0.2548656 0.1523821 0.1582885), wk = 0.0023474 k( 197) = ( 0.2639680 0.1578243 0.1582885), wk = 0.0023474 k( 198) = ( 0.2730703 0.1632665 0.1582885), wk = 0.0023474 k( 199) = ( 0.2821727 0.1687087 0.1582885), wk = 0.0023474 k( 200) = ( 0.2912750 0.1741509 0.1582885), wk = 0.0023474 k( 201) = ( 0.3003773 0.1795932 0.1582885), wk = 0.0023474 k( 202) = ( 0.3094797 0.1850354 0.1582885), wk = 0.0023474 k( 203) = ( 0.3185820 0.1904776 0.1582885), wk = 0.0023474 k( 204) = ( 0.3276844 0.1959198 0.1582885), wk = 0.0023474 k( 205) = ( 0.3367867 0.2013620 0.1582885), wk = 0.0023474 k( 206) = ( 0.3458891 0.2068042 0.1582885), wk = 0.0023474 k( 207) = ( 0.3549914 0.2122465 0.1582885), wk = 0.0023474 k( 208) = ( 0.3640937 0.2176887 0.1582885), wk = 0.0023474 k( 209) = ( 0.3731961 0.2231309 0.1582885), wk = 0.0023474 k( 210) = ( 0.3822984 0.2285731 0.1582885), wk = 0.0023474 k( 211) = ( 0.3914008 0.2340153 0.1582885), wk = 0.0023474 k( 212) = ( 0.4005031 0.2394575 0.1582885), wk = 0.0023474 k( 213) = ( 0.4096055 0.2448998 0.1582885), wk = 0.0023474 k( 214) = ( 0.4187078 0.2503420 0.1582885), wk = 0.0023474 k( 215) = ( 0.4278102 0.2557842 0.1582885), wk = 0.0023474 k( 216) = ( 0.4369125 0.2612264 0.1582885), wk = 0.0023474 k( 217) = ( 0.4460149 0.2666686 0.1582885), wk = 0.0023474 k( 218) = ( 0.4551172 0.2721108 0.1582885), wk = 0.0023474 k( 219) = ( 0.4642195 0.2775531 0.1582885), wk = 0.0023474 k( 220) = ( 0.4733219 0.2829953 0.1582885), wk = 0.0023474 k( 221) = ( 0.4824242 0.2884375 0.1582885), wk = 0.0023474 k( 222) = ( 0.4915266 0.2938797 0.1582885), wk = 0.0023474 k( 223) = ( 0.5000000 0.2989459 -0.0565040), wk = 0.0023474 k( 224) = ( 0.5053264 0.2900374 -0.0565040), wk = 0.0023474 k( 225) = ( 0.5106527 0.2811288 -0.0565040), wk = 0.0023474 k( 226) = ( 0.5159791 0.2722202 -0.0565040), wk = 0.0023474 k( 227) = ( 0.5213054 0.2633117 -0.0565040), wk = 0.0023474 k( 228) = ( 0.5266318 0.2544031 -0.0565040), wk = 0.0023474 k( 229) = ( 0.5319581 0.2454946 -0.0565040), wk = 0.0023474 k( 230) = ( 0.5372845 0.2365860 -0.0565040), wk = 0.0023474 k( 231) = ( 0.5426108 0.2276775 -0.0565040), wk = 0.0023474 k( 232) = ( 0.5479372 0.2187689 -0.0565040), wk = 0.0023474 k( 233) = ( 0.5532635 0.2098604 -0.0565040), wk = 0.0023474 k( 234) = ( 0.5585899 0.2009518 -0.0565040), wk = 0.0023474 k( 235) = ( 0.5639162 0.1920432 -0.0565040), wk = 0.0023474 k( 236) = ( 0.5692426 0.1831347 -0.0565040), wk = 0.0023474 k( 237) = ( 0.5745689 0.1742261 -0.0565040), wk = 0.0023474 k( 238) = ( 0.5798953 0.1653176 -0.0565040), wk = 0.0023474 k( 239) = ( 0.5852216 0.1564090 -0.0565040), wk = 0.0023474 k( 240) = ( 0.5905480 0.1475005 -0.0565040), wk = 0.0023474 k( 241) = ( 0.5958743 0.1385919 -0.0565040), wk = 0.0023474 k( 242) = ( 0.6012007 0.1296834 -0.0565040), wk = 0.0023474 k( 243) = ( 0.6065270 0.1207748 -0.0565040), wk = 0.0023474 k( 244) = ( 0.6118534 0.1118662 -0.0565040), wk = 0.0023474 k( 245) = ( 0.6171798 0.1029577 -0.0565040), wk = 0.0023474 k( 246) = ( 0.6225061 0.0940491 -0.0565040), wk = 0.0023474 k( 247) = ( 0.6278325 0.0851406 -0.0565040), wk = 0.0023474 k( 248) = ( 0.6331588 0.0762320 -0.0565040), wk = 0.0023474 k( 249) = ( 0.6384852 0.0673235 -0.0565040), wk = 0.0023474 k( 250) = ( 0.6438115 0.0584149 -0.0565040), wk = 0.0023474 k( 251) = ( 0.6491379 0.0495063 -0.0565040), wk = 0.0023474 k( 252) = ( 0.6544642 0.0405978 -0.0565040), wk = 0.0023474 k( 253) = ( 0.6597906 0.0316892 -0.0565040), wk = 0.0023474 k( 254) = ( 0.3402094 -0.5690150 -0.0000000), wk = 0.0023474 k( 255) = ( 0.3347222 -0.5598373 -0.0000000), wk = 0.0023474 k( 256) = ( 0.3292349 -0.5506597 -0.0000000), wk = 0.0023474 k( 257) = ( 0.3237477 -0.5414820 -0.0000000), wk = 0.0023474 k( 258) = ( 0.3182604 -0.5323043 -0.0000000), wk = 0.0023474 k( 259) = ( 0.3127732 -0.5231267 -0.0000000), wk = 0.0023474 k( 260) = ( 0.3072859 -0.5139490 -0.0000000), wk = 0.0023474 k( 261) = ( 0.3017987 -0.5047714 -0.0000000), wk = 0.0023474 k( 262) = ( 0.2963114 -0.4955937 -0.0000000), wk = 0.0023474 k( 263) = ( 0.2908242 -0.4864160 -0.0000000), wk = 0.0023474 k( 264) = ( 0.2853369 -0.4772384 -0.0000000), wk = 0.0023474 k( 265) = ( 0.2798497 -0.4680607 -0.0000000), wk = 0.0023474 k( 266) = ( 0.2743624 -0.4588831 -0.0000000), wk = 0.0023474 k( 267) = ( 0.2688752 -0.4497054 -0.0000000), wk = 0.0023474 k( 268) = ( 0.2633879 -0.4405277 -0.0000000), wk = 0.0023474 k( 269) = ( 0.2579007 -0.4313501 -0.0000000), wk = 0.0023474 k( 270) = ( 0.2524134 -0.4221724 -0.0000000), wk = 0.0023474 k( 271) = ( 0.2469262 -0.4129948 -0.0000000), wk = 0.0023474 k( 272) = ( 0.2414389 -0.4038171 -0.0000000), wk = 0.0023474 k( 273) = ( 0.2359517 -0.3946394 -0.0000000), wk = 0.0023474 k( 274) = ( 0.2304644 -0.3854618 -0.0000000), wk = 0.0023474 k( 275) = ( 0.2249772 -0.3762841 -0.0000000), wk = 0.0023474 k( 276) = ( 0.2194899 -0.3671065 -0.0000000), wk = 0.0023474 k( 277) = ( 0.2140027 -0.3579288 -0.0000000), wk = 0.0023474 k( 278) = ( 0.2085154 -0.3487511 -0.0000000), wk = 0.0023474 k( 279) = ( 0.2030282 -0.3395735 -0.0000000), wk = 0.0023474 k( 280) = ( 0.1975409 -0.3303958 -0.0000000), wk = 0.0023474 k( 281) = ( 0.1920537 -0.3212181 -0.0000000), wk = 0.0023474 k( 282) = ( 0.1865665 -0.3120405 -0.0000000), wk = 0.0023474 k( 283) = ( 0.1810792 -0.3028628 -0.0000000), wk = 0.0023474 k( 284) = ( 0.1755920 -0.2936852 -0.0000000), wk = 0.0023474 k( 285) = ( 0.1701047 -0.2845075 -0.0000000), wk = 0.0023474 k( 286) = ( 0.1646175 -0.2753298 -0.0000000), wk = 0.0023474 k( 287) = ( 0.1591302 -0.2661522 -0.0000000), wk = 0.0023474 k( 288) = ( 0.1536430 -0.2569745 -0.0000000), wk = 0.0023474 k( 289) = ( 0.1481557 -0.2477968 -0.0000000), wk = 0.0023474 k( 290) = ( 0.1426685 -0.2386192 -0.0000000), wk = 0.0023474 k( 291) = ( 0.1371812 -0.2294415 -0.0000000), wk = 0.0023474 k( 292) = ( 0.1316940 -0.2202639 -0.0000000), wk = 0.0023474 k( 293) = ( 0.1262067 -0.2110862 -0.0000000), wk = 0.0023474 k( 294) = ( 0.1207195 -0.2019085 -0.0000000), wk = 0.0023474 k( 295) = ( 0.1152322 -0.1927309 -0.0000000), wk = 0.0023474 k( 296) = ( 0.1097450 -0.1835532 -0.0000000), wk = 0.0023474 k( 297) = ( 0.1042577 -0.1743756 -0.0000000), wk = 0.0023474 k( 298) = ( 0.0987705 -0.1651979 -0.0000000), wk = 0.0023474 k( 299) = ( 0.0932832 -0.1560202 -0.0000000), wk = 0.0023474 k( 300) = ( 0.0877960 -0.1468426 -0.0000000), wk = 0.0023474 k( 301) = ( 0.0823087 -0.1376649 -0.0000000), wk = 0.0023474 k( 302) = ( 0.0768215 -0.1284873 -0.0000000), wk = 0.0023474 k( 303) = ( 0.0713342 -0.1193096 -0.0000000), wk = 0.0023474 k( 304) = ( 0.0658470 -0.1101319 -0.0000000), wk = 0.0023474 k( 305) = ( 0.0603597 -0.1009543 -0.0000000), wk = 0.0023474 k( 306) = ( 0.0548725 -0.0917766 -0.0000000), wk = 0.0023474 k( 307) = ( 0.0493852 -0.0825990 -0.0000000), wk = 0.0023474 k( 308) = ( 0.0438980 -0.0734213 -0.0000000), wk = 0.0023474 k( 309) = ( 0.0384107 -0.0642436 -0.0000000), wk = 0.0023474 k( 310) = ( 0.0329235 -0.0550660 -0.0000000), wk = 0.0023474 k( 311) = ( 0.0274362 -0.0458883 -0.0000000), wk = 0.0023474 k( 312) = ( 0.0219490 -0.0367106 -0.0000000), wk = 0.0023474 k( 313) = ( 0.0164618 -0.0275330 -0.0000000), wk = 0.0023474 k( 314) = ( 0.0109745 -0.0183553 -0.0000000), wk = 0.0023474 k( 315) = ( 0.0054872 -0.0091777 -0.0000000), wk = 0.0023474 k( 316) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 317) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 318) = ( 0.0094340 -0.0050691 -0.0005331), wk = 0.0023474 k( 319) = ( 0.0188679 -0.0101382 -0.0010661), wk = 0.0023474 k( 320) = ( 0.0283019 -0.0152073 -0.0015992), wk = 0.0023474 k( 321) = ( 0.0377359 -0.0202764 -0.0021322), wk = 0.0023474 k( 322) = ( 0.0471698 -0.0253456 -0.0026653), wk = 0.0023474 k( 323) = ( 0.0566038 -0.0304147 -0.0031983), wk = 0.0023474 k( 324) = ( 0.0660377 -0.0354838 -0.0037314), wk = 0.0023474 k( 325) = ( 0.0754717 -0.0405529 -0.0042645), wk = 0.0023474 k( 326) = ( 0.0849057 -0.0456220 -0.0047975), wk = 0.0023474 k( 327) = ( 0.0943396 -0.0506911 -0.0053306), wk = 0.0023474 k( 328) = ( 0.1037736 -0.0557602 -0.0058636), wk = 0.0023474 k( 329) = ( 0.1132076 -0.0608293 -0.0063967), wk = 0.0023474 k( 330) = ( 0.1226415 -0.0658984 -0.0069297), wk = 0.0023474 k( 331) = ( 0.1320755 -0.0709676 -0.0074628), wk = 0.0023474 k( 332) = ( 0.1415094 -0.0760367 -0.0079959), wk = 0.0023474 k( 333) = ( 0.1509434 -0.0811058 -0.0085289), wk = 0.0023474 k( 334) = ( 0.1603774 -0.0861749 -0.0090620), wk = 0.0023474 k( 335) = ( 0.1698113 -0.0912440 -0.0095950), wk = 0.0023474 k( 336) = ( 0.1792453 -0.0963131 -0.0101281), wk = 0.0023474 k( 337) = ( 0.1886792 -0.1013822 -0.0106611), wk = 0.0023474 k( 338) = ( 0.1981132 -0.1064513 -0.0111942), wk = 0.0023474 k( 339) = ( 0.2075472 -0.1115204 -0.0117273), wk = 0.0023474 k( 340) = ( 0.2169811 -0.1165896 -0.0122603), wk = 0.0023474 k( 341) = ( 0.2264151 -0.1216587 -0.0127934), wk = 0.0023474 k( 342) = ( 0.2358491 -0.1267278 -0.0133264), wk = 0.0023474 k( 343) = ( 0.2452830 -0.1317969 -0.0138595), wk = 0.0023474 k( 344) = ( 0.2547170 -0.1368660 -0.0143925), wk = 0.0023474 k( 345) = ( 0.2641509 -0.1419351 -0.0149256), wk = 0.0023474 k( 346) = ( 0.2735849 -0.1470042 -0.0154586), wk = 0.0023474 k( 347) = ( 0.2830189 -0.1520733 -0.0159917), wk = 0.0023474 k( 348) = ( 0.2924528 -0.1571424 -0.0165248), wk = 0.0023474 k( 349) = ( 0.3018868 -0.1622115 -0.0170578), wk = 0.0023474 k( 350) = ( 0.3113207 -0.1672807 -0.0175909), wk = 0.0023474 k( 351) = ( 0.3207547 -0.1723498 -0.0181239), wk = 0.0023474 k( 352) = ( 0.3301887 -0.1774189 -0.0186570), wk = 0.0023474 k( 353) = ( 0.3396226 -0.1824880 -0.0191900), wk = 0.0023474 k( 354) = ( 0.3490566 -0.1875571 -0.0197231), wk = 0.0023474 k( 355) = ( 0.3584906 -0.1926262 -0.0202562), wk = 0.0023474 k( 356) = ( 0.3679245 -0.1976953 -0.0207892), wk = 0.0023474 k( 357) = ( 0.3773585 -0.2027644 -0.0213223), wk = 0.0023474 k( 358) = ( 0.3867925 -0.2078335 -0.0218553), wk = 0.0023474 k( 359) = ( 0.3962264 -0.2129027 -0.0223884), wk = 0.0023474 k( 360) = ( 0.4056604 -0.2179718 -0.0229214), wk = 0.0023474 k( 361) = ( 0.4150943 -0.2230409 -0.0234545), wk = 0.0023474 k( 362) = ( 0.4245283 -0.2281100 -0.0239876), wk = 0.0023474 k( 363) = ( 0.4339623 -0.2331791 -0.0245206), wk = 0.0023474 k( 364) = ( 0.4433962 -0.2382482 -0.0250537), wk = 0.0023474 k( 365) = ( 0.4528302 -0.2433173 -0.0255867), wk = 0.0023474 k( 366) = ( 0.4622641 -0.2483864 -0.0261198), wk = 0.0023474 k( 367) = ( 0.4716981 -0.2534555 -0.0266528), wk = 0.0023474 k( 368) = ( 0.4811321 -0.2585247 -0.0271859), wk = 0.0023474 k( 369) = ( 0.4905660 -0.2635938 -0.0277190), wk = 0.0023474 k( 370) = ( 0.5000000 -0.2686629 -0.0282520), wk = 0.0023474 k( 371) = ( 0.5000000 -0.2686629 0.1300365), wk = 0.0023474 k( 372) = ( 0.4909091 -0.2637781 0.1276722), wk = 0.0023474 k( 373) = ( 0.4818182 -0.2588933 0.1253079), wk = 0.0023474 k( 374) = ( 0.4727273 -0.2540085 0.1229436), wk = 0.0023474 k( 375) = ( 0.4636364 -0.2491238 0.1205793), wk = 0.0023474 k( 376) = ( 0.4545455 -0.2442390 0.1182150), wk = 0.0023474 k( 377) = ( 0.4454546 -0.2393542 0.1158507), wk = 0.0023474 k( 378) = ( 0.4363636 -0.2344694 0.1134864), wk = 0.0023474 k( 379) = ( 0.4272727 -0.2295846 0.1111221), wk = 0.0023474 k( 380) = ( 0.4181818 -0.2246999 0.1087578), wk = 0.0023474 k( 381) = ( 0.4090909 -0.2198151 0.1063935), wk = 0.0023474 k( 382) = ( 0.4000000 -0.2149303 0.1040292), wk = 0.0023474 k( 383) = ( 0.3909091 -0.2100455 0.1016649), wk = 0.0023474 k( 384) = ( 0.3818182 -0.2051607 0.0993006), wk = 0.0023474 k( 385) = ( 0.3727273 -0.2002760 0.0969363), wk = 0.0023474 k( 386) = ( 0.3636364 -0.1953912 0.0945720), wk = 0.0023474 k( 387) = ( 0.3545454 -0.1905064 0.0922077), wk = 0.0023474 k( 388) = ( 0.3454546 -0.1856216 0.0898434), wk = 0.0023474 k( 389) = ( 0.3363636 -0.1807368 0.0874791), wk = 0.0023474 k( 390) = ( 0.3272727 -0.1758521 0.0851148), wk = 0.0023474 k( 391) = ( 0.3181818 -0.1709673 0.0827505), wk = 0.0023474 k( 392) = ( 0.3090909 -0.1660825 0.0803862), wk = 0.0023474 k( 393) = ( 0.3000000 -0.1611977 0.0780219), wk = 0.0023474 k( 394) = ( 0.2909091 -0.1563129 0.0756576), wk = 0.0023474 k( 395) = ( 0.2818182 -0.1514282 0.0732933), wk = 0.0023474 k( 396) = ( 0.2727273 -0.1465434 0.0709290), wk = 0.0023474 k( 397) = ( 0.2636364 -0.1416586 0.0685647), wk = 0.0023474 k( 398) = ( 0.2545455 -0.1367738 0.0662004), wk = 0.0023474 k( 399) = ( 0.2454545 -0.1318891 0.0638361), wk = 0.0023474 k( 400) = ( 0.2363636 -0.1270043 0.0614718), wk = 0.0023474 k( 401) = ( 0.2272727 -0.1221195 0.0591075), wk = 0.0023474 k( 402) = ( 0.2181818 -0.1172347 0.0567432), wk = 0.0023474 k( 403) = ( 0.2090909 -0.1123499 0.0543789), wk = 0.0023474 k( 404) = ( 0.2000000 -0.1074652 0.0520146), wk = 0.0023474 k( 405) = ( 0.1909091 -0.1025804 0.0496503), wk = 0.0023474 k( 406) = ( 0.1818182 -0.0976956 0.0472860), wk = 0.0023474 k( 407) = ( 0.1727273 -0.0928108 0.0449217), wk = 0.0023474 k( 408) = ( 0.1636364 -0.0879260 0.0425574), wk = 0.0023474 k( 409) = ( 0.1545455 -0.0830413 0.0401931), wk = 0.0023474 k( 410) = ( 0.1454545 -0.0781565 0.0378288), wk = 0.0023474 k( 411) = ( 0.1363636 -0.0732717 0.0354645), wk = 0.0023474 k( 412) = ( 0.1272727 -0.0683869 0.0331002), wk = 0.0023474 k( 413) = ( 0.1181818 -0.0635021 0.0307359), wk = 0.0023474 k( 414) = ( 0.1090909 -0.0586174 0.0283716), wk = 0.0023474 k( 415) = ( 0.1000000 -0.0537326 0.0260073), wk = 0.0023474 k( 416) = ( 0.0909091 -0.0488478 0.0236430), wk = 0.0023474 k( 417) = ( 0.0818182 -0.0439630 0.0212787), wk = 0.0023474 k( 418) = ( 0.0727273 -0.0390782 0.0189144), wk = 0.0023474 k( 419) = ( 0.0636364 -0.0341935 0.0165501), wk = 0.0023474 k( 420) = ( 0.0545455 -0.0293087 0.0141858), wk = 0.0023474 k( 421) = ( 0.0454546 -0.0244239 0.0118215), wk = 0.0023474 k( 422) = ( 0.0363636 -0.0195391 0.0094572), wk = 0.0023474 k( 423) = ( 0.0272727 -0.0146543 0.0070929), wk = 0.0023474 k( 424) = ( 0.0181818 -0.0097696 0.0047286), wk = 0.0023474 k( 425) = ( 0.0090909 -0.0048848 0.0023643), wk = 0.0023474 k( 426) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0023474 k( 3) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0023474 k( 4) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0023474 k( 5) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0023474 k( 6) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0023474 k( 8) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0023474 k( 9) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0023474 k( 10) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0023474 k( 12) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0023474 k( 13) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0023474 k( 14) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0023474 k( 15) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0023474 k( 16) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0023474 k( 17) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0023474 k( 18) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0023474 k( 19) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0023474 k( 21) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0023474 k( 23) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0023474 k( 24) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0023474 k( 25) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0023474 k( 26) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0023474 k( 27) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0023474 k( 28) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0023474 k( 30) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0023474 k( 31) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0023474 k( 33) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0023474 k( 34) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0023474 k( 35) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0023474 k( 36) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0023474 k( 37) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0023474 k( 39) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0023474 k( 40) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0023474 k( 41) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0023474 k( 43) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0023474 k( 44) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0023474 k( 45) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0023474 k( 46) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0023474 k( 47) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0023474 k( 48) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0023474 k( 49) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0023474 k( 50) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0023474 k( 52) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0023474 k( 53) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0023474 k( 54) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0023474 k( 55) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0023474 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 58) = ( 0.5008473 0.5008473 0.0324541), wk = 0.0023474 k( 59) = ( 0.5016947 0.5016947 0.0649081), wk = 0.0023474 k( 60) = ( 0.5025420 0.5025420 0.0973621), wk = 0.0023474 k( 61) = ( 0.5033894 0.5033894 0.1298162), wk = 0.0023474 k( 62) = ( 0.5042367 0.5042367 0.1622703), wk = 0.0023474 k( 63) = ( 0.5050841 0.5050841 0.1947243), wk = 0.0023474 k( 64) = ( 0.5059314 0.5059314 0.2271783), wk = 0.0023474 k( 65) = ( 0.5067787 0.5067787 0.2596324), wk = 0.0023474 k( 66) = ( 0.5076261 0.5076261 0.2920864), wk = 0.0023474 k( 67) = ( 0.5084734 0.5084734 0.3245405), wk = 0.0023474 k( 68) = ( 0.5084734 0.5084734 0.3245405), wk = 0.0023474 k( 69) = ( 0.5070612 0.5070612 0.3537838), wk = 0.0023474 k( 70) = ( 0.5056490 0.5056490 0.3830270), wk = 0.0023474 k( 71) = ( 0.5042367 0.5042367 0.4122702), wk = 0.0023474 k( 72) = ( 0.5028245 0.5028245 0.4415135), wk = 0.0023474 k( 73) = ( 0.5014122 0.5014122 0.4707568), wk = 0.0023474 k( 74) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 76) = ( 0.5054834 0.4945166 0.5000000), wk = 0.0023474 k( 77) = ( 0.5109667 0.4890333 0.5000000), wk = 0.0023474 k( 78) = ( 0.5164501 0.4835499 0.5000000), wk = 0.0023474 k( 79) = ( 0.5219335 0.4780665 0.5000000), wk = 0.0023474 k( 80) = ( 0.5274169 0.4725831 0.5000000), wk = 0.0023474 k( 81) = ( 0.5329002 0.4670998 0.5000000), wk = 0.0023474 k( 82) = ( 0.5383836 0.4616164 0.5000000), wk = 0.0023474 k( 83) = ( 0.5438670 0.4561330 0.5000000), wk = 0.0023474 k( 84) = ( 0.5493503 0.4506497 0.5000000), wk = 0.0023474 k( 85) = ( 0.5548337 0.4451663 0.5000000), wk = 0.0023474 k( 86) = ( 0.5603171 0.4396829 0.5000000), wk = 0.0023474 k( 87) = ( 0.5658005 0.4341995 0.5000000), wk = 0.0023474 k( 88) = ( 0.5712838 0.4287162 0.5000000), wk = 0.0023474 k( 89) = ( 0.5767672 0.4232328 0.5000000), wk = 0.0023474 k( 90) = ( 0.5822506 0.4177494 0.5000000), wk = 0.0023474 k( 91) = ( 0.5877339 0.4122661 0.5000000), wk = 0.0023474 k( 92) = ( 0.5932173 0.4067827 0.5000000), wk = 0.0023474 k( 93) = ( 0.5987007 0.4012993 0.5000000), wk = 0.0023474 k( 94) = ( 0.6041840 0.3958160 0.5000000), wk = 0.0023474 k( 95) = ( 0.6096674 0.3903326 0.5000000), wk = 0.0023474 k( 96) = ( 0.6151508 0.3848492 0.5000000), wk = 0.0023474 k( 97) = ( 0.6206342 0.3793658 0.5000000), wk = 0.0023474 k( 98) = ( 0.6261175 0.3738825 0.5000000), wk = 0.0023474 k( 99) = ( 0.6316009 0.3683991 0.5000000), wk = 0.0023474 k( 100) = ( 0.6370843 0.3629157 0.5000000), wk = 0.0023474 k( 101) = ( 0.6425677 0.3574324 0.5000000), wk = 0.0023474 k( 102) = ( 0.6480510 0.3519490 0.5000000), wk = 0.0023474 k( 103) = ( 0.6535344 0.3464656 0.5000000), wk = 0.0023474 k( 104) = ( 0.6590178 0.3409822 0.5000000), wk = 0.0023474 k( 105) = ( 0.6645011 0.3354989 0.5000000), wk = 0.0023474 k( 106) = ( 0.3354989 -0.3354989 0.5000000), wk = 0.0023474 k( 107) = ( 0.3299989 -0.3299989 0.5000000), wk = 0.0023474 k( 108) = ( 0.3244989 -0.3244989 0.5000000), wk = 0.0023474 k( 109) = ( 0.3189989 -0.3189989 0.5000000), wk = 0.0023474 k( 110) = ( 0.3134989 -0.3134989 0.5000000), wk = 0.0023474 k( 111) = ( 0.3079989 -0.3079989 0.5000000), wk = 0.0023474 k( 112) = ( 0.3024990 -0.3024990 0.5000000), wk = 0.0023474 k( 113) = ( 0.2969990 -0.2969990 0.5000000), wk = 0.0023474 k( 114) = ( 0.2914990 -0.2914990 0.5000000), wk = 0.0023474 k( 115) = ( 0.2859990 -0.2859990 0.5000000), wk = 0.0023474 k( 116) = ( 0.2804991 -0.2804990 0.5000000), wk = 0.0023474 k( 117) = ( 0.2749991 -0.2749991 0.5000000), wk = 0.0023474 k( 118) = ( 0.2694991 -0.2694991 0.5000000), wk = 0.0023474 k( 119) = ( 0.2639991 -0.2639991 0.5000000), wk = 0.0023474 k( 120) = ( 0.2584991 -0.2584991 0.5000000), wk = 0.0023474 k( 121) = ( 0.2529991 -0.2529991 0.5000000), wk = 0.0023474 k( 122) = ( 0.2474992 -0.2474992 0.5000000), wk = 0.0023474 k( 123) = ( 0.2419992 -0.2419992 0.5000000), wk = 0.0023474 k( 124) = ( 0.2364992 -0.2364992 0.5000000), wk = 0.0023474 k( 125) = ( 0.2309992 -0.2309992 0.5000000), wk = 0.0023474 k( 126) = ( 0.2254992 -0.2254992 0.5000000), wk = 0.0023474 k( 127) = ( 0.2199993 -0.2199992 0.5000000), wk = 0.0023474 k( 128) = ( 0.2144993 -0.2144993 0.5000000), wk = 0.0023474 k( 129) = ( 0.2089993 -0.2089993 0.5000000), wk = 0.0023474 k( 130) = ( 0.2034993 -0.2034993 0.5000000), wk = 0.0023474 k( 131) = ( 0.1979993 -0.1979993 0.5000000), wk = 0.0023474 k( 132) = ( 0.1924994 -0.1924994 0.5000000), wk = 0.0023474 k( 133) = ( 0.1869994 -0.1869994 0.5000000), wk = 0.0023474 k( 134) = ( 0.1814994 -0.1814994 0.5000000), wk = 0.0023474 k( 135) = ( 0.1759994 -0.1759994 0.5000000), wk = 0.0023474 k( 136) = ( 0.1704994 -0.1704994 0.5000000), wk = 0.0023474 k( 137) = ( 0.1649994 -0.1649994 0.5000000), wk = 0.0023474 k( 138) = ( 0.1594995 -0.1594995 0.5000000), wk = 0.0023474 k( 139) = ( 0.1539995 -0.1539995 0.5000000), wk = 0.0023474 k( 140) = ( 0.1484995 -0.1484995 0.5000000), wk = 0.0023474 k( 141) = ( 0.1429995 -0.1429995 0.5000000), wk = 0.0023474 k( 142) = ( 0.1374995 -0.1374995 0.5000000), wk = 0.0023474 k( 143) = ( 0.1319995 -0.1319996 0.5000000), wk = 0.0023474 k( 144) = ( 0.1264996 -0.1264996 0.5000000), wk = 0.0023474 k( 145) = ( 0.1209996 -0.1209996 0.5000000), wk = 0.0023474 k( 146) = ( 0.1154996 -0.1154996 0.5000000), wk = 0.0023474 k( 147) = ( 0.1099996 -0.1099996 0.5000000), wk = 0.0023474 k( 148) = ( 0.1044996 -0.1044996 0.5000000), wk = 0.0023474 k( 149) = ( 0.0989997 -0.0989997 0.5000000), wk = 0.0023474 k( 150) = ( 0.0934997 -0.0934997 0.5000000), wk = 0.0023474 k( 151) = ( 0.0879997 -0.0879997 0.5000000), wk = 0.0023474 k( 152) = ( 0.0824997 -0.0824997 0.5000000), wk = 0.0023474 k( 153) = ( 0.0769997 -0.0769997 0.5000000), wk = 0.0023474 k( 154) = ( 0.0714998 -0.0714998 0.5000000), wk = 0.0023474 k( 155) = ( 0.0659998 -0.0659998 0.5000000), wk = 0.0023474 k( 156) = ( 0.0604998 -0.0604998 0.5000000), wk = 0.0023474 k( 157) = ( 0.0549998 -0.0549998 0.5000000), wk = 0.0023474 k( 158) = ( 0.0494998 -0.0494998 0.5000000), wk = 0.0023474 k( 159) = ( 0.0439999 -0.0439998 0.5000000), wk = 0.0023474 k( 160) = ( 0.0384999 -0.0384999 0.5000000), wk = 0.0023474 k( 161) = ( 0.0329999 -0.0329999 0.5000000), wk = 0.0023474 k( 162) = ( 0.0274999 -0.0274999 0.5000000), wk = 0.0023474 k( 163) = ( 0.0219999 -0.0219999 0.5000000), wk = 0.0023474 k( 164) = ( 0.0164999 -0.0164999 0.5000000), wk = 0.0023474 k( 165) = ( 0.0110000 -0.0110000 0.5000000), wk = 0.0023474 k( 166) = ( 0.0055000 -0.0055000 0.5000000), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 169) = ( 0.0091023 0.0091023 0.5032492), wk = 0.0023474 k( 170) = ( 0.0182047 0.0182047 0.5064985), wk = 0.0023474 k( 171) = ( 0.0273070 0.0273070 0.5097478), wk = 0.0023474 k( 172) = ( 0.0364094 0.0364094 0.5129970), wk = 0.0023474 k( 173) = ( 0.0455117 0.0455117 0.5162463), wk = 0.0023474 k( 174) = ( 0.0546141 0.0546141 0.5194955), wk = 0.0023474 k( 175) = ( 0.0637164 0.0637164 0.5227447), wk = 0.0023474 k( 176) = ( 0.0728188 0.0728188 0.5259940), wk = 0.0023474 k( 177) = ( 0.0819211 0.0819211 0.5292432), wk = 0.0023474 k( 178) = ( 0.0910234 0.0910234 0.5324925), wk = 0.0023474 k( 179) = ( 0.1001258 0.1001258 0.5357418), wk = 0.0023474 k( 180) = ( 0.1092281 0.1092281 0.5389910), wk = 0.0023474 k( 181) = ( 0.1183305 0.1183305 0.5422402), wk = 0.0023474 k( 182) = ( 0.1274328 0.1274328 0.5454895), wk = 0.0023474 k( 183) = ( 0.1365352 0.1365352 0.5487388), wk = 0.0023474 k( 184) = ( 0.1456375 0.1456375 0.5519880), wk = 0.0023474 k( 185) = ( 0.1547399 0.1547399 0.5552373), wk = 0.0023474 k( 186) = ( 0.1638422 0.1638422 0.5584865), wk = 0.0023474 k( 187) = ( 0.1729445 0.1729445 0.5617357), wk = 0.0023474 k( 188) = ( 0.1820469 0.1820469 0.5649850), wk = 0.0023474 k( 189) = ( 0.1911492 0.1911492 0.5682343), wk = 0.0023474 k( 190) = ( 0.2002516 0.2002516 0.5714835), wk = 0.0023474 k( 191) = ( 0.2093539 0.2093539 0.5747327), wk = 0.0023474 k( 192) = ( 0.2184562 0.2184563 0.5779820), wk = 0.0023474 k( 193) = ( 0.2275586 0.2275586 0.5812312), wk = 0.0023474 k( 194) = ( 0.2366609 0.2366609 0.5844805), wk = 0.0023474 k( 195) = ( 0.2457633 0.2457633 0.5877298), wk = 0.0023474 k( 196) = ( 0.2548656 0.2548656 0.5909790), wk = 0.0023474 k( 197) = ( 0.2639680 0.2639680 0.5942283), wk = 0.0023474 k( 198) = ( 0.2730703 0.2730703 0.5974775), wk = 0.0023474 k( 199) = ( 0.2821727 0.2821727 0.6007268), wk = 0.0023474 k( 200) = ( 0.2912750 0.2912750 0.6039760), wk = 0.0023474 k( 201) = ( 0.3003773 0.3003773 0.6072253), wk = 0.0023474 k( 202) = ( 0.3094797 0.3094797 0.6104745), wk = 0.0023474 k( 203) = ( 0.3185820 0.3185820 0.6137238), wk = 0.0023474 k( 204) = ( 0.3276844 0.3276844 0.6169730), wk = 0.0023474 k( 205) = ( 0.3367867 0.3367867 0.6202222), wk = 0.0023474 k( 206) = ( 0.3458891 0.3458891 0.6234715), wk = 0.0023474 k( 207) = ( 0.3549914 0.3549914 0.6267208), wk = 0.0023474 k( 208) = ( 0.3640937 0.3640937 0.6299700), wk = 0.0023474 k( 209) = ( 0.3731961 0.3731961 0.6332193), wk = 0.0023474 k( 210) = ( 0.3822984 0.3822984 0.6364685), wk = 0.0023474 k( 211) = ( 0.3914008 0.3914008 0.6397177), wk = 0.0023474 k( 212) = ( 0.4005031 0.4005031 0.6429670), wk = 0.0023474 k( 213) = ( 0.4096055 0.4096055 0.6462163), wk = 0.0023474 k( 214) = ( 0.4187078 0.4187078 0.6494655), wk = 0.0023474 k( 215) = ( 0.4278102 0.4278102 0.6527147), wk = 0.0023474 k( 216) = ( 0.4369125 0.4369125 0.6559640), wk = 0.0023474 k( 217) = ( 0.4460149 0.4460148 0.6592133), wk = 0.0023474 k( 218) = ( 0.4551172 0.4551172 0.6624625), wk = 0.0023474 k( 219) = ( 0.4642195 0.4642195 0.6657118), wk = 0.0023474 k( 220) = ( 0.4733219 0.4733219 0.6689610), wk = 0.0023474 k( 221) = ( 0.4824242 0.4824242 0.6722103), wk = 0.0023474 k( 222) = ( 0.4915266 0.4915266 0.6754595), wk = 0.0023474 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 224) = ( 0.5053264 0.4946737 0.0000000), wk = 0.0023474 k( 225) = ( 0.5106527 0.4893473 0.0000000), wk = 0.0023474 k( 226) = ( 0.5159791 0.4840209 0.0000000), wk = 0.0023474 k( 227) = ( 0.5213054 0.4786946 -0.0000000), wk = 0.0023474 k( 228) = ( 0.5266318 0.4733682 -0.0000000), wk = 0.0023474 k( 229) = ( 0.5319581 0.4680419 0.0000000), wk = 0.0023474 k( 230) = ( 0.5372845 0.4627155 0.0000000), wk = 0.0023474 k( 231) = ( 0.5426108 0.4573892 0.0000000), wk = 0.0023474 k( 232) = ( 0.5479372 0.4520628 0.0000000), wk = 0.0023474 k( 233) = ( 0.5532635 0.4467365 0.0000000), wk = 0.0023474 k( 234) = ( 0.5585899 0.4414101 0.0000000), wk = 0.0023474 k( 235) = ( 0.5639162 0.4360838 -0.0000000), wk = 0.0023474 k( 236) = ( 0.5692426 0.4307574 0.0000000), wk = 0.0023474 k( 237) = ( 0.5745689 0.4254311 0.0000000), wk = 0.0023474 k( 238) = ( 0.5798953 0.4201047 -0.0000000), wk = 0.0023474 k( 239) = ( 0.5852216 0.4147784 -0.0000000), wk = 0.0023474 k( 240) = ( 0.5905480 0.4094520 -0.0000000), wk = 0.0023474 k( 241) = ( 0.5958743 0.4041257 0.0000000), wk = 0.0023474 k( 242) = ( 0.6012007 0.3987993 0.0000000), wk = 0.0023474 k( 243) = ( 0.6065270 0.3934729 -0.0000000), wk = 0.0023474 k( 244) = ( 0.6118534 0.3881466 0.0000000), wk = 0.0023474 k( 245) = ( 0.6171798 0.3828202 -0.0000000), wk = 0.0023474 k( 246) = ( 0.6225061 0.3774939 0.0000000), wk = 0.0023474 k( 247) = ( 0.6278325 0.3721675 0.0000000), wk = 0.0023474 k( 248) = ( 0.6331588 0.3668412 0.0000000), wk = 0.0023474 k( 249) = ( 0.6384852 0.3615148 0.0000000), wk = 0.0023474 k( 250) = ( 0.6438115 0.3561885 -0.0000000), wk = 0.0023474 k( 251) = ( 0.6491379 0.3508621 0.0000000), wk = 0.0023474 k( 252) = ( 0.6544642 0.3455358 0.0000000), wk = 0.0023474 k( 253) = ( 0.6597906 0.3402094 0.0000000), wk = 0.0023474 k( 254) = ( 0.3402094 -0.3402094 0.0000000), wk = 0.0023474 k( 255) = ( 0.3347222 -0.3347222 -0.0000000), wk = 0.0023474 k( 256) = ( 0.3292349 -0.3292349 0.0000000), wk = 0.0023474 k( 257) = ( 0.3237477 -0.3237477 -0.0000000), wk = 0.0023474 k( 258) = ( 0.3182604 -0.3182604 -0.0000000), wk = 0.0023474 k( 259) = ( 0.3127732 -0.3127732 0.0000000), wk = 0.0023474 k( 260) = ( 0.3072859 -0.3072859 0.0000000), wk = 0.0023474 k( 261) = ( 0.3017987 -0.3017987 -0.0000000), wk = 0.0023474 k( 262) = ( 0.2963114 -0.2963114 0.0000000), wk = 0.0023474 k( 263) = ( 0.2908242 -0.2908242 0.0000000), wk = 0.0023474 k( 264) = ( 0.2853369 -0.2853369 0.0000000), wk = 0.0023474 k( 265) = ( 0.2798497 -0.2798497 0.0000000), wk = 0.0023474 k( 266) = ( 0.2743624 -0.2743624 0.0000000), wk = 0.0023474 k( 267) = ( 0.2688752 -0.2688752 0.0000000), wk = 0.0023474 k( 268) = ( 0.2633879 -0.2633879 0.0000000), wk = 0.0023474 k( 269) = ( 0.2579007 -0.2579007 -0.0000000), wk = 0.0023474 k( 270) = ( 0.2524134 -0.2524134 0.0000000), wk = 0.0023474 k( 271) = ( 0.2469262 -0.2469262 0.0000000), wk = 0.0023474 k( 272) = ( 0.2414389 -0.2414389 -0.0000000), wk = 0.0023474 k( 273) = ( 0.2359517 -0.2359517 0.0000000), wk = 0.0023474 k( 274) = ( 0.2304644 -0.2304644 -0.0000000), wk = 0.0023474 k( 275) = ( 0.2249772 -0.2249772 0.0000000), wk = 0.0023474 k( 276) = ( 0.2194899 -0.2194899 -0.0000000), wk = 0.0023474 k( 277) = ( 0.2140027 -0.2140027 -0.0000000), wk = 0.0023474 k( 278) = ( 0.2085154 -0.2085154 -0.0000000), wk = 0.0023474 k( 279) = ( 0.2030282 -0.2030282 0.0000000), wk = 0.0023474 k( 280) = ( 0.1975409 -0.1975409 0.0000000), wk = 0.0023474 k( 281) = ( 0.1920537 -0.1920537 0.0000000), wk = 0.0023474 k( 282) = ( 0.1865665 -0.1865665 0.0000000), wk = 0.0023474 k( 283) = ( 0.1810792 -0.1810792 -0.0000000), wk = 0.0023474 k( 284) = ( 0.1755920 -0.1755920 -0.0000000), wk = 0.0023474 k( 285) = ( 0.1701047 -0.1701047 0.0000000), wk = 0.0023474 k( 286) = ( 0.1646175 -0.1646175 0.0000000), wk = 0.0023474 k( 287) = ( 0.1591302 -0.1591302 -0.0000000), wk = 0.0023474 k( 288) = ( 0.1536430 -0.1536430 -0.0000000), wk = 0.0023474 k( 289) = ( 0.1481557 -0.1481557 -0.0000000), wk = 0.0023474 k( 290) = ( 0.1426685 -0.1426685 -0.0000000), wk = 0.0023474 k( 291) = ( 0.1371812 -0.1371812 0.0000000), wk = 0.0023474 k( 292) = ( 0.1316940 -0.1316940 0.0000000), wk = 0.0023474 k( 293) = ( 0.1262067 -0.1262067 0.0000000), wk = 0.0023474 k( 294) = ( 0.1207195 -0.1207195 -0.0000000), wk = 0.0023474 k( 295) = ( 0.1152322 -0.1152322 -0.0000000), wk = 0.0023474 k( 296) = ( 0.1097450 -0.1097450 0.0000000), wk = 0.0023474 k( 297) = ( 0.1042577 -0.1042577 -0.0000000), wk = 0.0023474 k( 298) = ( 0.0987705 -0.0987705 0.0000000), wk = 0.0023474 k( 299) = ( 0.0932832 -0.0932832 0.0000000), wk = 0.0023474 k( 300) = ( 0.0877960 -0.0877960 -0.0000000), wk = 0.0023474 k( 301) = ( 0.0823087 -0.0823087 0.0000000), wk = 0.0023474 k( 302) = ( 0.0768215 -0.0768215 -0.0000000), wk = 0.0023474 k( 303) = ( 0.0713342 -0.0713342 0.0000000), wk = 0.0023474 k( 304) = ( 0.0658470 -0.0658470 0.0000000), wk = 0.0023474 k( 305) = ( 0.0603597 -0.0603597 -0.0000000), wk = 0.0023474 k( 306) = ( 0.0548725 -0.0548725 0.0000000), wk = 0.0023474 k( 307) = ( 0.0493852 -0.0493852 0.0000000), wk = 0.0023474 k( 308) = ( 0.0438980 -0.0438980 -0.0000000), wk = 0.0023474 k( 309) = ( 0.0384107 -0.0384107 -0.0000000), wk = 0.0023474 k( 310) = ( 0.0329235 -0.0329235 0.0000000), wk = 0.0023474 k( 311) = ( 0.0274362 -0.0274362 0.0000000), wk = 0.0023474 k( 312) = ( 0.0219490 -0.0219490 -0.0000000), wk = 0.0023474 k( 313) = ( 0.0164618 -0.0164617 0.0000000), wk = 0.0023474 k( 314) = ( 0.0109745 -0.0109745 -0.0000000), wk = 0.0023474 k( 315) = ( 0.0054872 -0.0054872 -0.0000000), wk = 0.0023474 k( 316) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 317) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 318) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0023474 k( 319) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0023474 k( 320) = ( 0.0283019 0.0000000 -0.0000000), wk = 0.0023474 k( 321) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0023474 k( 322) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0023474 k( 323) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0023474 k( 324) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0023474 k( 325) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0023474 k( 326) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0023474 k( 327) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0023474 k( 328) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0023474 k( 329) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0023474 k( 330) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0023474 k( 331) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0023474 k( 332) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0023474 k( 333) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0023474 k( 334) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0023474 k( 335) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0023474 k( 336) = ( 0.1792453 0.0000000 -0.0000000), wk = 0.0023474 k( 337) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0023474 k( 338) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0023474 k( 339) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0023474 k( 340) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0023474 k( 341) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0023474 k( 342) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0023474 k( 343) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0023474 k( 344) = ( 0.2547170 0.0000000 -0.0000000), wk = 0.0023474 k( 345) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0023474 k( 346) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0023474 k( 347) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0023474 k( 348) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0023474 k( 349) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0023474 k( 350) = ( 0.3113207 0.0000000 -0.0000000), wk = 0.0023474 k( 351) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0023474 k( 352) = ( 0.3301887 0.0000000 -0.0000000), wk = 0.0023474 k( 353) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0023474 k( 354) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0023474 k( 355) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0023474 k( 356) = ( 0.3679245 0.0000000 -0.0000000), wk = 0.0023474 k( 357) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0023474 k( 358) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0023474 k( 359) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0023474 k( 360) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0023474 k( 361) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0023474 k( 362) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0023474 k( 363) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0023474 k( 364) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0023474 k( 365) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0023474 k( 366) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0023474 k( 367) = ( 0.4716981 0.0000000 0.0000000), wk = 0.0023474 k( 368) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0023474 k( 369) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0023474 k( 370) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023474 k( 371) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023474 k( 372) = ( 0.4909091 0.0000000 0.4909091), wk = 0.0023474 k( 373) = ( 0.4818182 0.0000000 0.4818182), wk = 0.0023474 k( 374) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0023474 k( 375) = ( 0.4636364 0.0000000 0.4636364), wk = 0.0023474 k( 376) = ( 0.4545455 0.0000000 0.4545454), wk = 0.0023474 k( 377) = ( 0.4454546 0.0000000 0.4454546), wk = 0.0023474 k( 378) = ( 0.4363636 0.0000000 0.4363636), wk = 0.0023474 k( 379) = ( 0.4272727 0.0000000 0.4272727), wk = 0.0023474 k( 380) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0023474 k( 381) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0023474 k( 382) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0023474 k( 383) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0023474 k( 384) = ( 0.3818182 0.0000000 0.3818182), wk = 0.0023474 k( 385) = ( 0.3727273 0.0000000 0.3727273), wk = 0.0023474 k( 386) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0023474 k( 387) = ( 0.3545454 0.0000000 0.3545454), wk = 0.0023474 k( 388) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0023474 k( 389) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0023474 k( 390) = ( 0.3272727 0.0000000 0.3272727), wk = 0.0023474 k( 391) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0023474 k( 392) = ( 0.3090909 0.0000000 0.3090909), wk = 0.0023474 k( 393) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0023474 k( 394) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0023474 k( 395) = ( 0.2818182 0.0000000 0.2818182), wk = 0.0023474 k( 396) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0023474 k( 397) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0023474 k( 398) = ( 0.2545455 0.0000000 0.2545455), wk = 0.0023474 k( 399) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0023474 k( 400) = ( 0.2363636 0.0000000 0.2363636), wk = 0.0023474 k( 401) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0023474 k( 402) = ( 0.2181818 0.0000000 0.2181818), wk = 0.0023474 k( 403) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0023474 k( 404) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0023474 k( 405) = ( 0.1909091 0.0000000 0.1909091), wk = 0.0023474 k( 406) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0023474 k( 407) = ( 0.1727273 0.0000000 0.1727273), wk = 0.0023474 k( 408) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0023474 k( 409) = ( 0.1545455 0.0000000 0.1545455), wk = 0.0023474 k( 410) = ( 0.1454545 0.0000000 0.1454545), wk = 0.0023474 k( 411) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0023474 k( 412) = ( 0.1272727 0.0000000 0.1272727), wk = 0.0023474 k( 413) = ( 0.1181818 0.0000000 0.1181818), wk = 0.0023474 k( 414) = ( 0.1090909 0.0000000 0.1090909), wk = 0.0023474 k( 415) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0023474 k( 416) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0023474 k( 417) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0023474 k( 418) = ( 0.0727273 0.0000000 0.0727273), wk = 0.0023474 k( 419) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0023474 k( 420) = ( 0.0545455 0.0000000 0.0545455), wk = 0.0023474 k( 421) = ( 0.0454546 0.0000000 0.0454545), wk = 0.0023474 k( 422) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0023474 k( 423) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0023474 k( 424) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0023474 k( 425) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0023474 k( 426) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 Dense grid: 118665 G-vectors FFT dimensions: ( 45, 45, 144) Smooth grid: 33347 G-vectors FFT dimensions: ( 30, 30, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 192, 34) NL pseudopotentials 0.15 Mb ( 96, 102) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2476) G-vector shells 0.02 Mb ( 2244) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 192, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CrS2.save/charge-density.dat negative rho (up, down): 2.490E-04 0.000E+00 Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.3 secs Computing kpt #: 2 total cpu time spent up to now is 51.1 secs Computing kpt #: 3 total cpu time spent up to now is 51.8 secs Computing kpt #: 4 total cpu time spent up to now is 52.6 secs Computing kpt #: 5 total cpu time spent up to now is 53.2 secs Computing kpt #: 6 total cpu time spent up to now is 53.9 secs Computing kpt #: 7 total cpu time spent up to now is 54.6 secs Computing kpt #: 8 total cpu time spent up to now is 55.3 secs Computing kpt #: 9 total cpu time spent up to now is 55.9 secs Computing kpt #: 10 total cpu time spent up to now is 56.6 secs Computing kpt #: 11 total cpu time spent up to now is 57.4 secs Computing kpt #: 12 total cpu time spent up to now is 58.1 secs Computing kpt #: 13 total cpu time spent up to now is 58.8 secs Computing kpt #: 14 total cpu time spent up to now is 59.5 secs Computing kpt #: 15 total cpu time spent up to now is 60.2 secs Computing kpt #: 16 total cpu time spent up to now is 60.9 secs Computing kpt #: 17 total cpu time spent up to now is 61.5 secs Computing kpt #: 18 total cpu time spent up to now is 62.2 secs Computing kpt #: 19 total cpu time spent up to now is 62.9 secs Computing kpt #: 20 total cpu time spent up to now is 63.6 secs Computing kpt #: 21 total cpu time spent up to now is 64.3 secs Computing kpt #: 22 total cpu time spent up to now is 65.0 secs Computing kpt #: 23 total cpu time spent up to now is 65.7 secs Computing kpt #: 24 total cpu time spent up to now is 66.4 secs Computing kpt #: 25 total cpu time spent up to now is 67.1 secs Computing kpt #: 26 total cpu time spent up to now is 67.9 secs Computing kpt #: 27 total cpu time spent up to now is 68.6 secs Computing kpt #: 28 total cpu time spent up to now is 69.9 secs Computing kpt #: 29 total cpu time spent up to now is 71.9 secs Computing kpt #: 30 total cpu time spent up to now is 73.6 secs Computing kpt #: 31 total cpu time spent up to now is 74.4 secs Computing kpt #: 32 total cpu time spent up to now is 75.1 secs Computing kpt #: 33 total cpu time spent up to now is 75.9 secs Computing kpt #: 34 total cpu time spent up to now is 76.6 secs Computing kpt #: 35 total cpu time spent up to now is 77.4 secs Computing kpt #: 36 total cpu time spent up to now is 78.2 secs Computing kpt #: 37 total cpu time spent up to now is 80.8 secs Computing kpt #: 38 total cpu time spent up to now is 83.1 secs Computing kpt #: 39 total cpu time spent up to now is 86.8 secs Computing kpt #: 40 total cpu time spent up to now is 88.5 secs Computing kpt #: 41 total cpu time spent up to now is 89.5 secs Computing kpt #: 42 total cpu time spent up to now is 90.5 secs Computing kpt #: 43 total cpu time spent up to now is 91.5 secs Computing kpt #: 44 total cpu time spent up to now is 92.2 secs Computing kpt #: 45 total cpu time spent up to now is 93.1 secs Computing kpt #: 46 total cpu time spent up to now is 94.0 secs Computing kpt #: 47 total cpu time spent up to now is 94.9 secs Computing kpt #: 48 total cpu time spent up to now is 95.8 secs Computing kpt #: 49 total cpu time spent up to now is 96.7 secs Computing kpt #: 50 total cpu time spent up to now is 97.4 secs Computing kpt #: 51 total cpu time spent up to now is 98.2 secs Computing kpt #: 52 total cpu time spent up to now is 98.9 secs Computing kpt #: 53 total cpu time spent up to now is 99.6 secs Computing kpt #: 54 total cpu time spent up to now is 100.4 secs Computing kpt #: 55 total cpu time spent up to now is 101.2 secs Computing kpt #: 56 total cpu time spent up to now is 101.9 secs Computing kpt #: 57 total cpu time spent up to now is 102.6 secs Computing kpt #: 58 total cpu time spent up to now is 103.4 secs Computing kpt #: 59 total cpu time spent up to now is 104.1 secs Computing kpt #: 60 total cpu time spent up to now is 104.8 secs Computing kpt #: 61 total cpu time spent up to now is 105.7 secs Computing kpt #: 62 total cpu time spent up to now is 106.4 secs Computing kpt #: 63 total cpu time spent up to now is 107.1 secs Computing kpt #: 64 total cpu time spent up to now is 107.8 secs Computing kpt #: 65 total cpu time spent up to now is 108.6 secs Computing kpt #: 66 total cpu time spent up to now is 109.3 secs Computing kpt #: 67 total cpu time spent up to now is 110.0 secs Computing kpt #: 68 total cpu time spent up to now is 110.7 secs Computing kpt #: 69 total cpu time spent up to now is 111.4 secs Computing kpt #: 70 total cpu time spent up to now is 112.5 secs Computing kpt #: 71 total cpu time spent up to now is 113.7 secs Computing kpt #: 72 total cpu time spent up to now is 115.6 secs Computing kpt #: 73 total cpu time spent up to now is 116.4 secs Computing kpt #: 74 total cpu time spent up to now is 117.5 secs Computing kpt #: 75 total cpu time spent up to now is 118.8 secs Computing kpt #: 76 total cpu time spent up to now is 120.7 secs Computing kpt #: 77 total cpu time spent up to now is 122.7 secs Computing kpt #: 78 total cpu time spent up to now is 123.5 secs Computing kpt #: 79 total cpu time spent up to now is 124.2 secs Computing kpt #: 80 total cpu time spent up to now is 125.0 secs Computing kpt #: 81 total cpu time spent up to now is 129.0 secs Computing kpt #: 82 total cpu time spent up to now is 130.2 secs Computing kpt #: 83 total cpu time spent up to now is 130.9 secs Computing kpt #: 84 total cpu time spent up to now is 131.6 secs Computing kpt #: 85 total cpu time spent up to now is 132.4 secs Computing kpt #: 86 total cpu time spent up to now is 133.2 secs Computing kpt #: 87 total cpu time spent up to now is 133.9 secs Computing kpt #: 88 total cpu time spent up to now is 134.6 secs Computing kpt #: 89 total cpu time spent up to now is 135.5 secs Computing kpt #: 90 total cpu time spent up to now is 136.3 secs Computing kpt #: 91 total cpu time spent up to now is 137.0 secs Computing kpt #: 92 total cpu time spent up to now is 137.7 secs Computing kpt #: 93 total cpu time spent up to now is 138.3 secs Computing kpt #: 94 total cpu time spent up to now is 139.0 secs Computing kpt #: 95 total cpu time spent up to now is 139.6 secs Computing kpt #: 96 total cpu time spent up to now is 140.2 secs Computing kpt #: 97 total cpu time spent up to now is 141.0 secs Computing kpt #: 98 total cpu time spent up to now is 141.7 secs Computing kpt #: 99 total cpu time spent up to now is 142.4 secs Computing kpt #: 100 total cpu time spent up to now is 143.0 secs Computing kpt #: 101 total cpu time spent up to now is 143.7 secs Computing kpt #: 102 total cpu time spent up to now is 144.3 secs Computing kpt #: 103 total cpu time spent up to now is 144.9 secs Computing kpt #: 104 total cpu time spent up to now is 145.6 secs Computing kpt #: 105 total cpu time spent up to now is 146.2 secs Computing kpt #: 106 total cpu time spent up to now is 146.8 secs Computing kpt #: 107 total cpu time spent up to now is 147.5 secs Computing kpt #: 108 total cpu time spent up to now is 148.2 secs Computing kpt #: 109 total cpu time spent up to now is 148.8 secs Computing kpt #: 110 total cpu time spent up to now is 149.5 secs Computing kpt #: 111 total cpu time spent up to now is 150.1 secs Computing kpt #: 112 total cpu time spent up to now is 150.7 secs Computing kpt #: 113 total cpu time spent up to now is 151.4 secs Computing kpt #: 114 total cpu time spent up to now is 152.0 secs Computing kpt #: 115 total cpu time spent up to now is 152.8 secs Computing kpt #: 116 total cpu time spent up to now is 154.7 secs Computing kpt #: 117 total cpu time spent up to now is 156.6 secs Computing kpt #: 118 total cpu time spent up to now is 157.3 secs Computing kpt #: 119 total cpu time spent up to now is 158.0 secs Computing kpt #: 120 total cpu time spent up to now is 158.7 secs Computing kpt #: 121 total cpu time spent up to now is 160.5 secs Computing kpt #: 122 total cpu time spent up to now is 162.0 secs Computing kpt #: 123 total cpu time spent up to now is 164.4 secs Computing kpt #: 124 total cpu time spent up to now is 166.5 secs Computing kpt #: 125 total cpu time spent up to now is 169.9 secs Computing kpt #: 126 total cpu time spent up to now is 170.7 secs Computing kpt #: 127 total cpu time spent up to now is 171.4 secs Computing kpt #: 128 total cpu time spent up to now is 172.2 secs Computing kpt #: 129 total cpu time spent up to now is 173.0 secs Computing kpt #: 130 total cpu time spent up to now is 173.7 secs Computing kpt #: 131 total cpu time spent up to now is 174.5 secs Computing kpt #: 132 total cpu time spent up to now is 175.3 secs Computing kpt #: 133 total cpu time spent up to now is 176.0 secs Computing kpt #: 134 total cpu time spent up to now is 176.8 secs Computing kpt #: 135 total cpu time spent up to now is 177.5 secs Computing kpt #: 136 total cpu time spent up to now is 178.3 secs Computing kpt #: 137 total cpu time spent up to now is 179.1 secs Computing kpt #: 138 total cpu time spent up to now is 179.8 secs Computing kpt #: 139 total cpu time spent up to now is 180.6 secs Computing kpt #: 140 total cpu time spent up to now is 181.3 secs Computing kpt #: 141 total cpu time spent up to now is 182.1 secs Computing kpt #: 142 total cpu time spent up to now is 182.8 secs Computing kpt #: 143 total cpu time spent up to now is 183.6 secs Computing kpt #: 144 total cpu time spent up to now is 184.3 secs Computing kpt #: 145 total cpu time spent up to now is 185.1 secs Computing kpt #: 146 total cpu time spent up to now is 185.7 secs Computing kpt #: 147 total cpu time spent up to now is 186.4 secs Computing kpt #: 148 total cpu time spent up to now is 187.1 secs Computing kpt #: 149 total cpu time spent up to now is 187.8 secs Computing kpt #: 150 total cpu time spent up to now is 188.6 secs Computing kpt #: 151 total cpu time spent up to now is 189.3 secs Computing kpt #: 152 total cpu time spent up to now is 190.0 secs Computing kpt #: 153 total cpu time spent up to now is 190.7 secs Computing kpt #: 154 total cpu time spent up to now is 191.5 secs Computing kpt #: 155 total cpu time spent up to now is 192.2 secs Computing kpt #: 156 total cpu time spent up to now is 192.9 secs Computing kpt #: 157 total cpu time spent up to now is 193.6 secs Computing kpt #: 158 total cpu time spent up to now is 194.3 secs Computing kpt #: 159 total cpu time spent up to now is 196.4 secs Computing kpt #: 160 total cpu time spent up to now is 197.7 secs Computing kpt #: 161 total cpu time spent up to now is 199.6 secs Computing kpt #: 162 total cpu time spent up to now is 200.4 secs Computing kpt #: 163 total cpu time spent up to now is 201.1 secs Computing kpt #: 164 total cpu time spent up to now is 201.8 secs Computing kpt #: 165 total cpu time spent up to now is 202.4 secs Computing kpt #: 166 total cpu time spent up to now is 203.1 secs Computing kpt #: 167 total cpu time spent up to now is 203.8 secs Computing kpt #: 168 total cpu time spent up to now is 204.5 secs Computing kpt #: 169 total cpu time spent up to now is 205.6 secs Computing kpt #: 170 total cpu time spent up to now is 207.1 secs Computing kpt #: 171 total cpu time spent up to now is 209.9 secs Computing kpt #: 172 total cpu time spent up to now is 214.6 secs Computing kpt #: 173 total cpu time spent up to now is 215.8 secs Computing kpt #: 174 total cpu time spent up to now is 216.4 secs Computing kpt #: 175 total cpu time spent up to now is 217.1 secs Computing kpt #: 176 total cpu time spent up to now is 217.9 secs Computing kpt #: 177 total cpu time spent up to now is 218.7 secs Computing kpt #: 178 total cpu time spent up to now is 219.4 secs Computing kpt #: 179 total cpu time spent up to now is 220.1 secs Computing kpt #: 180 total cpu time spent up to now is 220.8 secs Computing kpt #: 181 total cpu time spent up to now is 221.5 secs Computing kpt #: 182 total cpu time spent up to now is 222.3 secs Computing kpt #: 183 total cpu time spent up to now is 223.1 secs Computing kpt #: 184 total cpu time spent up to now is 223.9 secs Computing kpt #: 185 total cpu time spent up to now is 224.5 secs Computing kpt #: 186 total cpu time spent up to now is 225.2 secs Computing kpt #: 187 total cpu time spent up to now is 225.9 secs Computing kpt #: 188 total cpu time spent up to now is 226.6 secs Computing kpt #: 189 total cpu time spent up to now is 227.4 secs Computing kpt #: 190 total cpu time spent up to now is 228.2 secs Computing kpt #: 191 total cpu time spent up to now is 228.9 secs Computing kpt #: 192 total cpu time spent up to now is 229.5 secs Computing kpt #: 193 total cpu time spent up to now is 230.3 secs Computing kpt #: 194 total cpu time spent up to now is 231.0 secs Computing kpt #: 195 total cpu time spent up to now is 231.9 secs Computing kpt #: 196 total cpu time spent up to now is 232.6 secs Computing kpt #: 197 total cpu time spent up to now is 233.4 secs Computing kpt #: 198 total cpu time spent up to now is 234.1 secs Computing kpt #: 199 total cpu time spent up to now is 234.9 secs Computing kpt #: 200 total cpu time spent up to now is 235.6 secs Computing kpt #: 201 total cpu time spent up to now is 236.4 secs Computing kpt #: 202 total cpu time spent up to now is 237.5 secs Computing kpt #: 203 total cpu time spent up to now is 239.2 secs Computing kpt #: 204 total cpu time spent up to now is 240.7 secs Computing kpt #: 205 total cpu time spent up to now is 243.3 secs Computing kpt #: 206 total cpu time spent up to now is 244.1 secs Computing kpt #: 207 total cpu time spent up to now is 244.8 secs Computing kpt #: 208 total cpu time spent up to now is 245.6 secs Computing kpt #: 209 total cpu time spent up to now is 246.7 secs Computing kpt #: 210 total cpu time spent up to now is 247.6 secs Computing kpt #: 211 total cpu time spent up to now is 250.8 secs Computing kpt #: 212 total cpu time spent up to now is 252.3 secs Computing kpt #: 213 total cpu time spent up to now is 255.1 secs Computing kpt #: 214 total cpu time spent up to now is 255.8 secs Computing kpt #: 215 total cpu time spent up to now is 256.9 secs Computing kpt #: 216 total cpu time spent up to now is 257.6 secs Computing kpt #: 217 total cpu time spent up to now is 258.4 secs Computing kpt #: 218 total cpu time spent up to now is 259.1 secs Computing kpt #: 219 total cpu time spent up to now is 259.9 secs Computing kpt #: 220 total cpu time spent up to now is 260.6 secs Computing kpt #: 221 total cpu time spent up to now is 261.4 secs Computing kpt #: 222 total cpu time spent up to now is 262.1 secs Computing kpt #: 223 total cpu time spent up to now is 263.0 secs Computing kpt #: 224 total cpu time spent up to now is 263.7 secs Computing kpt #: 225 total cpu time spent up to now is 264.5 secs Computing kpt #: 226 total cpu time spent up to now is 265.2 secs Computing kpt #: 227 total cpu time spent up to now is 265.9 secs Computing kpt #: 228 total cpu time spent up to now is 266.6 secs Computing kpt #: 229 total cpu time spent up to now is 267.4 secs Computing kpt #: 230 total cpu time spent up to now is 268.1 secs Computing kpt #: 231 total cpu time spent up to now is 268.9 secs Computing kpt #: 232 total cpu time spent up to now is 269.6 secs Computing kpt #: 233 total cpu time spent up to now is 270.3 secs Computing kpt #: 234 total cpu time spent up to now is 271.0 secs Computing kpt #: 235 total cpu time spent up to now is 271.7 secs Computing kpt #: 236 total cpu time spent up to now is 272.4 secs Computing kpt #: 237 total cpu time spent up to now is 273.1 secs Computing kpt #: 238 total cpu time spent up to now is 273.8 secs Computing kpt #: 239 total cpu time spent up to now is 274.6 secs Computing kpt #: 240 total cpu time spent up to now is 275.2 secs Computing kpt #: 241 total cpu time spent up to now is 275.9 secs Computing kpt #: 242 total cpu time spent up to now is 276.5 secs Computing kpt #: 243 total cpu time spent up to now is 277.2 secs Computing kpt #: 244 total cpu time spent up to now is 277.9 secs Computing kpt #: 245 total cpu time spent up to now is 278.5 secs Computing kpt #: 246 total cpu time spent up to now is 279.2 secs Computing kpt #: 247 total cpu time spent up to now is 280.7 secs Computing kpt #: 248 total cpu time spent up to now is 282.9 secs Computing kpt #: 249 total cpu time spent up to now is 285.0 secs Computing kpt #: 250 total cpu time spent up to now is 285.7 secs Computing kpt #: 251 total cpu time spent up to now is 286.4 secs Computing kpt #: 252 total cpu time spent up to now is 287.0 secs Computing kpt #: 253 total cpu time spent up to now is 287.6 secs Computing kpt #: 254 total cpu time spent up to now is 288.3 secs Computing kpt #: 255 total cpu time spent up to now is 290.1 secs Computing kpt #: 256 total cpu time spent up to now is 292.8 secs Computing kpt #: 257 total cpu time spent up to now is 296.6 secs Computing kpt #: 258 total cpu time spent up to now is 299.9 secs Computing kpt #: 259 total cpu time spent up to now is 301.1 secs Computing kpt #: 260 total cpu time spent up to now is 301.7 secs Computing kpt #: 261 total cpu time spent up to now is 302.4 secs Computing kpt #: 262 total cpu time spent up to now is 303.0 secs Computing kpt #: 263 total cpu time spent up to now is 303.7 secs Computing kpt #: 264 total cpu time spent up to now is 304.4 secs Computing kpt #: 265 total cpu time spent up to now is 305.1 secs Computing kpt #: 266 total cpu time spent up to now is 305.9 secs Computing kpt #: 267 total cpu time spent up to now is 306.5 secs Computing kpt #: 268 total cpu time spent up to now is 307.2 secs Computing kpt #: 269 total cpu time spent up to now is 307.9 secs Computing kpt #: 270 total cpu time spent up to now is 308.6 secs Computing kpt #: 271 total cpu time spent up to now is 309.4 secs Computing kpt #: 272 total cpu time spent up to now is 310.1 secs Computing kpt #: 273 total cpu time spent up to now is 310.8 secs Computing kpt #: 274 total cpu time spent up to now is 311.5 secs Computing kpt #: 275 total cpu time spent up to now is 312.2 secs Computing kpt #: 276 total cpu time spent up to now is 313.0 secs Computing kpt #: 277 total cpu time spent up to now is 313.7 secs Computing kpt #: 278 total cpu time spent up to now is 314.4 secs Computing kpt #: 279 total cpu time spent up to now is 315.2 secs Computing kpt #: 280 total cpu time spent up to now is 316.0 secs Computing kpt #: 281 total cpu time spent up to now is 316.8 secs Computing kpt #: 282 total cpu time spent up to now is 317.5 secs Computing kpt #: 283 total cpu time spent up to now is 318.3 secs Computing kpt #: 284 total cpu time spent up to now is 319.0 secs Computing kpt #: 285 total cpu time spent up to now is 319.8 secs Computing kpt #: 286 total cpu time spent up to now is 320.5 secs Computing kpt #: 287 total cpu time spent up to now is 321.3 secs Computing kpt #: 288 total cpu time spent up to now is 322.1 secs Computing kpt #: 289 total cpu time spent up to now is 322.9 secs Computing kpt #: 290 total cpu time spent up to now is 323.7 secs Computing kpt #: 291 total cpu time spent up to now is 324.4 secs Computing kpt #: 292 total cpu time spent up to now is 325.1 secs Computing kpt #: 293 total cpu time spent up to now is 326.0 secs Computing kpt #: 294 total cpu time spent up to now is 326.8 secs Computing kpt #: 295 total cpu time spent up to now is 328.9 secs Computing kpt #: 296 total cpu time spent up to now is 329.8 secs Computing kpt #: 297 total cpu time spent up to now is 331.0 secs Computing kpt #: 298 total cpu time spent up to now is 331.9 secs Computing kpt #: 299 total cpu time spent up to now is 333.5 secs Computing kpt #: 300 total cpu time spent up to now is 334.2 secs Computing kpt #: 301 total cpu time spent up to now is 334.9 secs Computing kpt #: 302 total cpu time spent up to now is 335.6 secs Computing kpt #: 303 total cpu time spent up to now is 336.4 secs Computing kpt #: 304 total cpu time spent up to now is 337.5 secs Computing kpt #: 305 total cpu time spent up to now is 339.0 secs Computing kpt #: 306 total cpu time spent up to now is 342.0 secs Computing kpt #: 307 total cpu time spent up to now is 344.2 secs Computing kpt #: 308 total cpu time spent up to now is 344.9 secs Computing kpt #: 309 total cpu time spent up to now is 345.6 secs Computing kpt #: 310 total cpu time spent up to now is 346.3 secs Computing kpt #: 311 total cpu time spent up to now is 347.0 secs Computing kpt #: 312 total cpu time spent up to now is 347.8 secs Computing kpt #: 313 total cpu time spent up to now is 348.5 secs Computing kpt #: 314 total cpu time spent up to now is 349.3 secs Computing kpt #: 315 total cpu time spent up to now is 350.0 secs Computing kpt #: 316 total cpu time spent up to now is 350.6 secs Computing kpt #: 317 total cpu time spent up to now is 351.3 secs Computing kpt #: 318 total cpu time spent up to now is 351.9 secs Computing kpt #: 319 total cpu time spent up to now is 352.7 secs Computing kpt #: 320 total cpu time spent up to now is 353.4 secs Computing kpt #: 321 total cpu time spent up to now is 354.1 secs Computing kpt #: 322 total cpu time spent up to now is 354.8 secs Computing kpt #: 323 total cpu time spent up to now is 355.5 secs Computing kpt #: 324 total cpu time spent up to now is 356.2 secs Computing kpt #: 325 total cpu time spent up to now is 356.9 secs Computing kpt #: 326 total cpu time spent up to now is 357.8 secs Computing kpt #: 327 total cpu time spent up to now is 358.5 secs Computing kpt #: 328 total cpu time spent up to now is 359.2 secs Computing kpt #: 329 total cpu time spent up to now is 359.9 secs Computing kpt #: 330 total cpu time spent up to now is 360.6 secs Computing kpt #: 331 total cpu time spent up to now is 361.3 secs Computing kpt #: 332 total cpu time spent up to now is 362.0 secs Computing kpt #: 333 total cpu time spent up to now is 362.7 secs Computing kpt #: 334 total cpu time spent up to now is 363.5 secs Computing kpt #: 335 total cpu time spent up to now is 364.2 secs Computing kpt #: 336 total cpu time spent up to now is 364.9 secs Computing kpt #: 337 total cpu time spent up to now is 365.6 secs Computing kpt #: 338 total cpu time spent up to now is 366.8 secs Computing kpt #: 339 total cpu time spent up to now is 367.6 secs Computing kpt #: 340 total cpu time spent up to now is 368.3 secs Computing kpt #: 341 total cpu time spent up to now is 369.0 secs Computing kpt #: 342 total cpu time spent up to now is 370.6 secs Computing kpt #: 343 total cpu time spent up to now is 372.2 secs Computing kpt #: 344 total cpu time spent up to now is 373.0 secs Computing kpt #: 345 total cpu time spent up to now is 373.8 secs Computing kpt #: 346 total cpu time spent up to now is 375.0 secs Computing kpt #: 347 total cpu time spent up to now is 375.8 secs Computing kpt #: 348 total cpu time spent up to now is 376.5 secs Computing kpt #: 349 total cpu time spent up to now is 377.3 secs Computing kpt #: 350 total cpu time spent up to now is 378.4 secs Computing kpt #: 351 total cpu time spent up to now is 381.0 secs Computing kpt #: 352 total cpu time spent up to now is 383.4 secs Computing kpt #: 353 total cpu time spent up to now is 386.5 secs Computing kpt #: 354 total cpu time spent up to now is 387.2 secs Computing kpt #: 355 total cpu time spent up to now is 388.0 secs Computing kpt #: 356 total cpu time spent up to now is 388.7 secs Computing kpt #: 357 total cpu time spent up to now is 389.4 secs Computing kpt #: 358 total cpu time spent up to now is 390.2 secs Computing kpt #: 359 total cpu time spent up to now is 391.1 secs Computing kpt #: 360 total cpu time spent up to now is 391.8 secs Computing kpt #: 361 total cpu time spent up to now is 392.6 secs Computing kpt #: 362 total cpu time spent up to now is 393.4 secs Computing kpt #: 363 total cpu time spent up to now is 394.1 secs Computing kpt #: 364 total cpu time spent up to now is 394.9 secs Computing kpt #: 365 total cpu time spent up to now is 395.7 secs Computing kpt #: 366 total cpu time spent up to now is 396.6 secs Computing kpt #: 367 total cpu time spent up to now is 397.3 secs Computing kpt #: 368 total cpu time spent up to now is 398.1 secs Computing kpt #: 369 total cpu time spent up to now is 398.9 secs Computing kpt #: 370 total cpu time spent up to now is 399.7 secs Computing kpt #: 371 total cpu time spent up to now is 400.5 secs Computing kpt #: 372 total cpu time spent up to now is 401.2 secs Computing kpt #: 373 total cpu time spent up to now is 402.0 secs Computing kpt #: 374 total cpu time spent up to now is 402.8 secs Computing kpt #: 375 total cpu time spent up to now is 403.5 secs Computing kpt #: 376 total cpu time spent up to now is 404.3 secs Computing kpt #: 377 total cpu time spent up to now is 405.0 secs Computing kpt #: 378 total cpu time spent up to now is 405.8 secs Computing kpt #: 379 total cpu time spent up to now is 406.6 secs Computing kpt #: 380 total cpu time spent up to now is 407.3 secs Computing kpt #: 381 total cpu time spent up to now is 408.3 secs Computing kpt #: 382 total cpu time spent up to now is 409.1 secs Computing kpt #: 383 total cpu time spent up to now is 409.8 secs Computing kpt #: 384 total cpu time spent up to now is 410.5 secs Computing kpt #: 385 total cpu time spent up to now is 411.3 secs Computing kpt #: 386 total cpu time spent up to now is 412.5 secs Computing kpt #: 387 total cpu time spent up to now is 413.9 secs Computing kpt #: 388 total cpu time spent up to now is 414.8 secs Computing kpt #: 389 total cpu time spent up to now is 415.6 secs Computing kpt #: 390 total cpu time spent up to now is 416.4 secs Computing kpt #: 391 total cpu time spent up to now is 417.1 secs Computing kpt #: 392 total cpu time spent up to now is 417.9 secs Computing kpt #: 393 total cpu time spent up to now is 418.6 secs Computing kpt #: 394 total cpu time spent up to now is 420.5 secs Computing kpt #: 395 total cpu time spent up to now is 421.5 secs Computing kpt #: 396 total cpu time spent up to now is 425.0 secs Computing kpt #: 397 total cpu time spent up to now is 428.3 secs Computing kpt #: 398 total cpu time spent up to now is 430.1 secs Computing kpt #: 399 total cpu time spent up to now is 430.9 secs Computing kpt #: 400 total cpu time spent up to now is 431.6 secs Computing kpt #: 401 total cpu time spent up to now is 432.3 secs Computing kpt #: 402 total cpu time spent up to now is 433.1 secs Computing kpt #: 403 total cpu time spent up to now is 433.8 secs Computing kpt #: 404 total cpu time spent up to now is 434.6 secs Computing kpt #: 405 total cpu time spent up to now is 435.4 secs Computing kpt #: 406 total cpu time spent up to now is 436.1 secs Computing kpt #: 407 total cpu time spent up to now is 436.8 secs Computing kpt #: 408 total cpu time spent up to now is 437.6 secs Computing kpt #: 409 total cpu time spent up to now is 438.3 secs Computing kpt #: 410 total cpu time spent up to now is 439.1 secs Computing kpt #: 411 total cpu time spent up to now is 439.8 secs Computing kpt #: 412 total cpu time spent up to now is 440.7 secs Computing kpt #: 413 total cpu time spent up to now is 441.4 secs Computing kpt #: 414 total cpu time spent up to now is 442.1 secs Computing kpt #: 415 total cpu time spent up to now is 442.9 secs Computing kpt #: 416 total cpu time spent up to now is 443.7 secs Computing kpt #: 417 total cpu time spent up to now is 444.4 secs Computing kpt #: 418 total cpu time spent up to now is 445.1 secs Computing kpt #: 419 total cpu time spent up to now is 445.8 secs Computing kpt #: 420 total cpu time spent up to now is 446.6 secs Computing kpt #: 421 total cpu time spent up to now is 447.4 secs Computing kpt #: 422 total cpu time spent up to now is 448.1 secs Computing kpt #: 423 total cpu time spent up to now is 448.8 secs Computing kpt #: 424 total cpu time spent up to now is 449.6 secs Computing kpt #: 425 total cpu time spent up to now is 450.3 secs Computing kpt #: 426 total cpu time spent up to now is 450.9 secs ethr = 3.85E-11, avg # of iterations = 17.4 total cpu time spent up to now is 451.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4181 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4054 -3.4054 -1.9647 -1.9647 -1.8143 -1.8143 0.0031 0.0031 0.6282 0.6282 0.7646 0.7646 1.1318 1.1318 1.3650 1.3650 1.5272 1.5272 4.0367 4.0367 4.0595 4.0595 k = 0.0091 0.0054-0.0010 ( 4177 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9195 -41.9195 -41.7243 -41.7243 -12.5590 -12.5590 -11.1497 -11.1497 -3.4043 -3.4043 -1.9643 -1.9643 -1.8170 -1.8170 0.0057 0.0057 0.6225 0.6225 0.7598 0.7598 1.1366 1.1366 1.3557 1.3557 1.5364 1.5364 4.0340 4.0340 4.0568 4.0568 k = 0.0182 0.0109-0.0021 ( 4176 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9195 -41.9195 -41.7243 -41.7243 -12.5560 -12.5560 -11.1485 -11.1485 -3.4011 -3.4011 -1.9633 -1.9633 -1.8253 -1.8253 0.0133 0.0133 0.6062 0.6062 0.7454 0.7454 1.1504 1.1504 1.3330 1.3330 1.5592 1.5592 4.0246 4.0246 4.0503 4.0503 k = 0.0273 0.0163-0.0031 ( 4170 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9196 -41.9196 -41.7243 -41.7243 -12.5510 -12.5510 -11.1464 -11.1464 -3.3958 -3.3958 -1.9615 -1.9615 -1.8390 -1.8390 0.0257 0.0257 0.5809 0.5809 0.7210 0.7210 1.1711 1.1711 1.3052 1.3052 1.5881 1.5881 4.0065 4.0065 4.0424 4.0424 k = 0.0364 0.0217-0.0041 ( 4161 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9197 -41.9197 -41.7243 -41.7243 -12.5440 -12.5440 -11.1435 -11.1435 -3.3883 -3.3883 -1.9591 -1.9591 -1.8577 -1.8577 0.0426 0.0426 0.5486 0.5486 0.6865 0.6865 1.1952 1.1952 1.2785 1.2785 1.6188 1.6188 3.9794 3.9794 4.0339 4.0339 k = 0.0455 0.0272-0.0051 ( 4152 PWs) bands (ev): -70.8700 -70.8700 -42.8789 -42.8789 -41.9199 -41.9199 -41.7243 -41.7243 -12.5351 -12.5351 -11.1397 -11.1397 -3.3788 -3.3788 -1.9561 -1.9561 -1.8810 -1.8810 0.0633 0.0633 0.5111 0.5111 0.6416 0.6416 1.2127 1.2127 1.2635 1.2635 1.6493 1.6493 3.9446 3.9446 4.0244 4.0244 k = 0.0545 0.0326-0.0062 ( 4155 PWs) bands (ev): -70.8700 -70.8700 -42.8791 -42.8791 -41.9202 -41.9202 -41.7243 -41.7243 -12.5241 -12.5241 -11.1352 -11.1352 -3.3671 -3.3671 -1.9526 -1.9526 -1.9085 -1.9085 0.0875 0.0875 0.4698 0.4698 0.5867 0.5867 1.2049 1.2049 1.2787 1.2787 1.6788 1.6788 3.9033 3.9033 4.0135 4.0135 k = 0.0636 0.0380-0.0072 ( 4150 PWs) bands (ev): -70.8700 -70.8700 -42.8793 -42.8793 -41.9204 -41.9204 -41.7243 -41.7243 -12.5112 -12.5112 -11.1299 -11.1299 -3.3534 -3.3534 -1.9500 -1.9500 -1.9381 -1.9381 0.1142 0.1142 0.4259 0.4259 0.5224 0.5224 1.1861 1.1861 1.3089 1.3089 1.7068 1.7068 3.8565 3.8565 4.0015 4.0015 k = 0.0727 0.0435-0.0082 ( 4146 PWs) bands (ev): -70.8699 -70.8699 -42.8795 -42.8795 -41.9207 -41.9207 -41.7243 -41.7243 -12.4964 -12.4964 -11.1237 -11.1237 -3.3377 -3.3377 -1.9758 -1.9758 -1.9420 -1.9420 0.1424 0.1424 0.3801 0.3801 0.4499 0.4499 1.1672 1.1672 1.3422 1.3422 1.7331 1.7331 3.8053 3.8053 3.9882 3.9882 k = 0.0818 0.0489-0.0092 ( 4146 PWs) bands (ev): -70.8699 -70.8699 -42.8797 -42.8797 -41.9211 -41.9211 -41.7243 -41.7243 -12.4796 -12.4796 -11.1168 -11.1168 -3.3199 -3.3199 -2.0129 -2.0129 -1.9368 -1.9368 0.1703 0.1703 0.3327 0.3327 0.3719 0.3719 1.1498 1.1498 1.3760 1.3760 1.7577 1.7577 3.7507 3.7507 3.9739 3.9739 k = 0.0909 0.0544-0.0103 ( 4141 PWs) bands (ev): -70.8698 -70.8698 -42.8800 -42.8800 -41.9215 -41.9215 -41.7243 -41.7243 -12.4610 -12.4610 -11.1092 -11.1092 -3.3002 -3.3002 -2.0527 -2.0527 -1.9308 -1.9308 0.1899 0.1899 0.2796 0.2796 0.3008 0.3008 1.1341 1.1341 1.4093 1.4093 1.7805 1.7805 3.6937 3.6937 3.9589 3.9589 k = 0.1000 0.0598-0.0113 ( 4140 PWs) bands (ev): -70.8698 -70.8698 -42.8803 -42.8803 -41.9220 -41.9220 -41.7243 -41.7243 -12.4404 -12.4404 -11.1009 -11.1009 -3.2786 -3.2786 -2.0945 -2.0945 -1.9242 -1.9242 0.1564 0.1564 0.2310 0.2310 0.2724 0.2724 1.1198 1.1198 1.4414 1.4414 1.8017 1.8017 3.6351 3.6351 3.9434 3.9434 k = 0.1091 0.0652-0.0123 ( 4144 PWs) bands (ev): -70.8697 -70.8697 -42.8806 -42.8806 -41.9224 -41.9224 -41.7243 -41.7243 -12.4181 -12.4181 -11.0918 -11.0918 -3.2550 -3.2550 -2.1379 -2.1379 -1.9172 -1.9172 0.0672 0.0672 0.1866 0.1866 0.2898 0.2898 1.1065 1.1065 1.4721 1.4721 1.8213 1.8213 3.5761 3.5761 3.9275 3.9275 k = 0.1182 0.0707-0.0134 ( 4144 PWs) bands (ev): -70.8697 -70.8697 -42.8809 -42.8809 -41.9230 -41.9230 -41.7244 -41.7244 -12.3939 -12.3939 -11.0821 -11.0821 -3.2297 -3.2297 -2.1825 -2.1825 -1.9097 -1.9097 -0.0349 -0.0349 0.1396 0.1396 0.3174 0.3174 1.0940 1.0940 1.5009 1.5009 1.8393 1.8393 3.5174 3.5174 3.9116 3.9116 k = 0.1273 0.0761-0.0144 ( 4166 PWs) bands (ev): -70.8696 -70.8696 -42.8813 -42.8813 -41.9235 -41.9235 -41.7244 -41.7244 -12.3680 -12.3680 -11.0717 -11.0717 -3.2026 -3.2026 -2.2280 -2.2280 -1.9019 -1.9019 -0.1426 -0.1426 0.0923 0.0923 0.3458 0.3458 1.0820 1.0820 1.5277 1.5277 1.8557 1.8557 3.4600 3.4600 3.8958 3.8958 k = 0.1364 0.0815-0.0154 ( 4161 PWs) bands (ev): -70.8695 -70.8695 -42.8817 -42.8817 -41.9241 -41.9241 -41.7244 -41.7244 -12.3403 -12.3403 -11.0607 -11.0607 -3.1739 -3.1739 -2.2741 -2.2741 -1.8938 -1.8938 -0.2541 -0.2541 0.0455 0.0455 0.3728 0.3728 1.0703 1.0703 1.5522 1.5522 1.8708 1.8708 3.4048 3.4048 3.8805 3.8805 k = 0.1455 0.0870-0.0164 ( 4160 PWs) bands (ev): -70.8695 -70.8695 -42.8821 -42.8821 -41.9247 -41.9247 -41.7244 -41.7244 -12.3110 -12.3110 -11.0492 -11.0492 -3.1436 -3.1436 -2.3205 -2.3205 -1.8854 -1.8854 -0.3685 -0.3685 -0.0006 -0.0006 0.3975 0.3975 1.0587 1.0587 1.5743 1.5743 1.8843 1.8843 3.3527 3.3527 3.8657 3.8657 k = 0.1545 0.0924-0.0175 ( 4163 PWs) bands (ev): -70.8694 -70.8694 -42.8825 -42.8825 -41.9254 -41.9254 -41.7244 -41.7244 -12.2800 -12.2800 -11.0371 -11.0371 -3.1119 -3.1119 -2.3671 -2.3671 -1.8768 -1.8768 -0.4851 -0.4851 -0.0458 -0.0458 0.4190 0.4190 1.0471 1.0471 1.5938 1.5938 1.8964 1.8964 3.3045 3.3045 3.8518 3.8518 k = 0.1636 0.0978-0.0185 ( 4161 PWs) bands (ev): -70.8693 -70.8693 -42.8829 -42.8829 -41.9260 -41.9260 -41.7245 -41.7245 -12.2474 -12.2474 -11.0245 -11.0245 -3.0789 -3.0789 -2.4135 -2.4135 -1.8681 -1.8681 -0.6033 -0.6033 -0.0900 -0.0900 0.4367 0.4367 1.0354 1.0354 1.6106 1.6106 1.9071 1.9071 3.2610 3.2610 3.8388 3.8388 k = 0.1727 0.1033-0.0195 ( 4164 PWs) bands (ev): -70.8692 -70.8692 -42.8833 -42.8833 -41.9267 -41.9267 -41.7245 -41.7245 -12.2133 -12.2133 -11.0114 -11.0114 -3.0448 -3.0448 -2.4595 -2.4595 -1.8594 -1.8594 -0.7225 -0.7225 -0.1330 -0.1330 0.4501 0.4501 1.0235 1.0235 1.6247 1.6247 1.9164 1.9164 3.2230 3.2230 3.8270 3.8270 k = 0.1818 0.1087-0.0205 ( 4163 PWs) bands (ev): -70.8692 -70.8692 -42.8838 -42.8838 -41.9274 -41.9274 -41.7245 -41.7245 -12.1777 -12.1777 -10.9979 -10.9979 -3.0100 -3.0100 -2.5049 -2.5049 -1.8507 -1.8507 -0.8422 -0.8422 -0.1747 -0.1747 0.4586 0.4586 1.0113 1.0113 1.6360 1.6360 1.9243 1.9243 3.1911 3.1911 3.8164 3.8164 k = 0.1909 0.1141-0.0216 ( 4170 PWs) bands (ev): -70.8691 -70.8691 -42.8843 -42.8843 -41.9281 -41.9281 -41.7245 -41.7245 -12.1407 -12.1407 -10.9841 -10.9841 -2.9747 -2.9747 -2.5493 -2.5493 -1.8422 -1.8422 -0.9618 -0.9618 -0.2149 -0.2149 0.4618 0.4618 0.9988 0.9988 1.6445 1.6445 1.9307 1.9307 3.1658 3.1658 3.8072 3.8072 k = 0.2000 0.1196-0.0226 ( 4170 PWs) bands (ev): -70.8690 -70.8690 -42.8848 -42.8848 -41.9289 -41.9289 -41.7245 -41.7245 -12.1023 -12.1023 -10.9699 -10.9699 -2.9397 -2.9397 -2.5923 -2.5923 -1.8338 -1.8338 -1.0807 -1.0807 -0.2536 -0.2536 0.4593 0.4593 0.9861 0.9861 1.6504 1.6504 1.9359 1.9359 3.1474 3.1474 3.7994 3.7994 k = 0.2091 0.1250-0.0236 ( 4177 PWs) bands (ev): -70.8689 -70.8689 -42.8853 -42.8853 -41.9296 -41.9296 -41.7245 -41.7245 -12.0627 -12.0627 -10.9554 -10.9554 -2.9061 -2.9061 -2.6330 -2.6330 -1.8257 -1.8257 -1.1985 -1.1985 -0.2906 -0.2906 0.4509 0.4509 0.9734 0.9734 1.6534 1.6534 1.9397 1.9397 3.1360 3.1360 3.7930 3.7930 k = 0.2182 0.1304-0.0247 ( 4171 PWs) bands (ev): -70.8688 -70.8688 -42.8857 -42.8857 -41.9304 -41.9304 -41.7245 -41.7245 -12.0218 -12.0218 -10.9407 -10.9407 -2.8763 -2.8763 -2.6693 -2.6693 -1.8181 -1.8181 -1.3142 -1.3142 -0.3259 -0.3259 0.4363 0.4363 0.9607 0.9607 1.6540 1.6540 1.9424 1.9424 3.1319 3.1319 3.7880 3.7880 k = 0.2273 0.1359-0.0257 ( 4170 PWs) bands (ev): -70.8687 -70.8687 -42.8862 -42.8862 -41.9311 -41.9311 -41.7246 -41.7246 -11.9798 -11.9798 -10.9259 -10.9259 -2.8556 -2.8556 -2.6965 -2.6965 -1.8108 -1.8108 -1.4271 -1.4271 -0.3593 -0.3593 0.4157 0.4157 0.9483 0.9483 1.6520 1.6520 1.9440 1.9440 3.1346 3.1346 3.7845 3.7845 k = 0.2364 0.1413-0.0267 ( 4166 PWs) bands (ev): -70.8686 -70.8686 -42.8867 -42.8867 -41.9319 -41.9319 -41.7246 -41.7246 -11.9368 -11.9368 -10.9110 -10.9110 -2.8532 -2.8532 -2.7060 -2.7060 -1.8042 -1.8042 -1.5363 -1.5363 -0.3907 -0.3907 0.3891 0.3891 0.9362 0.9362 1.6477 1.6477 1.9447 1.9447 3.1439 3.1439 3.7823 3.7823 k = 0.2455 0.1468-0.0277 ( 4179 PWs) bands (ev): -70.8685 -70.8685 -42.8873 -42.8873 -41.9327 -41.9327 -41.7246 -41.7246 -11.8929 -11.8929 -10.8960 -10.8960 -2.8721 -2.8721 -2.6958 -2.6958 -1.7982 -1.7982 -1.6405 -1.6405 -0.4202 -0.4202 0.3568 0.3568 0.9246 0.9246 1.6411 1.6411 1.9444 1.9444 3.1594 3.1594 3.7814 3.7814 k = 0.2545 0.1522-0.0288 ( 4178 PWs) bands (ev): -70.8684 -70.8684 -42.8878 -42.8878 -41.9335 -41.9335 -41.7246 -41.7246 -11.8481 -11.8481 -10.8810 -10.8810 -2.9042 -2.9042 -2.6756 -2.6756 -1.7932 -1.7932 -1.7377 -1.7377 -0.4475 -0.4475 0.3193 0.3193 0.9136 0.9136 1.6326 1.6326 1.9433 1.9433 3.1805 3.1805 3.7817 3.7817 k = 0.2636 0.1576-0.0298 ( 4179 PWs) bands (ev): -70.8683 -70.8683 -42.8883 -42.8883 -41.9342 -41.9342 -41.7246 -41.7246 -11.8025 -11.8025 -10.8661 -10.8661 -2.9425 -2.9425 -2.6542 -2.6542 -1.8278 -1.8278 -1.7874 -1.7874 -0.4727 -0.4727 0.2773 0.2773 0.9031 0.9031 1.6223 1.6223 1.9415 1.9415 3.2065 3.2065 3.7831 3.7831 k = 0.2727 0.1631-0.0308 ( 4180 PWs) bands (ev): -70.8682 -70.8682 -42.8888 -42.8888 -41.9350 -41.9350 -41.7246 -41.7246 -11.7563 -11.7563 -10.8514 -10.8514 -2.9842 -2.9842 -2.6371 -2.6371 -1.9046 -1.9046 -1.7841 -1.7841 -0.4957 -0.4957 0.2312 0.2312 0.8931 0.8931 1.6103 1.6103 1.9389 1.9389 3.2370 3.2370 3.7855 3.7855 k = 0.2818 0.1685-0.0318 ( 4183 PWs) bands (ev): -70.8682 -70.8682 -42.8893 -42.8893 -41.9358 -41.9358 -41.7246 -41.7246 -11.7096 -11.7096 -10.8369 -10.8369 -3.0284 -3.0284 -2.6282 -2.6282 -1.9671 -1.9671 -1.7812 -1.7812 -0.5166 -0.5166 0.1820 0.1820 0.8837 0.8837 1.5968 1.5968 1.9356 1.9356 3.2712 3.2712 3.7888 3.7888 k = 0.2909 0.1739-0.0329 ( 4187 PWs) bands (ev): -70.8681 -70.8681 -42.8898 -42.8898 -41.9366 -41.9366 -41.7247 -41.7247 -11.6625 -11.6625 -10.8227 -10.8227 -3.0751 -3.0751 -2.6305 -2.6305 -2.0119 -2.0119 -1.7791 -1.7791 -0.5353 -0.5353 0.1302 0.1302 0.8747 0.8747 1.5822 1.5822 1.9315 1.9315 3.3085 3.3085 3.7928 3.7928 k = 0.3000 0.1794-0.0339 ( 4184 PWs) bands (ev): -70.8680 -70.8680 -42.8903 -42.8903 -41.9373 -41.9373 -41.7247 -41.7247 -11.6151 -11.6151 -10.8089 -10.8089 -3.1246 -3.1246 -2.6452 -2.6452 -2.0375 -2.0375 -1.7779 -1.7779 -0.5518 -0.5518 0.0767 0.0767 0.8662 0.8662 1.5665 1.5665 1.9266 1.9266 3.3484 3.3484 3.7975 3.7975 k = 0.3091 0.1848-0.0349 ( 4183 PWs) bands (ev): -70.8679 -70.8679 -42.8908 -42.8908 -41.9380 -41.9380 -41.7247 -41.7247 -11.5675 -11.5675 -10.7955 -10.7955 -3.1771 -3.1771 -2.6709 -2.6709 -2.0451 -2.0451 -1.7776 -1.7776 -0.5663 -0.5663 0.0222 0.0222 0.8580 0.8580 1.5500 1.5500 1.9210 1.9210 3.3902 3.3902 3.8027 3.8027 k = 0.3182 0.1902-0.0360 ( 4188 PWs) bands (ev): -70.8678 -70.8678 -42.8913 -42.8913 -41.9387 -41.9387 -41.7247 -41.7247 -11.5200 -11.5200 -10.7826 -10.7826 -3.2328 -3.2328 -2.7038 -2.7038 -2.0380 -2.0380 -1.7781 -1.7781 -0.5787 -0.5787 -0.0327 -0.0327 0.8500 0.8500 1.5328 1.5328 1.9146 1.9146 3.4333 3.4333 3.8084 3.8084 k = 0.3273 0.1957-0.0370 ( 4185 PWs) bands (ev): -70.8677 -70.8677 -42.8917 -42.8917 -41.9394 -41.9394 -41.7247 -41.7247 -11.4725 -11.4725 -10.7704 -10.7704 -3.2917 -3.2917 -2.7401 -2.7401 -2.0204 -2.0204 -1.7793 -1.7793 -0.5893 -0.5893 -0.0872 -0.0872 0.8424 0.8424 1.5151 1.5151 1.9074 1.9074 3.4775 3.4775 3.8143 3.8143 k = 0.3364 0.2011-0.0380 ( 4191 PWs) bands (ev): -70.8676 -70.8676 -42.8922 -42.8922 -41.9401 -41.9401 -41.7247 -41.7247 -11.4254 -11.4254 -10.7588 -10.7588 -3.3536 -3.3536 -2.7764 -2.7764 -1.9959 -1.9959 -1.7813 -1.7813 -0.5980 -0.5980 -0.1407 -0.1407 0.8349 0.8349 1.4972 1.4972 1.8994 1.8994 3.5220 3.5220 3.8204 3.8204 k = 0.3455 0.2065-0.0390 ( 4191 PWs) bands (ev): -70.8676 -70.8676 -42.8926 -42.8926 -41.9408 -41.9408 -41.7247 -41.7247 -11.3786 -11.3786 -10.7481 -10.7481 -3.4178 -3.4178 -2.8107 -2.8107 -1.9672 -1.9672 -1.7839 -1.7839 -0.6051 -0.6051 -0.1926 -0.1926 0.8276 0.8276 1.4792 1.4792 1.8906 1.8906 3.5664 3.5664 3.8267 3.8267 k = 0.3545 0.2120-0.0401 ( 4191 PWs) bands (ev): -70.8675 -70.8675 -42.8930 -42.8930 -41.9414 -41.9414 -41.7247 -41.7247 -11.3325 -11.3325 -10.7381 -10.7381 -3.4835 -3.4835 -2.8419 -2.8419 -1.9364 -1.9364 -1.7871 -1.7871 -0.6106 -0.6106 -0.2423 -0.2423 0.8206 0.8206 1.4613 1.4613 1.8811 1.8811 3.6104 3.6104 3.8329 3.8329 k = 0.3636 0.2174-0.0411 ( 4194 PWs) bands (ev): -70.8674 -70.8674 -42.8934 -42.8934 -41.9420 -41.9420 -41.7247 -41.7247 -11.2871 -11.2871 -10.7292 -10.7292 -3.5499 -3.5499 -2.8696 -2.8696 -1.9051 -1.9051 -1.7906 -1.7906 -0.6148 -0.6148 -0.2892 -0.2892 0.8136 0.8136 1.4436 1.4436 1.8709 1.8709 3.6535 3.6535 3.8392 3.8392 k = 0.3727 0.2229-0.0421 ( 4192 PWs) bands (ev): -70.8673 -70.8673 -42.8938 -42.8938 -41.9426 -41.9426 -41.7247 -41.7247 -11.2426 -11.2426 -10.7213 -10.7213 -3.6158 -3.6158 -2.8938 -2.8938 -1.8745 -1.8745 -1.7944 -1.7944 -0.6179 -0.6179 -0.3328 -0.3328 0.8068 0.8068 1.4263 1.4263 1.8602 1.8602 3.6953 3.6953 3.8453 3.8453 k = 0.3818 0.2283-0.0431 ( 4194 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9431 -41.9431 -41.7248 -41.7248 -11.1991 -11.1991 -10.7145 -10.7145 -3.6806 -3.6806 -2.9147 -2.9147 -1.8457 -1.8457 -1.7980 -1.7980 -0.6199 -0.6199 -0.3727 -0.3727 0.8002 0.8002 1.4095 1.4095 1.8490 1.8490 3.7356 3.7356 3.8512 3.8512 k = 0.3909 0.2337-0.0442 ( 4192 PWs) bands (ev): -70.8672 -70.8672 -42.8945 -42.8945 -41.9436 -41.9436 -41.7248 -41.7248 -11.1569 -11.1569 -10.7089 -10.7089 -3.7434 -3.7434 -2.9324 -2.9324 -1.8211 -1.8211 -1.7995 -1.7995 -0.6212 -0.6212 -0.4085 -0.4085 0.7937 0.7937 1.3934 1.3934 1.8375 1.8375 3.7740 3.7740 3.8569 3.8569 k = 0.4000 0.2392-0.0452 ( 4192 PWs) bands (ev): -70.8672 -70.8672 -42.8948 -42.8948 -41.9441 -41.9441 -41.7248 -41.7248 -11.1160 -11.1160 -10.7047 -10.7047 -3.8033 -3.8033 -2.9475 -2.9475 -1.8125 -1.8125 -1.7878 -1.7878 -0.6220 -0.6220 -0.4398 -0.4398 0.7874 0.7874 1.3781 1.3781 1.8258 1.8258 3.8101 3.8101 3.8623 3.8623 k = 0.4091 0.2446-0.0462 ( 4192 PWs) bands (ev): -70.8671 -70.8671 -42.8951 -42.8951 -41.9445 -41.9445 -41.7248 -41.7248 -11.0767 -11.0767 -10.7018 -10.7018 -3.8600 -3.8600 -2.9600 -2.9600 -1.8150 -1.8150 -1.7678 -1.7678 -0.6223 -0.6223 -0.4666 -0.4666 0.7813 0.7813 1.3637 1.3637 1.8142 1.8142 3.8438 3.8438 3.8674 3.8674 k = 0.4182 0.2500-0.0473 ( 4194 PWs) bands (ev): -70.8671 -70.8671 -42.8954 -42.8954 -41.9449 -41.9449 -41.7248 -41.7248 -11.0391 -11.0391 -10.7004 -10.7004 -3.9127 -3.9127 -2.9704 -2.9704 -1.8188 -1.8188 -1.7494 -1.7494 -0.6225 -0.6225 -0.4887 -0.4887 0.7754 0.7754 1.3503 1.3503 1.8027 1.8027 3.8708 3.8708 3.8762 3.8762 k = 0.4273 0.2555-0.0483 ( 4191 PWs) bands (ev): -70.8670 -70.8670 -42.8956 -42.8956 -41.9453 -41.9453 -41.7248 -41.7248 -11.0034 -11.0034 -10.7006 -10.7006 -3.9611 -3.9611 -2.9790 -2.9790 -1.8227 -1.8227 -1.7339 -1.7339 -0.6226 -0.6226 -0.5064 -0.5064 0.7698 0.7698 1.3381 1.3381 1.7917 1.7917 3.8760 3.8760 3.9036 3.9036 k = 0.4364 0.2609-0.0493 ( 4187 PWs) bands (ev): -70.8670 -70.8670 -42.8958 -42.8958 -41.9456 -41.9456 -41.7248 -41.7248 -10.9697 -10.9697 -10.7024 -10.7024 -4.0046 -4.0046 -2.9859 -2.9859 -1.8265 -1.8265 -1.7213 -1.7213 -0.6228 -0.6228 -0.5198 -0.5198 0.7647 0.7647 1.3270 1.3270 1.7814 1.7814 3.8799 3.8799 3.9289 3.9289 k = 0.4455 0.2663-0.0503 ( 4180 PWs) bands (ev): -70.8669 -70.8669 -42.8960 -42.8960 -41.9458 -41.9458 -41.7248 -41.7248 -10.9382 -10.9382 -10.7057 -10.7057 -4.0430 -4.0430 -2.9913 -2.9913 -1.8299 -1.8299 -1.7114 -1.7114 -0.6229 -0.6229 -0.5297 -0.5297 0.7600 0.7600 1.3172 1.3172 1.7719 1.7719 3.8832 3.8832 3.9510 3.9510 k = 0.4545 0.2718-0.0514 ( 4174 PWs) bands (ev): -70.8669 -70.8669 -42.8961 -42.8961 -41.9460 -41.9460 -41.7247 -41.7247 -10.9091 -10.9091 -10.7107 -10.7107 -4.0761 -4.0761 -2.9956 -2.9956 -1.8329 -1.8329 -1.7039 -1.7039 -0.6231 -0.6231 -0.5365 -0.5365 0.7557 0.7557 1.3089 1.3089 1.7635 1.7635 3.8861 3.8861 3.9699 3.9699 k = 0.4636 0.2772-0.0524 ( 4181 PWs) bands (ev): -70.8669 -70.8669 -42.8963 -42.8963 -41.9462 -41.9462 -41.7248 -41.7248 -10.8827 -10.8827 -10.7171 -10.7171 -4.1034 -4.1034 -2.9988 -2.9988 -1.8354 -1.8354 -1.6986 -1.6986 -0.6233 -0.6233 -0.5411 -0.5411 0.7521 0.7521 1.3019 1.3019 1.7562 1.7562 3.8885 3.8885 3.9855 3.9855 k = 0.4727 0.2826-0.0534 ( 4184 PWs) bands (ev): -70.8669 -70.8669 -42.8964 -42.8964 -41.9464 -41.9464 -41.7248 -41.7248 -10.8595 -10.8595 -10.7246 -10.7246 -4.1249 -4.1249 -3.0012 -3.0012 -1.8374 -1.8374 -1.6949 -1.6949 -0.6233 -0.6233 -0.5439 -0.5439 0.7492 0.7492 1.2965 1.2965 1.7504 1.7504 3.8904 3.8904 3.9977 3.9977 k = 0.4818 0.2881-0.0544 ( 4188 PWs) bands (ev): -70.8669 -70.8669 -42.8965 -42.8965 -41.9465 -41.9465 -41.7248 -41.7248 -10.8403 -10.8403 -10.7326 -10.7326 -4.1404 -4.1404 -3.0028 -3.0028 -1.8389 -1.8389 -1.6925 -1.6925 -0.6234 -0.6234 -0.5455 -0.5455 0.7471 0.7471 1.2925 1.2925 1.7462 1.7462 3.8917 3.8917 4.0064 4.0064 k = 0.4909 0.2935-0.0555 ( 4192 PWs) bands (ev): -70.8669 -70.8669 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8268 -10.8268 -10.7393 -10.7393 -4.1497 -4.1497 -3.0037 -3.0037 -1.8398 -1.8398 -1.6912 -1.6912 -0.6233 -0.6233 -0.5464 -0.5464 0.7458 0.7458 1.2901 1.2901 1.7436 1.7436 3.8925 3.8925 4.0117 4.0117 k = 0.5000 0.2989-0.0565 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7453 0.7453 1.2893 1.2893 1.7427 1.7427 3.8928 3.8928 4.0134 4.0134 k = 0.5000 0.2989-0.0565 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7453 0.7453 1.2893 1.2893 1.7427 1.7427 3.8928 3.8928 4.0134 4.0134 k = 0.5008 0.2995-0.0463 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9466 -41.9466 -41.7248 -41.7248 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7453 0.7453 1.2893 1.2893 1.7427 1.7427 3.8928 3.8928 4.0134 4.0134 k = 0.5017 0.3000-0.0361 ( 4188 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8220 -10.8220 -10.7419 -10.7419 -4.1527 -4.1527 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7454 0.7454 1.2894 1.2894 1.7427 1.7427 3.8928 3.8928 4.0133 4.0133 k = 0.5025 0.3005-0.0260 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8222 -10.8222 -10.7418 -10.7418 -4.1525 -4.1525 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7454 0.7454 1.2894 1.2894 1.7427 1.7427 3.8927 3.8927 4.0132 4.0132 k = 0.5034 0.3010-0.0158 ( 4187 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8225 -10.8225 -10.7416 -10.7416 -4.1523 -4.1523 -3.0040 -3.0040 -1.8400 -1.8400 -1.6909 -1.6909 -0.6233 -0.6233 -0.5466 -0.5466 0.7454 0.7454 1.2895 1.2895 1.7428 1.7428 3.8927 3.8927 4.0131 4.0131 k = 0.5042 0.3015-0.0056 ( 4191 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8229 -10.8229 -10.7414 -10.7414 -4.1521 -4.1521 -3.0040 -3.0040 -1.8400 -1.8400 -1.6909 -1.6909 -0.6233 -0.6233 -0.5465 -0.5465 0.7454 0.7454 1.2895 1.2895 1.7429 1.7429 3.8927 3.8927 4.0128 4.0128 k = 0.5051 0.3020 0.0046 ( 4190 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8234 -10.8234 -10.7411 -10.7411 -4.1518 -4.1518 -3.0039 -3.0039 -1.8400 -1.8400 -1.6910 -1.6910 -0.6233 -0.6233 -0.5465 -0.5465 0.7455 0.7455 1.2896 1.2896 1.7429 1.7429 3.8927 3.8927 4.0126 4.0126 k = 0.5059 0.3025 0.0147 ( 4179 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7247 -41.7247 -10.8240 -10.8240 -10.7408 -10.7408 -4.1514 -4.1514 -3.0039 -3.0039 -1.8400 -1.8400 -1.6910 -1.6910 -0.6233 -0.6233 -0.5464 -0.5464 0.7456 0.7456 1.2897 1.2897 1.7430 1.7430 3.8926 3.8926 4.0123 4.0123 k = 0.5068 0.3030 0.0249 ( 4170 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7247 -41.7247 -10.8246 -10.8246 -10.7404 -10.7404 -4.1510 -4.1510 -3.0039 -3.0039 -1.8399 -1.8399 -1.6911 -1.6911 -0.6233 -0.6233 -0.5463 -0.5463 0.7456 0.7456 1.2898 1.2898 1.7432 1.7432 3.8926 3.8926 4.0120 4.0120 k = 0.5076 0.3035 0.0351 ( 4175 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7247 -41.7247 -10.8254 -10.8254 -10.7400 -10.7400 -4.1506 -4.1506 -3.0038 -3.0038 -1.8399 -1.8399 -1.6912 -1.6912 -0.6233 -0.6233 -0.5463 -0.5463 0.7457 0.7457 1.2899 1.2899 1.7433 1.7433 3.8926 3.8926 4.0116 4.0116 k = 0.5085 0.3040 0.0453 ( 4167 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8262 -10.8262 -10.7396 -10.7396 -4.1501 -4.1501 -3.0038 -3.0038 -1.8398 -1.8398 -1.6912 -1.6912 -0.6233 -0.6233 -0.5462 -0.5462 0.7457 0.7457 1.2900 1.2900 1.7435 1.7435 3.8925 3.8925 4.0113 4.0113 k = 0.5085 0.3040 0.0453 ( 4167 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8262 -10.8262 -10.7396 -10.7396 -4.1501 -4.1501 -3.0038 -3.0038 -1.8398 -1.8398 -1.6912 -1.6912 -0.6233 -0.6233 -0.5462 -0.5462 0.7457 0.7457 1.2900 1.2900 1.7435 1.7435 3.8925 3.8925 4.0113 4.0113 k = 0.5071 0.3032 0.0547 ( 4169 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7247 -41.7247 -10.8249 -10.8249 -10.7403 -10.7403 -4.1509 -4.1509 -3.0039 -3.0039 -1.8399 -1.8399 -1.6911 -1.6911 -0.6233 -0.6233 -0.5462 -0.5462 0.7456 0.7456 1.2898 1.2898 1.7432 1.7432 3.8926 3.8926 4.0116 4.0116 k = 0.5056 0.3023 0.0641 ( 4162 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8238 -10.8238 -10.7409 -10.7409 -4.1516 -4.1516 -3.0039 -3.0039 -1.8399 -1.8399 -1.6911 -1.6911 -0.6233 -0.6233 -0.5463 -0.5463 0.7455 0.7455 1.2897 1.2897 1.7431 1.7431 3.8926 3.8926 4.0119 4.0119 k = 0.5042 0.3015 0.0735 ( 4161 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8229 -10.8229 -10.7414 -10.7414 -4.1521 -4.1521 -3.0040 -3.0040 -1.8400 -1.8400 -1.6910 -1.6910 -0.6232 -0.6232 -0.5463 -0.5463 0.7454 0.7454 1.2896 1.2896 1.7429 1.7429 3.8927 3.8927 4.0122 4.0122 k = 0.5028 0.3006 0.0829 ( 4155 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8223 -10.8223 -10.7417 -10.7417 -4.1525 -4.1525 -3.0040 -3.0040 -1.8400 -1.8400 -1.6910 -1.6910 -0.6232 -0.6232 -0.5463 -0.5463 0.7454 0.7454 1.2895 1.2895 1.7428 1.7428 3.8927 3.8927 4.0123 4.0123 k = 0.5014 0.2998 0.0924 ( 4156 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8219 -10.8219 -10.7420 -10.7420 -4.1527 -4.1527 -3.0040 -3.0040 -1.8400 -1.8400 -1.6909 -1.6909 -0.6232 -0.6232 -0.5463 -0.5463 0.7453 0.7453 1.2894 1.2894 1.7428 1.7428 3.8928 3.8928 4.0124 4.0124 k = 0.5000 0.2989 0.1018 ( 4158 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8400 -1.8400 -1.6909 -1.6909 -0.6232 -0.6232 -0.5463 -0.5463 0.7453 0.7453 1.2894 1.2894 1.7428 1.7428 3.8928 3.8928 4.0125 4.0125 k = 0.5000 0.2989 0.1018 ( 4158 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8400 -1.8400 -1.6909 -1.6909 -0.6232 -0.6232 -0.5463 -0.5463 0.7453 0.7453 1.2894 1.2894 1.7428 1.7428 3.8928 3.8928 4.0125 4.0125 k = 0.5055 0.2898 0.1018 ( 4158 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8214 -10.8214 -10.7419 -10.7419 -4.1515 -4.1515 -3.0041 -3.0041 -1.8399 -1.8399 -1.6910 -1.6910 -0.6287 -0.6287 -0.5485 -0.5485 0.7496 0.7496 1.2901 1.2901 1.7426 1.7426 3.8889 3.8889 4.0117 4.0117 k = 0.5110 0.2806 0.1018 ( 4162 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8204 -10.8204 -10.7413 -10.7413 -4.1478 -4.1478 -3.0044 -3.0044 -1.8397 -1.8397 -1.6911 -1.6911 -0.6460 -0.6460 -0.5540 -0.5540 0.7621 0.7621 1.2923 1.2923 1.7420 1.7420 3.8772 3.8772 4.0094 4.0094 k = 0.5165 0.2714 0.1018 ( 4168 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7247 -41.7247 -10.8187 -10.8187 -10.7405 -10.7405 -4.1417 -4.1417 -3.0049 -3.0049 -1.8394 -1.8394 -1.6914 -1.6914 -0.6757 -0.6757 -0.5608 -0.5608 0.7819 0.7819 1.2959 1.2959 1.7410 1.7410 3.8583 3.8583 4.0056 4.0056 k = 0.5219 0.2623 0.1018 ( 4174 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9467 -41.9467 -41.7247 -41.7247 -10.8164 -10.8164 -10.7393 -10.7393 -4.1331 -4.1331 -3.0056 -3.0056 -1.8388 -1.8388 -1.6921 -1.6921 -0.7174 -0.7174 -0.5680 -0.5680 0.8077 0.8077 1.3010 1.3010 1.7396 1.7396 3.8328 3.8328 4.0003 4.0003 k = 0.5274 0.2531 0.1018 ( 4178 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9467 -41.9467 -41.7247 -41.7247 -10.8135 -10.8135 -10.7378 -10.7378 -4.1220 -4.1220 -3.0065 -3.0065 -1.8379 -1.8379 -1.6935 -1.6935 -0.7692 -0.7692 -0.5758 -0.5758 0.8380 0.8380 1.3075 1.3075 1.7379 1.7379 3.8014 3.8014 3.9934 3.9934 k = 0.5329 0.2439 0.1018 ( 4174 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9467 -41.9467 -41.7247 -41.7247 -10.8099 -10.8099 -10.7360 -10.7360 -4.1086 -4.1086 -3.0077 -3.0077 -1.8366 -1.8366 -1.6958 -1.6958 -0.8287 -0.8287 -0.5843 -0.5843 0.8712 0.8712 1.3155 1.3155 1.7360 1.7360 3.7653 3.7653 3.9850 3.9850 k = 0.5384 0.2347 0.1018 ( 4180 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9468 -41.9468 -41.7247 -41.7247 -10.8058 -10.8058 -10.7339 -10.7339 -4.0927 -4.0927 -3.0091 -3.0091 -1.8348 -1.8348 -1.6999 -1.6999 -0.8936 -0.8936 -0.5941 -0.5941 0.9062 0.9062 1.3248 1.3248 1.7337 1.7337 3.7253 3.7253 3.9749 3.9749 k = 0.5439 0.2256 0.1018 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9469 -41.9469 -41.7247 -41.7247 -10.8012 -10.8012 -10.7315 -10.7315 -4.0744 -4.0744 -3.0107 -3.0107 -1.8325 -1.8325 -1.7063 -1.7063 -0.9616 -0.9616 -0.6052 -0.6052 0.9418 0.9418 1.3355 1.3355 1.7312 1.7312 3.6826 3.6826 3.9632 3.9632 k = 0.5494 0.2164 0.1018 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9469 -41.9469 -41.7248 -41.7248 -10.7961 -10.7961 -10.7288 -10.7288 -4.0538 -4.0538 -3.0126 -3.0126 -1.8294 -1.8294 -1.7163 -1.7163 -1.0303 -1.0303 -0.6180 -0.6180 0.9770 0.9770 1.3476 1.3476 1.7286 1.7286 3.6381 3.6381 3.9499 3.9499 k = 0.5548 0.2072 0.1018 ( 4186 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9470 -41.9470 -41.7248 -41.7248 -10.7906 -10.7906 -10.7259 -10.7259 -4.0307 -4.0307 -3.0147 -3.0147 -1.8257 -1.8257 -1.7312 -1.7312 -1.0972 -1.0972 -0.6326 -0.6326 1.0113 1.0113 1.3610 1.3610 1.7260 1.7260 3.5928 3.5928 3.9349 3.9349 k = 0.5603 0.1981 0.1018 ( 4188 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9471 -41.9471 -41.7248 -41.7248 -10.7847 -10.7847 -10.7227 -10.7227 -4.0054 -4.0054 -3.0172 -3.0172 -1.8212 -1.8212 -1.7529 -1.7529 -1.1594 -1.1594 -0.6491 -0.6491 1.0439 1.0439 1.3755 1.3755 1.7232 1.7232 3.5477 3.5477 3.9182 3.9182 k = 0.5658 0.1889 0.1018 ( 4188 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9471 -41.9471 -41.7248 -41.7248 -10.7786 -10.7786 -10.7193 -10.7193 -3.9778 -3.9778 -3.0199 -3.0199 -1.8170 -1.8170 -1.7821 -1.7821 -1.2144 -1.2144 -0.6675 -0.6675 1.0745 1.0745 1.3911 1.3911 1.7206 1.7206 3.5036 3.5036 3.8999 3.8999 k = 0.5713 0.1797 0.1018 ( 4190 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9472 -41.9472 -41.7248 -41.7248 -10.7723 -10.7723 -10.7158 -10.7158 -3.9479 -3.9479 -3.0229 -3.0229 -1.8306 -1.8306 -1.8026 -1.8026 -1.2600 -1.2600 -0.6879 -0.6879 1.1027 1.1027 1.4076 1.4076 1.7180 1.7180 3.4612 3.4612 3.8799 3.8799 k = 0.5768 0.1705 0.1018 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9473 -41.9473 -41.7249 -41.7249 -10.7658 -10.7658 -10.7120 -10.7120 -3.9158 -3.9158 -3.0261 -3.0261 -1.8796 -1.8796 -1.7973 -1.7973 -1.2953 -1.2953 -0.7103 -0.7103 1.1283 1.1283 1.4249 1.4249 1.7156 1.7156 3.4212 3.4212 3.8583 3.8583 k = 0.5823 0.1614 0.1018 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9474 -41.9474 -41.7249 -41.7249 -10.7593 -10.7593 -10.7082 -10.7082 -3.8815 -3.8815 -3.0296 -3.0296 -1.9408 -1.9408 -1.7883 -1.7883 -1.3205 -1.3205 -0.7346 -0.7346 1.1512 1.1512 1.4428 1.4428 1.7135 1.7135 3.3842 3.3842 3.8352 3.8352 k = 0.5877 0.1522 0.1018 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9475 -41.9475 -41.7249 -41.7249 -10.7529 -10.7529 -10.7042 -10.7042 -3.8451 -3.8451 -3.0334 -3.0334 -2.0103 -2.0103 -1.7776 -1.7776 -1.3373 -1.3373 -0.7608 -0.7608 1.1713 1.1713 1.4612 1.4612 1.7116 1.7116 3.3506 3.3506 3.8105 3.8105 k = 0.5932 0.1430 0.1018 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9475 -41.9475 -41.7249 -41.7249 -10.7466 -10.7466 -10.7002 -10.7002 -3.8066 -3.8066 -3.0373 -3.0373 -2.0858 -2.0858 -1.7654 -1.7654 -1.3472 -1.3472 -0.7886 -0.7886 1.1885 1.1885 1.4798 1.4798 1.7099 1.7099 3.3209 3.3209 3.7845 3.7845 k = 0.5987 0.1339 0.1018 ( 4174 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9476 -41.9476 -41.7249 -41.7249 -10.7406 -10.7406 -10.6961 -10.6961 -3.7660 -3.7660 -3.0414 -3.0414 -2.1652 -2.1652 -1.7517 -1.7517 -1.3521 -1.3521 -0.8180 -0.8180 1.2029 1.2029 1.4984 1.4984 1.7084 1.7084 3.2954 3.2954 3.7571 3.7571 k = 0.6042 0.1247 0.1018 ( 4180 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9477 -41.9477 -41.7250 -41.7250 -10.7350 -10.7350 -10.6920 -10.6920 -3.7235 -3.7235 -3.0456 -3.0456 -2.2469 -2.2469 -1.7365 -1.7365 -1.3534 -1.3534 -0.8487 -0.8487 1.2147 1.2147 1.5168 1.5168 1.7070 1.7070 3.2745 3.2745 3.7285 3.7285 k = 0.6097 0.1155 0.1018 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9477 -41.9477 -41.7250 -41.7250 -10.7298 -10.7298 -10.6879 -10.6879 -3.6791 -3.6791 -3.0500 -3.0500 -2.3293 -2.3293 -1.7200 -1.7200 -1.3520 -1.3520 -0.8805 -0.8805 1.2239 1.2239 1.5348 1.5348 1.7056 1.7056 3.2581 3.2581 3.6988 3.6988 k = 0.6152 0.1064 0.1018 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7250 -41.7250 -10.7253 -10.7253 -10.6839 -10.6839 -3.6328 -3.6328 -3.0543 -3.0543 -2.4115 -2.4115 -1.7022 -1.7022 -1.3489 -1.3489 -0.9130 -0.9130 1.2309 1.2309 1.5523 1.5523 1.7042 1.7042 3.2466 3.2466 3.6682 3.6682 k = 0.6206 0.0972 0.1018 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7250 -41.7250 -10.7214 -10.7214 -10.6800 -10.6800 -3.5847 -3.5847 -3.0587 -3.0587 -2.4927 -2.4927 -1.6832 -1.6832 -1.3448 -1.3448 -0.9458 -0.9458 1.2358 1.2358 1.5689 1.5689 1.7024 1.7024 3.2399 3.2399 3.6368 3.6368 k = 0.6261 0.0880 0.1018 ( 4186 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7184 -10.7184 -10.6762 -10.6762 -3.5349 -3.5349 -3.0631 -3.0631 -2.5721 -2.5721 -1.6632 -1.6632 -1.3401 -1.3401 -0.9786 -0.9786 1.2390 1.2390 1.5846 1.5846 1.7002 1.7002 3.2379 3.2379 3.6049 3.6049 k = 0.6316 0.0788 0.1018 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7164 -10.7164 -10.6726 -10.6726 -3.4835 -3.4835 -3.0674 -3.0674 -2.6492 -2.6492 -1.6423 -1.6423 -1.3353 -1.3353 -1.0108 -1.0108 1.2408 1.2408 1.5991 1.5991 1.6975 1.6975 3.2406 3.2406 3.5725 3.5725 k = 0.6371 0.0697 0.1018 ( 4178 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7154 -10.7154 -10.6692 -10.6692 -3.4305 -3.4305 -3.0716 -3.0716 -2.7234 -2.7234 -1.6209 -1.6209 -1.3307 -1.3307 -1.0419 -1.0419 1.2414 1.2414 1.6123 1.6123 1.6942 1.6942 3.2478 3.2478 3.5400 3.5400 k = 0.6426 0.0605 0.1018 ( 4180 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7157 -10.7157 -10.6661 -10.6661 -3.3762 -3.3762 -3.0756 -3.0756 -2.7944 -2.7944 -1.5994 -1.5994 -1.3267 -1.3267 -1.0711 -1.0711 1.2413 1.2413 1.6238 1.6238 1.6905 1.6905 3.2592 3.2592 3.5076 3.5076 k = 0.6481 0.0513 0.1018 ( 4180 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7251 -41.7251 -10.7173 -10.7173 -10.6632 -10.6632 -3.3206 -3.3206 -3.0795 -3.0795 -2.8617 -2.8617 -1.5784 -1.5784 -1.3236 -1.3236 -1.0977 -1.0977 1.2407 1.2407 1.6329 1.6329 1.6867 1.6867 3.2746 3.2746 3.4754 3.4754 k = 0.6535 0.0422 0.1018 ( 4180 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9478 -41.9478 -41.7251 -41.7251 -10.7203 -10.7203 -10.6607 -10.6607 -3.2639 -3.2639 -3.0832 -3.0832 -2.9248 -2.9248 -1.5586 -1.5586 -1.3217 -1.3217 -1.1206 -1.1206 1.2400 1.2400 1.6383 1.6383 1.6841 1.6841 3.2935 3.2935 3.4437 3.4437 k = 0.6590 0.0330 0.1018 ( 4176 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9477 -41.9477 -41.7251 -41.7251 -10.7249 -10.7249 -10.6585 -10.6585 -3.2065 -3.2065 -3.0867 -3.0867 -2.9832 -2.9832 -1.5411 -1.5411 -1.3211 -1.3211 -1.1384 -1.1384 1.2394 1.2394 1.6384 1.6384 1.6843 1.6843 3.3156 3.3156 3.4126 3.4126 k = 0.6645 0.0238 0.1018 ( 4170 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9477 -41.9477 -41.7251 -41.7251 -10.7311 -10.7311 -10.6567 -10.6567 -3.1501 -3.1501 -3.0901 -3.0901 -3.0350 -3.0350 -1.5270 -1.5270 -1.3222 -1.3222 -1.1500 -1.1500 1.2392 1.2392 1.6326 1.6326 1.6878 1.6878 3.3403 3.3403 3.3825 3.3825 k = 0.3355-0.5611 0.1583 ( 4170 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9477 -41.9477 -41.7251 -41.7251 -10.7311 -10.7311 -10.6567 -10.6567 -3.1501 -3.1501 -3.0901 -3.0901 -3.0350 -3.0350 -1.5270 -1.5270 -1.3222 -1.3222 -1.1500 -1.1500 1.2392 1.2392 1.6326 1.6326 1.6878 1.6878 3.3403 3.3403 3.3825 3.3825 k = 0.3300-0.5519 0.1583 ( 4174 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9476 -41.9476 -41.7252 -41.7252 -10.7391 -10.7391 -10.6553 -10.6553 -3.1137 -3.1137 -3.0938 -3.0938 -3.0606 -3.0606 -1.5173 -1.5173 -1.3253 -1.3253 -1.1539 -1.1539 1.2397 1.2397 1.6222 1.6222 1.6932 1.6932 3.3531 3.3531 3.3677 3.3677 k = 0.3245-0.5427 0.1583 ( 4174 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9475 -41.9475 -41.7252 -41.7252 -10.7490 -10.7490 -10.6543 -10.6543 -3.1435 -3.1435 -3.0952 -3.0952 -3.0162 -3.0162 -1.5125 -1.5125 -1.3303 -1.3303 -1.1494 -1.1494 1.2411 1.2411 1.6086 1.6086 1.6994 1.6994 3.3253 3.3253 3.3966 3.3966 k = 0.3190-0.5335 0.1583 ( 4176 PWs) bands (ev): -70.8669 -70.8669 -42.8967 -42.8967 -41.9473 -41.9473 -41.7252 -41.7252 -10.7608 -10.7608 -10.6539 -10.6539 -3.1817 -3.1817 -3.0973 -3.0973 -2.9567 -2.9567 -1.5124 -1.5124 -1.3377 -1.3377 -1.1365 -1.1365 1.2436 1.2436 1.5923 1.5923 1.7056 1.7056 3.2987 3.2987 3.4269 3.4269 k = 0.3135-0.5243 0.1583 ( 4176 PWs) bands (ev): -70.8669 -70.8669 -42.8966 -42.8966 -41.9472 -41.9472 -41.7252 -41.7252 -10.7746 -10.7746 -10.6539 -10.6539 -3.2162 -3.2162 -3.0993 -3.0993 -2.8950 -2.8950 -1.5161 -1.5161 -1.3474 -1.3474 -1.1159 -1.1159 1.2474 1.2474 1.5739 1.5739 1.7117 1.7117 3.2736 3.2736 3.4581 3.4581 k = 0.3080-0.5151 0.1583 ( 4172 PWs) bands (ev): -70.8669 -70.8669 -42.8964 -42.8964 -41.9470 -41.9470 -41.7252 -41.7252 -10.7904 -10.7904 -10.6545 -10.6545 -3.2459 -3.2459 -3.1008 -3.1008 -2.8325 -2.8325 -1.5223 -1.5223 -1.3596 -1.3596 -1.0887 -1.0887 1.2528 1.2528 1.5536 1.5536 1.7175 1.7175 3.2500 3.2500 3.4897 3.4897 k = 0.3025-0.5059 0.1583 ( 4172 PWs) bands (ev): -70.8669 -70.8669 -42.8963 -42.8963 -41.9468 -41.9468 -41.7252 -41.7252 -10.8083 -10.8083 -10.6557 -10.6557 -3.2703 -3.2703 -3.1021 -3.1021 -2.7695 -2.7695 -1.5297 -1.5297 -1.3743 -1.3743 -1.0564 -1.0564 1.2597 1.2597 1.5315 1.5315 1.7230 1.7230 3.2280 3.2280 3.5211 3.5211 k = 0.2970-0.4967 0.1583 ( 4174 PWs) bands (ev): -70.8670 -70.8670 -42.8961 -42.8961 -41.9466 -41.9466 -41.7252 -41.7252 -10.8283 -10.8283 -10.6574 -10.6574 -3.2894 -3.2894 -3.1029 -3.1029 -2.7063 -2.7063 -1.5370 -1.5370 -1.3917 -1.3917 -1.0197 -1.0197 1.2684 1.2684 1.5080 1.5080 1.7282 1.7282 3.2077 3.2077 3.5520 3.5520 k = 0.2915-0.4875 0.1583 ( 4174 PWs) bands (ev): -70.8670 -70.8670 -42.8960 -42.8960 -41.9463 -41.9463 -41.7252 -41.7252 -10.8504 -10.8504 -10.6597 -10.6597 -3.3030 -3.3030 -3.1034 -3.1034 -2.6431 -2.6431 -1.5433 -1.5433 -1.4117 -1.4117 -0.9796 -0.9796 1.2788 1.2788 1.4833 1.4833 1.7331 1.7331 3.1890 3.1890 3.5817 3.5817 k = 0.2860-0.4783 0.1583 ( 4174 PWs) bands (ev): -70.8670 -70.8670 -42.8958 -42.8958 -41.9460 -41.9460 -41.7252 -41.7252 -10.8746 -10.8746 -10.6627 -10.6627 -3.3112 -3.3112 -3.1034 -3.1034 -2.5802 -2.5802 -1.5481 -1.5481 -1.4343 -1.4343 -0.9366 -0.9366 1.2909 1.2909 1.4576 1.4576 1.7376 1.7376 3.1720 3.1720 3.6100 3.6100 k = 0.2805-0.4691 0.1583 ( 4166 PWs) bands (ev): -70.8671 -70.8671 -42.8955 -42.8955 -41.9457 -41.9457 -41.7252 -41.7252 -10.9009 -10.9009 -10.6663 -10.6663 -3.3138 -3.3138 -3.1030 -3.1030 -2.5177 -2.5177 -1.5507 -1.5507 -1.4595 -1.4595 -0.8912 -0.8912 1.3045 1.3045 1.4317 1.4317 1.7419 1.7419 3.1566 3.1566 3.6364 3.6364 k = 0.2750-0.4599 0.1583 ( 4166 PWs) bands (ev): -70.8671 -70.8671 -42.8953 -42.8953 -41.9454 -41.9454 -41.7251 -41.7251 -10.9292 -10.9292 -10.6705 -10.6705 -3.3110 -3.3110 -3.1020 -3.1020 -2.4559 -2.4559 -1.5508 -1.5508 -1.4872 -1.4872 -0.8437 -0.8437 1.3187 1.3187 1.4063 1.4063 1.7458 1.7458 3.1428 3.1428 3.6604 3.6604 k = 0.2695-0.4507 0.1583 ( 4168 PWs) bands (ev): -70.8672 -70.8672 -42.8951 -42.8951 -41.9450 -41.9450 -41.7252 -41.7252 -10.9594 -10.9594 -10.6754 -10.6754 -3.3027 -3.3027 -3.1005 -3.1005 -2.3949 -2.3949 -1.5484 -1.5484 -1.5170 -1.5170 -0.7945 -0.7945 1.3302 1.3302 1.3852 1.3852 1.7494 1.7494 3.1305 3.1305 3.6817 3.6817 k = 0.2640-0.4415 0.1583 ( 4166 PWs) bands (ev): -70.8672 -70.8672 -42.8948 -42.8948 -41.9446 -41.9446 -41.7251 -41.7251 -10.9915 -10.9915 -10.6809 -10.6809 -3.2892 -3.2892 -3.0984 -3.0984 -2.3349 -2.3349 -1.5517 -1.5517 -1.5405 -1.5405 -0.7438 -0.7438 1.3270 1.3270 1.3805 1.3805 1.7526 1.7526 3.1197 3.1197 3.7000 3.7000 k = 0.2585-0.4324 0.1583 ( 4164 PWs) bands (ev): -70.8673 -70.8673 -42.8946 -42.8946 -41.9442 -41.9442 -41.7251 -41.7251 -11.0255 -11.0255 -10.6870 -10.6870 -3.2705 -3.2705 -3.0956 -3.0956 -2.2762 -2.2762 -1.5847 -1.5847 -1.5331 -1.5331 -0.6916 -0.6916 1.3068 1.3068 1.3947 1.3947 1.7554 1.7554 3.1103 3.1103 3.7151 3.7151 k = 0.2530-0.4232 0.1583 ( 4156 PWs) bands (ev): -70.8673 -70.8673 -42.8943 -42.8943 -41.9437 -41.9437 -41.7251 -41.7251 -11.0612 -11.0612 -10.6939 -10.6939 -3.2467 -3.2467 -3.0920 -3.0920 -2.2190 -2.2190 -1.6207 -1.6207 -1.5213 -1.5213 -0.6383 -0.6383 1.2816 1.2816 1.4159 1.4159 1.7579 1.7579 3.1024 3.1024 3.7266 3.7266 k = 0.2475-0.4140 0.1583 ( 4160 PWs) bands (ev): -70.8674 -70.8674 -42.8940 -42.8940 -41.9433 -41.9433 -41.7251 -41.7251 -11.0985 -11.0985 -10.7013 -10.7013 -3.2182 -3.2182 -3.0876 -3.0876 -2.1636 -2.1636 -1.6584 -1.6584 -1.5062 -1.5062 -0.5840 -0.5840 1.2554 1.2554 1.4402 1.4402 1.7599 1.7599 3.0958 3.0958 3.7343 3.7343 k = 0.2420-0.4048 0.1583 ( 4162 PWs) bands (ev): -70.8674 -70.8674 -42.8936 -42.8936 -41.9428 -41.9428 -41.7251 -41.7251 -11.1372 -11.1372 -10.7094 -10.7094 -3.1850 -3.1850 -3.0822 -3.0822 -2.1103 -2.1103 -1.6973 -1.6973 -1.4879 -1.4879 -0.5287 -0.5287 1.2295 1.2295 1.4664 1.4664 1.7615 1.7615 3.0907 3.0907 3.7383 3.7383 k = 0.2365-0.3956 0.1583 ( 4162 PWs) bands (ev): -70.8675 -70.8675 -42.8933 -42.8933 -41.9423 -41.9423 -41.7251 -41.7251 -11.1774 -11.1774 -10.7180 -10.7180 -3.1475 -3.1475 -3.0759 -3.0759 -2.0594 -2.0594 -1.7367 -1.7367 -1.4664 -1.4664 -0.4728 -0.4728 1.2044 1.2044 1.4941 1.4941 1.7626 1.7626 3.0870 3.0870 3.7384 3.7384 k = 0.2310-0.3864 0.1583 ( 4166 PWs) bands (ev): -70.8676 -70.8676 -42.8930 -42.8930 -41.9418 -41.9418 -41.7251 -41.7251 -11.2188 -11.2188 -10.7273 -10.7273 -3.1061 -3.1061 -3.0684 -3.0684 -2.0119 -2.0119 -1.7757 -1.7757 -1.4417 -1.4417 -0.4162 -0.4162 1.1802 1.1802 1.5229 1.5229 1.7633 1.7633 3.0848 3.0848 3.7345 3.7345 k = 0.2255-0.3772 0.1583 ( 4162 PWs) bands (ev): -70.8676 -70.8676 -42.8926 -42.8926 -41.9412 -41.9412 -41.7251 -41.7251 -11.2613 -11.2613 -10.7371 -10.7371 -3.0641 -3.0641 -3.0567 -3.0567 -1.9699 -1.9699 -1.8119 -1.8119 -1.4139 -1.4139 -0.3593 -0.3593 1.1573 1.1573 1.5527 1.5527 1.7635 1.7635 3.0841 3.0841 3.7269 3.7269 k = 0.2200-0.3680 0.1583 ( 4158 PWs) bands (ev): -70.8677 -70.8677 -42.8922 -42.8922 -41.9406 -41.9406 -41.7250 -41.7250 -11.3048 -11.3048 -10.7475 -10.7475 -3.0509 -3.0509 -3.0119 -3.0119 -1.9409 -1.9409 -1.8372 -1.8372 -1.3832 -1.3832 -0.3021 -0.3021 1.1358 1.1358 1.5831 1.5831 1.7634 1.7634 3.0849 3.0849 3.7156 3.7156 k = 0.2145-0.3588 0.1583 ( 4160 PWs) bands (ev): -70.8678 -70.8678 -42.8918 -42.8918 -41.9400 -41.9400 -41.7250 -41.7250 -11.3492 -11.3492 -10.7584 -10.7584 -3.0397 -3.0397 -2.9613 -2.9613 -1.9425 -1.9425 -1.8337 -1.8337 -1.3495 -1.3495 -0.2449 -0.2449 1.1158 1.1158 1.6137 1.6137 1.7629 1.7629 3.0875 3.0875 3.7008 3.7008 k = 0.2090-0.3496 0.1583 ( 4158 PWs) bands (ev): -70.8678 -70.8678 -42.8914 -42.8914 -41.9394 -41.9394 -41.7250 -41.7250 -11.3942 -11.3942 -10.7697 -10.7697 -3.0274 -3.0274 -2.9090 -2.9090 -1.9690 -1.9690 -1.8062 -1.8062 -1.3131 -1.3131 -0.1878 -0.1878 1.0975 1.0975 1.6441 1.6441 1.7622 1.7622 3.0918 3.0918 3.6828 3.6828 k = 0.2035-0.3404 0.1583 ( 4158 PWs) bands (ev): -70.8679 -70.8679 -42.8910 -42.8910 -41.9387 -41.9387 -41.7250 -41.7250 -11.4398 -11.4398 -10.7815 -10.7815 -3.0136 -3.0136 -2.8562 -2.8562 -2.0016 -2.0016 -1.7724 -1.7724 -1.2741 -1.2741 -0.1312 -0.1312 1.0809 1.0809 1.6738 1.6738 1.7618 1.7618 3.0979 3.0979 3.6618 3.6618 k = 0.1980-0.3312 0.1583 ( 4154 PWs) bands (ev): -70.8680 -70.8680 -42.8906 -42.8906 -41.9381 -41.9381 -41.7250 -41.7250 -11.4859 -11.4859 -10.7937 -10.7937 -2.9984 -2.9984 -2.8045 -2.8045 -2.0330 -2.0330 -1.7382 -1.7382 -1.2324 -1.2324 -0.0752 -0.0752 1.0661 1.0661 1.7014 1.7014 1.7626 1.7626 3.1062 3.1062 3.6383 3.6383 k = 0.1925-0.3220 0.1583 ( 4160 PWs) bands (ev): -70.8681 -70.8681 -42.8902 -42.8902 -41.9374 -41.9374 -41.7250 -41.7250 -11.5322 -11.5322 -10.8063 -10.8063 -2.9817 -2.9817 -2.7561 -2.7561 -2.0597 -2.0597 -1.7049 -1.7049 -1.1884 -1.1884 -0.0201 -0.0201 1.0530 1.0530 1.7235 1.7235 1.7679 1.7679 3.1166 3.1166 3.6125 3.6125 k = 0.1870-0.3128 0.1583 ( 4152 PWs) bands (ev): -70.8681 -70.8681 -42.8897 -42.8897 -41.9367 -41.9367 -41.7249 -41.7249 -11.5787 -11.5787 -10.8192 -10.8192 -2.9635 -2.9635 -2.7138 -2.7138 -2.0787 -2.0787 -1.6727 -1.6727 -1.1421 -1.1421 0.0336 0.0336 1.0417 1.0417 1.7349 1.7349 1.7828 1.7828 3.1293 3.1293 3.5850 3.5850 k = 0.1815-0.3036 0.1583 ( 4150 PWs) bands (ev): -70.8682 -70.8682 -42.8892 -42.8892 -41.9360 -41.9360 -41.7249 -41.7249 -11.6252 -11.6252 -10.8324 -10.8324 -2.9437 -2.9437 -2.6811 -2.6811 -2.0868 -2.0868 -1.6414 -1.6414 -1.0936 -1.0936 0.0857 0.0857 1.0321 1.0321 1.7376 1.7376 1.8048 1.8048 3.1445 3.1445 3.5561 3.5561 k = 0.1760-0.2944 0.1583 ( 4142 PWs) bands (ev): -70.8683 -70.8683 -42.8888 -42.8888 -41.9353 -41.9353 -41.7249 -41.7249 -11.6716 -11.6716 -10.8459 -10.8459 -2.9224 -2.9224 -2.6609 -2.6609 -2.0814 -2.0814 -1.6105 -1.6105 -1.0432 -1.0432 0.1357 0.1357 1.0241 1.0241 1.7371 1.7371 1.8285 1.8285 3.1623 3.1623 3.5264 3.5264 k = 0.1705-0.2852 0.1583 ( 4144 PWs) bands (ev): -70.8684 -70.8684 -42.8883 -42.8883 -41.9346 -41.9346 -41.7249 -41.7249 -11.7177 -11.7177 -10.8595 -10.8595 -2.8996 -2.8996 -2.6547 -2.6547 -2.0619 -2.0619 -1.5791 -1.5791 -0.9908 -0.9908 0.1832 0.1832 1.0177 1.0177 1.7356 1.7356 1.8514 1.8514 3.1827 3.1827 3.4964 3.4964 k = 0.1650-0.2760 0.1583 ( 4148 PWs) bands (ev): -70.8685 -70.8685 -42.8879 -42.8879 -41.9339 -41.9339 -41.7249 -41.7249 -11.7635 -11.7635 -10.8733 -10.8733 -2.8752 -2.8752 -2.6618 -2.6618 -2.0302 -2.0302 -1.5461 -1.5461 -0.9368 -0.9368 0.2278 0.2278 1.0127 1.0127 1.7340 1.7340 1.8727 1.8727 3.2059 3.2059 3.4665 3.4665 k = 0.1595-0.2668 0.1583 ( 4154 PWs) bands (ev): -70.8685 -70.8685 -42.8874 -42.8874 -41.9332 -41.9332 -41.7248 -41.7248 -11.8089 -11.8089 -10.8872 -10.8872 -2.8494 -2.8494 -2.6796 -2.6796 -1.9903 -1.9903 -1.5098 -1.5098 -0.8811 -0.8811 0.2690 0.2690 1.0091 1.0091 1.7325 1.7325 1.8919 1.8919 3.2317 3.2317 3.4375 3.4375 k = 0.1540-0.2576 0.1583 ( 4150 PWs) bands (ev): -70.8686 -70.8686 -42.8869 -42.8869 -41.9324 -41.9324 -41.7248 -41.7248 -11.8536 -11.8536 -10.9012 -10.9012 -2.8221 -2.8221 -2.7053 -2.7053 -1.9467 -1.9467 -1.4685 -1.4685 -0.8240 -0.8240 0.3062 0.3062 1.0068 1.0068 1.7315 1.7315 1.9088 1.9088 3.2601 3.2601 3.4099 3.4099 k = 0.1485-0.2484 0.1583 ( 4148 PWs) bands (ev): -70.8687 -70.8687 -42.8865 -42.8865 -41.9317 -41.9317 -41.7248 -41.7248 -11.8977 -11.8977 -10.9152 -10.9152 -2.7940 -2.7940 -2.7357 -2.7357 -1.9040 -1.9040 -1.4201 -1.4201 -0.7656 -0.7656 0.3391 0.3391 1.0056 1.0056 1.7311 1.7311 1.9231 1.9231 3.2910 3.2910 3.3844 3.3844 k = 0.1430-0.2392 0.1583 ( 4146 PWs) bands (ev): -70.8688 -70.8688 -42.8860 -42.8860 -41.9310 -41.9310 -41.7248 -41.7248 -11.9410 -11.9410 -10.9291 -10.9291 -2.7778 -2.7778 -2.7562 -2.7562 -1.8654 -1.8654 -1.3632 -1.3632 -0.7061 -0.7061 0.3671 0.3671 1.0054 1.0054 1.7312 1.7312 1.9348 1.9348 3.3241 3.3241 3.3616 3.3616 k = 0.1375-0.2300 0.1583 ( 4146 PWs) bands (ev): -70.8689 -70.8689 -42.8855 -42.8855 -41.9302 -41.9302 -41.7247 -41.7247 -11.9834 -11.9834 -10.9430 -10.9430 -2.8101 -2.8101 -2.7290 -2.7290 -1.8329 -1.8329 -1.2971 -1.2971 -0.6456 -0.6456 0.3900 0.3900 1.0060 1.0060 1.7319 1.7319 1.9438 1.9438 3.3413 3.3413 3.3602 3.3602 k = 0.1320-0.2208 0.1583 ( 4142 PWs) bands (ev): -70.8690 -70.8690 -42.8851 -42.8851 -41.9295 -41.9295 -41.7247 -41.7247 -12.0248 -12.0248 -10.9567 -10.9567 -2.8476 -2.8476 -2.6965 -2.6965 -1.8072 -1.8072 -1.2219 -1.2219 -0.5841 -0.5841 0.4075 0.4075 1.0074 1.0074 1.7328 1.7328 1.9502 1.9502 3.3260 3.3260 3.3971 3.3971 k = 0.1265-0.2116 0.1583 ( 4148 PWs) bands (ev): -70.8690 -70.8690 -42.8846 -42.8846 -41.9288 -41.9288 -41.7247 -41.7247 -12.0652 -12.0652 -10.9703 -10.9703 -2.8859 -2.8859 -2.6624 -2.6624 -1.7879 -1.7879 -1.1389 -1.1389 -0.5220 -0.5220 0.4194 0.4194 1.0094 1.0094 1.7337 1.7337 1.9539 1.9539 3.3151 3.3151 3.4357 3.4357 k = 0.1210-0.2024 0.1583 ( 4144 PWs) bands (ev): -70.8691 -70.8691 -42.8842 -42.8842 -41.9281 -41.9281 -41.7246 -41.7246 -12.1044 -12.1044 -10.9836 -10.9836 -2.9243 -2.9243 -2.6270 -2.6270 -1.7741 -1.7741 -1.0492 -1.0492 -0.4594 -0.4594 0.4257 0.4257 1.0120 1.0120 1.7341 1.7341 1.9550 1.9550 3.3094 3.3094 3.4755 3.4755 k = 0.1155-0.1932 0.1583 ( 4150 PWs) bands (ev): -70.8692 -70.8692 -42.8837 -42.8837 -41.9275 -41.9275 -41.7246 -41.7246 -12.1424 -12.1424 -10.9967 -10.9967 -2.9623 -2.9623 -2.5906 -2.5906 -1.7648 -1.7648 -0.9543 -0.9543 -0.3963 -0.3963 0.4265 0.4265 1.0150 1.0150 1.7335 1.7335 1.9536 1.9536 3.3095 3.3095 3.5162 3.5162 k = 0.1100-0.1840 0.1583 ( 4148 PWs) bands (ev): -70.8693 -70.8693 -42.8833 -42.8833 -41.9268 -41.9268 -41.7246 -41.7246 -12.1791 -12.1791 -11.0095 -11.0095 -2.9996 -2.9996 -2.5533 -2.5533 -1.7591 -1.7591 -0.8554 -0.8554 -0.3329 -0.3329 0.4220 0.4220 1.0183 1.0183 1.7315 1.7315 1.9498 1.9498 3.3158 3.3158 3.5572 3.5572 k = 0.1045-0.1748 0.1583 ( 4140 PWs) bands (ev): -70.8693 -70.8693 -42.8829 -42.8829 -41.9261 -41.9261 -41.7245 -41.7245 -12.2144 -12.2144 -11.0219 -11.0219 -3.0359 -3.0359 -2.5152 -2.5152 -1.7562 -1.7562 -0.7535 -0.7535 -0.2694 -0.2694 0.4126 0.4126 1.0219 1.0219 1.7275 1.7275 1.9436 1.9436 3.3286 3.3286 3.5983 3.5983 k = 0.0990-0.1656 0.1583 ( 4144 PWs) bands (ev): -70.8694 -70.8694 -42.8825 -42.8825 -41.9255 -41.9255 -41.7245 -41.7245 -12.2483 -12.2483 -11.0339 -11.0339 -3.0711 -3.0711 -2.4765 -2.4765 -1.7555 -1.7555 -0.6495 -0.6495 -0.2060 -0.2060 0.3988 0.3988 1.0257 1.0257 1.7211 1.7211 1.9351 1.9351 3.3479 3.3479 3.6391 3.6391 k = 0.0935-0.1564 0.1583 ( 4148 PWs) bands (ev): -70.8695 -70.8695 -42.8821 -42.8821 -41.9249 -41.9249 -41.7245 -41.7245 -12.2807 -12.2807 -11.0456 -11.0456 -3.1051 -3.1051 -2.4373 -2.4373 -1.7566 -1.7566 -0.5442 -0.5442 -0.1429 -0.1429 0.3809 0.3809 1.0297 1.0297 1.7120 1.7120 1.9243 1.9243 3.3737 3.3737 3.6792 3.6792 k = 0.0880-0.1472 0.1583 ( 4142 PWs) bands (ev): -70.8695 -70.8695 -42.8817 -42.8817 -41.9243 -41.9243 -41.7245 -41.7245 -12.3115 -12.3115 -11.0567 -11.0567 -3.1376 -3.1376 -2.3978 -2.3978 -1.7589 -1.7589 -0.4382 -0.4382 -0.0801 -0.0801 0.3597 0.3597 1.0337 1.0337 1.7000 1.7000 1.9114 1.9114 3.4058 3.4058 3.7183 3.7183 k = 0.0825-0.1380 0.1583 ( 4140 PWs) bands (ev): -70.8696 -70.8696 -42.8814 -42.8814 -41.9237 -41.9237 -41.7244 -41.7244 -12.3407 -12.3407 -11.0674 -11.0674 -3.1686 -3.1686 -2.3582 -2.3582 -1.7623 -1.7623 -0.3322 -0.3322 -0.0179 -0.0179 0.3356 0.3356 1.0379 1.0379 1.6850 1.6850 1.8963 1.8963 3.4435 3.4435 3.7562 3.7562 k = 0.0770-0.1288 0.1583 ( 4142 PWs) bands (ev): -70.8697 -70.8697 -42.8810 -42.8810 -41.9232 -41.9232 -41.7244 -41.7244 -12.3682 -12.3682 -11.0775 -11.0775 -3.1979 -3.1979 -2.3188 -2.3188 -1.7664 -1.7664 -0.2268 -0.2268 0.0434 0.0434 0.3093 0.3093 1.0421 1.0421 1.6671 1.6671 1.8790 1.8790 3.4863 3.4863 3.7924 3.7924 k = 0.0715-0.1196 0.1583 ( 4142 PWs) bands (ev): -70.8697 -70.8697 -42.8807 -42.8807 -41.9227 -41.9227 -41.7244 -41.7244 -12.3941 -12.3941 -11.0871 -11.0871 -3.2255 -3.2255 -2.2799 -2.2799 -1.7709 -1.7709 -0.1227 -0.1227 0.1035 0.1035 0.2818 0.2818 1.0464 1.0464 1.6465 1.6465 1.8597 1.8597 3.5334 3.5334 3.8268 3.8268 k = 0.0660-0.1104 0.1583 ( 4136 PWs) bands (ev): -70.8698 -70.8698 -42.8804 -42.8804 -41.9222 -41.9222 -41.7243 -41.7243 -12.4182 -12.4182 -11.0961 -11.0961 -3.2513 -3.2513 -2.2416 -2.2416 -1.7758 -1.7758 -0.0209 -0.0209 0.1611 0.1611 0.2548 0.2548 1.0508 1.0508 1.6235 1.6235 1.8382 1.8382 3.5839 3.5839 3.8591 3.8591 k = 0.0605-0.1012 0.1583 ( 4138 PWs) bands (ev): -70.8698 -70.8698 -42.8801 -42.8801 -41.9218 -41.9218 -41.7243 -41.7243 -12.4405 -12.4405 -11.1045 -11.1045 -3.2753 -3.2753 -2.2043 -2.2043 -1.7807 -1.7807 0.0767 0.0767 0.2044 0.2044 0.2422 0.2422 1.0554 1.0554 1.5985 1.5985 1.8147 1.8147 3.6367 3.6367 3.8892 3.8892 k = 0.0550-0.0920 0.1583 ( 4140 PWs) bands (ev): -70.8699 -70.8699 -42.8799 -42.8799 -41.9214 -41.9214 -41.7243 -41.7243 -12.4610 -12.4610 -11.1122 -11.1122 -3.2974 -3.2974 -2.1684 -2.1684 -1.7857 -1.7857 0.1530 0.1530 0.2094 0.2094 0.2843 0.2843 1.0603 1.0603 1.5718 1.5718 1.7892 1.7892 3.6908 3.6908 3.9169 3.9169 k = 0.0495-0.0828 0.1583 ( 4140 PWs) bands (ev): -70.8699 -70.8699 -42.8796 -42.8796 -41.9210 -41.9210 -41.7243 -41.7243 -12.4796 -12.4796 -11.1193 -11.1193 -3.3174 -3.3174 -2.1341 -2.1341 -1.7905 -1.7905 0.1477 0.1477 0.2800 0.2800 0.3372 0.3372 1.0654 1.0654 1.5439 1.5439 1.7617 1.7617 3.7450 3.7450 3.9421 3.9421 k = 0.0440-0.0736 0.1583 ( 4148 PWs) bands (ev): -70.8700 -70.8700 -42.8794 -42.8794 -41.9207 -41.9207 -41.7243 -41.7243 -12.4963 -12.4963 -11.1257 -11.1257 -3.3355 -3.3355 -2.1019 -2.1019 -1.7950 -1.7950 0.1223 0.1223 0.3645 0.3645 0.3902 0.3902 1.0711 1.0711 1.5155 1.5155 1.7325 1.7325 3.7982 3.7982 3.9647 3.9647 k = 0.0385-0.0644 0.1583 ( 4142 PWs) bands (ev): -70.8700 -70.8700 -42.8792 -42.8792 -41.9204 -41.9204 -41.7243 -41.7243 -12.5112 -12.5112 -11.1313 -11.1313 -3.3516 -3.3516 -2.0721 -2.0721 -1.7992 -1.7992 0.0964 0.0964 0.4324 0.4324 0.4537 0.4537 1.0775 1.0775 1.4871 1.4871 1.7018 1.7018 3.8491 3.8491 3.9848 3.9848 k = 0.0330-0.0552 0.1583 ( 4144 PWs) bands (ev): -70.8700 -70.8700 -42.8790 -42.8790 -41.9201 -41.9201 -41.7243 -41.7243 -12.5241 -12.5241 -11.1363 -11.1363 -3.3655 -3.3655 -2.0452 -2.0452 -1.8030 -1.8030 0.0720 0.0720 0.4800 0.4800 0.5278 0.5278 1.0849 1.0849 1.4595 1.4595 1.6700 1.6700 3.8964 3.8964 4.0022 4.0022 k = 0.0275-0.0460 0.1583 ( 4146 PWs) bands (ev): -70.8700 -70.8700 -42.8789 -42.8789 -41.9199 -41.9199 -41.7243 -41.7243 -12.5350 -12.5350 -11.1405 -11.1405 -3.3774 -3.3774 -2.0216 -2.0216 -1.8063 -1.8063 0.0501 0.0501 0.5215 0.5215 0.5958 0.5958 1.0933 1.0933 1.4335 1.4335 1.6379 1.6379 3.9389 3.9389 4.0171 4.0171 k = 0.0220-0.0368 0.1583 ( 4154 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9197 -41.9197 -41.7243 -41.7243 -12.5440 -12.5440 -11.1440 -11.1440 -3.3871 -3.3871 -2.0017 -2.0017 -1.8091 -1.8091 0.0313 0.0313 0.5576 0.5576 0.6543 0.6543 1.1027 1.1027 1.4103 1.4103 1.6066 1.6066 3.9751 3.9751 4.0297 4.0297 k = 0.0165-0.0276 0.1583 ( 4148 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9196 -41.9196 -41.7243 -41.7243 -12.5510 -12.5510 -11.1467 -11.1467 -3.3947 -3.3947 -1.9857 -1.9857 -1.8113 -1.8113 0.0161 0.0161 0.5873 0.5873 0.7017 0.7017 1.1127 1.1127 1.3910 1.3910 1.5777 1.5777 4.0038 4.0038 4.0403 4.0403 k = 0.0110-0.0184 0.1583 ( 4154 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9195 -41.9195 -41.7243 -41.7243 -12.5560 -12.5560 -11.1486 -11.1486 -3.4001 -3.4001 -1.9741 -1.9741 -1.8129 -1.8129 0.0050 0.0050 0.6096 0.6096 0.7365 0.7365 1.1222 1.1222 1.3766 1.3766 1.5536 1.5536 4.0233 4.0233 4.0495 4.0495 k = 0.0055-0.0092 0.1583 ( 4160 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5590 -12.5590 -11.1498 -11.1498 -3.4034 -3.4034 -1.9671 -1.9671 -1.8139 -1.8139 -0.0018 -0.0018 0.6235 0.6235 0.7577 0.7577 1.1291 1.1291 1.3679 1.3679 1.5372 1.5372 4.0337 4.0337 4.0567 4.0567 k = 0.0000 0.0000 0.1583 ( 4160 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4045 -3.4045 -1.9647 -1.9647 -1.8142 -1.8142 -0.0041 -0.0041 0.6282 0.6282 0.7648 0.7648 1.1317 1.1317 1.3649 1.3649 1.5314 1.5314 4.0367 4.0367 4.0595 4.0595 k = 0.0000 0.0000 0.1583 ( 4160 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4045 -3.4045 -1.9647 -1.9647 -1.8142 -1.8142 -0.0041 -0.0041 0.6282 0.6282 0.7648 0.7648 1.1317 1.1317 1.3649 1.3649 1.5314 1.5314 4.0367 4.0367 4.0595 4.0595 k = 0.0091 0.0054 0.1583 ( 4161 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5590 -12.5590 -11.1498 -11.1498 -3.4034 -3.4034 -1.9644 -1.9644 -1.8170 -1.8170 -0.0015 -0.0015 0.6226 0.6226 0.7599 0.7599 1.1366 1.1366 1.3557 1.3557 1.5405 1.5405 4.0340 4.0340 4.0568 4.0568 k = 0.0182 0.0109 0.1583 ( 4153 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9195 -41.9195 -41.7243 -41.7243 -12.5560 -12.5560 -11.1485 -11.1485 -3.4002 -3.4002 -1.9633 -1.9633 -1.8253 -1.8253 0.0061 0.0061 0.6062 0.6062 0.7455 0.7455 1.1505 1.1505 1.3332 1.3332 1.5632 1.5632 4.0246 4.0246 4.0503 4.0503 k = 0.0273 0.0163 0.1583 ( 4157 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9196 -41.9196 -41.7243 -41.7243 -12.5510 -12.5510 -11.1464 -11.1464 -3.3949 -3.3949 -1.9616 -1.9616 -1.8391 -1.8391 0.0186 0.0186 0.5808 0.5808 0.7210 0.7210 1.1712 1.1712 1.3055 1.3055 1.5920 1.5920 4.0063 4.0063 4.0424 4.0424 k = 0.0364 0.0218 0.1583 ( 4161 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9197 -41.9197 -41.7243 -41.7243 -12.5440 -12.5440 -11.1435 -11.1435 -3.3874 -3.3874 -1.9592 -1.9592 -1.8579 -1.8579 0.0356 0.0356 0.5484 0.5484 0.6863 0.6863 1.1953 1.1953 1.2788 1.2788 1.6227 1.6227 3.9790 3.9790 4.0339 4.0339 k = 0.0455 0.0272 0.1583 ( 4161 PWs) bands (ev): -70.8700 -70.8700 -42.8790 -42.8790 -41.9200 -41.9200 -41.7243 -41.7243 -12.5350 -12.5350 -11.1397 -11.1397 -3.3778 -3.3778 -1.9561 -1.9561 -1.8813 -1.8813 0.0565 0.0565 0.5108 0.5108 0.6413 0.6413 1.2129 1.2129 1.2638 1.2638 1.6534 1.6534 3.9439 3.9439 4.0243 4.0243 k = 0.0546 0.0327 0.1583 ( 4158 PWs) bands (ev): -70.8700 -70.8700 -42.8791 -42.8791 -41.9202 -41.9202 -41.7243 -41.7243 -12.5240 -12.5240 -11.1352 -11.1352 -3.3662 -3.3662 -1.9526 -1.9526 -1.9088 -1.9088 0.0807 0.0807 0.4694 0.4694 0.5862 0.5862 1.2051 1.2051 1.2790 1.2790 1.6830 1.6830 3.9023 3.9023 4.0135 4.0135 k = 0.0637 0.0381 0.1583 ( 4161 PWs) bands (ev): -70.8700 -70.8700 -42.8793 -42.8793 -41.9205 -41.9205 -41.7243 -41.7243 -12.5111 -12.5111 -11.1298 -11.1298 -3.3524 -3.3524 -1.9500 -1.9500 -1.9385 -1.9385 0.1076 0.1076 0.4254 0.4254 0.5217 0.5217 1.1863 1.1863 1.3092 1.3092 1.7111 1.7111 3.8553 3.8553 4.0013 4.0013 k = 0.0728 0.0435 0.1583 ( 4159 PWs) bands (ev): -70.8699 -70.8699 -42.8795 -42.8795 -41.9208 -41.9208 -41.7243 -41.7243 -12.4962 -12.4962 -11.1237 -11.1237 -3.3367 -3.3367 -1.9763 -1.9763 -1.9420 -1.9420 0.1361 0.1361 0.3795 0.3795 0.4490 0.4490 1.1673 1.1673 1.3426 1.3426 1.7375 1.7375 3.8039 3.8039 3.9880 3.9880 k = 0.0819 0.0490 0.1583 ( 4161 PWs) bands (ev): -70.8699 -70.8699 -42.8798 -42.8798 -41.9212 -41.9212 -41.7244 -41.7244 -12.4794 -12.4794 -11.1168 -11.1168 -3.3189 -3.3189 -2.0136 -2.0136 -1.9368 -1.9368 0.1642 0.1642 0.3319 0.3319 0.3707 0.3707 1.1500 1.1500 1.3764 1.3764 1.7621 1.7621 3.7489 3.7489 3.9738 3.9738 k = 0.0910 0.0544 0.1583 ( 4162 PWs) bands (ev): -70.8698 -70.8698 -42.8800 -42.8800 -41.9216 -41.9216 -41.7244 -41.7244 -12.4607 -12.4607 -11.1091 -11.1091 -3.2991 -3.2991 -2.0535 -2.0535 -1.9308 -1.9308 0.1849 0.1849 0.2781 0.2781 0.2994 0.2994 1.1342 1.1342 1.4097 1.4097 1.7851 1.7851 3.6916 3.6916 3.9587 3.9587 k = 0.1001 0.0599 0.1583 ( 4162 PWs) bands (ev): -70.8698 -70.8698 -42.8803 -42.8803 -41.9220 -41.9220 -41.7244 -41.7244 -12.4401 -12.4401 -11.1008 -11.1008 -3.2774 -3.2774 -2.0953 -2.0953 -1.9242 -1.9242 0.1542 0.1542 0.2293 0.2293 0.2682 0.2682 1.1199 1.1199 1.4419 1.4419 1.8063 1.8063 3.6327 3.6327 3.9432 3.9432 k = 0.1092 0.0653 0.1583 ( 4163 PWs) bands (ev): -70.8697 -70.8697 -42.8806 -42.8806 -41.9225 -41.9225 -41.7244 -41.7244 -12.4177 -12.4177 -11.0917 -11.0917 -3.2539 -3.2539 -2.1388 -2.1388 -1.9171 -1.9171 0.0655 0.0655 0.1856 0.1856 0.2844 0.2844 1.1066 1.1066 1.4725 1.4725 1.8258 1.8258 3.5733 3.5733 3.9273 3.9273 k = 0.1183 0.0707 0.1583 ( 4169 PWs) bands (ev): -70.8697 -70.8697 -42.8810 -42.8810 -41.9230 -41.9230 -41.7244 -41.7244 -12.3935 -12.3935 -11.0819 -11.0819 -3.2285 -3.2285 -2.1835 -2.1835 -1.9096 -1.9096 -0.0367 -0.0367 0.1386 0.1386 0.3119 0.3119 1.0940 1.0940 1.5014 1.5014 1.8438 1.8438 3.5143 3.5143 3.9113 3.9113 k = 0.1274 0.0762 0.1583 ( 4165 PWs) bands (ev): -70.8696 -70.8696 -42.8813 -42.8813 -41.9235 -41.9235 -41.7244 -41.7244 -12.3675 -12.3675 -11.0715 -11.0715 -3.2013 -3.2013 -2.2291 -2.2291 -1.9018 -1.9018 -0.1446 -0.1446 0.0915 0.0915 0.3405 0.3405 1.0820 1.0820 1.5282 1.5282 1.8602 1.8602 3.4566 3.4566 3.8956 3.8956 k = 0.1365 0.0816 0.1583 ( 4165 PWs) bands (ev): -70.8695 -70.8695 -42.8817 -42.8817 -41.9241 -41.9241 -41.7245 -41.7245 -12.3398 -12.3398 -11.0605 -11.0605 -3.1726 -3.1726 -2.2753 -2.2753 -1.8936 -1.8936 -0.2563 -0.2563 0.0446 0.0446 0.3677 0.3677 1.0703 1.0703 1.5526 1.5526 1.8752 1.8752 3.4011 3.4011 3.8802 3.8802 k = 0.1456 0.0871 0.1583 ( 4169 PWs) bands (ev): -70.8695 -70.8695 -42.8821 -42.8821 -41.9247 -41.9247 -41.7245 -41.7245 -12.3104 -12.3104 -11.0489 -11.0489 -3.1422 -3.1422 -2.3218 -2.3218 -1.8852 -1.8852 -0.3708 -0.3708 -0.0015 -0.0015 0.3926 0.3926 1.0587 1.0587 1.5747 1.5747 1.8886 1.8886 3.3487 3.3487 3.8654 3.8654 k = 0.1547 0.0925 0.1583 ( 4173 PWs) bands (ev): -70.8694 -70.8694 -42.8825 -42.8825 -41.9254 -41.9254 -41.7245 -41.7245 -12.2793 -12.2793 -11.0368 -11.0368 -3.1104 -3.1104 -2.3684 -2.3684 -1.8766 -1.8766 -0.4876 -0.4876 -0.0468 -0.0468 0.4143 0.4143 1.0471 1.0471 1.5942 1.5942 1.9006 1.9006 3.3003 3.3003 3.8515 3.8515 k = 0.1638 0.0980 0.1583 ( 4172 PWs) bands (ev): -70.8693 -70.8693 -42.8829 -42.8829 -41.9260 -41.9260 -41.7245 -41.7245 -12.2466 -12.2466 -11.0242 -11.0242 -3.0774 -3.0774 -2.4148 -2.4148 -1.8679 -1.8679 -0.6059 -0.6059 -0.0910 -0.0910 0.4323 0.4323 1.0353 1.0353 1.6110 1.6110 1.9111 1.9111 3.2566 3.2566 3.8386 3.8386 k = 0.1729 0.1034 0.1583 ( 4176 PWs) bands (ev): -70.8692 -70.8692 -42.8834 -42.8834 -41.9267 -41.9267 -41.7245 -41.7245 -12.2124 -12.2124 -11.0111 -11.0111 -3.0433 -3.0433 -2.4609 -2.4609 -1.8592 -1.8592 -0.7253 -0.7253 -0.1340 -0.1340 0.4458 0.4458 1.0233 1.0233 1.6250 1.6250 1.9202 1.9202 3.2184 3.2184 3.8267 3.8267 k = 0.1820 0.1088 0.1583 ( 4178 PWs) bands (ev): -70.8692 -70.8692 -42.8838 -42.8838 -41.9274 -41.9274 -41.7245 -41.7245 -12.1768 -12.1768 -10.9976 -10.9976 -3.0084 -3.0084 -2.5063 -2.5063 -1.8505 -1.8505 -0.8451 -0.8451 -0.1757 -0.1757 0.4546 0.4546 1.0111 1.0111 1.6363 1.6363 1.9278 1.9278 3.1864 3.1864 3.8162 3.8162 k = 0.1911 0.1143 0.1583 ( 4178 PWs) bands (ev): -70.8691 -70.8691 -42.8843 -42.8843 -41.9281 -41.9281 -41.7245 -41.7245 -12.1397 -12.1397 -10.9837 -10.9837 -2.9731 -2.9731 -2.5507 -2.5507 -1.8419 -1.8419 -0.9649 -0.9649 -0.2160 -0.2160 0.4579 0.4579 0.9985 0.9985 1.6447 1.6447 1.9341 1.9341 3.1609 3.1609 3.8070 3.8070 k = 0.2003 0.1197 0.1583 ( 4179 PWs) bands (ev): -70.8690 -70.8690 -42.8848 -42.8848 -41.9289 -41.9289 -41.7246 -41.7246 -12.1012 -12.1012 -10.9695 -10.9695 -2.9381 -2.9381 -2.5937 -2.5937 -1.8336 -1.8336 -1.0840 -1.0840 -0.2547 -0.2547 0.4557 0.4557 0.9858 0.9858 1.6504 1.6504 1.9390 1.9390 3.1425 3.1425 3.7992 3.7992 k = 0.2094 0.1252 0.1583 ( 4179 PWs) bands (ev): -70.8689 -70.8689 -42.8853 -42.8853 -41.9296 -41.9296 -41.7246 -41.7246 -12.0615 -12.0615 -10.9550 -10.9550 -2.9046 -2.9046 -2.6343 -2.6343 -1.8255 -1.8255 -1.2018 -1.2018 -0.2917 -0.2917 0.4474 0.4474 0.9730 0.9730 1.6535 1.6535 1.9426 1.9426 3.1312 3.1312 3.7928 3.7928 k = 0.2185 0.1306 0.1583 ( 4181 PWs) bands (ev): -70.8688 -70.8688 -42.8858 -42.8858 -41.9304 -41.9304 -41.7246 -41.7246 -12.0206 -12.0206 -10.9403 -10.9403 -2.8750 -2.8750 -2.6704 -2.6704 -1.8178 -1.8178 -1.3176 -1.3176 -0.3270 -0.3270 0.4330 0.4330 0.9603 0.9603 1.6539 1.6539 1.9450 1.9450 3.1271 3.1271 3.7879 3.7879 k = 0.2276 0.1361 0.1583 ( 4183 PWs) bands (ev): -70.8687 -70.8687 -42.8863 -42.8863 -41.9312 -41.9312 -41.7246 -41.7246 -11.9785 -11.9785 -10.9255 -10.9255 -2.8549 -2.8549 -2.6970 -2.6970 -1.8107 -1.8107 -1.4305 -1.4305 -0.3603 -0.3603 0.4125 0.4125 0.9478 0.9478 1.6519 1.6519 1.9464 1.9464 3.1299 3.1299 3.7844 3.7844 k = 0.2367 0.1415 0.1583 ( 4183 PWs) bands (ev): -70.8686 -70.8686 -42.8868 -42.8868 -41.9319 -41.9319 -41.7246 -41.7246 -11.9354 -11.9354 -10.9105 -10.9105 -2.8534 -2.8534 -2.7056 -2.7056 -1.8040 -1.8040 -1.5397 -1.5397 -0.3918 -0.3918 0.3860 0.3860 0.9357 0.9357 1.6475 1.6475 1.9467 1.9467 3.1394 3.1394 3.7822 3.7822 k = 0.2458 0.1469 0.1583 ( 4184 PWs) bands (ev): -70.8685 -70.8685 -42.8873 -42.8873 -41.9327 -41.9327 -41.7246 -41.7246 -11.8914 -11.8914 -10.8955 -10.8955 -2.8731 -2.8731 -2.6948 -2.6948 -1.7980 -1.7980 -1.6438 -1.6438 -0.4211 -0.4211 0.3538 0.3538 0.9240 0.9240 1.6409 1.6409 1.9462 1.9462 3.1550 3.1550 3.7814 3.7814 k = 0.2549 0.1524 0.1583 ( 4183 PWs) bands (ev): -70.8684 -70.8684 -42.8878 -42.8878 -41.9335 -41.9335 -41.7246 -41.7246 -11.8465 -11.8465 -10.8805 -10.8805 -2.9056 -2.9056 -2.6744 -2.6744 -1.7930 -1.7930 -1.7408 -1.7408 -0.4484 -0.4484 0.3164 0.3164 0.9129 0.9129 1.6323 1.6323 1.9449 1.9449 3.1763 3.1763 3.7817 3.7817 k = 0.2640 0.1578 0.1583 ( 4180 PWs) bands (ev): -70.8683 -70.8683 -42.8883 -42.8883 -41.9343 -41.9343 -41.7246 -41.7246 -11.8008 -11.8008 -10.8656 -10.8656 -2.9441 -2.9441 -2.6531 -2.6531 -1.8306 -1.8306 -1.7873 -1.7873 -0.4736 -0.4736 0.2744 0.2744 0.9024 0.9024 1.6219 1.6219 1.9429 1.9429 3.2026 3.2026 3.7832 3.7832 k = 0.2731 0.1633 0.1583 ( 4179 PWs) bands (ev): -70.8682 -70.8682 -42.8888 -42.8888 -41.9350 -41.9350 -41.7246 -41.7246 -11.7546 -11.7546 -10.8509 -10.8509 -2.9859 -2.9859 -2.6362 -2.6362 -1.9070 -1.9070 -1.7839 -1.7839 -0.4966 -0.4966 0.2284 0.2284 0.8924 0.8924 1.6098 1.6098 1.9401 1.9401 3.2333 3.2333 3.7856 3.7856 k = 0.2822 0.1687 0.1583 ( 4183 PWs) bands (ev): -70.8682 -70.8682 -42.8893 -42.8893 -41.9358 -41.9358 -41.7246 -41.7246 -11.7078 -11.7078 -10.8364 -10.8364 -3.0303 -3.0303 -2.6277 -2.6277 -1.9690 -1.9690 -1.7811 -1.7811 -0.5174 -0.5174 0.1791 0.1791 0.8830 0.8830 1.5963 1.5963 1.9366 1.9366 3.2678 3.2678 3.7890 3.7890 k = 0.2913 0.1742 0.1583 ( 4181 PWs) bands (ev): -70.8681 -70.8681 -42.8898 -42.8898 -41.9366 -41.9366 -41.7246 -41.7246 -11.6606 -11.6606 -10.8222 -10.8222 -3.0772 -3.0772 -2.6306 -2.6306 -2.0130 -2.0130 -1.7791 -1.7791 -0.5360 -0.5360 0.1274 0.1274 0.8740 0.8740 1.5816 1.5816 1.9324 1.9324 3.3054 3.3054 3.7930 3.7930 k = 0.3004 0.1796 0.1583 ( 4181 PWs) bands (ev): -70.8680 -70.8680 -42.8903 -42.8903 -41.9373 -41.9373 -41.7246 -41.7246 -11.6131 -11.6131 -10.8083 -10.8083 -3.1268 -3.1268 -2.6459 -2.6459 -2.0378 -2.0378 -1.7779 -1.7779 -0.5525 -0.5525 0.0739 0.0739 0.8655 0.8655 1.5658 1.5658 1.9274 1.9274 3.3456 3.3456 3.7977 3.7977 k = 0.3095 0.1850 0.1583 ( 4182 PWs) bands (ev): -70.8679 -70.8679 -42.8908 -42.8908 -41.9380 -41.9380 -41.7247 -41.7247 -11.5655 -11.5655 -10.7949 -10.7949 -3.1795 -3.1795 -2.6720 -2.6720 -2.0447 -2.0447 -1.7776 -1.7776 -0.5669 -0.5669 0.0194 0.0194 0.8573 0.8573 1.5492 1.5492 1.9216 1.9216 3.3877 3.3877 3.8030 3.8030 k = 0.3186 0.1905 0.1583 ( 4178 PWs) bands (ev): -70.8678 -70.8678 -42.8913 -42.8913 -41.9387 -41.9387 -41.7247 -41.7247 -11.5179 -11.5179 -10.7821 -10.7821 -3.2354 -3.2354 -2.7053 -2.7053 -2.0370 -2.0370 -1.7781 -1.7781 -0.5792 -0.5792 -0.0354 -0.0354 0.8493 0.8493 1.5320 1.5320 1.9150 1.9150 3.4313 3.4313 3.8086 3.8086 k = 0.3277 0.1959 0.1583 ( 4176 PWs) bands (ev): -70.8677 -70.8677 -42.8917 -42.8917 -41.9394 -41.9394 -41.7247 -41.7247 -11.4704 -11.4704 -10.7698 -10.7698 -3.2946 -3.2946 -2.7417 -2.7417 -2.0190 -2.0190 -1.7794 -1.7794 -0.5897 -0.5897 -0.0899 -0.0899 0.8417 0.8417 1.5144 1.5144 1.9077 1.9077 3.4757 3.4757 3.8146 3.8146 k = 0.3368 0.2014 0.1583 ( 4178 PWs) bands (ev): -70.8676 -70.8676 -42.8922 -42.8922 -41.9401 -41.9401 -41.7247 -41.7247 -11.4232 -11.4232 -10.7583 -10.7583 -3.3566 -3.3566 -2.7780 -2.7780 -1.9942 -1.9942 -1.7814 -1.7814 -0.5983 -0.5983 -0.1433 -0.1433 0.8342 0.8342 1.4965 1.4965 1.8995 1.8995 3.5205 3.5205 3.8207 3.8207 k = 0.3459 0.2068 0.1583 ( 4181 PWs) bands (ev): -70.8675 -70.8675 -42.8926 -42.8926 -41.9408 -41.9408 -41.7247 -41.7247 -11.3764 -11.3764 -10.7476 -10.7476 -3.4210 -3.4210 -2.8123 -2.8123 -1.9654 -1.9654 -1.7840 -1.7840 -0.6053 -0.6053 -0.1951 -0.1951 0.8270 0.8270 1.4784 1.4784 1.8906 1.8906 3.5653 3.5653 3.8270 3.8270 k = 0.3550 0.2122 0.1583 ( 4183 PWs) bands (ev): -70.8675 -70.8675 -42.8930 -42.8930 -41.9414 -41.9414 -41.7247 -41.7247 -11.3302 -11.3302 -10.7377 -10.7377 -3.4868 -3.4868 -2.8434 -2.8434 -1.9346 -1.9346 -1.7872 -1.7872 -0.6108 -0.6108 -0.2447 -0.2447 0.8199 0.8199 1.4605 1.4605 1.8810 1.8810 3.6096 3.6096 3.8333 3.8333 k = 0.3641 0.2177 0.1583 ( 4180 PWs) bands (ev): -70.8674 -70.8674 -42.8934 -42.8934 -41.9420 -41.9420 -41.7247 -41.7247 -11.2848 -11.2848 -10.7288 -10.7288 -3.5532 -3.5532 -2.8710 -2.8710 -1.9033 -1.9033 -1.7908 -1.7908 -0.6150 -0.6150 -0.2915 -0.2915 0.8130 0.8130 1.4428 1.4428 1.8707 1.8707 3.6529 3.6529 3.8395 3.8395 k = 0.3732 0.2231 0.1583 ( 4182 PWs) bands (ev): -70.8673 -70.8673 -42.8938 -42.8938 -41.9426 -41.9426 -41.7247 -41.7247 -11.2403 -11.2403 -10.7209 -10.7209 -3.6193 -3.6193 -2.8950 -2.8950 -1.8727 -1.8727 -1.7945 -1.7945 -0.6180 -0.6180 -0.3350 -0.3350 0.8062 0.8062 1.4255 1.4255 1.8599 1.8599 3.6951 3.6951 3.8456 3.8456 k = 0.3823 0.2286 0.1583 ( 4179 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9431 -41.9431 -41.7247 -41.7247 -11.1968 -11.1968 -10.7142 -10.7142 -3.6840 -3.6840 -2.9157 -2.9157 -1.8440 -1.8440 -1.7981 -1.7981 -0.6200 -0.6200 -0.3747 -0.3747 0.7996 0.7996 1.4087 1.4087 1.8486 1.8486 3.7356 3.7356 3.8515 3.8515 k = 0.3914 0.2340 0.1583 ( 4177 PWs) bands (ev): -70.8672 -70.8672 -42.8945 -42.8945 -41.9436 -41.9436 -41.7247 -41.7247 -11.1546 -11.1546 -10.7087 -10.7087 -3.7467 -3.7467 -2.9334 -2.9334 -1.8199 -1.8199 -1.7993 -1.7993 -0.6213 -0.6213 -0.4102 -0.4102 0.7931 0.7931 1.3926 1.3926 1.8370 1.8370 3.7741 3.7741 3.8572 3.8572 k = 0.4005 0.2395 0.1583 ( 4178 PWs) bands (ev): -70.8671 -70.8671 -42.8948 -42.8948 -41.9441 -41.9441 -41.7247 -41.7247 -11.1138 -11.1138 -10.7045 -10.7045 -3.8066 -3.8066 -2.9483 -2.9483 -1.8125 -1.8125 -1.7865 -1.7865 -0.6220 -0.6220 -0.4413 -0.4413 0.7868 0.7868 1.3773 1.3773 1.8253 1.8253 3.8105 3.8105 3.8626 3.8626 k = 0.4096 0.2449 0.1583 ( 4177 PWs) bands (ev): -70.8671 -70.8671 -42.8951 -42.8951 -41.9445 -41.9445 -41.7247 -41.7247 -11.0746 -11.0746 -10.7017 -10.7017 -3.8631 -3.8631 -2.9607 -2.9607 -1.8152 -1.8152 -1.7665 -1.7665 -0.6223 -0.6223 -0.4678 -0.4678 0.7807 0.7807 1.3629 1.3629 1.8136 1.8136 3.8443 3.8443 3.8677 3.8677 k = 0.4187 0.2503 0.1583 ( 4175 PWs) bands (ev): -70.8670 -70.8670 -42.8953 -42.8953 -41.9449 -41.9449 -41.7247 -41.7247 -11.0370 -11.0370 -10.7004 -10.7004 -3.9156 -3.9156 -2.9710 -2.9710 -1.8190 -1.8190 -1.7484 -1.7484 -0.6225 -0.6225 -0.4897 -0.4897 0.7749 0.7749 1.3496 1.3496 1.8022 1.8022 3.8711 3.8711 3.8767 3.8767 k = 0.4278 0.2558 0.1583 ( 4179 PWs) bands (ev): -70.8670 -70.8670 -42.8956 -42.8956 -41.9452 -41.9452 -41.7247 -41.7247 -11.0014 -11.0014 -10.7007 -10.7007 -3.9638 -3.9638 -2.9794 -2.9794 -1.8229 -1.8229 -1.7330 -1.7330 -0.6226 -0.6226 -0.5071 -0.5071 0.7694 0.7694 1.3373 1.3373 1.7912 1.7912 3.8762 3.8762 3.9042 3.9042 k = 0.4369 0.2612 0.1583 ( 4175 PWs) bands (ev): -70.8670 -70.8670 -42.8958 -42.8958 -41.9456 -41.9456 -41.7247 -41.7247 -10.9677 -10.9677 -10.7025 -10.7025 -4.0071 -4.0071 -2.9863 -2.9863 -1.8266 -1.8266 -1.7206 -1.7206 -0.6228 -0.6228 -0.5203 -0.5203 0.7643 0.7643 1.3264 1.3264 1.7809 1.7809 3.8801 3.8801 3.9294 3.9294 k = 0.4460 0.2667 0.1583 ( 4171 PWs) bands (ev): -70.8669 -70.8669 -42.8960 -42.8960 -41.9458 -41.9458 -41.7247 -41.7247 -10.9363 -10.9363 -10.7060 -10.7060 -4.0453 -4.0453 -2.9917 -2.9917 -1.8300 -1.8300 -1.7109 -1.7109 -0.6229 -0.6229 -0.5300 -0.5300 0.7596 0.7596 1.3167 1.3167 1.7714 1.7714 3.8834 3.8834 3.9515 3.9515 k = 0.4551 0.2721 0.1583 ( 4169 PWs) bands (ev): -70.8669 -70.8669 -42.8961 -42.8961 -41.9461 -41.9461 -41.7247 -41.7247 -10.9074 -10.9074 -10.7110 -10.7110 -4.0780 -4.0780 -2.9959 -2.9959 -1.8330 -1.8330 -1.7036 -1.7036 -0.6231 -0.6231 -0.5367 -0.5367 0.7554 0.7554 1.3084 1.3084 1.7630 1.7630 3.8863 3.8863 3.9703 3.9703 k = 0.4642 0.2776 0.1583 ( 4167 PWs) bands (ev): -70.8669 -70.8669 -42.8963 -42.8963 -41.9462 -41.9462 -41.7247 -41.7247 -10.8811 -10.8811 -10.7176 -10.7176 -4.1050 -4.1050 -2.9990 -2.9990 -1.8355 -1.8355 -1.6983 -1.6983 -0.6232 -0.6232 -0.5411 -0.5411 0.7519 0.7519 1.3015 1.3015 1.7559 1.7559 3.8886 3.8886 3.9858 3.9858 k = 0.4733 0.2830 0.1583 ( 4163 PWs) bands (ev): -70.8668 -70.8668 -42.8963 -42.8963 -41.9464 -41.9464 -41.7246 -41.7246 -10.8581 -10.8581 -10.7252 -10.7252 -4.1261 -4.1261 -3.0014 -3.0014 -1.8375 -1.8375 -1.6947 -1.6947 -0.6233 -0.6233 -0.5438 -0.5438 0.7491 0.7491 1.2962 1.2962 1.7501 1.7501 3.8904 3.8904 3.9978 3.9978 k = 0.4824 0.2884 0.1583 ( 4161 PWs) bands (ev): -70.8668 -70.8668 -42.8964 -42.8964 -41.9465 -41.9465 -41.7246 -41.7246 -10.8392 -10.8392 -10.7331 -10.7331 -4.1411 -4.1411 -3.0029 -3.0029 -1.8390 -1.8390 -1.6925 -1.6925 -0.6233 -0.6233 -0.5454 -0.5454 0.7470 0.7470 1.2923 1.2923 1.7460 1.7460 3.8917 3.8917 4.0063 4.0063 k = 0.4915 0.2939 0.1583 ( 4167 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7246 -41.7246 -10.8262 -10.8262 -10.7396 -10.7396 -4.1501 -4.1501 -3.0038 -3.0038 -1.8398 -1.8398 -1.6912 -1.6912 -0.6233 -0.6233 -0.5462 -0.5462 0.7457 0.7457 1.2900 1.2900 1.7435 1.7435 3.8925 3.8925 4.0113 4.0113 k = 0.5000 0.2989-0.0565 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8965 -42.8965 -41.9466 -41.9466 -41.7248 -41.7248 -10.8218 -10.8218 -10.7420 -10.7420 -4.1528 -4.1528 -3.0040 -3.0040 -1.8401 -1.8401 -1.6908 -1.6908 -0.6233 -0.6233 -0.5466 -0.5466 0.7453 0.7453 1.2893 1.2893 1.7427 1.7427 3.8928 3.8928 4.0134 4.0134 k = 0.5053 0.2900-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9466 -41.9466 -41.7248 -41.7248 -10.8215 -10.8215 -10.7419 -10.7419 -4.1516 -4.1516 -3.0041 -3.0041 -1.8400 -1.8400 -1.6908 -1.6908 -0.6285 -0.6285 -0.5487 -0.5487 0.7494 0.7494 1.2900 1.2900 1.7425 1.7425 3.8891 3.8891 4.0127 4.0127 k = 0.5107 0.2811-0.0565 ( 4196 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9466 -41.9466 -41.7248 -41.7248 -10.8205 -10.8205 -10.7414 -10.7414 -4.1482 -4.1482 -3.0044 -3.0044 -1.8398 -1.8398 -1.6909 -1.6909 -0.6447 -0.6447 -0.5540 -0.5540 0.7612 0.7612 1.2921 1.2921 1.7419 1.7419 3.8781 3.8781 4.0106 4.0106 k = 0.5160 0.2722-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9467 -41.9467 -41.7248 -41.7248 -10.8189 -10.8189 -10.7406 -10.7406 -4.1423 -4.1423 -3.0049 -3.0049 -1.8395 -1.8395 -1.6912 -1.6912 -0.6727 -0.6727 -0.5606 -0.5606 0.7800 0.7800 1.2955 1.2955 1.7410 1.7410 3.8602 3.8602 4.0070 4.0070 k = 0.5213 0.2633-0.0565 ( 4192 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9467 -41.9467 -41.7248 -41.7248 -10.8167 -10.8167 -10.7395 -10.7395 -4.1342 -4.1342 -3.0055 -3.0055 -1.8389 -1.8389 -1.6918 -1.6918 -0.7121 -0.7121 -0.5676 -0.5676 0.8046 0.8046 1.3003 1.3003 1.7397 1.7397 3.8360 3.8360 4.0019 4.0019 k = 0.5266 0.2544-0.0565 ( 4200 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9467 -41.9467 -41.7248 -41.7248 -10.8139 -10.8139 -10.7381 -10.7381 -4.1238 -4.1238 -3.0064 -3.0064 -1.8381 -1.8381 -1.6930 -1.6930 -0.7613 -0.7613 -0.5750 -0.5750 0.8335 0.8335 1.3064 1.3064 1.7382 1.7382 3.8062 3.8062 3.9954 3.9954 k = 0.5320 0.2455-0.0565 ( 4200 PWs) bands (ev): -70.8668 -70.8668 -42.8966 -42.8966 -41.9468 -41.9468 -41.7248 -41.7248 -10.8106 -10.8106 -10.7363 -10.7363 -4.1111 -4.1111 -3.0074 -3.0074 -1.8369 -1.8369 -1.6952 -1.6952 -0.8181 -0.8181 -0.5831 -0.5831 0.8654 0.8654 1.3139 1.3139 1.7363 1.7363 3.7717 3.7717 3.9874 3.9874 k = 0.5373 0.2366-0.0565 ( 4202 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9468 -41.9468 -41.7248 -41.7248 -10.8067 -10.8067 -10.7343 -10.7343 -4.0961 -4.0961 -3.0087 -3.0087 -1.8352 -1.8352 -1.6987 -1.6987 -0.8803 -0.8803 -0.5923 -0.5923 0.8992 0.8992 1.3228 1.3228 1.7342 1.7342 3.7334 3.7334 3.9778 3.9778 k = 0.5426 0.2277-0.0565 ( 4198 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9469 -41.9469 -41.7248 -41.7248 -10.8023 -10.8023 -10.7321 -10.7321 -4.0788 -4.0788 -3.0103 -3.0103 -1.8331 -1.8331 -1.7044 -1.7044 -0.9459 -0.9459 -0.6028 -0.6028 0.9337 0.9337 1.3329 1.3329 1.7319 1.7319 3.6924 3.6924 3.9667 3.9667 k = 0.5479 0.2188-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9469 -41.9469 -41.7248 -41.7248 -10.7974 -10.7974 -10.7295 -10.7295 -4.0593 -4.0593 -3.0120 -3.0120 -1.8303 -1.8303 -1.7131 -1.7131 -1.0127 -1.0127 -0.6149 -0.6149 0.9681 0.9681 1.3444 1.3444 1.7294 1.7294 3.6495 3.6495 3.9541 3.9541 k = 0.5533 0.2099-0.0565 ( 4186 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9470 -41.9470 -41.7248 -41.7248 -10.7922 -10.7922 -10.7267 -10.7267 -4.0376 -4.0376 -3.0141 -3.0141 -1.8269 -1.8269 -1.7262 -1.7262 -1.0783 -1.0783 -0.6285 -0.6285 1.0017 1.0017 1.3570 1.3570 1.7268 1.7268 3.6057 3.6057 3.9399 3.9399 k = 0.5586 0.2010-0.0565 ( 4188 PWs) bands (ev): -70.8668 -70.8668 -42.8967 -42.8967 -41.9470 -41.9470 -41.7249 -41.7249 -10.7866 -10.7866 -10.7237 -10.7237 -4.0137 -4.0137 -3.0164 -3.0164 -1.8227 -1.8227 -1.7451 -1.7451 -1.1404 -1.1404 -0.6439 -0.6439 1.0339 1.0339 1.3707 1.3707 1.7242 1.7242 3.5617 3.5617 3.9242 3.9242 k = 0.5639 0.1920-0.0565 ( 4190 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9471 -41.9471 -41.7249 -41.7249 -10.7807 -10.7807 -10.7205 -10.7205 -3.9876 -3.9876 -3.0189 -3.0189 -1.8183 -1.8183 -1.7711 -1.7711 -1.1964 -1.1964 -0.6612 -0.6612 1.0643 1.0643 1.3855 1.3855 1.7216 1.7216 3.5185 3.5185 3.9068 3.9068 k = 0.5692 0.1831-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9472 -41.9472 -41.7249 -41.7249 -10.7746 -10.7746 -10.7171 -10.7171 -3.9593 -3.9593 -3.0217 -3.0217 -1.8197 -1.8197 -1.7996 -1.7996 -1.2442 -1.2442 -0.6803 -0.6803 1.0925 1.0925 1.4013 1.4013 1.7191 1.7191 3.4766 3.4766 3.8879 3.8879 k = 0.5746 0.1742-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9473 -41.9473 -41.7249 -41.7249 -10.7684 -10.7684 -10.7135 -10.7135 -3.9290 -3.9290 -3.0248 -3.0248 -1.8580 -1.8580 -1.8002 -1.8002 -1.2823 -1.2823 -0.7013 -0.7013 1.1184 1.1184 1.4178 1.4178 1.7167 1.7167 3.4367 3.4367 3.8675 3.8675 k = 0.5799 0.1653-0.0565 ( 4200 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9474 -41.9474 -41.7249 -41.7249 -10.7621 -10.7621 -10.7099 -10.7099 -3.8965 -3.8965 -3.0281 -3.0281 -1.9132 -1.9132 -1.7924 -1.7924 -1.3107 -1.3107 -0.7241 -0.7241 1.1417 1.1417 1.4350 1.4350 1.7145 1.7145 3.3995 3.3995 3.8456 3.8456 k = 0.5852 0.1564-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9474 -41.9474 -41.7250 -41.7250 -10.7558 -10.7558 -10.7060 -10.7060 -3.8621 -3.8621 -3.0316 -3.0316 -1.9775 -1.9775 -1.7827 -1.7827 -1.3304 -1.3304 -0.7488 -0.7488 1.1624 1.1624 1.4526 1.4526 1.7125 1.7125 3.3653 3.3653 3.8222 3.8222 k = 0.5905 0.1475-0.0565 ( 4188 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9475 -41.9475 -41.7250 -41.7250 -10.7497 -10.7497 -10.7021 -10.7021 -3.8256 -3.8256 -3.0353 -3.0353 -2.0484 -2.0484 -1.7715 -1.7715 -1.3430 -1.3430 -0.7750 -0.7750 1.1804 1.1804 1.4706 1.4706 1.7108 1.7108 3.3347 3.3347 3.7975 3.7975 k = 0.5959 0.1386-0.0565 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9475 -41.9475 -41.7250 -41.7250 -10.7437 -10.7437 -10.6982 -10.6982 -3.7872 -3.7872 -3.0392 -3.0392 -2.1239 -2.1239 -1.7589 -1.7589 -1.3500 -1.3500 -0.8029 -0.8029 1.1958 1.1958 1.4887 1.4887 1.7093 1.7093 3.3078 3.3078 3.7715 3.7715 k = 0.6012 0.1297-0.0565 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9476 -41.9476 -41.7250 -41.7250 -10.7380 -10.7380 -10.6942 -10.6942 -3.7469 -3.7469 -3.0433 -3.0433 -2.2022 -2.2022 -1.7450 -1.7450 -1.3529 -1.3529 -0.8320 -0.8320 1.2085 1.2085 1.5068 1.5068 1.7079 1.7079 3.2851 3.2851 3.7442 3.7442 k = 0.6065 0.1208-0.0565 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9477 -41.9477 -41.7250 -41.7250 -10.7327 -10.7327 -10.6903 -10.6903 -3.7048 -3.7048 -3.0474 -3.0474 -2.2820 -2.2820 -1.7297 -1.7297 -1.3529 -1.3529 -0.8623 -0.8623 1.2188 1.2188 1.5245 1.5245 1.7066 1.7066 3.2666 3.2666 3.7159 3.7159 k = 0.6119 0.1119-0.0565 ( 4182 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9477 -41.9477 -41.7250 -41.7250 -10.7279 -10.7279 -10.6863 -10.6863 -3.6609 -3.6609 -3.0517 -3.0517 -2.3621 -2.3621 -1.7131 -1.7131 -1.3508 -1.3508 -0.8935 -0.8935 1.2269 1.2269 1.5418 1.5418 1.7052 1.7052 3.2527 3.2527 3.6866 3.6866 k = 0.6172 0.1030-0.0565 ( 4184 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7250 -41.7250 -10.7238 -10.7238 -10.6825 -10.6825 -3.6152 -3.6152 -3.0559 -3.0559 -2.4417 -2.4417 -1.6954 -1.6954 -1.3474 -1.3474 -0.9252 -0.9252 1.2329 1.2329 1.5585 1.5585 1.7037 1.7037 3.2433 3.2433 3.6565 3.6565 k = 0.6225 0.0940-0.0565 ( 4190 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7251 -41.7251 -10.7203 -10.7203 -10.6787 -10.6787 -3.5679 -3.5679 -3.0602 -3.0602 -2.5200 -2.5200 -1.6765 -1.6765 -1.3431 -1.3431 -0.9571 -0.9571 1.2370 1.2370 1.5743 1.5743 1.7018 1.7018 3.2384 3.2384 3.6257 3.6257 k = 0.6278 0.0851-0.0565 ( 4186 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7251 -41.7251 -10.7177 -10.7177 -10.6751 -10.6751 -3.5190 -3.5190 -3.0644 -3.0644 -2.5965 -2.5965 -1.6567 -1.6567 -1.3384 -1.3384 -0.9888 -0.9888 1.2396 1.2396 1.5892 1.5892 1.6995 1.6995 3.2380 3.2380 3.5945 3.5945 k = 0.6332 0.0762-0.0565 ( 4194 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7160 -10.7160 -10.6717 -10.6717 -3.4686 -3.4686 -3.0686 -3.0686 -2.6706 -2.6706 -1.6362 -1.6362 -1.3338 -1.3338 -1.0198 -1.0198 1.2410 1.2410 1.6029 1.6029 1.6967 1.6967 3.2419 3.2419 3.5630 3.5630 k = 0.6385 0.0673-0.0565 ( 4196 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7251 -41.7251 -10.7154 -10.7154 -10.6684 -10.6684 -3.4168 -3.4168 -3.0726 -3.0726 -2.7418 -2.7418 -1.6154 -1.6154 -1.3295 -1.3295 -1.0496 -1.0496 1.2414 1.2414 1.6153 1.6153 1.6933 1.6933 3.2500 3.2500 3.5314 3.5314 k = 0.6438 0.0584-0.0565 ( 4191 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9479 -41.9479 -41.7252 -41.7252 -10.7159 -10.7159 -10.6654 -10.6654 -3.3637 -3.3637 -3.0765 -3.0765 -2.8100 -2.8100 -1.5945 -1.5945 -1.3258 -1.3258 -1.0775 -1.0775 1.2411 1.2411 1.6260 1.6260 1.6896 1.6896 3.2621 3.2621 3.4999 3.4999 k = 0.6491 0.0495-0.0565 ( 4193 PWs) bands (ev): -70.8668 -70.8668 -42.8971 -42.8971 -41.9478 -41.9478 -41.7252 -41.7252 -10.7178 -10.7178 -10.6627 -10.6627 -3.3094 -3.3094 -3.0802 -3.0802 -2.8745 -2.8745 -1.5743 -1.5743 -1.3231 -1.3231 -1.1026 -1.1026 1.2405 1.2405 1.6343 1.6343 1.6861 1.6861 3.2777 3.2777 3.4686 3.4686 k = 0.6545 0.0406-0.0565 ( 4183 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9478 -41.9478 -41.7252 -41.7252 -10.7210 -10.7210 -10.6603 -10.6603 -3.2542 -3.2542 -3.0838 -3.0838 -2.9351 -2.9351 -1.5555 -1.5555 -1.3214 -1.3214 -1.1240 -1.1240 1.2398 1.2398 1.6388 1.6388 1.6839 1.6839 3.2967 3.2967 3.4379 3.4379 k = 0.6598 0.0317-0.0565 ( 4185 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9478 -41.9478 -41.7252 -41.7252 -10.7257 -10.7257 -10.6582 -10.6582 -3.1985 -3.1985 -3.0871 -3.0871 -2.9910 -2.9910 -1.5389 -1.5389 -1.3211 -1.3211 -1.1406 -1.1406 1.2393 1.2393 1.6379 1.6379 1.6847 1.6847 3.3186 3.3186 3.4078 3.4078 k = 0.3402-0.5690-0.0000 ( 4185 PWs) bands (ev): -70.8668 -70.8668 -42.8970 -42.8970 -41.9478 -41.9478 -41.7252 -41.7252 -10.7257 -10.7257 -10.6582 -10.6582 -3.1985 -3.1985 -3.0871 -3.0871 -2.9910 -2.9910 -1.5389 -1.5389 -1.3211 -1.3211 -1.1406 -1.1406 1.2393 1.2393 1.6379 1.6379 1.6847 1.6847 3.3186 3.3186 3.4078 3.4078 k = 0.3347-0.5598-0.0000 ( 4187 PWs) bands (ev): -70.8668 -70.8668 -42.8969 -42.8969 -41.9477 -41.9477 -41.7252 -41.7252 -10.7321 -10.7321 -10.6565 -10.6565 -3.1426 -3.1426 -3.0906 -3.0906 -3.0414 -3.0414 -1.5253 -1.5253 -1.3225 -1.3225 -1.1511 -1.1511 1.2391 1.2391 1.6314 1.6314 1.6885 1.6885 3.3437 3.3437 3.3778 3.3778 k = 0.3292-0.5507-0.0000 ( 4185 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9476 -41.9476 -41.7252 -41.7252 -10.7404 -10.7404 -10.6551 -10.6551 -3.1152 -3.1152 -3.0939 -3.0939 -3.0576 -3.0576 -1.5163 -1.5163 -1.3258 -1.3258 -1.1539 -1.1539 1.2397 1.2397 1.6205 1.6205 1.6941 1.6941 3.3486 3.3486 3.3713 3.3713 k = 0.3237-0.5415-0.0000 ( 4183 PWs) bands (ev): -70.8668 -70.8668 -42.8968 -42.8968 -41.9475 -41.9475 -41.7252 -41.7252 -10.7505 -10.7505 -10.6542 -10.6542 -3.1488 -3.1488 -3.0955 -3.0955 -3.0084 -3.0084 -1.5121 -1.5121 -1.3312 -1.3312 -1.1482 -1.1482 1.2412 1.2412 1.6065 1.6065 1.7003 1.7003 3.3209 3.3209 3.4004 3.4004 k = 0.3183-0.5323-0.0000 ( 4177 PWs) bands (ev): -70.8669 -70.8669 -42.8966 -42.8966 -41.9473 -41.9473 -41.7252 -41.7252 -10.7625 -10.7625 -10.6538 -10.6538 -3.1866 -3.1866 -3.0976 -3.0976 -2.9485 -2.9485 -1.5127 -1.5127 -1.3389 -1.3389 -1.1342 -1.1342 1.2439 1.2439 1.5900 1.5900 1.7066 1.7066 3.2946 3.2946 3.4308 3.4308 k = 0.3128-0.5231-0.0000 ( 4173 PWs) bands (ev): -70.8669 -70.8669 -42.8965 -42.8965 -41.9471 -41.9471 -41.7252 -41.7252 -10.7766 -10.7766 -10.6540 -10.6540 -3.2204 -3.2204 -3.0995 -3.0995 -2.8868 -2.8868 -1.5168 -1.5168 -1.3489 -1.3489 -1.1127 -1.1127 1.2480 1.2480 1.5714 1.5714 1.7126 1.7126 3.2697 3.2697 3.4621 3.4621 k = 0.3073-0.5139-0.0000 ( 4171 PWs) bands (ev): -70.8669 -70.8669 -42.8964 -42.8964 -41.9470 -41.9470 -41.7252 -41.7252 -10.7926 -10.7926 -10.6546 -10.6546 -3.2494 -3.2494 -3.1010 -3.1010 -2.8243 -2.8243 -1.5232 -1.5232 -1.3614 -1.3614 -1.0849 -1.0849 1.2535 1.2535 1.5508 1.5508 1.7184 1.7184 3.2463 3.2463 3.4936 3.4936 k = 0.3018-0.5048-0.0000 ( 4179 PWs) bands (ev): -70.8669 -70.8669 -42.8963 -42.8963 -41.9468 -41.9468 -41.7252 -41.7252 -10.8108 -10.8108 -10.6558 -10.6558 -3.2731 -3.2731 -3.1022 -3.1022 -2.7614 -2.7614 -1.5305 -1.5305 -1.3765 -1.3765 -1.0520 -1.0520 1.2607 1.2607 1.5286 1.5286 1.7239 1.7239 3.2246 3.2246 3.5249 3.5249 k = 0.2963-0.4956-0.0000 ( 4177 PWs) bands (ev): -70.8670 -70.8670 -42.8961 -42.8961 -41.9465 -41.9465 -41.7252 -41.7252 -10.8310 -10.8310 -10.6576 -10.6576 -3.2914 -3.2914 -3.1030 -3.1030 -2.6984 -2.6984 -1.5377 -1.5377 -1.3942 -1.3942 -1.0150 -1.0150 1.2696 1.2696 1.5050 1.5050 1.7290 1.7290 3.2045 3.2045 3.5556 3.5556 k = 0.2908-0.4864-0.0000 ( 4173 PWs) bands (ev): -70.8670 -70.8670 -42.8959 -42.8959 -41.9463 -41.9463 -41.7252 -41.7252 -10.8533 -10.8533 -10.6600 -10.6600 -3.3043 -3.3043 -3.1034 -3.1034 -2.6354 -2.6354 -1.5439 -1.5439 -1.4145 -1.4145 -0.9745 -0.9745 1.2802 1.2802 1.4801 1.4801 1.7339 1.7339 3.1860 3.1860 3.5852 3.5852 k = 0.2853-0.4772-0.0000 ( 4177 PWs) bands (ev): -70.8670 -70.8670 -42.8958 -42.8958 -41.9460 -41.9460 -41.7252 -41.7252 -10.8777 -10.8777 -10.6631 -10.6631 -3.3118 -3.3118 -3.1034 -3.1034 -2.5727 -2.5727 -1.5484 -1.5484 -1.4374 -1.4374 -0.9313 -0.9313 1.2924 1.2924 1.4545 1.4545 1.7384 1.7384 3.1692 3.1692 3.6133 3.6133 k = 0.2798-0.4681-0.0000 ( 4169 PWs) bands (ev): -70.8671 -70.8671 -42.8955 -42.8955 -41.9457 -41.9457 -41.7252 -41.7252 -10.9041 -10.9041 -10.6667 -10.6667 -3.3137 -3.3137 -3.1028 -3.1028 -2.5104 -2.5104 -1.5508 -1.5508 -1.4628 -1.4628 -0.8858 -0.8858 1.3061 1.3061 1.4285 1.4285 1.7427 1.7427 3.1539 3.1539 3.6395 3.6395 k = 0.2744-0.4589-0.0000 ( 4165 PWs) bands (ev): -70.8671 -70.8671 -42.8953 -42.8953 -41.9453 -41.9453 -41.7252 -41.7252 -10.9326 -10.9326 -10.6710 -10.6710 -3.3103 -3.3103 -3.1018 -3.1018 -2.4488 -2.4488 -1.5506 -1.5506 -1.4907 -1.4907 -0.8382 -0.8382 1.3202 1.3202 1.4035 1.4035 1.7466 1.7466 3.1403 3.1403 3.6632 3.6632 k = 0.2689-0.4497-0.0000 ( 4167 PWs) bands (ev): -70.8672 -70.8672 -42.8951 -42.8951 -41.9449 -41.9449 -41.7252 -41.7252 -10.9630 -10.9630 -10.6759 -10.6759 -3.3014 -3.3014 -3.1002 -3.1002 -2.3880 -2.3880 -1.5479 -1.5479 -1.5207 -1.5207 -0.7889 -0.7889 1.3308 1.3308 1.3835 1.3835 1.7501 1.7501 3.1281 3.1281 3.6843 3.6843 k = 0.2634-0.4405-0.0000 ( 4163 PWs) bands (ev): -70.8672 -70.8672 -42.8948 -42.8948 -41.9445 -41.9445 -41.7251 -41.7251 -10.9952 -10.9952 -10.6815 -10.6815 -3.2874 -3.2874 -3.0980 -3.0980 -2.3283 -2.3283 -1.5551 -1.5551 -1.5401 -1.5401 -0.7381 -0.7381 1.3252 1.3252 1.3814 1.3814 1.7533 1.7533 3.1174 3.1174 3.7024 3.7024 k = 0.2579-0.4314-0.0000 ( 4161 PWs) bands (ev): -70.8673 -70.8673 -42.8945 -42.8945 -41.9441 -41.9441 -41.7251 -41.7251 -11.0293 -11.0293 -10.6878 -10.6878 -3.2681 -3.2681 -3.0951 -3.0951 -2.2699 -2.2699 -1.5888 -1.5888 -1.5319 -1.5319 -0.6859 -0.6859 1.3041 1.3041 1.3968 1.3968 1.7562 1.7562 3.1082 3.1082 3.7171 3.7171 k = 0.2524-0.4222-0.0000 ( 4163 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9437 -41.9437 -41.7251 -41.7251 -11.0651 -11.0651 -10.6946 -10.6946 -3.2439 -3.2439 -3.0915 -3.0915 -2.2131 -2.2131 -1.6250 -1.6250 -1.5198 -1.5198 -0.6326 -0.6326 1.2787 1.2787 1.4183 1.4183 1.7586 1.7586 3.1004 3.1004 3.7284 3.7284 k = 0.2469-0.4130-0.0000 ( 4165 PWs) bands (ev): -70.8674 -70.8674 -42.8939 -42.8939 -41.9432 -41.9432 -41.7251 -41.7251 -11.1024 -11.1024 -10.7021 -10.7021 -3.2149 -3.2149 -3.0870 -3.0870 -2.1580 -2.1580 -1.6628 -1.6628 -1.5044 -1.5044 -0.5782 -0.5782 1.2526 1.2526 1.4428 1.4428 1.7606 1.7606 3.0939 3.0939 3.7360 3.7360 k = 0.2414-0.4038-0.0000 ( 4163 PWs) bands (ev): -70.8674 -70.8674 -42.8936 -42.8936 -41.9427 -41.9427 -41.7251 -41.7251 -11.1413 -11.1413 -10.7102 -10.7102 -3.1813 -3.1813 -3.0816 -3.0816 -2.1050 -2.1050 -1.7016 -1.7016 -1.4857 -1.4857 -0.5230 -0.5230 1.2268 1.2268 1.4691 1.4691 1.7622 1.7622 3.0889 3.0889 3.7398 3.7398 k = 0.2360-0.3946-0.0000 ( 4161 PWs) bands (ev): -70.8675 -70.8675 -42.8933 -42.8933 -41.9422 -41.9422 -41.7251 -41.7251 -11.1815 -11.1815 -10.7189 -10.7189 -3.1435 -3.1435 -3.0751 -3.0751 -2.0546 -2.0546 -1.7410 -1.7410 -1.4639 -1.4639 -0.4671 -0.4671 1.2018 1.2018 1.4968 1.4968 1.7634 1.7634 3.0853 3.0853 3.7397 3.7397 k = 0.2305-0.3855-0.0000 ( 4157 PWs) bands (ev): -70.8676 -70.8676 -42.8929 -42.8929 -41.9417 -41.9417 -41.7251 -41.7251 -11.2229 -11.2229 -10.7282 -10.7282 -3.1018 -3.1018 -3.0675 -3.0675 -2.0076 -2.0076 -1.7798 -1.7798 -1.4390 -1.4390 -0.4106 -0.4106 1.1778 1.1778 1.5257 1.5257 1.7640 1.7640 3.0832 3.0832 3.7358 3.7358 k = 0.2250-0.3763-0.0000 ( 4161 PWs) bands (ev): -70.8676 -70.8676 -42.8926 -42.8926 -41.9411 -41.9411 -41.7251 -41.7251 -11.2654 -11.2654 -10.7381 -10.7381 -3.0617 -3.0617 -3.0537 -3.0537 -1.9665 -1.9665 -1.8153 -1.8153 -1.4110 -1.4110 -0.3537 -0.3537 1.1551 1.1551 1.5554 1.5554 1.7643 1.7643 3.0825 3.0825 3.7281 3.7281 k = 0.2195-0.3671-0.0000 ( 4159 PWs) bands (ev): -70.8677 -70.8677 -42.8922 -42.8922 -41.9405 -41.9405 -41.7251 -41.7251 -11.3089 -11.3089 -10.7485 -10.7485 -3.0498 -3.0498 -3.0073 -3.0073 -1.9397 -1.9397 -1.8386 -1.8386 -1.3801 -1.3801 -0.2966 -0.2966 1.1337 1.1337 1.5857 1.5857 1.7641 1.7641 3.0835 3.0835 3.7168 3.7168 k = 0.2140-0.3579-0.0000 ( 4159 PWs) bands (ev): -70.8678 -70.8678 -42.8918 -42.8918 -41.9399 -41.9399 -41.7250 -41.7250 -11.3532 -11.3532 -10.7594 -10.7594 -3.0386 -3.0386 -2.9566 -2.9566 -1.9447 -1.9447 -1.8319 -1.8319 -1.3463 -1.3463 -0.2395 -0.2395 1.1140 1.1140 1.6162 1.6162 1.7637 1.7637 3.0861 3.0861 3.7021 3.7021 k = 0.2085-0.3488-0.0000 ( 4153 PWs) bands (ev): -70.8678 -70.8678 -42.8914 -42.8914 -41.9393 -41.9393 -41.7250 -41.7250 -11.3982 -11.3982 -10.7707 -10.7707 -3.0261 -3.0261 -2.9043 -2.9043 -1.9723 -1.9723 -1.8033 -1.8033 -1.3097 -1.3097 -0.1825 -0.1825 1.0958 1.0958 1.6465 1.6465 1.7631 1.7631 3.0905 3.0905 3.6842 3.6842 k = 0.2030-0.3396-0.0000 ( 4153 PWs) bands (ev): -70.8679 -70.8679 -42.8910 -42.8910 -41.9387 -41.9387 -41.7250 -41.7250 -11.4438 -11.4438 -10.7826 -10.7826 -3.0122 -3.0122 -2.8517 -2.8517 -2.0049 -2.0049 -1.7695 -1.7695 -1.2705 -1.2705 -0.1260 -0.1260 1.0794 1.0794 1.6760 1.6760 1.7627 1.7627 3.0967 3.0967 3.6633 3.6633 k = 0.1975-0.3304-0.0000 ( 4155 PWs) bands (ev): -70.8680 -70.8680 -42.8905 -42.8905 -41.9380 -41.9380 -41.7250 -41.7250 -11.4897 -11.4897 -10.7948 -10.7948 -2.9969 -2.9969 -2.8003 -2.8003 -2.0360 -2.0360 -1.7354 -1.7354 -1.2288 -1.2288 -0.0701 -0.0701 1.0647 1.0647 1.7033 1.7033 1.7637 1.7637 3.1051 3.1051 3.6399 3.6399 k = 0.1921-0.3212-0.0000 ( 4151 PWs) bands (ev): -70.8681 -70.8681 -42.8901 -42.8901 -41.9373 -41.9373 -41.7250 -41.7250 -11.5360 -11.5360 -10.8074 -10.8074 -2.9801 -2.9801 -2.7524 -2.7524 -2.0621 -2.0621 -1.7022 -1.7022 -1.1846 -1.1846 -0.0152 -0.0152 1.0518 1.0518 1.7250 1.7250 1.7692 1.7692 3.1156 3.1156 3.6143 3.6143 k = 0.1866-0.3120-0.0000 ( 4145 PWs) bands (ev): -70.8681 -70.8681 -42.8897 -42.8897 -41.9366 -41.9366 -41.7249 -41.7249 -11.5823 -11.5823 -10.8203 -10.8203 -2.9618 -2.9618 -2.7110 -2.7110 -2.0803 -2.0803 -1.6702 -1.6702 -1.1382 -1.1382 0.0384 0.0384 1.0406 1.0406 1.7360 1.7360 1.7842 1.7842 3.1285 3.1285 3.5870 3.5870 k = 0.1811-0.3029-0.0000 ( 4133 PWs) bands (ev): -70.8682 -70.8682 -42.8892 -42.8892 -41.9359 -41.9359 -41.7249 -41.7249 -11.6287 -11.6287 -10.8334 -10.8334 -2.9420 -2.9420 -2.6792 -2.6792 -2.0873 -2.0873 -1.6390 -1.6390 -1.0897 -1.0897 0.0903 0.0903 1.0312 1.0312 1.7386 1.7386 1.8061 1.8061 3.1438 3.1438 3.5584 3.5584 k = 0.1756-0.2937-0.0000 ( 4129 PWs) bands (ev): -70.8683 -70.8683 -42.8887 -42.8887 -41.9352 -41.9352 -41.7249 -41.7249 -11.6750 -11.6750 -10.8469 -10.8469 -2.9206 -2.9206 -2.6601 -2.6601 -2.0809 -2.0809 -1.6082 -1.6082 -1.0392 -1.0392 0.1402 0.1402 1.0233 1.0233 1.7381 1.7381 1.8295 1.8295 3.1617 3.1617 3.5290 3.5290 k = 0.1701-0.2845-0.0000 ( 4135 PWs) bands (ev): -70.8684 -70.8684 -42.8883 -42.8883 -41.9345 -41.9345 -41.7249 -41.7249 -11.7210 -11.7210 -10.8605 -10.8605 -2.8977 -2.8977 -2.6551 -2.6551 -2.0604 -2.0604 -1.5768 -1.5768 -0.9869 -0.9869 0.1876 0.1876 1.0170 1.0170 1.7367 1.7367 1.8521 1.8521 3.1823 3.1823 3.4992 3.4992 k = 0.1646-0.2753-0.0000 ( 4139 PWs) bands (ev): -70.8685 -70.8685 -42.8878 -42.8878 -41.9338 -41.9338 -41.7248 -41.7248 -11.7667 -11.7667 -10.8743 -10.8743 -2.8733 -2.8733 -2.6631 -2.6631 -2.0279 -2.0279 -1.5437 -1.5437 -0.9329 -0.9329 0.2320 0.2320 1.0122 1.0122 1.7351 1.7351 1.8730 1.8730 3.2056 3.2056 3.4696 3.4696 k = 0.1591-0.2662-0.0000 ( 4141 PWs) bands (ev): -70.8685 -70.8685 -42.8874 -42.8874 -41.9331 -41.9331 -41.7248 -41.7248 -11.8119 -11.8119 -10.8881 -10.8881 -2.8474 -2.8474 -2.6816 -2.6816 -1.9876 -1.9876 -1.5073 -1.5073 -0.8772 -0.8772 0.2730 0.2730 1.0087 1.0087 1.7337 1.7337 1.8918 1.8918 3.2316 3.2316 3.4409 3.4409 k = 0.1536-0.2570-0.0000 ( 4141 PWs) bands (ev): -70.8686 -70.8686 -42.8869 -42.8869 -41.9324 -41.9324 -41.7248 -41.7248 -11.8565 -11.8565 -10.9021 -10.9021 -2.8201 -2.8201 -2.7076 -2.7076 -1.9441 -1.9441 -1.4656 -1.4656 -0.8202 -0.8202 0.3101 0.3101 1.0065 1.0065 1.7327 1.7327 1.9082 1.9082 3.2601 3.2601 3.4136 3.4136 k = 0.1482-0.2478-0.0000 ( 4143 PWs) bands (ev): -70.8687 -70.8687 -42.8864 -42.8864 -41.9316 -41.9316 -41.7248 -41.7248 -11.9005 -11.9005 -10.9160 -10.9160 -2.7920 -2.7920 -2.7382 -2.7382 -1.9015 -1.9015 -1.4169 -1.4169 -0.7619 -0.7619 0.3429 0.3429 1.0053 1.0053 1.7322 1.7322 1.9221 1.9221 3.2912 3.2912 3.3883 3.3883 k = 0.1427-0.2386-0.0000 ( 4139 PWs) bands (ev): -70.8688 -70.8688 -42.8860 -42.8860 -41.9309 -41.9309 -41.7247 -41.7247 -11.9436 -11.9436 -10.9299 -10.9299 -2.7795 -2.7795 -2.7552 -2.7552 -1.8633 -1.8633 -1.3596 -1.3596 -0.7024 -0.7024 0.3708 0.3708 1.0052 1.0052 1.7323 1.7323 1.9334 1.9334 3.3244 3.3244 3.3657 3.3657 k = 0.1372-0.2294-0.0000 ( 4137 PWs) bands (ev): -70.8689 -70.8689 -42.8855 -42.8855 -41.9302 -41.9302 -41.7247 -41.7247 -11.9858 -11.9858 -10.9438 -10.9438 -2.8128 -2.8128 -2.7269 -2.7269 -1.8313 -1.8313 -1.2930 -1.2930 -0.6419 -0.6419 0.3937 0.3937 1.0059 1.0059 1.7329 1.7329 1.9420 1.9420 3.3456 3.3456 3.3608 3.3608 k = 0.1317-0.2203-0.0000 ( 4137 PWs) bands (ev): -70.8690 -70.8690 -42.8850 -42.8850 -41.9295 -41.9295 -41.7247 -41.7247 -12.0271 -12.0271 -10.9574 -10.9574 -2.8504 -2.8504 -2.6944 -2.6944 -1.8061 -1.8061 -1.2176 -1.2176 -0.5806 -0.5806 0.4111 0.4111 1.0073 1.0073 1.7336 1.7336 1.9480 1.9480 3.3307 3.3307 3.3976 3.3976 k = 0.1262-0.2111-0.0000 ( 4143 PWs) bands (ev): -70.8690 -70.8690 -42.8846 -42.8846 -41.9288 -41.9288 -41.7247 -41.7247 -12.0673 -12.0673 -10.9710 -10.9710 -2.8886 -2.8886 -2.6602 -2.6602 -1.7871 -1.7871 -1.1343 -1.1343 -0.5186 -0.5186 0.4230 0.4230 1.0093 1.0093 1.7344 1.7344 1.9513 1.9513 3.3199 3.3199 3.4363 3.4363 k = 0.1207-0.2019-0.0000 ( 4151 PWs) bands (ev): -70.8691 -70.8691 -42.8842 -42.8842 -41.9281 -41.9281 -41.7247 -41.7247 -12.1064 -12.1064 -10.9843 -10.9843 -2.9269 -2.9269 -2.6249 -2.6249 -1.7736 -1.7736 -1.0445 -1.0445 -0.4561 -0.4561 0.4293 0.4293 1.0118 1.0118 1.7346 1.7346 1.9520 1.9520 3.3144 3.3144 3.4762 3.4762 k = 0.1152-0.1927-0.0000 ( 4153 PWs) bands (ev): -70.8692 -70.8692 -42.8837 -42.8837 -41.9274 -41.9274 -41.7246 -41.7246 -12.1442 -12.1442 -10.9973 -10.9973 -2.9648 -2.9648 -2.5886 -2.5886 -1.7644 -1.7644 -0.9496 -0.9496 -0.3931 -0.3931 0.4302 0.4302 1.0148 1.0148 1.7339 1.7339 1.9503 1.9503 3.3146 3.3146 3.5168 3.5168 k = 0.1097-0.1836-0.0000 ( 4151 PWs) bands (ev): -70.8693 -70.8693 -42.8833 -42.8833 -41.9268 -41.9268 -41.7246 -41.7246 -12.1808 -12.1808 -11.0100 -11.0100 -3.0020 -3.0020 -2.5513 -2.5513 -1.7589 -1.7589 -0.8508 -0.8508 -0.3299 -0.3299 0.4259 0.4259 1.0181 1.0181 1.7317 1.7317 1.9462 1.9462 3.3210 3.3210 3.5579 3.5579 k = 0.1043-0.1744-0.0000 ( 4153 PWs) bands (ev): -70.8693 -70.8693 -42.8829 -42.8829 -41.9261 -41.9261 -41.7246 -41.7246 -12.2159 -12.2159 -11.0224 -11.0224 -3.0383 -3.0383 -2.5132 -2.5132 -1.7561 -1.7561 -0.7490 -0.7490 -0.2666 -0.2666 0.4166 0.4166 1.0217 1.0217 1.7275 1.7275 1.9397 1.9397 3.3338 3.3338 3.5990 3.5990 k = 0.0988-0.1652-0.0000 ( 4153 PWs) bands (ev): -70.8694 -70.8694 -42.8825 -42.8825 -41.9255 -41.9255 -41.7246 -41.7246 -12.2497 -12.2497 -11.0344 -11.0344 -3.0734 -3.0734 -2.4746 -2.4746 -1.7555 -1.7555 -0.6452 -0.6452 -0.2034 -0.2034 0.4030 0.4030 1.0255 1.0255 1.7209 1.7209 1.9309 1.9309 3.3531 3.3531 3.6398 3.6398 k = 0.0933-0.1560-0.0000 ( 4149 PWs) bands (ev): -70.8695 -70.8695 -42.8821 -42.8821 -41.9249 -41.9249 -41.7245 -41.7245 -12.2819 -12.2819 -11.0460 -11.0460 -3.1072 -3.1072 -2.4354 -2.4354 -1.7566 -1.7566 -0.5400 -0.5400 -0.1403 -0.1403 0.3853 0.3853 1.0295 1.0295 1.7117 1.7117 1.9200 1.9200 3.3789 3.3789 3.6799 3.6799 k = 0.0878-0.1468-0.0000 ( 4151 PWs) bands (ev): -70.8696 -70.8696 -42.8817 -42.8817 -41.9243 -41.9243 -41.7245 -41.7245 -12.3126 -12.3126 -11.0571 -11.0571 -3.1396 -3.1396 -2.3960 -2.3960 -1.7591 -1.7591 -0.4343 -0.4343 -0.0777 -0.0777 0.3642 0.3642 1.0335 1.0335 1.6995 1.6995 1.9069 1.9069 3.4107 3.4107 3.7190 3.7190 k = 0.0823-0.1377-0.0000 ( 4147 PWs) bands (ev): -70.8696 -70.8696 -42.8814 -42.8814 -41.9237 -41.9237 -41.7245 -41.7245 -12.3417 -12.3417 -11.0678 -11.0678 -3.1705 -3.1705 -2.3566 -2.3566 -1.7624 -1.7624 -0.3285 -0.3285 -0.0157 -0.0157 0.3403 0.3403 1.0376 1.0376 1.6844 1.6844 1.8916 1.8916 3.4483 3.4483 3.7568 3.7568 k = 0.0768-0.1285-0.0000 ( 4147 PWs) bands (ev): -70.8697 -70.8697 -42.8810 -42.8810 -41.9232 -41.9232 -41.7245 -41.7245 -12.3691 -12.3691 -11.0778 -11.0778 -3.1997 -3.1997 -2.3173 -2.3173 -1.7665 -1.7665 -0.2234 -0.2234 0.0454 0.0454 0.3143 0.3143 1.0418 1.0418 1.6665 1.6665 1.8743 1.8743 3.4908 3.4908 3.7930 3.7930 k = 0.0713-0.1193-0.0000 ( 4155 PWs) bands (ev): -70.8697 -70.8697 -42.8807 -42.8807 -41.9227 -41.9227 -41.7245 -41.7245 -12.3948 -12.3948 -11.0874 -11.0874 -3.2272 -3.2272 -2.2785 -2.2785 -1.7711 -1.7711 -0.1196 -0.1196 0.1053 0.1053 0.2870 0.2870 1.0461 1.0461 1.6458 1.6458 1.8548 1.8548 3.5376 3.5376 3.8274 3.8274 k = 0.0658-0.1101-0.0000 ( 4159 PWs) bands (ev): -70.8698 -70.8698 -42.8804 -42.8804 -41.9222 -41.9222 -41.7244 -41.7244 -12.4188 -12.4188 -11.0963 -11.0963 -3.2529 -3.2529 -2.2404 -2.2404 -1.7760 -1.7760 -0.0181 -0.0181 0.1629 0.1629 0.2601 0.2601 1.0505 1.0505 1.6228 1.6228 1.8333 1.8333 3.5877 3.5877 3.8596 3.8596 k = 0.0604-0.1010-0.0000 ( 4159 PWs) bands (ev): -70.8698 -70.8698 -42.8801 -42.8801 -41.9218 -41.9218 -41.7244 -41.7244 -12.4410 -12.4410 -11.1047 -11.1047 -3.2768 -3.2768 -2.2032 -2.2032 -1.7809 -1.7809 0.0793 0.0793 0.2076 0.2076 0.2459 0.2459 1.0551 1.0551 1.5978 1.5978 1.8098 1.8098 3.6402 3.6402 3.8897 3.8897 k = 0.0549-0.0918-0.0000 ( 4165 PWs) bands (ev): -70.8699 -70.8699 -42.8799 -42.8799 -41.9214 -41.9214 -41.7244 -41.7244 -12.4614 -12.4614 -11.1124 -11.1124 -3.2987 -3.2987 -2.1674 -2.1674 -1.7859 -1.7859 0.1567 0.1567 0.2135 0.2135 0.2859 0.2859 1.0599 1.0599 1.5711 1.5711 1.7843 1.7843 3.6938 3.6938 3.9173 3.9173 k = 0.0494-0.0826-0.0000 ( 4165 PWs) bands (ev): -70.8699 -70.8699 -42.8797 -42.8797 -41.9210 -41.9210 -41.7244 -41.7244 -12.4800 -12.4800 -11.1194 -11.1194 -3.3187 -3.3187 -2.1333 -2.1333 -1.7906 -1.7906 0.1534 0.1534 0.2821 0.2821 0.3384 0.3384 1.0651 1.0651 1.5433 1.5433 1.7569 1.7569 3.7476 3.7476 3.9425 3.9425 k = 0.0439-0.0734-0.0000 ( 4167 PWs) bands (ev): -70.8700 -70.8700 -42.8794 -42.8794 -41.9207 -41.9207 -41.7244 -41.7244 -12.4966 -12.4966 -11.1258 -11.1258 -3.3367 -3.3367 -2.1012 -2.1012 -1.7952 -1.7952 0.1285 0.1285 0.3662 0.3662 0.3913 0.3913 1.0708 1.0708 1.5149 1.5149 1.7277 1.7277 3.8004 3.8004 3.9651 3.9651 k = 0.0384-0.0642-0.0000 ( 4169 PWs) bands (ev): -70.8700 -70.8700 -42.8793 -42.8793 -41.9204 -41.9204 -41.7244 -41.7244 -12.5114 -12.5114 -11.1314 -11.1314 -3.3527 -3.3527 -2.0716 -2.0716 -1.7994 -1.7994 0.1028 0.1028 0.4333 0.4333 0.4549 0.4549 1.0773 1.0773 1.4866 1.4866 1.6971 1.6971 3.8509 3.8509 3.9850 3.9850 k = 0.0329-0.0551-0.0000 ( 4167 PWs) bands (ev): -70.8700 -70.8700 -42.8791 -42.8791 -41.9201 -41.9201 -41.7244 -41.7244 -12.5243 -12.5243 -11.1363 -11.1363 -3.3666 -3.3666 -2.0448 -2.0448 -1.8031 -1.8031 0.0786 0.0786 0.4806 0.4806 0.5288 0.5288 1.0846 1.0846 1.4591 1.4591 1.6655 1.6655 3.8978 3.8978 4.0024 4.0024 k = 0.0274-0.0459-0.0000 ( 4171 PWs) bands (ev): -70.8701 -70.8701 -42.8790 -42.8790 -41.9199 -41.9199 -41.7243 -41.7243 -12.5352 -12.5352 -11.1405 -11.1405 -3.3784 -3.3784 -2.0213 -2.0213 -1.8064 -1.8064 0.0569 0.0569 0.5220 0.5220 0.5964 0.5964 1.0930 1.0930 1.4332 1.4332 1.6335 1.6335 3.9399 3.9399 4.0173 4.0173 k = 0.0219-0.0367-0.0000 ( 4175 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9198 -41.9198 -41.7243 -41.7243 -12.5441 -12.5441 -11.1440 -11.1440 -3.3881 -3.3881 -2.0015 -2.0015 -1.8092 -1.8092 0.0382 0.0382 0.5579 0.5579 0.6547 0.6547 1.1025 1.1025 1.4101 1.4101 1.6022 1.6022 3.9758 3.9758 4.0298 4.0298 k = 0.0165-0.0275-0.0000 ( 4173 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9196 -41.9196 -41.7243 -41.7243 -12.5511 -12.5511 -11.1467 -11.1467 -3.3956 -3.3956 -1.9856 -1.9856 -1.8114 -1.8114 0.0232 0.0232 0.5875 0.5875 0.7019 0.7019 1.1126 1.1126 1.3909 1.3909 1.5734 1.5734 4.0041 4.0041 4.0404 4.0404 k = 0.0110-0.0184-0.0000 ( 4167 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9195 -41.9195 -41.7243 -41.7243 -12.5560 -12.5560 -11.1486 -11.1486 -3.4010 -3.4010 -1.9741 -1.9741 -1.8129 -1.8129 0.0122 0.0122 0.6097 0.6097 0.7365 0.7365 1.1221 1.1221 1.3766 1.3766 1.5494 1.5494 4.0235 4.0235 4.0495 4.0495 k = 0.0055-0.0092-0.0000 ( 4171 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5590 -12.5590 -11.1498 -11.1498 -3.4043 -3.4043 -1.9670 -1.9670 -1.8139 -1.8139 0.0054 0.0054 0.6235 0.6235 0.7576 0.7576 1.1291 1.1291 1.3679 1.3679 1.5330 1.5330 4.0337 4.0337 4.0567 4.0567 k = 0.0000 0.0000 0.0000 ( 4181 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4054 -3.4054 -1.9647 -1.9647 -1.8143 -1.8143 0.0031 0.0031 0.6282 0.6282 0.7646 0.7646 1.1318 1.1318 1.3650 1.3650 1.5272 1.5272 4.0367 4.0367 4.0595 4.0595 k = 0.0000 0.0000 0.0000 ( 4181 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4054 -3.4054 -1.9647 -1.9647 -1.8143 -1.8143 0.0031 0.0031 0.6282 0.6282 0.7646 0.7646 1.1318 1.1318 1.3650 1.3650 1.5272 1.5272 4.0367 4.0367 4.0595 4.0595 k = 0.0094-0.0051-0.0005 ( 4173 PWs) bands (ev): -70.8701 -70.8701 -42.8786 -42.8786 -41.9194 -41.9194 -41.7243 -41.7243 -12.5590 -12.5590 -11.1498 -11.1498 -3.4043 -3.4043 -1.9663 -1.9663 -1.8147 -1.8147 0.0055 0.0055 0.6232 0.6232 0.7582 0.7582 1.1310 1.1310 1.3647 1.3647 1.5340 1.5340 4.0337 4.0337 4.0567 4.0567 k = 0.0189-0.0101-0.0011 ( 4164 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9195 -41.9195 -41.7243 -41.7243 -12.5560 -12.5560 -11.1486 -11.1486 -3.4010 -3.4010 -1.9714 -1.9714 -1.8161 -1.8161 0.0125 0.0125 0.6079 0.6079 0.7397 0.7397 1.1282 1.1282 1.3659 1.3659 1.5525 1.5525 4.0232 4.0232 4.0501 4.0501 k = 0.0283-0.0152-0.0016 ( 4167 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9196 -41.9196 -41.7243 -41.7243 -12.5510 -12.5510 -11.1466 -11.1466 -3.3956 -3.3956 -1.9802 -1.9802 -1.8178 -1.8178 0.0240 0.0240 0.5819 0.5819 0.7115 0.7115 1.1220 1.1220 1.3723 1.3723 1.5783 1.5783 4.0028 4.0028 4.0425 4.0425 k = 0.0377-0.0203-0.0021 ( 4166 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9197 -41.9197 -41.7243 -41.7243 -12.5439 -12.5439 -11.1438 -11.1438 -3.3880 -3.3880 -1.9931 -1.9931 -1.8194 -1.8194 0.0396 0.0396 0.5443 0.5443 0.6764 0.6764 1.1124 1.1124 1.3858 1.3858 1.6079 1.6079 3.9728 3.9728 4.0343 4.0343 k = 0.0472-0.0253-0.0027 ( 4165 PWs) bands (ev): -70.8701 -70.8701 -42.8790 -42.8790 -41.9199 -41.9199 -41.7243 -41.7243 -12.5349 -12.5349 -11.1403 -11.1403 -3.3783 -3.3783 -2.0103 -2.0103 -1.8202 -1.8202 0.0589 0.0589 0.4948 0.4948 0.6373 0.6373 1.1003 1.1003 1.4057 1.4057 1.6392 1.6392 3.9345 3.9345 4.0249 4.0249 k = 0.0566-0.0304-0.0032 ( 4163 PWs) bands (ev): -70.8700 -70.8700 -42.8791 -42.8791 -41.9201 -41.9201 -41.7243 -41.7243 -12.5239 -12.5239 -11.1359 -11.1359 -3.3664 -3.3664 -2.0319 -2.0319 -1.8199 -1.8199 0.0812 0.0812 0.4334 0.4334 0.5963 0.5963 1.0870 1.0870 1.4303 1.4303 1.6705 1.6705 3.8894 3.8894 4.0143 4.0143 k = 0.0660-0.0355-0.0037 ( 4159 PWs) bands (ev): -70.8700 -70.8700 -42.8793 -42.8793 -41.9204 -41.9204 -41.7243 -41.7243 -12.5110 -12.5110 -11.1309 -11.1309 -3.3525 -3.3525 -2.0576 -2.0576 -1.8183 -1.8183 0.1058 0.1058 0.3615 0.3615 0.5544 0.5544 1.0734 1.0734 1.4579 1.4579 1.7011 1.7011 3.8384 3.8384 4.0024 4.0024 k = 0.0755-0.0406-0.0043 ( 4158 PWs) bands (ev): -70.8700 -70.8700 -42.8795 -42.8795 -41.9207 -41.9207 -41.7243 -41.7243 -12.4961 -12.4961 -11.1251 -11.1251 -3.3364 -3.3364 -2.0870 -2.0870 -1.8153 -1.8153 0.1311 0.1311 0.2816 0.2816 0.5118 0.5118 1.0600 1.0600 1.4871 1.4871 1.7305 1.7305 3.7829 3.7829 3.9894 3.9894 k = 0.0849-0.0456-0.0048 ( 4160 PWs) bands (ev): -70.8699 -70.8699 -42.8797 -42.8797 -41.9211 -41.9211 -41.7244 -41.7244 -12.4792 -12.4792 -11.1185 -11.1185 -3.3184 -3.3184 -2.1197 -2.1197 -1.8111 -1.8111 0.1462 0.1462 0.2053 0.2053 0.4688 0.4688 1.0470 1.0470 1.5169 1.5169 1.7584 1.7584 3.7238 3.7238 3.9754 3.9754 k = 0.0943-0.0507-0.0053 ( 4158 PWs) bands (ev): -70.8699 -70.8699 -42.8799 -42.8799 -41.9214 -41.9214 -41.7244 -41.7244 -12.4605 -12.4605 -11.1113 -11.1113 -3.2983 -3.2983 -2.1552 -2.1552 -1.8058 -1.8058 0.0827 0.0827 0.2016 0.2016 0.4258 0.4258 1.0343 1.0343 1.5464 1.5464 1.7846 1.7846 3.6625 3.6625 3.9606 3.9606 k = 0.1038-0.0558-0.0059 ( 4156 PWs) bands (ev): -70.8698 -70.8698 -42.8802 -42.8802 -41.9219 -41.9219 -41.7244 -41.7244 -12.4399 -12.4399 -11.1034 -11.1034 -3.2763 -3.2763 -2.1931 -2.1931 -1.7994 -1.7994 -0.0159 -0.0159 0.2271 0.2271 0.3832 0.3832 1.0219 1.0219 1.5751 1.5751 1.8091 1.8091 3.5998 3.5998 3.9453 3.9453 k = 0.1132-0.0608-0.0064 ( 4158 PWs) bands (ev): -70.8698 -70.8698 -42.8805 -42.8805 -41.9223 -41.9223 -41.7244 -41.7244 -12.4175 -12.4175 -11.0949 -11.0949 -3.2523 -3.2523 -2.2329 -2.2329 -1.7921 -1.7921 -0.1216 -0.1216 0.2526 0.2526 0.3428 0.3428 1.0096 1.0096 1.6024 1.6024 1.8317 1.8317 3.5370 3.5370 3.9297 3.9297 k = 0.1226-0.0659-0.0069 ( 4163 PWs) bands (ev): -70.8697 -70.8697 -42.8808 -42.8808 -41.9228 -41.9228 -41.7244 -41.7244 -12.3933 -12.3933 -11.0858 -11.0858 -3.2266 -3.2266 -2.2742 -2.2742 -1.7841 -1.7841 -0.2317 -0.2317 0.2652 0.2652 0.3150 0.3150 0.9972 0.9972 1.6281 1.6281 1.8525 1.8525 3.4751 3.4751 3.9141 3.9141 k = 0.1321-0.0710-0.0075 ( 4162 PWs) bands (ev): -70.8697 -70.8697 -42.8811 -42.8811 -41.9233 -41.9233 -41.7245 -41.7245 -12.3673 -12.3673 -11.0760 -11.0760 -3.1990 -3.1990 -2.3167 -2.3167 -1.7753 -1.7753 -0.3451 -0.3451 0.2403 0.2403 0.3237 0.3237 0.9848 0.9848 1.6517 1.6517 1.8714 1.8714 3.4151 3.4151 3.8986 3.8986 k = 0.1415-0.0760-0.0080 ( 4163 PWs) bands (ev): -70.8696 -70.8696 -42.8815 -42.8815 -41.9239 -41.9239 -41.7245 -41.7245 -12.3396 -12.3396 -11.0657 -11.0657 -3.1698 -3.1698 -2.3601 -2.3601 -1.7660 -1.7660 -0.4611 -0.4611 0.2015 0.2015 0.3446 0.3446 0.9721 0.9721 1.6731 1.6731 1.8883 1.8883 3.3581 3.3581 3.8836 3.8836 k = 0.1509-0.0811-0.0085 ( 4166 PWs) bands (ev): -70.8695 -70.8695 -42.8819 -42.8819 -41.9245 -41.9245 -41.7245 -41.7245 -12.3103 -12.3103 -11.0550 -11.0550 -3.1391 -3.1391 -2.4041 -2.4041 -1.7562 -1.7562 -0.5790 -0.5790 0.1611 0.1611 0.3649 0.3649 0.9591 0.9591 1.6919 1.6919 1.9033 1.9033 3.3050 3.3050 3.8693 3.8693 k = 0.1604-0.0862-0.0091 ( 4161 PWs) bands (ev): -70.8695 -70.8695 -42.8822 -42.8822 -41.9250 -41.9250 -41.7245 -41.7245 -12.2793 -12.2793 -11.0437 -11.0437 -3.1069 -3.1069 -2.4485 -2.4485 -1.7460 -1.7460 -0.6981 -0.6981 0.1210 0.1210 0.3822 0.3822 0.9458 0.9458 1.7081 1.7081 1.9163 1.9163 3.2567 3.2567 3.8559 3.8559 k = 0.1698-0.0912-0.0096 ( 4159 PWs) bands (ev): -70.8694 -70.8694 -42.8826 -42.8826 -41.9257 -41.9257 -41.7245 -41.7245 -12.2468 -12.2468 -11.0320 -11.0320 -3.0734 -3.0734 -2.4931 -2.4931 -1.7355 -1.7355 -0.8179 -0.8179 0.0817 0.0817 0.3955 0.3955 0.9323 0.9323 1.7215 1.7215 1.9273 1.9273 3.2141 3.2141 3.8435 3.8435 k = 0.1792-0.0963-0.0101 ( 4157 PWs) bands (ev): -70.8693 -70.8693 -42.8830 -42.8830 -41.9263 -41.9263 -41.7246 -41.7246 -12.2127 -12.2127 -11.0199 -11.0199 -3.0388 -3.0388 -2.5377 -2.5377 -1.7248 -1.7248 -0.9378 -0.9378 0.0435 0.0435 0.4040 0.4040 0.9187 0.9187 1.7319 1.7319 1.9361 1.9361 3.1780 3.1780 3.8324 3.8324 k = 0.1887-0.1014-0.0107 ( 4153 PWs) bands (ev): -70.8692 -70.8692 -42.8834 -42.8834 -41.9269 -41.9269 -41.7246 -41.7246 -12.1772 -12.1772 -11.0075 -11.0075 -3.0035 -3.0035 -2.5821 -2.5821 -1.7140 -1.7140 -1.0573 -1.0573 0.0066 0.0066 0.4070 0.4070 0.9051 0.9051 1.7394 1.7394 1.9429 1.9429 3.1488 3.1488 3.8226 3.8226 k = 0.1981-0.1065-0.0112 ( 4150 PWs) bands (ev): -70.8692 -70.8692 -42.8839 -42.8839 -41.9276 -41.9276 -41.7246 -41.7246 -12.1404 -12.1404 -10.9948 -10.9948 -2.9678 -2.9678 -2.6261 -2.6261 -1.7032 -1.7032 -1.1756 -1.1756 -0.0289 -0.0289 0.4039 0.4039 0.8917 0.8917 1.7439 1.7439 1.9477 1.9477 3.1271 3.1271 3.8142 3.8142 k = 0.2075-0.1115-0.0117 ( 4149 PWs) bands (ev): -70.8691 -70.8691 -42.8843 -42.8843 -41.9283 -41.9283 -41.7246 -41.7246 -12.1022 -12.1022 -10.9819 -10.9819 -2.9326 -2.9326 -2.6692 -2.6692 -1.6925 -1.6925 -1.2921 -1.2921 -0.0628 -0.0628 0.3945 0.3945 0.8788 0.8788 1.7454 1.7454 1.9506 1.9506 3.1129 3.1129 3.8074 3.8074 k = 0.2170-0.1166-0.0123 ( 4146 PWs) bands (ev): -70.8690 -70.8690 -42.8847 -42.8847 -41.9290 -41.9290 -41.7246 -41.7246 -12.0628 -12.0628 -10.9688 -10.9688 -2.8992 -2.8992 -2.7102 -2.7102 -1.6821 -1.6821 -1.4060 -1.4060 -0.0949 -0.0949 0.3783 0.3783 0.8665 0.8665 1.7440 1.7440 1.9517 1.9517 3.1064 3.1064 3.8022 3.8022 k = 0.2264-0.1217-0.0128 ( 4146 PWs) bands (ev): -70.8689 -70.8689 -42.8852 -42.8852 -41.9297 -41.9297 -41.7246 -41.7246 -12.0223 -12.0223 -10.9556 -10.9556 -2.8720 -2.8720 -2.7456 -2.7456 -1.6720 -1.6720 -1.5163 -1.5163 -0.1252 -0.1252 0.3555 0.3555 0.8551 0.8551 1.7397 1.7397 1.9512 1.9512 3.1073 3.1073 3.7984 3.7984 k = 0.2358-0.1267-0.0133 ( 4155 PWs) bands (ev): -70.8688 -70.8688 -42.8857 -42.8857 -41.9304 -41.9304 -41.7247 -41.7247 -11.9807 -11.9807 -10.9424 -10.9424 -2.8637 -2.8637 -2.7633 -2.7633 -1.6628 -1.6628 -1.6216 -1.6216 -0.1536 -0.1536 0.3261 0.3261 0.8444 0.8444 1.7327 1.7327 1.9492 1.9492 3.1151 3.1151 3.7962 3.7962 k = 0.2453-0.1318-0.0139 ( 4151 PWs) bands (ev): -70.8688 -70.8688 -42.8861 -42.8861 -41.9311 -41.9311 -41.7247 -41.7247 -11.9382 -11.9382 -10.9291 -10.9291 -2.8859 -2.8859 -2.7530 -2.7530 -1.7228 -1.7228 -1.6522 -1.6522 -0.1800 -0.1800 0.2908 0.2908 0.8347 0.8347 1.7232 1.7232 1.9459 1.9459 3.1295 3.1295 3.7955 3.7955 k = 0.2547-0.1369-0.0144 ( 4148 PWs) bands (ev): -70.8687 -70.8687 -42.8866 -42.8866 -41.9318 -41.9318 -41.7247 -41.7247 -11.8948 -11.8948 -10.9160 -10.9160 -2.9244 -2.9244 -2.7302 -2.7302 -1.8148 -1.8148 -1.6438 -1.6438 -0.2043 -0.2043 0.2499 0.2499 0.8257 0.8257 1.7112 1.7112 1.9416 1.9416 3.1497 3.1497 3.7962 3.7962 k = 0.2642-0.1419-0.0149 ( 4149 PWs) bands (ev): -70.8686 -70.8686 -42.8871 -42.8871 -41.9325 -41.9325 -41.7247 -41.7247 -11.8506 -11.8506 -10.9030 -10.9030 -2.9691 -2.9691 -2.7070 -2.7070 -1.8971 -1.8971 -1.6358 -1.6358 -0.2265 -0.2265 0.2044 0.2044 0.8173 0.8173 1.6970 1.6970 1.9362 1.9362 3.1752 3.1752 3.7981 3.7981 k = 0.2736-0.1470-0.0155 ( 4148 PWs) bands (ev): -70.8685 -70.8685 -42.8875 -42.8875 -41.9332 -41.9332 -41.7247 -41.7247 -11.8058 -11.8058 -10.8902 -10.8902 -3.0173 -3.0173 -2.6888 -2.6888 -1.9669 -1.9669 -1.6285 -1.6285 -0.2465 -0.2465 0.1549 0.1549 0.8095 0.8095 1.6808 1.6808 1.9299 1.9299 3.2053 3.2053 3.8012 3.8012 k = 0.2830-0.1521-0.0160 ( 4146 PWs) bands (ev): -70.8684 -70.8684 -42.8880 -42.8880 -41.9339 -41.9339 -41.7247 -41.7247 -11.7605 -11.7605 -10.8777 -10.8777 -3.0684 -3.0684 -2.6786 -2.6786 -2.0214 -2.0214 -1.6220 -1.6220 -0.2644 -0.2644 0.1023 0.1023 0.8021 0.8021 1.6628 1.6628 1.9228 1.9228 3.2391 3.2391 3.8053 3.8053 k = 0.2925-0.1571-0.0165 ( 4151 PWs) bands (ev): -70.8684 -70.8684 -42.8884 -42.8884 -41.9346 -41.9346 -41.7248 -41.7248 -11.7147 -11.7147 -10.8657 -10.8657 -3.1225 -3.1225 -2.6787 -2.6787 -2.0582 -2.0582 -1.6164 -1.6164 -0.2803 -0.2803 0.0474 0.0474 0.7950 0.7950 1.6432 1.6432 1.9148 1.9148 3.2762 3.2762 3.8104 3.8104 k = 0.3019-0.1622-0.0171 ( 4152 PWs) bands (ev): -70.8683 -70.8683 -42.8889 -42.8889 -41.9353 -41.9353 -41.7248 -41.7248 -11.6687 -11.6687 -10.8540 -10.8540 -3.1797 -3.1797 -2.6895 -2.6895 -2.0768 -2.0768 -1.6116 -1.6116 -0.2941 -0.2941 -0.0090 -0.0090 0.7882 0.7882 1.6222 1.6222 1.9060 1.9060 3.3158 3.3158 3.8163 3.8163 k = 0.3113-0.1673-0.0176 ( 4149 PWs) bands (ev): -70.8682 -70.8682 -42.8893 -42.8893 -41.9360 -41.9360 -41.7248 -41.7248 -11.6224 -11.6224 -10.8430 -10.8430 -3.2400 -3.2400 -2.7093 -2.7093 -2.0787 -2.0787 -1.6076 -1.6076 -0.3063 -0.3063 -0.0659 -0.0659 0.7816 0.7816 1.6001 1.6001 1.8964 1.8964 3.3574 3.3574 3.8229 3.8229 k = 0.3208-0.1723-0.0181 ( 4149 PWs) bands (ev): -70.8681 -70.8681 -42.8897 -42.8897 -41.9366 -41.9366 -41.7248 -41.7248 -11.5762 -11.5762 -10.8325 -10.8325 -3.3032 -3.3032 -2.7351 -2.7351 -2.0671 -2.0671 -1.6046 -1.6046 -0.3171 -0.3171 -0.1223 -0.1223 0.7751 0.7751 1.5772 1.5772 1.8860 1.8860 3.4002 3.4002 3.8300 3.8300 k = 0.3302-0.1774-0.0187 ( 4152 PWs) bands (ev): -70.8680 -70.8680 -42.8901 -42.8901 -41.9373 -41.9373 -41.7248 -41.7248 -11.5301 -11.5301 -10.8228 -10.8228 -3.3688 -3.3688 -2.7638 -2.7638 -2.0457 -2.0457 -1.6024 -1.6024 -0.3276 -0.3276 -0.1767 -0.1767 0.7688 0.7688 1.5535 1.5535 1.8749 1.8749 3.4437 3.4437 3.8377 3.8377 k = 0.3396-0.1825-0.0192 ( 4160 PWs) bands (ev): -70.8680 -70.8680 -42.8906 -42.8906 -41.9379 -41.9379 -41.7248 -41.7248 -11.4842 -11.4842 -10.8139 -10.8139 -3.4361 -3.4361 -2.7928 -2.7928 -2.0177 -2.0177 -1.6010 -1.6010 -0.3401 -0.3401 -0.2264 -0.2264 0.7626 0.7626 1.5294 1.5294 1.8630 1.8630 3.4875 3.4875 3.8457 3.8457 k = 0.3491-0.1876-0.0197 ( 4160 PWs) bands (ev): -70.8679 -70.8679 -42.8909 -42.8909 -41.9385 -41.9385 -41.7248 -41.7248 -11.4388 -11.4388 -10.8059 -10.8059 -3.5045 -3.5045 -2.8205 -2.8205 -1.9855 -1.9855 -1.6003 -1.6003 -0.3595 -0.3595 -0.2659 -0.2659 0.7565 0.7565 1.5051 1.5051 1.8505 1.8505 3.5309 3.5309 3.8541 3.8541 k = 0.3585-0.1926-0.0203 ( 4164 PWs) bands (ev): -70.8679 -70.8679 -42.8913 -42.8913 -41.9391 -41.9391 -41.7248 -41.7248 -11.3939 -11.3939 -10.7989 -10.7989 -3.5729 -3.5729 -2.8462 -2.8462 -1.9511 -1.9511 -1.6002 -1.6002 -0.3913 -0.3913 -0.2895 -0.2895 0.7505 0.7505 1.4808 1.4808 1.8374 1.8374 3.5734 3.5734 3.8629 3.8629 k = 0.3679-0.1977-0.0208 ( 4160 PWs) bands (ev): -70.8678 -70.8678 -42.8917 -42.8917 -41.9396 -41.9396 -41.7248 -41.7248 -11.3497 -11.3497 -10.7929 -10.7929 -3.6406 -3.6406 -2.8694 -2.8694 -1.9157 -1.9157 -1.6006 -1.6006 -0.4324 -0.4324 -0.3000 -0.3000 0.7446 0.7446 1.4567 1.4567 1.8238 1.8238 3.6146 3.6146 3.8719 3.8719 k = 0.3774-0.2028-0.0213 ( 4159 PWs) bands (ev): -70.8677 -70.8677 -42.8920 -42.8920 -41.9401 -41.9401 -41.7248 -41.7248 -11.3064 -11.3064 -10.7882 -10.7882 -3.7067 -3.7067 -2.8900 -2.8900 -1.8806 -1.8806 -1.6013 -1.6013 -0.4762 -0.4762 -0.3036 -0.3036 0.7388 0.7388 1.4330 1.4330 1.8099 1.8099 3.6539 3.6539 3.8814 3.8814 k = 0.3868-0.2078-0.0219 ( 4162 PWs) bands (ev): -70.8677 -70.8677 -42.8923 -42.8923 -41.9406 -41.9406 -41.7249 -41.7249 -11.2641 -11.2641 -10.7848 -10.7848 -3.7705 -3.7705 -2.9080 -2.9080 -1.8466 -1.8466 -1.6022 -1.6022 -0.5192 -0.5192 -0.3038 -0.3038 0.7332 0.7332 1.4100 1.4100 1.7958 1.7958 3.6907 3.6907 3.8913 3.8913 k = 0.3962-0.2129-0.0224 ( 4160 PWs) bands (ev): -70.8676 -70.8676 -42.8926 -42.8926 -41.9411 -41.9411 -41.7249 -41.7249 -11.2229 -11.2229 -10.7827 -10.7827 -3.8313 -3.8313 -2.9237 -2.9237 -1.8145 -1.8145 -1.6031 -1.6031 -0.5598 -0.5598 -0.3019 -0.3019 0.7278 0.7278 1.3878 1.3878 1.7817 1.7817 3.7245 3.7245 3.9018 3.9018 k = 0.4057-0.2180-0.0229 ( 4162 PWs) bands (ev): -70.8676 -70.8676 -42.8929 -42.8929 -41.9415 -41.9415 -41.7249 -41.7249 -11.1831 -11.1831 -10.7821 -10.7821 -3.8887 -3.8887 -2.9372 -2.9372 -1.7851 -1.7851 -1.6036 -1.6036 -0.5972 -0.5972 -0.2987 -0.2987 0.7225 0.7225 1.3667 1.3667 1.7677 1.7677 3.7549 3.7549 3.9131 3.9131 k = 0.4151-0.2230-0.0235 ( 4166 PWs) bands (ev): -70.8675 -70.8675 -42.8932 -42.8932 -41.9419 -41.9419 -41.7249 -41.7249 -11.1448 -11.1448 -10.7830 -10.7830 -3.9420 -3.9420 -2.9487 -2.9487 -1.7590 -1.7590 -1.6036 -1.6036 -0.6309 -0.6309 -0.2948 -0.2948 0.7175 0.7175 1.3469 1.3469 1.7541 1.7541 3.7814 3.7814 3.9252 3.9252 k = 0.4245-0.2281-0.0240 ( 4164 PWs) bands (ev): -70.8675 -70.8675 -42.8934 -42.8934 -41.9422 -41.9422 -41.7249 -41.7249 -11.1081 -11.1081 -10.7856 -10.7856 -3.9908 -3.9908 -2.9584 -2.9584 -1.7368 -1.7368 -1.6026 -1.6026 -0.6606 -0.6606 -0.2904 -0.2904 0.7128 0.7128 1.3286 1.3286 1.7412 1.7412 3.8037 3.8037 3.9381 3.9381 k = 0.4340-0.2332-0.0245 ( 4167 PWs) bands (ev): -70.8675 -70.8675 -42.8936 -42.8936 -41.9425 -41.9425 -41.7249 -41.7249 -11.0731 -11.0731 -10.7899 -10.7899 -4.0347 -4.0347 -2.9665 -2.9665 -1.7188 -1.7188 -1.6004 -1.6004 -0.6861 -0.6861 -0.2859 -0.2859 0.7084 0.7084 1.3118 1.3118 1.7290 1.7290 3.8218 3.8218 3.9516 3.9516 k = 0.4434-0.2382-0.0251 ( 4170 PWs) bands (ev): -70.8674 -70.8674 -42.8938 -42.8938 -41.9428 -41.9428 -41.7249 -41.7249 -11.0400 -11.0400 -10.7960 -10.7960 -4.0734 -4.0734 -2.9730 -2.9730 -1.7052 -1.7052 -1.5971 -1.5971 -0.7076 -0.7076 -0.2814 -0.2814 0.7045 0.7045 1.2969 1.2969 1.7180 1.7180 3.8362 3.8362 3.9650 3.9650 k = 0.4528-0.2433-0.0256 ( 4169 PWs) bands (ev): -70.8674 -70.8674 -42.8939 -42.8939 -41.9430 -41.9430 -41.7249 -41.7249 -11.0090 -11.0090 -10.8039 -10.8039 -4.1067 -4.1067 -2.9783 -2.9783 -1.6956 -1.6956 -1.5927 -1.5927 -0.7252 -0.7252 -0.2773 -0.2773 0.7010 0.7010 1.2840 1.2840 1.7082 1.7082 3.8473 3.8473 3.9778 3.9778 k = 0.4623-0.2484-0.0261 ( 4168 PWs) bands (ev): -70.8674 -70.8674 -42.8940 -42.8940 -41.9432 -41.9432 -41.7249 -41.7249 -10.9801 -10.9801 -10.8136 -10.8136 -4.1342 -4.1342 -2.9825 -2.9825 -1.6893 -1.6893 -1.5881 -1.5881 -0.7390 -0.7390 -0.2736 -0.2736 0.6980 0.6980 1.2732 1.2732 1.6999 1.6999 3.8556 3.8556 3.9891 3.9891 k = 0.4717-0.2535-0.0267 ( 4167 PWs) bands (ev): -70.8674 -70.8674 -42.8941 -42.8941 -41.9434 -41.9434 -41.7249 -41.7249 -10.9537 -10.9537 -10.8249 -10.8249 -4.1558 -4.1558 -2.9855 -2.9855 -1.6854 -1.6854 -1.5838 -1.5838 -0.7494 -0.7494 -0.2706 -0.2706 0.6956 0.6956 1.2646 1.2646 1.6933 1.6933 3.8616 3.8616 3.9985 3.9985 k = 0.4811-0.2585-0.0272 ( 4169 PWs) bands (ev): -70.8674 -70.8674 -42.8942 -42.8942 -41.9435 -41.9435 -41.7249 -41.7249 -10.9304 -10.9304 -10.8374 -10.8374 -4.1714 -4.1714 -2.9877 -2.9877 -1.6831 -1.6831 -1.5803 -1.5803 -0.7565 -0.7565 -0.2684 -0.2684 0.6939 0.6939 1.2585 1.2585 1.6884 1.6884 3.8657 3.8657 4.0055 4.0055 k = 0.4906-0.2636-0.0277 ( 4164 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9435 -41.9435 -41.7249 -41.7249 -10.9118 -10.9118 -10.8494 -10.8494 -4.1807 -4.1807 -2.9889 -2.9889 -1.6819 -1.6819 -1.5781 -1.5781 -0.7607 -0.7607 -0.2670 -0.2670 0.6928 0.6928 1.2548 1.2548 1.6854 1.6854 3.8681 3.8681 4.0098 4.0098 k = 0.5000-0.2687-0.0283 ( 4162 PWs) bands (ev): -70.8673 -70.8673 -42.8943 -42.8943 -41.9435 -41.9435 -41.7249 -41.7249 -10.9035 -10.9035 -10.8555 -10.8555 -4.1838 -4.1838 -2.9893 -2.9893 -1.6816 -1.6816 -1.5774 -1.5774 -0.7621 -0.7621 -0.2666 -0.2666 0.6924 0.6924 1.2535 1.2535 1.6844 1.6844 3.8688 3.8688 4.0113 4.0113 k = 0.5000-0.2687 0.1300 ( 4166 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9435 -41.9435 -41.7249 -41.7249 -10.9035 -10.9035 -10.8555 -10.8555 -4.1839 -4.1839 -2.9894 -2.9894 -1.6816 -1.6816 -1.5773 -1.5773 -0.7618 -0.7618 -0.2666 -0.2666 0.6923 0.6923 1.2535 1.2535 1.6844 1.6844 3.8694 3.8694 4.0123 4.0123 k = 0.4909-0.2638 0.1277 ( 4171 PWs) bands (ev): -70.8673 -70.8673 -42.8942 -42.8942 -41.9435 -41.9435 -41.7249 -41.7249 -10.9113 -10.9113 -10.8498 -10.8498 -4.1810 -4.1810 -2.9890 -2.9890 -1.6819 -1.6819 -1.5780 -1.5780 -0.7605 -0.7605 -0.2670 -0.2670 0.6926 0.6926 1.2547 1.2547 1.6853 1.6853 3.8687 3.8687 4.0109 4.0109 k = 0.4818-0.2589 0.1253 ( 4164 PWs) bands (ev): -70.8674 -70.8674 -42.8942 -42.8942 -41.9435 -41.9435 -41.7249 -41.7249 -10.9289 -10.9289 -10.8383 -10.8383 -4.1723 -4.1723 -2.9879 -2.9879 -1.6829 -1.6829 -1.5800 -1.5800 -0.7566 -0.7566 -0.2683 -0.2683 0.6936 0.6936 1.2581 1.2581 1.6881 1.6881 3.8665 3.8665 4.0069 4.0069 k = 0.4727-0.2540 0.1229 ( 4163 PWs) bands (ev): -70.8674 -70.8674 -42.8941 -42.8941 -41.9434 -41.9434 -41.7249 -41.7249 -10.9510 -10.9510 -10.8262 -10.8262 -4.1578 -4.1578 -2.9859 -2.9859 -1.6849 -1.6849 -1.5833 -1.5833 -0.7500 -0.7500 -0.2704 -0.2704 0.6952 0.6952 1.2639 1.2639 1.6926 1.6926 3.8628 3.8628 4.0004 4.0004 k = 0.4636-0.2491 0.1206 ( 4165 PWs) bands (ev): -70.8674 -70.8674 -42.8940 -42.8940 -41.9432 -41.9432 -41.7249 -41.7249 -10.9761 -10.9761 -10.8151 -10.8151 -4.1377 -4.1377 -2.9830 -2.9830 -1.6884 -1.6884 -1.5874 -1.5874 -0.7405 -0.7405 -0.2732 -0.2732 0.6975 0.6975 1.2718 1.2718 1.6988 1.6988 3.8573 3.8573 3.9916 3.9916 k = 0.4545-0.2442 0.1182 ( 4169 PWs) bands (ev): -70.8674 -70.8674 -42.8939 -42.8939 -41.9431 -41.9431 -41.7249 -41.7249 -11.0035 -11.0035 -10.8055 -10.8055 -4.1121 -4.1121 -2.9792 -2.9792 -1.6941 -1.6941 -1.5919 -1.5919 -0.7278 -0.7278 -0.2766 -0.2766 0.7003 0.7003 1.2818 1.2818 1.7065 1.7065 3.8498 3.8498 3.9809 3.9809 k = 0.4455-0.2394 0.1159 ( 4165 PWs) bands (ev): -70.8674 -70.8674 -42.8938 -42.8938 -41.9428 -41.9428 -41.7249 -41.7249 -11.0331 -11.0331 -10.7976 -10.7976 -4.0812 -4.0812 -2.9744 -2.9744 -1.7026 -1.7026 -1.5961 -1.5961 -0.7117 -0.7117 -0.2805 -0.2805 0.7036 0.7036 1.2939 1.2939 1.7157 1.7157 3.8398 3.8398 3.9687 3.9687 k = 0.4364-0.2345 0.1135 ( 4164 PWs) bands (ev): -70.8675 -70.8675 -42.8936 -42.8936 -41.9426 -41.9426 -41.7249 -41.7249 -11.0645 -11.0645 -10.7913 -10.7913 -4.0451 -4.0451 -2.9683 -2.9683 -1.7147 -1.7147 -1.5997 -1.5997 -0.6919 -0.6919 -0.2847 -0.2847 0.7073 0.7073 1.3078 1.3078 1.7261 1.7261 3.8269 3.8269 3.9557 3.9557 k = 0.4273-0.2296 0.1111 ( 4166 PWs) bands (ev): -70.8675 -70.8675 -42.8934 -42.8934 -41.9423 -41.9423 -41.7249 -41.7249 -11.0977 -11.0977 -10.7867 -10.7867 -4.0041 -4.0041 -2.9610 -2.9610 -1.7309 -1.7309 -1.6021 -1.6021 -0.6684 -0.6684 -0.2891 -0.2891 0.7114 0.7114 1.3235 1.3235 1.7374 1.7374 3.8106 3.8106 3.9426 3.9426 k = 0.4182-0.2247 0.1088 ( 4166 PWs) bands (ev): -70.8675 -70.8675 -42.8932 -42.8932 -41.9420 -41.9420 -41.7249 -41.7249 -11.1326 -11.1326 -10.7837 -10.7837 -3.9585 -3.9585 -2.9522 -2.9522 -1.7510 -1.7510 -1.6034 -1.6034 -0.6410 -0.6410 -0.2934 -0.2934 0.7159 0.7159 1.3407 1.3407 1.7497 1.7497 3.7906 3.7906 3.9298 3.9298 k = 0.4091-0.2198 0.1064 ( 4162 PWs) bands (ev): -70.8676 -70.8676 -42.8930 -42.8930 -41.9416 -41.9416 -41.7249 -41.7249 -11.1690 -11.1690 -10.7823 -10.7823 -3.9086 -3.9086 -2.9417 -2.9417 -1.7749 -1.7749 -1.6037 -1.6037 -0.6099 -0.6099 -0.2974 -0.2974 0.7206 0.7206 1.3594 1.3594 1.7626 1.7626 3.7666 3.7666 3.9177 3.9177 k = 0.4000-0.2149 0.1040 ( 4162 PWs) bands (ev): -70.8676 -70.8676 -42.8927 -42.8927 -41.9412 -41.9412 -41.7249 -41.7249 -11.2069 -11.2069 -10.7823 -10.7823 -3.8548 -3.8548 -2.9295 -2.9295 -1.8021 -1.8021 -1.6034 -1.6034 -0.5753 -0.5753 -0.3008 -0.3008 0.7256 0.7256 1.3793 1.3793 1.7759 1.7759 3.7389 3.7389 3.9065 3.9065 k = 0.3909-0.2100 0.1017 ( 4162 PWs) bands (ev): -70.8677 -70.8677 -42.8925 -42.8925 -41.9408 -41.9408 -41.7249 -41.7249 -11.2460 -11.2460 -10.7837 -10.7837 -3.7975 -3.7975 -2.9153 -2.9153 -1.8319 -1.8319 -1.6026 -1.6026 -0.5374 -0.5374 -0.3032 -0.3032 0.7308 0.7308 1.4002 1.4002 1.7894 1.7894 3.7078 3.7078 3.8960 3.8960 k = 0.3818-0.2052 0.0993 ( 4159 PWs) bands (ev): -70.8677 -70.8677 -42.8922 -42.8922 -41.9404 -41.9404 -41.7249 -41.7249 -11.2862 -11.2862 -10.7864 -10.7864 -3.7372 -3.7372 -2.8989 -2.8989 -1.8639 -1.8639 -1.6018 -1.6018 -0.4969 -0.4969 -0.3041 -0.3041 0.7361 0.7361 1.4220 1.4220 1.8030 1.8030 3.6736 3.6736 3.8861 3.8861 k = 0.3727-0.2003 0.0969 ( 4160 PWs) bands (ev): -70.8678 -70.8678 -42.8919 -42.8919 -41.9399 -41.9399 -41.7249 -41.7249 -11.3275 -11.3275 -10.7904 -10.7904 -3.6745 -3.6745 -2.8802 -2.8802 -1.8973 -1.8973 -1.6009 -1.6009 -0.4548 -0.4548 -0.3025 -0.3025 0.7416 0.7416 1.4446 1.4446 1.8165 1.8165 3.6370 3.6370 3.8768 3.8768 k = 0.3636-0.1954 0.0946 ( 4160 PWs) bands (ev): -70.8678 -70.8678 -42.8915 -42.8915 -41.9394 -41.9394 -41.7249 -41.7249 -11.3697 -11.3697 -10.7955 -10.7955 -3.6100 -3.6100 -2.8592 -2.8592 -1.9314 -1.9314 -1.6004 -1.6004 -0.4133 -0.4133 -0.2965 -0.2965 0.7472 0.7472 1.4676 1.4676 1.8298 1.8298 3.5983 3.5983 3.8678 3.8678 k = 0.3545-0.1905 0.0922 ( 4153 PWs) bands (ev): -70.8679 -70.8679 -42.8912 -42.8912 -41.9388 -41.9388 -41.7248 -41.7248 -11.4126 -11.4126 -10.8017 -10.8017 -3.5444 -3.5444 -2.8358 -2.8358 -1.9652 -1.9652 -1.6002 -1.6002 -0.3767 -0.3767 -0.2818 -0.2818 0.7530 0.7530 1.4909 1.4909 1.8426 1.8426 3.5580 3.5580 3.8592 3.8592 k = 0.3455-0.1856 0.0898 ( 4151 PWs) bands (ev): -70.8679 -70.8679 -42.8908 -42.8908 -41.9383 -41.9383 -41.7248 -41.7248 -11.4561 -11.4561 -10.8088 -10.8088 -3.4783 -3.4783 -2.8102 -2.8102 -1.9978 -1.9978 -1.6005 -1.6005 -0.3509 -0.3509 -0.2528 -0.2528 0.7588 0.7588 1.5144 1.5144 1.8550 1.8550 3.5167 3.5167 3.8509 3.8509 k = 0.3364-0.1807 0.0875 ( 4150 PWs) bands (ev): -70.8680 -70.8680 -42.8904 -42.8904 -41.9377 -41.9377 -41.7248 -41.7248 -11.5000 -11.5000 -10.8169 -10.8169 -3.4127 -3.4127 -2.7829 -2.7829 -2.0275 -2.0275 -1.6014 -1.6014 -0.3354 -0.3354 -0.2104 -0.2104 0.7647 0.7647 1.5378 1.5378 1.8668 1.8668 3.4748 3.4748 3.8429 3.8429 k = 0.3273-0.1759 0.0851 ( 4153 PWs) bands (ev): -70.8681 -70.8681 -42.8900 -42.8900 -41.9371 -41.9371 -41.7248 -41.7248 -11.5443 -11.5443 -10.8257 -10.8257 -3.3483 -3.3483 -2.7549 -2.7549 -2.0527 -2.0527 -1.6030 -1.6030 -0.3244 -0.3244 -0.1607 -0.1607 0.7708 0.7708 1.5609 1.5609 1.8780 1.8780 3.4326 3.4326 3.8353 3.8353 k = 0.3182-0.1710 0.0828 ( 4156 PWs) bands (ev): -70.8681 -70.8681 -42.8896 -42.8896 -41.9365 -41.9365 -41.7248 -41.7248 -11.5888 -11.5888 -10.8353 -10.8353 -3.2857 -3.2857 -2.7278 -2.7278 -2.0710 -2.0710 -1.6054 -1.6054 -0.3143 -0.3143 -0.1076 -0.1076 0.7769 0.7769 1.5835 1.5835 1.8885 1.8885 3.3908 3.3908 3.8280 3.8280 k = 0.3091-0.1661 0.0804 ( 4152 PWs) bands (ev): -70.8682 -70.8682 -42.8892 -42.8892 -41.9358 -41.9358 -41.7248 -41.7248 -11.6334 -11.6334 -10.8455 -10.8455 -3.2255 -3.2255 -2.7041 -2.7041 -2.0792 -2.0792 -1.6085 -1.6085 -0.3035 -0.3035 -0.0530 -0.0530 0.7832 0.7832 1.6055 1.6055 1.8983 1.8983 3.3499 3.3499 3.8213 3.8213 k = 0.3000-0.1612 0.0780 ( 4153 PWs) bands (ev): -70.8683 -70.8683 -42.8888 -42.8888 -41.9352 -41.9352 -41.7248 -41.7248 -11.6779 -11.6779 -10.8563 -10.8563 -3.1681 -3.1681 -2.6866 -2.6866 -2.0741 -2.0741 -1.6125 -1.6125 -0.2915 -0.2915 0.0017 0.0017 0.7896 0.7896 1.6265 1.6265 1.9073 1.9073 3.3102 3.3102 3.8151 3.8151 k = 0.2909-0.1563 0.0757 ( 4148 PWs) bands (ev): -70.8684 -70.8684 -42.8883 -42.8883 -41.9345 -41.9345 -41.7248 -41.7248 -11.7222 -11.7222 -10.8676 -10.8676 -3.1135 -3.1135 -2.6780 -2.6780 -2.0532 -2.0532 -1.6172 -1.6172 -0.2778 -0.2778 0.0557 0.0557 0.7963 0.7963 1.6465 1.6465 1.9157 1.9157 3.2725 3.2725 3.8095 3.8095 k = 0.2818-0.1514 0.0733 ( 4145 PWs) bands (ev): -70.8684 -70.8684 -42.8879 -42.8879 -41.9338 -41.9338 -41.7247 -41.7247 -11.7663 -11.7663 -10.8793 -10.8793 -3.0618 -3.0618 -2.6794 -2.6794 -2.0151 -2.0151 -1.6228 -1.6228 -0.2623 -0.2623 0.1083 0.1083 0.8031 0.8031 1.6652 1.6652 1.9232 1.9232 3.2372 3.2372 3.8048 3.8048 k = 0.2727-0.1465 0.0709 ( 4144 PWs) bands (ev): -70.8685 -70.8685 -42.8875 -42.8875 -41.9332 -41.9332 -41.7247 -41.7247 -11.8099 -11.8099 -10.8914 -10.8914 -3.0128 -3.0128 -2.6901 -2.6901 -1.9609 -1.9609 -1.6291 -1.6291 -0.2448 -0.2448 0.1587 0.1587 0.8103 0.8103 1.6823 1.6823 1.9301 1.9301 3.2049 3.2049 3.8009 3.8009 k = 0.2636-0.1417 0.0686 ( 4145 PWs) bands (ev): -70.8686 -70.8686 -42.8870 -42.8870 -41.9325 -41.9325 -41.7247 -41.7247 -11.8531 -11.8531 -10.9037 -10.9037 -2.9665 -2.9665 -2.7082 -2.7082 -1.8927 -1.8927 -1.6362 -1.6362 -0.2254 -0.2254 0.2061 0.2061 0.8179 0.8179 1.6978 1.6978 1.9361 1.9361 3.1762 3.1762 3.7980 3.7980 k = 0.2545-0.1368 0.0662 ( 4140 PWs) bands (ev): -70.8687 -70.8687 -42.8866 -42.8866 -41.9318 -41.9318 -41.7247 -41.7247 -11.8956 -11.8956 -10.9162 -10.9162 -2.9235 -2.9235 -2.7306 -2.7306 -1.8130 -1.8130 -1.6439 -1.6439 -0.2039 -0.2039 0.2497 0.2497 0.8260 0.8260 1.7114 1.7114 1.9413 1.9413 3.1518 3.1518 3.7962 3.7962 k = 0.2455-0.1319 0.0638 ( 4147 PWs) bands (ev): -70.8688 -70.8688 -42.8861 -42.8861 -41.9311 -41.9311 -41.7247 -41.7247 -11.9374 -11.9374 -10.9289 -10.9289 -2.8863 -2.8863 -2.7527 -2.7527 -1.7244 -1.7244 -1.6521 -1.6521 -0.1805 -0.1805 0.2890 0.2890 0.8347 0.8347 1.7230 1.7230 1.9455 1.9455 3.1322 3.1322 3.7955 3.7955 k = 0.2364-0.1270 0.0615 ( 4149 PWs) bands (ev): -70.8688 -70.8688 -42.8857 -42.8857 -41.9304 -41.9304 -41.7246 -41.7246 -11.9784 -11.9784 -10.9417 -10.9417 -2.8639 -2.8639 -2.7636 -2.7636 -1.6624 -1.6624 -1.6270 -1.6270 -0.1551 -0.1551 0.3233 0.3233 0.8441 0.8441 1.7323 1.7323 1.9488 1.9488 3.1180 3.1180 3.7962 3.7962 k = 0.2273-0.1221 0.0591 ( 4149 PWs) bands (ev): -70.8689 -70.8689 -42.8852 -42.8852 -41.9297 -41.9297 -41.7246 -41.7246 -12.0186 -12.0186 -10.9544 -10.9544 -2.8699 -2.8699 -2.7484 -2.7484 -1.6711 -1.6711 -1.5261 -1.5261 -0.1279 -0.1279 0.3519 0.3519 0.8543 0.8543 1.7392 1.7392 1.9509 1.9509 3.1098 3.1098 3.7982 3.7982 k = 0.2182-0.1172 0.0567 ( 4156 PWs) bands (ev): -70.8690 -70.8690 -42.8848 -42.8848 -41.9291 -41.9291 -41.7246 -41.7246 -12.0578 -12.0578 -10.9672 -10.9672 -2.8950 -2.8950 -2.7154 -2.7154 -1.6808 -1.6808 -1.4202 -1.4202 -0.0989 -0.0989 0.3746 0.3746 0.8653 0.8653 1.7436 1.7436 1.9516 1.9516 3.1081 3.1081 3.8016 3.8016 k = 0.2091-0.1123 0.0544 ( 4155 PWs) bands (ev): -70.8691 -70.8691 -42.8844 -42.8844 -41.9284 -41.9284 -41.7246 -41.7246 -12.0959 -12.0959 -10.9798 -10.9798 -2.9267 -2.9267 -2.6762 -2.6762 -1.6908 -1.6908 -1.3109 -1.3109 -0.0682 -0.0682 0.3911 0.3911 0.8770 0.8770 1.7454 1.7454 1.9509 1.9509 3.1132 3.1132 3.8065 3.8065 k = 0.2000-0.1075 0.0520 ( 4152 PWs) bands (ev): -70.8691 -70.8691 -42.8840 -42.8840 -41.9277 -41.9277 -41.7246 -41.7246 -12.1329 -12.1329 -10.9923 -10.9923 -2.9605 -2.9605 -2.6349 -2.6349 -1.7010 -1.7010 -1.1990 -1.1990 -0.0358 -0.0358 0.4014 0.4014 0.8893 0.8893 1.7444 1.7444 1.9486 1.9486 3.1254 3.1254 3.8128 3.8128 k = 0.1909-0.1026 0.0497 ( 4155 PWs) bands (ev): -70.8692 -70.8692 -42.8835 -42.8835 -41.9271 -41.9271 -41.7246 -41.7246 -12.1687 -12.1687 -11.0046 -11.0046 -2.9949 -2.9949 -2.5927 -2.5927 -1.7114 -1.7114 -1.0853 -1.0853 -0.0020 -0.0020 0.4057 0.4057 0.9021 0.9021 1.7408 1.7408 1.9445 1.9445 3.1446 3.1446 3.8205 3.8205 k = 0.1818-0.0977 0.0473 ( 4157 PWs) bands (ev): -70.8693 -70.8693 -42.8831 -42.8831 -41.9265 -41.9265 -41.7246 -41.7246 -12.2032 -12.2032 -11.0166 -11.0166 -3.0291 -3.0291 -2.5499 -2.5499 -1.7218 -1.7218 -0.9704 -0.9704 0.0332 0.0332 0.4043 0.4043 0.9152 0.9152 1.7343 1.7343 1.9385 1.9385 3.1707 3.1707 3.8296 3.8296 k = 0.1727-0.0928 0.0449 ( 4157 PWs) bands (ev): -70.8694 -70.8694 -42.8827 -42.8827 -41.9258 -41.9258 -41.7245 -41.7245 -12.2364 -12.2364 -11.0283 -11.0283 -3.0627 -3.0627 -2.5070 -2.5070 -1.7321 -1.7321 -0.8550 -0.8550 0.0697 0.0697 0.3976 0.3976 0.9283 0.9283 1.7250 1.7250 1.9306 1.9306 3.2035 3.2035 3.8399 3.8399 k = 0.1636-0.0879 0.0426 ( 4161 PWs) bands (ev): -70.8694 -70.8694 -42.8824 -42.8824 -41.9253 -41.9253 -41.7245 -41.7245 -12.2682 -12.2682 -11.0397 -11.0397 -3.0953 -3.0953 -2.4640 -2.4640 -1.7424 -1.7424 -0.7394 -0.7394 0.1073 0.1073 0.3863 0.3863 0.9414 0.9414 1.7130 1.7130 1.9207 1.9207 3.2424 3.2424 3.8515 3.8515 k = 0.1545-0.0830 0.0402 ( 4157 PWs) bands (ev): -70.8695 -70.8695 -42.8820 -42.8820 -41.9247 -41.9247 -41.7245 -41.7245 -12.2986 -12.2986 -11.0507 -11.0507 -3.1268 -3.1268 -2.4211 -2.4211 -1.7523 -1.7523 -0.6243 -0.6243 0.1457 0.1457 0.3710 0.3710 0.9542 0.9542 1.6984 1.6984 1.9089 1.9089 3.2869 3.2869 3.8641 3.8641 k = 0.1455-0.0782 0.0378 ( 4160 PWs) bands (ev): -70.8696 -70.8696 -42.8816 -42.8816 -41.9241 -41.9241 -41.7245 -41.7245 -12.3276 -12.3276 -11.0613 -11.0613 -3.1570 -3.1570 -2.3785 -2.3785 -1.7619 -1.7619 -0.5102 -0.5102 0.1846 0.1846 0.3525 0.3525 0.9668 0.9668 1.6813 1.6813 1.8952 1.8952 3.3362 3.3362 3.8776 3.8776 k = 0.1364-0.0733 0.0355 ( 4156 PWs) bands (ev): -70.8696 -70.8696 -42.8813 -42.8813 -41.9236 -41.9236 -41.7245 -41.7245 -12.3550 -12.3550 -11.0714 -11.0714 -3.1859 -3.1859 -2.3364 -2.3364 -1.7711 -1.7711 -0.3976 -0.3976 0.2231 0.2231 0.3322 0.3322 0.9791 0.9791 1.6617 1.6617 1.8797 1.8797 3.3895 3.3895 3.8918 3.8918 k = 0.1273-0.0684 0.0331 ( 4161 PWs) bands (ev): -70.8697 -70.8697 -42.8810 -42.8810 -41.9231 -41.9231 -41.7244 -41.7244 -12.3808 -12.3808 -11.0810 -11.0810 -3.2132 -3.2132 -2.2950 -2.2950 -1.7798 -1.7798 -0.2871 -0.2871 0.2567 0.2567 0.3151 0.3151 0.9912 0.9912 1.6400 1.6400 1.8624 1.8624 3.4459 3.4459 3.9065 3.9065 k = 0.1182-0.0635 0.0307 ( 4158 PWs) bands (ev): -70.8697 -70.8697 -42.8807 -42.8807 -41.9226 -41.9226 -41.7244 -41.7244 -12.4050 -12.4050 -11.0902 -11.0902 -3.2389 -3.2389 -2.2545 -2.2545 -1.7879 -1.7879 -0.1792 -0.1792 0.2623 0.2623 0.3246 0.3246 1.0031 1.0031 1.6162 1.6162 1.8433 1.8433 3.5046 3.5046 3.9215 3.9215 k = 0.1091-0.0586 0.0284 ( 4161 PWs) bands (ev): -70.8698 -70.8698 -42.8804 -42.8804 -41.9221 -41.9221 -41.7244 -41.7244 -12.4275 -12.4275 -11.0987 -11.0987 -3.2629 -3.2629 -2.2153 -2.2153 -1.7954 -1.7954 -0.0749 -0.0749 0.2415 0.2415 0.3599 0.3599 1.0150 1.0150 1.5907 1.5907 1.8224 1.8224 3.5647 3.5647 3.9365 3.9365 k = 0.1000-0.0537 0.0260 ( 4158 PWs) bands (ev): -70.8698 -70.8698 -42.8801 -42.8801 -41.9217 -41.9217 -41.7244 -41.7244 -12.4484 -12.4484 -11.1067 -11.1067 -3.2852 -3.2852 -2.1777 -2.1777 -1.8020 -1.8020 0.0247 0.0247 0.2161 0.2161 0.4001 0.4001 1.0269 1.0269 1.5638 1.5638 1.7998 1.7998 3.6252 3.6252 3.9515 3.9515 k = 0.0909-0.0488 0.0236 ( 4159 PWs) bands (ev): -70.8699 -70.8699 -42.8798 -42.8798 -41.9213 -41.9213 -41.7244 -41.7244 -12.4675 -12.4675 -11.1140 -11.1140 -3.3058 -3.3058 -2.1420 -2.1420 -1.8078 -1.8078 0.1143 0.1143 0.1947 0.1947 0.4414 0.4414 1.0389 1.0389 1.5357 1.5357 1.7756 1.7756 3.6852 3.6852 3.9661 3.9661 k = 0.0818-0.0440 0.0213 ( 4161 PWs) bands (ev): -70.8699 -70.8699 -42.8796 -42.8796 -41.9210 -41.9210 -41.7244 -41.7244 -12.4850 -12.4850 -11.1208 -11.1208 -3.3245 -3.3245 -2.1087 -2.1087 -1.8126 -1.8126 0.1447 0.1447 0.2272 0.2272 0.4829 0.4829 1.0512 1.0512 1.5071 1.5071 1.7497 1.7497 3.7436 3.7436 3.9801 3.9801 k = 0.0727-0.0391 0.0189 ( 4159 PWs) bands (ev): -70.8700 -70.8700 -42.8794 -42.8794 -41.9206 -41.9206 -41.7243 -41.7243 -12.5006 -12.5006 -11.1268 -11.1268 -3.3413 -3.3413 -2.0781 -2.0781 -1.8163 -1.8163 0.1236 0.1236 0.3054 0.3054 0.5242 0.5242 1.0639 1.0639 1.4785 1.4785 1.7223 1.7223 3.7995 3.7995 3.9933 3.9933 k = 0.0636-0.0342 0.0166 ( 4157 PWs) bands (ev): -70.8700 -70.8700 -42.8792 -42.8792 -41.9203 -41.9203 -41.7243 -41.7243 -12.5144 -12.5144 -11.1322 -11.1322 -3.3562 -3.3562 -2.0506 -2.0506 -1.8188 -1.8188 0.0992 0.0992 0.3807 0.3807 0.5651 0.5651 1.0769 1.0769 1.4507 1.4507 1.6936 1.6936 3.8519 3.8519 4.0056 4.0056 k = 0.0545-0.0293 0.0142 ( 4155 PWs) bands (ev): -70.8700 -70.8700 -42.8790 -42.8790 -41.9201 -41.9201 -41.7243 -41.7243 -12.5265 -12.5265 -11.1369 -11.1369 -3.3692 -3.3692 -2.0268 -2.0268 -1.8200 -1.8200 0.0760 0.0760 0.4478 0.4478 0.6054 0.6054 1.0900 1.0900 1.4246 1.4246 1.6638 1.6638 3.8998 3.8998 4.0168 4.0168 k = 0.0455-0.0244 0.0118 ( 4164 PWs) bands (ev): -70.8701 -70.8701 -42.8789 -42.8789 -41.9199 -41.9199 -41.7243 -41.7243 -12.5367 -12.5367 -11.1410 -11.1410 -3.3802 -3.3802 -2.0069 -2.0069 -1.8201 -1.8201 0.0550 0.0550 0.5047 0.5047 0.6446 0.6446 1.1027 1.1027 1.4016 1.4016 1.6335 1.6335 3.9421 3.9421 4.0267 4.0267 k = 0.0364-0.0195 0.0095 ( 4162 PWs) bands (ev): -70.8701 -70.8701 -42.8788 -42.8788 -41.9197 -41.9197 -41.7243 -41.7243 -12.5451 -12.5451 -11.1443 -11.1443 -3.3892 -3.3892 -1.9910 -1.9910 -1.8192 -1.8192 0.0370 0.0370 0.5505 0.5505 0.6818 0.6818 1.1140 1.1140 1.3834 1.3834 1.6036 1.6036 3.9777 3.9777 4.0355 4.0355 k = 0.0273-0.0147 0.0071 ( 4165 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9196 -41.9196 -41.7243 -41.7243 -12.5516 -12.5516 -11.1468 -11.1468 -3.3963 -3.3963 -1.9791 -1.9791 -1.8176 -1.8176 0.0225 0.0225 0.5852 0.5852 0.7149 0.7149 1.1229 1.1229 1.3713 1.3713 1.5753 1.5753 4.0055 4.0055 4.0434 4.0434 k = 0.0182-0.0098 0.0047 ( 4168 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9195 -41.9195 -41.7243 -41.7243 -12.5563 -12.5563 -11.1487 -11.1487 -3.4013 -3.4013 -1.9709 -1.9709 -1.8159 -1.8159 0.0118 0.0118 0.6093 0.6093 0.7414 0.7414 1.1285 1.1285 1.3656 1.3656 1.5508 1.5508 4.0243 4.0243 4.0507 4.0507 k = 0.0091-0.0049 0.0024 ( 4175 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9194 -41.9194 -41.7243 -41.7243 -12.5591 -12.5591 -11.1498 -11.1498 -3.4044 -3.4044 -1.9662 -1.9662 -1.8147 -1.8147 0.0053 0.0053 0.6235 0.6235 0.7586 0.7586 1.1311 1.1311 1.3647 1.3647 1.5335 1.5335 4.0340 4.0340 4.0569 4.0569 k = 0.0000 0.0000 0.0000 ( 4181 PWs) bands (ev): -70.8701 -70.8701 -42.8787 -42.8787 -41.9194 -41.9194 -41.7243 -41.7243 -12.5600 -12.5600 -11.1502 -11.1502 -3.4054 -3.4054 -1.9647 -1.9647 -1.8143 -1.8143 0.0031 0.0031 0.6282 0.6282 0.7646 0.7646 1.1318 1.1318 1.3650 1.3650 1.5272 1.5272 4.0367 4.0367 4.0595 4.0595 Writing output data file CrS2.save init_run : 3.11s CPU 20.02s WALL ( 1 calls) electrons : 394.90s CPU 404.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 394.87s CPU 404.03s WALL ( 1 calls) v_of_rho : 0.21s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.21s CPU 0.62s WALL ( 1 calls) newd : 0.44s CPU 0.71s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 426 calls) cegterg : 283.23s CPU 285.47s WALL ( 426 calls) Called by sum_band: Called by *egterg: h_psi : 163.18s CPU 168.19s WALL ( 8273 calls) s_psi : 17.37s CPU 17.67s WALL ( 8273 calls) g_psi : 0.48s CPU 0.54s WALL ( 7421 calls) cdiaghg : 63.24s CPU 62.33s WALL ( 7847 calls) cegterg:over : 28.53s CPU 25.89s WALL ( 7421 calls) cegterg:upda : 4.93s CPU 7.13s WALL ( 7421 calls) cegterg:last : 5.48s CPU 6.31s WALL ( 2112 calls) Called by h_psi: h_psi:vloc : 132.35s CPU 136.03s WALL ( 8273 calls) h_psi:vnl : 30.69s CPU 31.65s WALL ( 8273 calls) add_vuspsi : 9.74s CPU 13.08s WALL ( 8273 calls) General routines calbec : 20.92s CPU 18.48s WALL ( 8273 calls) fft : 0.28s CPU 1.59s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 125.48s CPU 127.25s WALL ( 900800 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.03s CPU 7.04s WALL ( 852 calls) Parallel routines fft_scatter : 84.78s CPU 82.70s WALL ( 900823 calls) PWSCF : 7m49.10s CPU 10m11.12s WALL This run was terminated on: 14:14:21 31May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=