Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:40:59 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaSi3Pt.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 99 42 12 2464 677 109 Max 100 43 13 2467 694 111 Sum 3577 1529 449 88737 24617 3949 bravais-lattice index = 14 lattice parameter (alat) = 10.8358 a.u. unit-cell volume = 583.6259 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.835792 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.731900 celldm(5)= -0.731900 celldm(6)= 0.463800 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.463800 0.885940 0.000000 ) a(3) = ( -0.731900 -0.442970 0.517784 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.523512 0.965654 ) b(2) = ( 0.000000 1.128745 0.965654 ) b(3) = ( 0.000000 0.000000 1.931308 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ca 10.00 40.07800 Ca( 1.00) Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0182199), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0364398), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0546597), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0728796), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0910995), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.1093193), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1275392), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1457591), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1639790), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.1821989), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.2004188), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.2186387), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.2368586), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.2550785), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.2732984), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.2915183), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.3097381), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.3279580), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.3461779), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.3643978), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.3826177), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.4008376), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.4190575), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.4372774), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.4554973), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.4737172), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.4919370), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.5101569), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.5283768), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.5465967), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.5648166), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.5830365), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.6012564), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.6194763), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.6376962), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.6559161), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.6741359), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.6923558), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.7105757), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.7287956), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.7470155), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.7652354), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.7834553), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.8016752), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.8198951), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.8381150), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.8563349), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.8745547), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.8927746), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.9109945), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.9292144), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.9474343), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.9656542), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.9656542), wk = 0.0028571 k( 56) = ( -0.0091577 0.0151308 0.9656542), wk = 0.0028571 k( 57) = ( -0.0183153 0.0302616 0.9656542), wk = 0.0028571 k( 58) = ( -0.0274730 0.0453925 0.9656542), wk = 0.0028571 k( 59) = ( -0.0366307 0.0605233 0.9656542), wk = 0.0028571 k( 60) = ( -0.0457883 0.0756541 0.9656542), wk = 0.0028571 k( 61) = ( -0.0549460 0.0907849 0.9656542), wk = 0.0028571 k( 62) = ( -0.0641037 0.1059157 0.9656542), wk = 0.0028571 k( 63) = ( -0.0732614 0.1210466 0.9656542), wk = 0.0028571 k( 64) = ( -0.0824190 0.1361774 0.9656542), wk = 0.0028571 k( 65) = ( -0.0915767 0.1513082 0.9656542), wk = 0.0028571 k( 66) = ( -0.0915767 0.1513082 0.9656542), wk = 0.0028571 k( 67) = ( -0.0981642 0.1621924 0.9529318), wk = 0.0028571 k( 68) = ( -0.1047516 0.1730766 0.9402093), wk = 0.0028571 k( 69) = ( -0.1113391 0.1839608 0.9274869), wk = 0.0028571 k( 70) = ( -0.1179266 0.1948450 0.9147644), wk = 0.0028571 k( 71) = ( -0.1245141 0.2057292 0.9020420), wk = 0.0028571 k( 72) = ( -0.1311015 0.2166134 0.8893195), wk = 0.0028571 k( 73) = ( -0.1376890 0.2274976 0.8765971), wk = 0.0028571 k( 74) = ( -0.1442765 0.2383818 0.8638747), wk = 0.0028571 k( 75) = ( -0.1508639 0.2492660 0.8511522), wk = 0.0028571 k( 76) = ( -0.1574514 0.2601502 0.8384298), wk = 0.0028571 k( 77) = ( -0.1640389 0.2710344 0.8257073), wk = 0.0028571 k( 78) = ( -0.1706264 0.2819186 0.8129849), wk = 0.0028571 k( 79) = ( -0.1772138 0.2928028 0.8002625), wk = 0.0028571 k( 80) = ( -0.1838013 0.3036869 0.7875400), wk = 0.0028571 k( 81) = ( -0.1903888 0.3145711 0.7748176), wk = 0.0028571 k( 82) = ( -0.1969763 0.3254553 0.7620951), wk = 0.0028571 k( 83) = ( -0.2035637 0.3363395 0.7493727), wk = 0.0028571 k( 84) = ( -0.2101512 0.3472237 0.7366503), wk = 0.0028571 k( 85) = ( -0.2167387 0.3581079 0.7239278), wk = 0.0028571 k( 86) = ( -0.2233262 0.3689921 0.7112054), wk = 0.0028571 k( 87) = ( -0.2299136 0.3798763 0.6984829), wk = 0.0028571 k( 88) = ( -0.2365011 0.3907605 0.6857605), wk = 0.0028571 k( 89) = ( -0.2430886 0.4016447 0.6730381), wk = 0.0028571 k( 90) = ( -0.2496760 0.4125289 0.6603156), wk = 0.0028571 k( 91) = ( -0.2562635 0.4234131 0.6475932), wk = 0.0028571 k( 92) = ( -0.2628510 0.4342973 0.6348707), wk = 0.0028571 k( 93) = ( -0.2694385 0.4451815 0.6221483), wk = 0.0028571 k( 94) = ( -0.2760259 0.4560657 0.6094259), wk = 0.0028571 k( 95) = ( -0.2826134 0.4669499 0.5967034), wk = 0.0028571 k( 96) = ( -0.2892009 0.4778341 0.5839810), wk = 0.0028571 k( 97) = ( -0.2957883 0.4887183 0.5712585), wk = 0.0028571 k( 98) = ( -0.2957883 0.4887183 0.5712585), wk = 0.0028571 k( 99) = ( -0.2892153 0.4778579 0.5585639), wk = 0.0028571 k( 100) = ( -0.2826422 0.4669975 0.5458693), wk = 0.0028571 k( 101) = ( -0.2760691 0.4561371 0.5331746), wk = 0.0028571 k( 102) = ( -0.2694960 0.4452766 0.5204800), wk = 0.0028571 k( 103) = ( -0.2629230 0.4344162 0.5077854), wk = 0.0028571 k( 104) = ( -0.2563499 0.4235558 0.4950907), wk = 0.0028571 k( 105) = ( -0.2497768 0.4126954 0.4823961), wk = 0.0028571 k( 106) = ( -0.2432037 0.4018350 0.4697014), wk = 0.0028571 k( 107) = ( -0.2366307 0.3909746 0.4570068), wk = 0.0028571 k( 108) = ( -0.2300576 0.3801142 0.4443122), wk = 0.0028571 k( 109) = ( -0.2234845 0.3692538 0.4316175), wk = 0.0028571 k( 110) = ( -0.2169115 0.3583934 0.4189229), wk = 0.0028571 k( 111) = ( -0.2103384 0.3475330 0.4062283), wk = 0.0028571 k( 112) = ( -0.2037653 0.3366726 0.3935337), wk = 0.0028571 k( 113) = ( -0.1971922 0.3258122 0.3808390), wk = 0.0028571 k( 114) = ( -0.1906192 0.3149518 0.3681444), wk = 0.0028571 k( 115) = ( -0.1840461 0.3040914 0.3554497), wk = 0.0028571 k( 116) = ( -0.1774730 0.2932310 0.3427551), wk = 0.0028571 k( 117) = ( -0.1708999 0.2823706 0.3300605), wk = 0.0028571 k( 118) = ( -0.1643269 0.2715102 0.3173658), wk = 0.0028571 k( 119) = ( -0.1577538 0.2606498 0.3046712), wk = 0.0028571 k( 120) = ( -0.1511807 0.2497893 0.2919766), wk = 0.0028571 k( 121) = ( -0.1446076 0.2389289 0.2792819), wk = 0.0028571 k( 122) = ( -0.1380346 0.2280685 0.2665873), wk = 0.0028571 k( 123) = ( -0.1314615 0.2172081 0.2538927), wk = 0.0028571 k( 124) = ( -0.1248884 0.2063477 0.2411980), wk = 0.0028571 k( 125) = ( -0.1183153 0.1954873 0.2285034), wk = 0.0028571 k( 126) = ( -0.1117423 0.1846269 0.2158088), wk = 0.0028571 k( 127) = ( -0.1051692 0.1737665 0.2031141), wk = 0.0028571 k( 128) = ( -0.0985961 0.1629061 0.1904195), wk = 0.0028571 k( 129) = ( -0.0920230 0.1520457 0.1777249), wk = 0.0028571 k( 130) = ( -0.0854500 0.1411853 0.1650302), wk = 0.0028571 k( 131) = ( -0.0788769 0.1303249 0.1523356), wk = 0.0028571 k( 132) = ( -0.0723038 0.1194645 0.1396410), wk = 0.0028571 k( 133) = ( -0.0657307 0.1086041 0.1269463), wk = 0.0028571 k( 134) = ( -0.0591577 0.0977437 0.1142517), wk = 0.0028571 k( 135) = ( -0.0525846 0.0868833 0.1015571), wk = 0.0028571 k( 136) = ( -0.0460115 0.0760228 0.0888624), wk = 0.0028571 k( 137) = ( -0.0394384 0.0651624 0.0761678), wk = 0.0028571 k( 138) = ( -0.0328654 0.0543020 0.0634732), wk = 0.0028571 k( 139) = ( -0.0262923 0.0434416 0.0507785), wk = 0.0028571 k( 140) = ( -0.0197192 0.0325812 0.0380839), wk = 0.0028571 k( 141) = ( -0.0131462 0.0217208 0.0253893), wk = 0.0028571 k( 142) = ( -0.0065731 0.0108604 0.0126946), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0091702 -0.0000000), wk = 0.0028571 k( 146) = ( 0.0303030 0.0183404 -0.0000000), wk = 0.0028571 k( 147) = ( 0.0454546 0.0275106 -0.0000000), wk = 0.0028571 k( 148) = ( 0.0606061 0.0366808 -0.0000000), wk = 0.0028571 k( 149) = ( 0.0757576 0.0458510 -0.0000000), wk = 0.0028571 k( 150) = ( 0.0909091 0.0550212 -0.0000000), wk = 0.0028571 k( 151) = ( 0.1060606 0.0641914 -0.0000000), wk = 0.0028571 k( 152) = ( 0.1212121 0.0733616 -0.0000000), wk = 0.0028571 k( 153) = ( 0.1363636 0.0825318 0.0000000), wk = 0.0028571 k( 154) = ( 0.1515151 0.0917019 -0.0000000), wk = 0.0028571 k( 155) = ( 0.1666667 0.1008721 -0.0000000), wk = 0.0028571 k( 156) = ( 0.1818182 0.1100423 -0.0000000), wk = 0.0028571 k( 157) = ( 0.1969697 0.1192125 -0.0000000), wk = 0.0028571 k( 158) = ( 0.2121212 0.1283827 -0.0000000), wk = 0.0028571 k( 159) = ( 0.2272727 0.1375529 -0.0000000), wk = 0.0028571 k( 160) = ( 0.2424242 0.1467231 -0.0000000), wk = 0.0028571 k( 161) = ( 0.2575758 0.1558933 -0.0000000), wk = 0.0028571 k( 162) = ( 0.2727273 0.1650635 -0.0000000), wk = 0.0028571 k( 163) = ( 0.2878788 0.1742337 0.0000000), wk = 0.0028571 k( 164) = ( 0.3030303 0.1834039 -0.0000000), wk = 0.0028571 k( 165) = ( 0.3181818 0.1925741 0.0000000), wk = 0.0028571 k( 166) = ( 0.3333333 0.2017443 -0.0000000), wk = 0.0028571 k( 167) = ( 0.3484849 0.2109145 0.0000000), wk = 0.0028571 k( 168) = ( 0.3636364 0.2200847 -0.0000000), wk = 0.0028571 k( 169) = ( 0.3787879 0.2292549 -0.0000000), wk = 0.0028571 k( 170) = ( 0.3939394 0.2384251 -0.0000000), wk = 0.0028571 k( 171) = ( 0.4090909 0.2475953 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4242424 0.2567654 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4393939 0.2659356 -0.0000000), wk = 0.0028571 k( 174) = ( 0.4545455 0.2751058 -0.0000000), wk = 0.0028571 k( 175) = ( 0.4696970 0.2842760 -0.0000000), wk = 0.0028571 k( 176) = ( 0.4848485 0.2934462 -0.0000000), wk = 0.0028571 k( 177) = ( 0.5000000 0.3026164 0.0000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.3026164 0.0000000), wk = 0.0028571 k( 179) = ( 0.4934125 0.3135006 0.0127224), wk = 0.0028571 k( 180) = ( 0.4868250 0.3243848 0.0254449), wk = 0.0028571 k( 181) = ( 0.4802376 0.3352690 0.0381673), wk = 0.0028571 k( 182) = ( 0.4736501 0.3461532 0.0508898), wk = 0.0028571 k( 183) = ( 0.4670626 0.3570374 0.0636122), wk = 0.0028571 k( 184) = ( 0.4604752 0.3679216 0.0763347), wk = 0.0028571 k( 185) = ( 0.4538877 0.3788058 0.0890571), wk = 0.0028571 k( 186) = ( 0.4473002 0.3896900 0.1017795), wk = 0.0028571 k( 187) = ( 0.4407127 0.4005742 0.1145020), wk = 0.0028571 k( 188) = ( 0.4341253 0.4114584 0.1272244), wk = 0.0028571 k( 189) = ( 0.4275378 0.4223426 0.1399469), wk = 0.0028571 k( 190) = ( 0.4209503 0.4332268 0.1526693), wk = 0.0028571 k( 191) = ( 0.4143629 0.4441110 0.1653917), wk = 0.0028571 k( 192) = ( 0.4077754 0.4549952 0.1781142), wk = 0.0028571 k( 193) = ( 0.4011879 0.4658794 0.1908366), wk = 0.0028571 k( 194) = ( 0.3946004 0.4767635 0.2035591), wk = 0.0028571 k( 195) = ( 0.3880130 0.4876477 0.2162815), wk = 0.0028571 k( 196) = ( 0.3814255 0.4985319 0.2290039), wk = 0.0028571 k( 197) = ( 0.3748380 0.5094161 0.2417264), wk = 0.0028571 k( 198) = ( 0.3682506 0.5203003 0.2544488), wk = 0.0028571 k( 199) = ( 0.3616631 0.5311845 0.2671713), wk = 0.0028571 k( 200) = ( 0.3550756 0.5420687 0.2798937), wk = 0.0028571 k( 201) = ( 0.3484881 0.5529529 0.2926161), wk = 0.0028571 k( 202) = ( 0.3419007 0.5638371 0.3053386), wk = 0.0028571 k( 203) = ( 0.3353132 0.5747213 0.3180610), wk = 0.0028571 k( 204) = ( 0.3287257 0.5856055 0.3307835), wk = 0.0028571 k( 205) = ( 0.3221382 0.5964897 0.3435059), wk = 0.0028571 k( 206) = ( 0.3155508 0.6073739 0.3562283), wk = 0.0028571 k( 207) = ( 0.3089633 0.6182581 0.3689508), wk = 0.0028571 k( 208) = ( 0.3023758 0.6291423 0.3816732), wk = 0.0028571 k( 209) = ( 0.2957883 0.6400265 0.3943957), wk = 0.0028571 k( 210) = ( 0.2957883 0.6400265 0.3943957), wk = 0.0028571 k( 211) = ( 0.2793557 0.6358235 0.3993085), wk = 0.0028571 k( 212) = ( 0.2629230 0.6316205 0.4042214), wk = 0.0028571 k( 213) = ( 0.2464903 0.6274175 0.4091343), wk = 0.0028571 k( 214) = ( 0.2300576 0.6232145 0.4140471), wk = 0.0028571 k( 215) = ( 0.2136249 0.6190115 0.4189600), wk = 0.0028571 k( 216) = ( 0.1971922 0.6148084 0.4238728), wk = 0.0028571 k( 217) = ( 0.1807595 0.6106054 0.4287857), wk = 0.0028571 k( 218) = ( 0.1643269 0.6064024 0.4336985), wk = 0.0028571 k( 219) = ( 0.1478942 0.6021994 0.4386114), wk = 0.0028571 k( 220) = ( 0.1314615 0.5979964 0.4435242), wk = 0.0028571 k( 221) = ( 0.1150288 0.5937934 0.4484371), wk = 0.0028571 k( 222) = ( 0.0985961 0.5895904 0.4533500), wk = 0.0028571 k( 223) = ( 0.0821634 0.5853874 0.4582628), wk = 0.0028571 k( 224) = ( 0.0657307 0.5811844 0.4631757), wk = 0.0028571 k( 225) = ( 0.0492981 0.5769814 0.4680885), wk = 0.0028571 k( 226) = ( 0.0328654 0.5727784 0.4730014), wk = 0.0028571 k( 227) = ( 0.0164327 0.5685754 0.4779142), wk = 0.0028571 k( 228) = ( 0.0000000 0.5643724 0.4828271), wk = 0.0028571 k( 229) = ( 0.0000000 0.5643724 0.4828271), wk = 0.0028571 k( 230) = ( 0.0065790 0.5535023 0.4955331), wk = 0.0028571 k( 231) = ( 0.0131579 0.5426322 0.5082390), wk = 0.0028571 k( 232) = ( 0.0197368 0.5317621 0.5209450), wk = 0.0028571 k( 233) = ( 0.0263158 0.5208919 0.5336510), wk = 0.0028571 k( 234) = ( 0.0328947 0.5100218 0.5463570), wk = 0.0028571 k( 235) = ( 0.0394737 0.4991517 0.5590629), wk = 0.0028571 k( 236) = ( 0.0460526 0.4882816 0.5717689), wk = 0.0028571 k( 237) = ( 0.0526316 0.4774115 0.5844749), wk = 0.0028571 k( 238) = ( 0.0592105 0.4665414 0.5971809), wk = 0.0028571 k( 239) = ( 0.0657895 0.4556713 0.6098869), wk = 0.0028571 k( 240) = ( 0.0723684 0.4448012 0.6225928), wk = 0.0028571 k( 241) = ( 0.0789474 0.4339311 0.6352988), wk = 0.0028571 k( 242) = ( 0.0855263 0.4230609 0.6480048), wk = 0.0028571 k( 243) = ( 0.0921053 0.4121908 0.6607108), wk = 0.0028571 k( 244) = ( 0.0986842 0.4013207 0.6734167), wk = 0.0028571 k( 245) = ( 0.1052632 0.3904506 0.6861227), wk = 0.0028571 k( 246) = ( 0.1118421 0.3795805 0.6988287), wk = 0.0028571 k( 247) = ( 0.1184210 0.3687104 0.7115347), wk = 0.0028571 k( 248) = ( 0.1250000 0.3578403 0.7242406), wk = 0.0028571 k( 249) = ( 0.1315790 0.3469702 0.7369466), wk = 0.0028571 k( 250) = ( 0.1381579 0.3361001 0.7496526), wk = 0.0028571 k( 251) = ( 0.1447368 0.3252300 0.7623586), wk = 0.0028571 k( 252) = ( 0.1513158 0.3143599 0.7750646), wk = 0.0028571 k( 253) = ( 0.1578947 0.3034897 0.7877705), wk = 0.0028571 k( 254) = ( 0.1644737 0.2926196 0.8004765), wk = 0.0028571 k( 255) = ( 0.1710526 0.2817495 0.8131825), wk = 0.0028571 k( 256) = ( 0.1776316 0.2708794 0.8258885), wk = 0.0028571 k( 257) = ( 0.1842105 0.2600093 0.8385944), wk = 0.0028571 k( 258) = ( 0.1907895 0.2491392 0.8513004), wk = 0.0028571 k( 259) = ( 0.1973684 0.2382691 0.8640064), wk = 0.0028571 k( 260) = ( 0.2039474 0.2273990 0.8767124), wk = 0.0028571 k( 261) = ( 0.2105263 0.2165289 0.8894183), wk = 0.0028571 k( 262) = ( 0.2171053 0.2056588 0.9021243), wk = 0.0028571 k( 263) = ( 0.2236842 0.1947886 0.9148303), wk = 0.0028571 k( 264) = ( 0.2302632 0.1839185 0.9275363), wk = 0.0028571 k( 265) = ( 0.2368421 0.1730484 0.9402423), wk = 0.0028571 k( 266) = ( 0.2434210 0.1621783 0.9529482), wk = 0.0028571 k( 267) = ( 0.2500000 0.1513082 0.9656542), wk = 0.0028571 k( 268) = ( 0.2500000 0.1513082 0.9656542), wk = 0.0028571 k( 269) = ( 0.2631579 0.1592718 0.9563456), wk = 0.0028571 k( 270) = ( 0.2763158 0.1672354 0.9470371), wk = 0.0028571 k( 271) = ( 0.2894737 0.1751990 0.9377285), wk = 0.0028571 k( 272) = ( 0.3026316 0.1831626 0.9284199), wk = 0.0028571 k( 273) = ( 0.3157895 0.1911262 0.9191113), wk = 0.0028571 k( 274) = ( 0.3289474 0.1990898 0.9098028), wk = 0.0028571 k( 275) = ( 0.3421053 0.2070533 0.9004942), wk = 0.0028571 k( 276) = ( 0.3552632 0.2150169 0.8911856), wk = 0.0028571 k( 277) = ( 0.3684211 0.2229805 0.8818771), wk = 0.0028571 k( 278) = ( 0.3815789 0.2309441 0.8725685), wk = 0.0028571 k( 279) = ( 0.3947368 0.2389077 0.8632599), wk = 0.0028571 k( 280) = ( 0.4078947 0.2468713 0.8539514), wk = 0.0028571 k( 281) = ( 0.4210526 0.2548349 0.8446428), wk = 0.0028571 k( 282) = ( 0.4342105 0.2627985 0.8353342), wk = 0.0028571 k( 283) = ( 0.4473684 0.2707621 0.8260256), wk = 0.0028571 k( 284) = ( 0.4605263 0.2787257 0.8167171), wk = 0.0028571 k( 285) = ( 0.4736842 0.2866892 0.8074085), wk = 0.0028571 k( 286) = ( 0.4868421 0.2946528 0.7980999), wk = 0.0028571 k( 287) = ( 0.5000000 0.3026164 0.7887913), wk = 0.0028571 k( 288) = ( 0.5000000 0.3026164 0.7887913), wk = 0.0028571 k( 289) = ( 0.5000000 0.3026164 0.7708643), wk = 0.0028571 k( 290) = ( 0.5000000 0.3026164 0.7529372), wk = 0.0028571 k( 291) = ( 0.5000000 0.3026164 0.7350101), wk = 0.0028571 k( 292) = ( 0.5000000 0.3026164 0.7170830), wk = 0.0028571 k( 293) = ( 0.5000000 0.3026164 0.6991560), wk = 0.0028571 k( 294) = ( 0.5000000 0.3026164 0.6812289), wk = 0.0028571 k( 295) = ( 0.5000000 0.3026164 0.6633018), wk = 0.0028571 k( 296) = ( 0.5000000 0.3026164 0.6453747), wk = 0.0028571 k( 297) = ( 0.5000000 0.3026164 0.6274477), wk = 0.0028571 k( 298) = ( 0.5000000 0.3026164 0.6095206), wk = 0.0028571 k( 299) = ( 0.5000000 0.3026164 0.5915935), wk = 0.0028571 k( 300) = ( 0.5000000 0.3026164 0.5736664), wk = 0.0028571 k( 301) = ( 0.5000000 0.3026164 0.5557394), wk = 0.0028571 k( 302) = ( 0.5000000 0.3026164 0.5378123), wk = 0.0028571 k( 303) = ( 0.5000000 0.3026164 0.5198852), wk = 0.0028571 k( 304) = ( 0.5000000 0.3026164 0.5019581), wk = 0.0028571 k( 305) = ( 0.5000000 0.3026164 0.4840311), wk = 0.0028571 k( 306) = ( 0.5000000 0.3026164 0.4661040), wk = 0.0028571 k( 307) = ( 0.5000000 0.3026164 0.4481769), wk = 0.0028571 k( 308) = ( 0.5000000 0.3026164 0.4302498), wk = 0.0028571 k( 309) = ( 0.5000000 0.3026164 0.4123228), wk = 0.0028571 k( 310) = ( 0.5000000 0.3026164 0.3943957), wk = 0.0028571 k( 311) = ( 0.5000000 0.3026164 0.3764686), wk = 0.0028571 k( 312) = ( 0.5000000 0.3026164 0.3585415), wk = 0.0028571 k( 313) = ( 0.5000000 0.3026164 0.3406145), wk = 0.0028571 k( 314) = ( 0.5000000 0.3026164 0.3226874), wk = 0.0028571 k( 315) = ( 0.5000000 0.3026164 0.3047603), wk = 0.0028571 k( 316) = ( 0.5000000 0.3026164 0.2868332), wk = 0.0028571 k( 317) = ( 0.5000000 0.3026164 0.2689061), wk = 0.0028571 k( 318) = ( 0.5000000 0.3026164 0.2509791), wk = 0.0028571 k( 319) = ( 0.5000000 0.3026164 0.2330520), wk = 0.0028571 k( 320) = ( 0.5000000 0.3026164 0.2151249), wk = 0.0028571 k( 321) = ( 0.5000000 0.3026164 0.1971978), wk = 0.0028571 k( 322) = ( 0.5000000 0.3026164 0.1792708), wk = 0.0028571 k( 323) = ( 0.5000000 0.3026164 0.1613437), wk = 0.0028571 k( 324) = ( 0.5000000 0.3026164 0.1434166), wk = 0.0028571 k( 325) = ( 0.5000000 0.3026164 0.1254895), wk = 0.0028571 k( 326) = ( 0.5000000 0.3026164 0.1075625), wk = 0.0028571 k( 327) = ( 0.5000000 0.3026164 0.0896354), wk = 0.0028571 k( 328) = ( 0.5000000 0.3026164 0.0717083), wk = 0.0028571 k( 329) = ( 0.5000000 0.3026164 0.0537812), wk = 0.0028571 k( 330) = ( 0.5000000 0.3026164 0.0358542), wk = 0.0028571 k( 331) = ( 0.5000000 0.3026164 0.0179271), wk = 0.0028571 k( 332) = ( 0.5000000 0.3026164 0.0000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.9656542), wk = 0.0028571 k( 334) = ( 0.0147059 0.0089005 0.9656542), wk = 0.0028571 k( 335) = ( 0.0294118 0.0178010 0.9656542), wk = 0.0028571 k( 336) = ( 0.0441177 0.0267015 0.9656542), wk = 0.0028571 k( 337) = ( 0.0588235 0.0356019 0.9656542), wk = 0.0028571 k( 338) = ( 0.0735294 0.0445024 0.9656542), wk = 0.0028571 k( 339) = ( 0.0882353 0.0534029 0.9656542), wk = 0.0028571 k( 340) = ( 0.1029412 0.0623034 0.9656542), wk = 0.0028571 k( 341) = ( 0.1176471 0.0712039 0.9656542), wk = 0.0028571 k( 342) = ( 0.1323529 0.0801043 0.9656542), wk = 0.0028571 k( 343) = ( 0.1470588 0.0890048 0.9656542), wk = 0.0028571 k( 344) = ( 0.1617647 0.0979053 0.9656542), wk = 0.0028571 k( 345) = ( 0.1764706 0.1068058 0.9656542), wk = 0.0028571 k( 346) = ( 0.1911765 0.1157063 0.9656542), wk = 0.0028571 k( 347) = ( 0.2058823 0.1246068 0.9656542), wk = 0.0028571 k( 348) = ( 0.2205882 0.1335072 0.9656542), wk = 0.0028571 k( 349) = ( 0.2352941 0.1424077 0.9656542), wk = 0.0028571 k( 350) = ( 0.2500000 0.1513082 0.9656542), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( -0.0091577 0.0091577 0.5000000), wk = 0.0028571 k( 57) = ( -0.0183153 0.0183153 0.5000000), wk = 0.0028571 k( 58) = ( -0.0274730 0.0274730 0.5000000), wk = 0.0028571 k( 59) = ( -0.0366307 0.0366307 0.5000000), wk = 0.0028571 k( 60) = ( -0.0457883 0.0457883 0.5000000), wk = 0.0028571 k( 61) = ( -0.0549460 0.0549460 0.5000000), wk = 0.0028571 k( 62) = ( -0.0641037 0.0641037 0.5000000), wk = 0.0028571 k( 63) = ( -0.0732614 0.0732614 0.5000000), wk = 0.0028571 k( 64) = ( -0.0824190 0.0824190 0.5000000), wk = 0.0028571 k( 65) = ( -0.0915767 0.0915767 0.5000000), wk = 0.0028571 k( 66) = ( -0.0915767 0.0915767 0.5000000), wk = 0.0028571 k( 67) = ( -0.0981642 0.0981642 0.4934125), wk = 0.0028571 k( 68) = ( -0.1047516 0.1047516 0.4868250), wk = 0.0028571 k( 69) = ( -0.1113391 0.1113391 0.4802376), wk = 0.0028571 k( 70) = ( -0.1179266 0.1179266 0.4736501), wk = 0.0028571 k( 71) = ( -0.1245141 0.1245141 0.4670626), wk = 0.0028571 k( 72) = ( -0.1311015 0.1311015 0.4604752), wk = 0.0028571 k( 73) = ( -0.1376890 0.1376890 0.4538877), wk = 0.0028571 k( 74) = ( -0.1442765 0.1442765 0.4473002), wk = 0.0028571 k( 75) = ( -0.1508639 0.1508639 0.4407128), wk = 0.0028571 k( 76) = ( -0.1574514 0.1574514 0.4341253), wk = 0.0028571 k( 77) = ( -0.1640389 0.1640389 0.4275378), wk = 0.0028571 k( 78) = ( -0.1706264 0.1706264 0.4209503), wk = 0.0028571 k( 79) = ( -0.1772138 0.1772138 0.4143629), wk = 0.0028571 k( 80) = ( -0.1838013 0.1838013 0.4077754), wk = 0.0028571 k( 81) = ( -0.1903888 0.1903888 0.4011879), wk = 0.0028571 k( 82) = ( -0.1969763 0.1969763 0.3946004), wk = 0.0028571 k( 83) = ( -0.2035637 0.2035637 0.3880130), wk = 0.0028571 k( 84) = ( -0.2101512 0.2101512 0.3814255), wk = 0.0028571 k( 85) = ( -0.2167387 0.2167387 0.3748380), wk = 0.0028571 k( 86) = ( -0.2233262 0.2233261 0.3682506), wk = 0.0028571 k( 87) = ( -0.2299136 0.2299136 0.3616631), wk = 0.0028571 k( 88) = ( -0.2365011 0.2365011 0.3550756), wk = 0.0028571 k( 89) = ( -0.2430886 0.2430886 0.3484881), wk = 0.0028571 k( 90) = ( -0.2496760 0.2496760 0.3419007), wk = 0.0028571 k( 91) = ( -0.2562635 0.2562635 0.3353132), wk = 0.0028571 k( 92) = ( -0.2628510 0.2628510 0.3287257), wk = 0.0028571 k( 93) = ( -0.2694385 0.2694385 0.3221382), wk = 0.0028571 k( 94) = ( -0.2760259 0.2760259 0.3155508), wk = 0.0028571 k( 95) = ( -0.2826134 0.2826134 0.3089633), wk = 0.0028571 k( 96) = ( -0.2892009 0.2892009 0.3023758), wk = 0.0028571 k( 97) = ( -0.2957883 0.2957883 0.2957883), wk = 0.0028571 k( 98) = ( -0.2957883 0.2957883 0.2957883), wk = 0.0028571 k( 99) = ( -0.2892153 0.2892153 0.2892153), wk = 0.0028571 k( 100) = ( -0.2826422 0.2826422 0.2826422), wk = 0.0028571 k( 101) = ( -0.2760691 0.2760691 0.2760691), wk = 0.0028571 k( 102) = ( -0.2694960 0.2694960 0.2694960), wk = 0.0028571 k( 103) = ( -0.2629230 0.2629230 0.2629230), wk = 0.0028571 k( 104) = ( -0.2563499 0.2563499 0.2563499), wk = 0.0028571 k( 105) = ( -0.2497768 0.2497768 0.2497768), wk = 0.0028571 k( 106) = ( -0.2432037 0.2432037 0.2432037), wk = 0.0028571 k( 107) = ( -0.2366307 0.2366307 0.2366307), wk = 0.0028571 k( 108) = ( -0.2300576 0.2300576 0.2300576), wk = 0.0028571 k( 109) = ( -0.2234845 0.2234845 0.2234845), wk = 0.0028571 k( 110) = ( -0.2169115 0.2169115 0.2169115), wk = 0.0028571 k( 111) = ( -0.2103384 0.2103384 0.2103384), wk = 0.0028571 k( 112) = ( -0.2037653 0.2037653 0.2037653), wk = 0.0028571 k( 113) = ( -0.1971922 0.1971922 0.1971922), wk = 0.0028571 k( 114) = ( -0.1906192 0.1906192 0.1906192), wk = 0.0028571 k( 115) = ( -0.1840461 0.1840461 0.1840461), wk = 0.0028571 k( 116) = ( -0.1774730 0.1774730 0.1774730), wk = 0.0028571 k( 117) = ( -0.1708999 0.1708999 0.1708999), wk = 0.0028571 k( 118) = ( -0.1643269 0.1643269 0.1643269), wk = 0.0028571 k( 119) = ( -0.1577538 0.1577538 0.1577538), wk = 0.0028571 k( 120) = ( -0.1511807 0.1511807 0.1511807), wk = 0.0028571 k( 121) = ( -0.1446076 0.1446076 0.1446076), wk = 0.0028571 k( 122) = ( -0.1380346 0.1380346 0.1380346), wk = 0.0028571 k( 123) = ( -0.1314615 0.1314615 0.1314615), wk = 0.0028571 k( 124) = ( -0.1248884 0.1248884 0.1248884), wk = 0.0028571 k( 125) = ( -0.1183153 0.1183153 0.1183153), wk = 0.0028571 k( 126) = ( -0.1117423 0.1117423 0.1117423), wk = 0.0028571 k( 127) = ( -0.1051692 0.1051692 0.1051692), wk = 0.0028571 k( 128) = ( -0.0985961 0.0985961 0.0985961), wk = 0.0028571 k( 129) = ( -0.0920230 0.0920230 0.0920230), wk = 0.0028571 k( 130) = ( -0.0854500 0.0854500 0.0854500), wk = 0.0028571 k( 131) = ( -0.0788769 0.0788769 0.0788769), wk = 0.0028571 k( 132) = ( -0.0723038 0.0723038 0.0723038), wk = 0.0028571 k( 133) = ( -0.0657307 0.0657307 0.0657307), wk = 0.0028571 k( 134) = ( -0.0591577 0.0591577 0.0591577), wk = 0.0028571 k( 135) = ( -0.0525846 0.0525846 0.0525846), wk = 0.0028571 k( 136) = ( -0.0460115 0.0460115 0.0460115), wk = 0.0028571 k( 137) = ( -0.0394384 0.0394384 0.0394384), wk = 0.0028571 k( 138) = ( -0.0328654 0.0328654 0.0328654), wk = 0.0028571 k( 139) = ( -0.0262923 0.0262923 0.0262923), wk = 0.0028571 k( 140) = ( -0.0197192 0.0197192 0.0197192), wk = 0.0028571 k( 141) = ( -0.0131462 0.0131461 0.0131462), wk = 0.0028571 k( 142) = ( -0.0065731 0.0065731 0.0065731), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0028571 k( 146) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0028571 k( 147) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0028571 k( 148) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0028571 k( 149) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0028571 k( 150) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028571 k( 151) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0028571 k( 152) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0028571 k( 153) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028571 k( 154) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0028571 k( 155) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028571 k( 156) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028571 k( 157) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0028571 k( 158) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0028571 k( 159) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028571 k( 160) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0028571 k( 161) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0028571 k( 162) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028571 k( 163) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0028571 k( 164) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0028571 k( 165) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028571 k( 166) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028571 k( 167) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0028571 k( 168) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028571 k( 169) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0028571 k( 170) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0028571 k( 171) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028571 k( 172) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0028571 k( 173) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0028571 k( 174) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0028571 k( 175) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0028571 k( 176) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0028571 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 179) = ( 0.4934125 0.5065875 -0.4934125), wk = 0.0028571 k( 180) = ( 0.4868250 0.5131750 -0.4868250), wk = 0.0028571 k( 181) = ( 0.4802376 0.5197624 -0.4802376), wk = 0.0028571 k( 182) = ( 0.4736501 0.5263499 -0.4736501), wk = 0.0028571 k( 183) = ( 0.4670626 0.5329374 -0.4670626), wk = 0.0028571 k( 184) = ( 0.4604752 0.5395248 -0.4604752), wk = 0.0028571 k( 185) = ( 0.4538877 0.5461123 -0.4538877), wk = 0.0028571 k( 186) = ( 0.4473002 0.5526998 -0.4473002), wk = 0.0028571 k( 187) = ( 0.4407127 0.5592873 -0.4407127), wk = 0.0028571 k( 188) = ( 0.4341253 0.5658747 -0.4341253), wk = 0.0028571 k( 189) = ( 0.4275378 0.5724622 -0.4275378), wk = 0.0028571 k( 190) = ( 0.4209503 0.5790497 -0.4209503), wk = 0.0028571 k( 191) = ( 0.4143629 0.5856371 -0.4143629), wk = 0.0028571 k( 192) = ( 0.4077754 0.5922246 -0.4077754), wk = 0.0028571 k( 193) = ( 0.4011879 0.5988121 -0.4011879), wk = 0.0028571 k( 194) = ( 0.3946004 0.6053996 -0.3946004), wk = 0.0028571 k( 195) = ( 0.3880130 0.6119870 -0.3880130), wk = 0.0028571 k( 196) = ( 0.3814255 0.6185745 -0.3814255), wk = 0.0028571 k( 197) = ( 0.3748380 0.6251620 -0.3748380), wk = 0.0028571 k( 198) = ( 0.3682506 0.6317495 -0.3682506), wk = 0.0028571 k( 199) = ( 0.3616631 0.6383369 -0.3616631), wk = 0.0028571 k( 200) = ( 0.3550756 0.6449244 -0.3550756), wk = 0.0028571 k( 201) = ( 0.3484881 0.6515119 -0.3484881), wk = 0.0028571 k( 202) = ( 0.3419007 0.6580993 -0.3419007), wk = 0.0028571 k( 203) = ( 0.3353132 0.6646868 -0.3353132), wk = 0.0028571 k( 204) = ( 0.3287257 0.6712743 -0.3287257), wk = 0.0028571 k( 205) = ( 0.3221382 0.6778618 -0.3221382), wk = 0.0028571 k( 206) = ( 0.3155508 0.6844492 -0.3155508), wk = 0.0028571 k( 207) = ( 0.3089633 0.6910367 -0.3089633), wk = 0.0028571 k( 208) = ( 0.3023758 0.6976242 -0.3023758), wk = 0.0028571 k( 209) = ( 0.2957883 0.7042116 -0.2957884), wk = 0.0028571 k( 210) = ( 0.2957883 0.7042116 -0.2957884), wk = 0.0028571 k( 211) = ( 0.2793557 0.6928666 -0.2793557), wk = 0.0028571 k( 212) = ( 0.2629230 0.6815215 -0.2629230), wk = 0.0028571 k( 213) = ( 0.2464903 0.6701764 -0.2464903), wk = 0.0028571 k( 214) = ( 0.2300576 0.6588313 -0.2300576), wk = 0.0028571 k( 215) = ( 0.2136249 0.6474862 -0.2136249), wk = 0.0028571 k( 216) = ( 0.1971922 0.6361411 -0.1971922), wk = 0.0028571 k( 217) = ( 0.1807595 0.6247960 -0.1807595), wk = 0.0028571 k( 218) = ( 0.1643269 0.6134509 -0.1643269), wk = 0.0028571 k( 219) = ( 0.1478942 0.6021058 -0.1478942), wk = 0.0028571 k( 220) = ( 0.1314615 0.5907607 -0.1314615), wk = 0.0028571 k( 221) = ( 0.1150288 0.5794156 -0.1150288), wk = 0.0028571 k( 222) = ( 0.0985961 0.5680705 -0.0985961), wk = 0.0028571 k( 223) = ( 0.0821634 0.5567255 -0.0821634), wk = 0.0028571 k( 224) = ( 0.0657307 0.5453804 -0.0657307), wk = 0.0028571 k( 225) = ( 0.0492981 0.5340353 -0.0492981), wk = 0.0028571 k( 226) = ( 0.0328654 0.5226902 -0.0328654), wk = 0.0028571 k( 227) = ( 0.0164327 0.5113451 -0.0164327), wk = 0.0028571 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 229) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 230) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0028571 k( 231) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028571 k( 232) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028571 k( 233) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028571 k( 234) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028571 k( 235) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028571 k( 236) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028571 k( 237) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028571 k( 238) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028571 k( 239) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028571 k( 240) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028571 k( 241) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028571 k( 242) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028571 k( 243) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028571 k( 244) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028571 k( 245) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028571 k( 246) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028571 k( 247) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0028571 k( 248) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028571 k( 249) = ( 0.1315790 0.3684210 0.1315790), wk = 0.0028571 k( 250) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028571 k( 251) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028571 k( 252) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028571 k( 253) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028571 k( 254) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028571 k( 255) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028571 k( 256) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028571 k( 257) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028571 k( 258) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028571 k( 259) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028571 k( 260) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028571 k( 261) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028571 k( 262) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028571 k( 263) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028571 k( 264) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028571 k( 265) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028571 k( 266) = ( 0.2434210 0.2565790 0.2434210), wk = 0.0028571 k( 267) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 269) = ( 0.2631579 0.2631579 0.2320223), wk = 0.0028571 k( 270) = ( 0.2763158 0.2763158 0.2140446), wk = 0.0028571 k( 271) = ( 0.2894737 0.2894737 0.1960668), wk = 0.0028571 k( 272) = ( 0.3026316 0.3026316 0.1780891), wk = 0.0028571 k( 273) = ( 0.3157895 0.3157895 0.1601114), wk = 0.0028571 k( 274) = ( 0.3289474 0.3289474 0.1421337), wk = 0.0028571 k( 275) = ( 0.3421053 0.3421053 0.1241559), wk = 0.0028571 k( 276) = ( 0.3552632 0.3552632 0.1061782), wk = 0.0028571 k( 277) = ( 0.3684211 0.3684211 0.0882005), wk = 0.0028571 k( 278) = ( 0.3815789 0.3815789 0.0702228), wk = 0.0028571 k( 279) = ( 0.3947368 0.3947368 0.0522451), wk = 0.0028571 k( 280) = ( 0.4078947 0.4078947 0.0342673), wk = 0.0028571 k( 281) = ( 0.4210526 0.4210526 0.0162896), wk = 0.0028571 k( 282) = ( 0.4342105 0.4342105 -0.0016881), wk = 0.0028571 k( 283) = ( 0.4473684 0.4473684 -0.0196658), wk = 0.0028571 k( 284) = ( 0.4605263 0.4605263 -0.0376435), wk = 0.0028571 k( 285) = ( 0.4736842 0.4736842 -0.0556213), wk = 0.0028571 k( 286) = ( 0.4868421 0.4868421 -0.0735990), wk = 0.0028571 k( 287) = ( 0.5000000 0.5000000 -0.0915767), wk = 0.0028571 k( 288) = ( 0.5000000 0.5000000 -0.0915767), wk = 0.0028571 k( 289) = ( 0.5000000 0.5000000 -0.1008590), wk = 0.0028571 k( 290) = ( 0.5000000 0.5000000 -0.1101414), wk = 0.0028571 k( 291) = ( 0.5000000 0.5000000 -0.1194237), wk = 0.0028571 k( 292) = ( 0.5000000 0.5000000 -0.1287061), wk = 0.0028571 k( 293) = ( 0.5000000 0.5000000 -0.1379884), wk = 0.0028571 k( 294) = ( 0.5000000 0.5000000 -0.1472708), wk = 0.0028571 k( 295) = ( 0.5000000 0.5000000 -0.1565531), wk = 0.0028571 k( 296) = ( 0.5000000 0.5000000 -0.1658355), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 -0.1751178), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 -0.1844002), wk = 0.0028571 k( 299) = ( 0.5000000 0.5000000 -0.1936825), wk = 0.0028571 k( 300) = ( 0.5000000 0.5000000 -0.2029649), wk = 0.0028571 k( 301) = ( 0.5000000 0.5000000 -0.2122472), wk = 0.0028571 k( 302) = ( 0.5000000 0.5000000 -0.2215296), wk = 0.0028571 k( 303) = ( 0.5000000 0.5000000 -0.2308119), wk = 0.0028571 k( 304) = ( 0.5000000 0.5000000 -0.2400943), wk = 0.0028571 k( 305) = ( 0.5000000 0.5000000 -0.2493766), wk = 0.0028571 k( 306) = ( 0.5000000 0.5000000 -0.2586590), wk = 0.0028571 k( 307) = ( 0.5000000 0.5000000 -0.2679413), wk = 0.0028571 k( 308) = ( 0.5000000 0.5000000 -0.2772236), wk = 0.0028571 k( 309) = ( 0.5000000 0.5000000 -0.2865060), wk = 0.0028571 k( 310) = ( 0.5000000 0.5000000 -0.2957883), wk = 0.0028571 k( 311) = ( 0.5000000 0.5000000 -0.3050707), wk = 0.0028571 k( 312) = ( 0.5000000 0.5000000 -0.3143530), wk = 0.0028571 k( 313) = ( 0.5000000 0.5000000 -0.3236354), wk = 0.0028571 k( 314) = ( 0.5000000 0.5000000 -0.3329177), wk = 0.0028571 k( 315) = ( 0.5000000 0.5000000 -0.3422001), wk = 0.0028571 k( 316) = ( 0.5000000 0.5000000 -0.3514824), wk = 0.0028571 k( 317) = ( 0.5000000 0.5000000 -0.3607648), wk = 0.0028571 k( 318) = ( 0.5000000 0.5000000 -0.3700471), wk = 0.0028571 k( 319) = ( 0.5000000 0.5000000 -0.3793295), wk = 0.0028571 k( 320) = ( 0.5000000 0.5000000 -0.3886118), wk = 0.0028571 k( 321) = ( 0.5000000 0.5000000 -0.3978942), wk = 0.0028571 k( 322) = ( 0.5000000 0.5000000 -0.4071765), wk = 0.0028571 k( 323) = ( 0.5000000 0.5000000 -0.4164589), wk = 0.0028571 k( 324) = ( 0.5000000 0.5000000 -0.4257412), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.4350236), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 -0.4443059), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.4535883), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 -0.4628706), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 -0.4721530), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 -0.4814353), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 -0.4907177), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 334) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0028571 k( 335) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0028571 k( 336) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0028571 k( 337) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0028571 k( 338) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0028571 k( 339) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0028571 k( 340) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0028571 k( 341) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0028571 k( 342) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0028571 k( 343) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0028571 k( 344) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0028571 k( 345) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0028571 k( 346) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0028571 k( 347) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0028571 k( 348) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0028571 k( 349) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0028571 k( 350) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 Dense grid: 88737 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 24617 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 182, 40) NL pseudopotentials 0.24 Mb ( 91, 170) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2465) G-vector shells 0.01 Mb ( 1121) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 182, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.21 Mb ( 170, 2, 40) The potential is recalculated from file : ./CaSi3Pt.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.4 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 17.9 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.8 secs Computing kpt #: 23 total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.5 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.9 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.7 secs Computing kpt #: 29 total cpu time spent up to now is 29.8 secs Computing kpt #: 30 total cpu time spent up to now is 30.9 secs Computing kpt #: 31 total cpu time spent up to now is 31.9 secs Computing kpt #: 32 total cpu time spent up to now is 32.8 secs Computing kpt #: 33 total cpu time spent up to now is 34.1 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.5 secs Computing kpt #: 35 total cpu time spent up to now is 36.9 secs Computing kpt #: 36 total cpu time spent up to now is 38.1 secs Computing kpt #: 37 total cpu time spent up to now is 39.2 secs Computing kpt #: 38 total cpu time spent up to now is 40.3 secs Computing kpt #: 39 total cpu time spent up to now is 41.2 secs Computing kpt #: 40 total cpu time spent up to now is 42.1 secs Computing kpt #: 41 total cpu time spent up to now is 42.9 secs Computing kpt #: 42 total cpu time spent up to now is 43.6 secs Computing kpt #: 43 total cpu time spent up to now is 44.4 secs Computing kpt #: 44 total cpu time spent up to now is 45.2 secs Computing kpt #: 45 total cpu time spent up to now is 45.9 secs Computing kpt #: 46 total cpu time spent up to now is 46.8 secs Computing kpt #: 47 total cpu time spent up to now is 47.6 secs Computing kpt #: 48 total cpu time spent up to now is 48.5 secs Computing kpt #: 49 total cpu time spent up to now is 49.4 secs Computing kpt #: 50 total cpu time spent up to now is 50.2 secs Computing kpt #: 51 total cpu time spent up to now is 51.1 secs Computing kpt #: 52 total cpu time spent up to now is 51.9 secs Computing kpt #: 53 total cpu time spent up to now is 52.8 secs Computing kpt #: 54 total cpu time spent up to now is 53.7 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 55.4 secs Computing kpt #: 57 total cpu time spent up to now is 56.2 secs Computing kpt #: 58 total cpu time spent up to now is 57.1 secs Computing kpt #: 59 total cpu time spent up to now is 58.0 secs Computing kpt #: 60 total cpu time spent up to now is 58.9 secs Computing kpt #: 61 total cpu time spent up to now is 59.8 secs Computing kpt #: 62 total cpu time spent up to now is 60.9 secs Computing kpt #: 63 total cpu time spent up to now is 61.7 secs Computing kpt #: 64 total cpu time spent up to now is 62.5 secs Computing kpt #: 65 total cpu time spent up to now is 63.3 secs Computing kpt #: 66 total cpu time spent up to now is 64.2 secs Computing kpt #: 67 total cpu time spent up to now is 65.0 secs Computing kpt #: 68 total cpu time spent up to now is 65.8 secs Computing kpt #: 69 total cpu time spent up to now is 66.5 secs Computing kpt #: 70 total cpu time spent up to now is 67.2 secs Computing kpt #: 71 total cpu time spent up to now is 68.0 secs Computing kpt #: 72 total cpu time spent up to now is 68.7 secs Computing kpt #: 73 total cpu time spent up to now is 69.4 secs Computing kpt #: 74 total cpu time spent up to now is 70.2 secs Computing kpt #: 75 total cpu time spent up to now is 70.9 secs Computing kpt #: 76 total cpu time spent up to now is 71.6 secs Computing kpt #: 77 total cpu time spent up to now is 72.3 secs Computing kpt #: 78 total cpu time spent up to now is 73.0 secs Computing kpt #: 79 total cpu time spent up to now is 73.9 secs Computing kpt #: 80 total cpu time spent up to now is 74.7 secs Computing kpt #: 81 total cpu time spent up to now is 75.5 secs Computing kpt #: 82 total cpu time spent up to now is 76.4 secs Computing kpt #: 83 total cpu time spent up to now is 77.2 secs Computing kpt #: 84 total cpu time spent up to now is 78.1 secs Computing kpt #: 85 total cpu time spent up to now is 78.9 secs Computing kpt #: 86 total cpu time spent up to now is 79.7 secs Computing kpt #: 87 total cpu time spent up to now is 80.6 secs Computing kpt #: 88 total cpu time spent up to now is 81.4 secs Computing kpt #: 89 total cpu time spent up to now is 82.3 secs Computing kpt #: 90 total cpu time spent up to now is 83.1 secs Computing kpt #: 91 total cpu time spent up to now is 84.0 secs Computing kpt #: 92 total cpu time spent up to now is 84.9 secs Computing kpt #: 93 total cpu time spent up to now is 85.7 secs Computing kpt #: 94 total cpu time spent up to now is 86.6 secs Computing kpt #: 95 total cpu time spent up to now is 87.5 secs Computing kpt #: 96 total cpu time spent up to now is 88.4 secs Computing kpt #: 97 total cpu time spent up to now is 89.2 secs Computing kpt #: 98 total cpu time spent up to now is 90.0 secs Computing kpt #: 99 total cpu time spent up to now is 90.9 secs Computing kpt #: 100 total cpu time spent up to now is 91.8 secs Computing kpt #: 101 total cpu time spent up to now is 92.6 secs Computing kpt #: 102 total cpu time spent up to now is 93.4 secs Computing kpt #: 103 total cpu time spent up to now is 94.3 secs Computing kpt #: 104 total cpu time spent up to now is 95.2 secs Computing kpt #: 105 total cpu time spent up to now is 96.1 secs Computing kpt #: 106 total cpu time spent up to now is 97.0 secs Computing kpt #: 107 total cpu time spent up to now is 98.0 secs Computing kpt #: 108 total cpu time spent up to now is 98.9 secs Computing kpt #: 109 total cpu time spent up to now is 99.8 secs Computing kpt #: 110 total cpu time spent up to now is 100.6 secs Computing kpt #: 111 total cpu time spent up to now is 101.4 secs Computing kpt #: 112 total cpu time spent up to now is 102.2 secs Computing kpt #: 113 total cpu time spent up to now is 103.0 secs Computing kpt #: 114 total cpu time spent up to now is 103.8 secs Computing kpt #: 115 total cpu time spent up to now is 104.7 secs Computing kpt #: 116 total cpu time spent up to now is 105.6 secs Computing kpt #: 117 total cpu time spent up to now is 106.3 secs Computing kpt #: 118 total cpu time spent up to now is 107.1 secs Computing kpt #: 119 total cpu time spent up to now is 108.0 secs Computing kpt #: 120 total cpu time spent up to now is 108.8 secs Computing kpt #: 121 total cpu time spent up to now is 109.6 secs Computing kpt #: 122 total cpu time spent up to now is 110.4 secs Computing kpt #: 123 total cpu time spent up to now is 111.1 secs Computing kpt #: 124 total cpu time spent up to now is 111.8 secs Computing kpt #: 125 total cpu time spent up to now is 112.5 secs Computing kpt #: 126 total cpu time spent up to now is 113.3 secs Computing kpt #: 127 total cpu time spent up to now is 114.1 secs Computing kpt #: 128 total cpu time spent up to now is 114.9 secs Computing kpt #: 129 total cpu time spent up to now is 115.7 secs Computing kpt #: 130 total cpu time spent up to now is 116.7 secs Computing kpt #: 131 total cpu time spent up to now is 117.9 secs Computing kpt #: 132 total cpu time spent up to now is 119.3 secs Computing kpt #: 133 total cpu time spent up to now is 120.6 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.0 secs Computing kpt #: 135 total cpu time spent up to now is 123.3 secs Computing kpt #: 136 total cpu time spent up to now is 124.6 secs Computing kpt #: 137 total cpu time spent up to now is 125.6 secs Computing kpt #: 138 total cpu time spent up to now is 126.7 secs Computing kpt #: 139 total cpu time spent up to now is 127.8 secs Computing kpt #: 140 total cpu time spent up to now is 128.7 secs Computing kpt #: 141 total cpu time spent up to now is 129.7 secs Computing kpt #: 142 total cpu time spent up to now is 130.7 secs Computing kpt #: 143 total cpu time spent up to now is 131.8 secs Computing kpt #: 144 total cpu time spent up to now is 132.9 secs Computing kpt #: 145 total cpu time spent up to now is 133.9 secs Computing kpt #: 146 total cpu time spent up to now is 134.9 secs Computing kpt #: 147 total cpu time spent up to now is 136.0 secs Computing kpt #: 148 total cpu time spent up to now is 137.2 secs Computing kpt #: 149 total cpu time spent up to now is 138.4 secs Computing kpt #: 150 total cpu time spent up to now is 139.8 secs Computing kpt #: 151 total cpu time spent up to now is 141.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.6 secs Computing kpt #: 153 total cpu time spent up to now is 143.7 secs Computing kpt #: 154 total cpu time spent up to now is 144.6 secs Computing kpt #: 155 total cpu time spent up to now is 145.6 secs Computing kpt #: 156 total cpu time spent up to now is 146.4 secs Computing kpt #: 157 total cpu time spent up to now is 147.3 secs Computing kpt #: 158 total cpu time spent up to now is 148.6 secs Computing kpt #: 159 total cpu time spent up to now is 149.7 secs Computing kpt #: 160 total cpu time spent up to now is 150.6 secs Computing kpt #: 161 total cpu time spent up to now is 151.4 secs Computing kpt #: 162 total cpu time spent up to now is 152.2 secs Computing kpt #: 163 total cpu time spent up to now is 153.1 secs Computing kpt #: 164 total cpu time spent up to now is 153.9 secs Computing kpt #: 165 total cpu time spent up to now is 154.7 secs Computing kpt #: 166 total cpu time spent up to now is 155.6 secs Computing kpt #: 167 total cpu time spent up to now is 156.3 secs Computing kpt #: 168 total cpu time spent up to now is 157.1 secs Computing kpt #: 169 total cpu time spent up to now is 157.9 secs Computing kpt #: 170 total cpu time spent up to now is 158.7 secs Computing kpt #: 171 total cpu time spent up to now is 159.4 secs Computing kpt #: 172 total cpu time spent up to now is 160.2 secs Computing kpt #: 173 total cpu time spent up to now is 161.0 secs Computing kpt #: 174 total cpu time spent up to now is 161.7 secs Computing kpt #: 175 total cpu time spent up to now is 162.5 secs Computing kpt #: 176 total cpu time spent up to now is 163.4 secs Computing kpt #: 177 total cpu time spent up to now is 164.2 secs Computing kpt #: 178 total cpu time spent up to now is 165.0 secs Computing kpt #: 179 total cpu time spent up to now is 165.8 secs Computing kpt #: 180 total cpu time spent up to now is 166.5 secs Computing kpt #: 181 total cpu time spent up to now is 167.3 secs Computing kpt #: 182 total cpu time spent up to now is 168.1 secs Computing kpt #: 183 total cpu time spent up to now is 169.0 secs Computing kpt #: 184 total cpu time spent up to now is 169.8 secs Computing kpt #: 185 total cpu time spent up to now is 170.6 secs Computing kpt #: 186 total cpu time spent up to now is 171.4 secs Computing kpt #: 187 total cpu time spent up to now is 172.2 secs Computing kpt #: 188 total cpu time spent up to now is 173.0 secs Computing kpt #: 189 total cpu time spent up to now is 173.8 secs Computing kpt #: 190 total cpu time spent up to now is 174.6 secs Computing kpt #: 191 total cpu time spent up to now is 175.4 secs Computing kpt #: 192 total cpu time spent up to now is 176.1 secs Computing kpt #: 193 total cpu time spent up to now is 176.9 secs Computing kpt #: 194 total cpu time spent up to now is 177.7 secs Computing kpt #: 195 total cpu time spent up to now is 178.4 secs Computing kpt #: 196 total cpu time spent up to now is 179.1 secs Computing kpt #: 197 total cpu time spent up to now is 179.9 secs Computing kpt #: 198 total cpu time spent up to now is 180.6 secs Computing kpt #: 199 total cpu time spent up to now is 181.4 secs Computing kpt #: 200 total cpu time spent up to now is 182.1 secs Computing kpt #: 201 total cpu time spent up to now is 182.9 secs Computing kpt #: 202 total cpu time spent up to now is 183.7 secs Computing kpt #: 203 total cpu time spent up to now is 184.4 secs Computing kpt #: 204 total cpu time spent up to now is 185.2 secs Computing kpt #: 205 total cpu time spent up to now is 186.0 secs Computing kpt #: 206 total cpu time spent up to now is 186.8 secs Computing kpt #: 207 total cpu time spent up to now is 187.7 secs Computing kpt #: 208 total cpu time spent up to now is 188.5 secs Computing kpt #: 209 total cpu time spent up to now is 189.4 secs Computing kpt #: 210 total cpu time spent up to now is 190.2 secs Computing kpt #: 211 total cpu time spent up to now is 191.1 secs Computing kpt #: 212 total cpu time spent up to now is 191.8 secs Computing kpt #: 213 total cpu time spent up to now is 192.6 secs Computing kpt #: 214 total cpu time spent up to now is 193.3 secs Computing kpt #: 215 total cpu time spent up to now is 194.1 secs Computing kpt #: 216 total cpu time spent up to now is 194.9 secs Computing kpt #: 217 total cpu time spent up to now is 195.6 secs Computing kpt #: 218 total cpu time spent up to now is 196.3 secs Computing kpt #: 219 total cpu time spent up to now is 197.0 secs Computing kpt #: 220 total cpu time spent up to now is 197.7 secs Computing kpt #: 221 total cpu time spent up to now is 198.4 secs Computing kpt #: 222 total cpu time spent up to now is 199.1 secs Computing kpt #: 223 total cpu time spent up to now is 199.7 secs Computing kpt #: 224 total cpu time spent up to now is 200.4 secs Computing kpt #: 225 total cpu time spent up to now is 201.0 secs Computing kpt #: 226 total cpu time spent up to now is 201.6 secs Computing kpt #: 227 total cpu time spent up to now is 202.3 secs Computing kpt #: 228 total cpu time spent up to now is 202.9 secs Computing kpt #: 229 total cpu time spent up to now is 203.5 secs Computing kpt #: 230 total cpu time spent up to now is 204.2 secs Computing kpt #: 231 total cpu time spent up to now is 204.9 secs Computing kpt #: 232 total cpu time spent up to now is 205.5 secs Computing kpt #: 233 total cpu time spent up to now is 206.2 secs Computing kpt #: 234 total cpu time spent up to now is 206.8 secs Computing kpt #: 235 total cpu time spent up to now is 207.5 secs Computing kpt #: 236 total cpu time spent up to now is 208.1 secs Computing kpt #: 237 total cpu time spent up to now is 208.8 secs Computing kpt #: 238 total cpu time spent up to now is 209.6 secs Computing kpt #: 239 total cpu time spent up to now is 210.3 secs Computing kpt #: 240 total cpu time spent up to now is 211.1 secs Computing kpt #: 241 total cpu time spent up to now is 212.0 secs Computing kpt #: 242 total cpu time spent up to now is 212.8 secs Computing kpt #: 243 total cpu time spent up to now is 213.6 secs Computing kpt #: 244 total cpu time spent up to now is 214.5 secs Computing kpt #: 245 total cpu time spent up to now is 215.3 secs Computing kpt #: 246 total cpu time spent up to now is 216.1 secs Computing kpt #: 247 total cpu time spent up to now is 216.8 secs Computing kpt #: 248 total cpu time spent up to now is 217.5 secs Computing kpt #: 249 total cpu time spent up to now is 218.2 secs Computing kpt #: 250 total cpu time spent up to now is 218.9 secs Computing kpt #: 251 total cpu time spent up to now is 219.6 secs Computing kpt #: 252 total cpu time spent up to now is 220.2 secs Computing kpt #: 253 total cpu time spent up to now is 220.9 secs Computing kpt #: 254 total cpu time spent up to now is 221.6 secs Computing kpt #: 255 total cpu time spent up to now is 222.3 secs Computing kpt #: 256 total cpu time spent up to now is 223.0 secs Computing kpt #: 257 total cpu time spent up to now is 223.7 secs Computing kpt #: 258 total cpu time spent up to now is 224.4 secs Computing kpt #: 259 total cpu time spent up to now is 225.1 secs Computing kpt #: 260 total cpu time spent up to now is 226.0 secs Computing kpt #: 261 total cpu time spent up to now is 226.8 secs Computing kpt #: 262 total cpu time spent up to now is 227.7 secs Computing kpt #: 263 total cpu time spent up to now is 228.5 secs Computing kpt #: 264 total cpu time spent up to now is 229.3 secs Computing kpt #: 265 total cpu time spent up to now is 230.2 secs Computing kpt #: 266 total cpu time spent up to now is 231.0 secs Computing kpt #: 267 total cpu time spent up to now is 231.8 secs Computing kpt #: 268 total cpu time spent up to now is 232.6 secs Computing kpt #: 269 total cpu time spent up to now is 233.5 secs Computing kpt #: 270 total cpu time spent up to now is 234.2 secs Computing kpt #: 271 total cpu time spent up to now is 235.1 secs Computing kpt #: 272 total cpu time spent up to now is 235.9 secs Computing kpt #: 273 total cpu time spent up to now is 236.7 secs Computing kpt #: 274 total cpu time spent up to now is 237.6 secs Computing kpt #: 275 total cpu time spent up to now is 238.4 secs Computing kpt #: 276 total cpu time spent up to now is 239.2 secs Computing kpt #: 277 total cpu time spent up to now is 240.0 secs Computing kpt #: 278 total cpu time spent up to now is 240.9 secs Computing kpt #: 279 total cpu time spent up to now is 241.7 secs Computing kpt #: 280 total cpu time spent up to now is 242.8 secs Computing kpt #: 281 total cpu time spent up to now is 243.6 secs Computing kpt #: 282 total cpu time spent up to now is 244.7 secs Computing kpt #: 283 total cpu time spent up to now is 245.6 secs Computing kpt #: 284 total cpu time spent up to now is 246.5 secs Computing kpt #: 285 total cpu time spent up to now is 247.2 secs Computing kpt #: 286 total cpu time spent up to now is 248.0 secs Computing kpt #: 287 total cpu time spent up to now is 248.8 secs Computing kpt #: 288 total cpu time spent up to now is 249.6 secs Computing kpt #: 289 total cpu time spent up to now is 250.4 secs Computing kpt #: 290 total cpu time spent up to now is 251.1 secs Computing kpt #: 291 total cpu time spent up to now is 251.9 secs Computing kpt #: 292 total cpu time spent up to now is 252.7 secs Computing kpt #: 293 total cpu time spent up to now is 253.4 secs Computing kpt #: 294 total cpu time spent up to now is 254.1 secs Computing kpt #: 295 total cpu time spent up to now is 254.8 secs Computing kpt #: 296 total cpu time spent up to now is 255.5 secs Computing kpt #: 297 total cpu time spent up to now is 256.2 secs Computing kpt #: 298 total cpu time spent up to now is 256.9 secs Computing kpt #: 299 total cpu time spent up to now is 257.7 secs Computing kpt #: 300 total cpu time spent up to now is 258.3 secs Computing kpt #: 301 total cpu time spent up to now is 259.0 secs Computing kpt #: 302 total cpu time spent up to now is 259.8 secs Computing kpt #: 303 total cpu time spent up to now is 260.5 secs Computing kpt #: 304 total cpu time spent up to now is 261.3 secs Computing kpt #: 305 total cpu time spent up to now is 262.0 secs Computing kpt #: 306 total cpu time spent up to now is 262.7 secs Computing kpt #: 307 total cpu time spent up to now is 263.5 secs Computing kpt #: 308 total cpu time spent up to now is 264.3 secs Computing kpt #: 309 total cpu time spent up to now is 265.0 secs Computing kpt #: 310 total cpu time spent up to now is 265.8 secs Computing kpt #: 311 total cpu time spent up to now is 266.5 secs Computing kpt #: 312 total cpu time spent up to now is 267.3 secs Computing kpt #: 313 total cpu time spent up to now is 268.0 secs Computing kpt #: 314 total cpu time spent up to now is 268.8 secs Computing kpt #: 315 total cpu time spent up to now is 269.5 secs Computing kpt #: 316 total cpu time spent up to now is 270.3 secs Computing kpt #: 317 total cpu time spent up to now is 271.0 secs Computing kpt #: 318 total cpu time spent up to now is 271.7 secs Computing kpt #: 319 total cpu time spent up to now is 272.5 secs Computing kpt #: 320 total cpu time spent up to now is 273.2 secs Computing kpt #: 321 total cpu time spent up to now is 274.0 secs Computing kpt #: 322 total cpu time spent up to now is 274.7 secs Computing kpt #: 323 total cpu time spent up to now is 275.5 secs Computing kpt #: 324 total cpu time spent up to now is 276.2 secs Computing kpt #: 325 total cpu time spent up to now is 277.0 secs Computing kpt #: 326 total cpu time spent up to now is 277.7 secs Computing kpt #: 327 total cpu time spent up to now is 278.5 secs Computing kpt #: 328 total cpu time spent up to now is 279.3 secs Computing kpt #: 329 total cpu time spent up to now is 280.0 secs Computing kpt #: 330 total cpu time spent up to now is 280.9 secs Computing kpt #: 331 total cpu time spent up to now is 281.8 secs Computing kpt #: 332 total cpu time spent up to now is 282.6 secs Computing kpt #: 333 total cpu time spent up to now is 283.5 secs Computing kpt #: 334 total cpu time spent up to now is 284.3 secs Computing kpt #: 335 total cpu time spent up to now is 285.3 secs Computing kpt #: 336 total cpu time spent up to now is 286.1 secs Computing kpt #: 337 total cpu time spent up to now is 286.9 secs Computing kpt #: 338 total cpu time spent up to now is 287.8 secs Computing kpt #: 339 total cpu time spent up to now is 288.7 secs Computing kpt #: 340 total cpu time spent up to now is 289.5 secs Computing kpt #: 341 total cpu time spent up to now is 290.3 secs Computing kpt #: 342 total cpu time spent up to now is 291.0 secs Computing kpt #: 343 total cpu time spent up to now is 291.8 secs Computing kpt #: 344 total cpu time spent up to now is 292.6 secs Computing kpt #: 345 total cpu time spent up to now is 293.4 secs Computing kpt #: 346 total cpu time spent up to now is 294.2 secs Computing kpt #: 347 total cpu time spent up to now is 295.0 secs Computing kpt #: 348 total cpu time spent up to now is 295.9 secs Computing kpt #: 349 total cpu time spent up to now is 296.7 secs Computing kpt #: 350 total cpu time spent up to now is 297.5 secs ethr = 3.13E-08, avg # of iterations = 45.3 total cpu time spent up to now is 297.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7767 -10.7767 -10.7193 -10.7193 -1.4151 -1.4151 3.8482 3.8482 3.8752 3.8752 4.9058 4.9058 5.2103 5.2103 6.4906 6.4906 6.7961 6.7961 7.4869 7.4869 8.1008 8.1008 8.6765 8.6765 8.9420 8.9420 11.0216 11.0216 11.2796 11.2796 11.5299 11.5299 13.0444 13.0444 14.6518 14.6518 k = 0.0000 0.0000 0.0182 ( 3065 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1314 -10.7768 -10.7767 -10.7193 -10.7193 -1.4142 -1.4130 3.8364 3.8541 3.8750 3.8773 4.8988 4.9117 5.1930 5.2262 6.4913 6.4937 6.7920 6.7980 7.4572 7.5114 8.0890 8.1106 8.6524 8.7085 8.9427 8.9484 11.0030 11.0300 11.2661 11.2948 11.5219 11.5245 13.0499 13.0528 14.6508 14.6541 k = 0.0000 0.0000 0.0364 ( 3061 PWs) bands (ev): -29.8302 -29.8302 -11.1316 -11.1314 -10.7769 -10.7766 -10.7195 -10.7194 -1.4104 -1.4080 3.8200 3.8537 3.8757 3.8816 4.8909 4.9161 5.1743 5.2406 6.4955 6.5004 6.7859 6.7978 7.4231 7.5299 8.0757 8.1173 8.6377 8.7470 8.9503 8.9618 10.9774 11.0224 11.2599 11.3082 11.5017 11.5062 13.0692 13.0747 14.6494 14.6565 k = 0.0000 0.0000 0.0547 ( 3065 PWs) bands (ev): -29.8302 -29.8302 -11.1318 -11.1314 -10.7771 -10.7766 -10.7197 -10.7197 -1.4036 -1.4001 3.7995 3.8482 3.8770 3.8867 4.8825 4.9188 5.1545 5.2538 6.5032 6.5107 6.7777 6.7954 7.3858 7.5423 8.0615 8.1201 8.6336 8.7903 8.9646 8.9822 10.9458 10.9942 11.2646 11.3168 11.4732 11.4781 13.1012 13.1091 14.6428 14.6551 k = 0.0000 0.0000 0.0729 ( 3069 PWs) bands (ev): -29.8302 -29.8302 -11.1320 -11.1315 -10.7772 -10.7767 -10.7200 -10.7200 -1.3940 -1.3893 3.7753 3.8383 3.8787 3.8919 4.8737 4.9196 5.1337 5.2658 6.5140 6.5244 6.7673 6.7905 7.3465 7.5487 8.0466 8.1182 8.6403 8.8370 8.9856 9.0094 10.9078 10.9461 11.2749 11.3135 11.4465 11.4473 13.1446 13.1546 14.6241 14.6429 k = 0.0000 0.0000 0.0911 ( 3069 PWs) bands (ev): -29.8301 -29.8301 -11.1322 -11.1316 -10.7774 -10.7767 -10.7205 -10.7204 -1.3814 -1.3756 3.7477 3.8238 3.8808 3.8972 4.8648 4.9185 5.1123 5.2767 6.5278 6.5411 6.7546 6.7828 7.3064 7.5495 8.0311 8.1118 8.6573 8.8846 9.0141 9.0434 10.8631 10.8820 11.2724 11.2854 11.4317 11.4384 13.1980 13.2097 14.5862 14.6125 k = 0.0000 0.0000 0.1093 ( 3068 PWs) bands (ev): -29.8301 -29.8301 -11.1325 -11.1317 -10.7777 -10.7768 -10.7210 -10.7209 -1.3659 -1.3590 3.7169 3.8047 3.8833 3.9026 4.8558 4.9155 5.0910 5.2869 6.5439 6.5607 6.7398 6.7719 7.2669 7.5455 8.0154 8.1015 8.6824 8.9297 9.0517 9.0842 10.8056 10.8114 11.2319 11.2381 11.4495 11.4535 13.2595 13.2729 14.5270 14.5612 k = 0.0000 0.0000 0.1275 ( 3078 PWs) bands (ev): -29.8301 -29.8301 -11.1328 -11.1319 -10.7779 -10.7769 -10.7216 -10.7216 -1.3476 -1.3395 3.6831 3.7809 3.8859 3.9084 4.8464 4.9107 5.0702 5.2965 6.5620 6.5826 6.7227 6.7573 7.2290 7.5375 7.9995 8.0884 8.7132 8.9690 9.1002 9.1316 10.7199 10.7532 11.1635 11.1800 11.4844 11.4937 13.3278 13.3427 14.4501 14.4923 k = 0.0000 0.0000 0.1458 ( 3078 PWs) bands (ev): -29.8300 -29.8300 -11.1331 -11.1321 -10.7782 -10.7770 -10.7223 -10.7222 -1.3263 -1.3171 3.6467 3.7526 3.8888 3.9145 4.8363 4.9042 5.0508 5.3057 6.5817 6.6063 6.7035 6.7385 7.1940 7.5263 7.9835 8.0737 8.7470 9.0011 9.1594 9.1857 10.6271 10.6892 11.0875 11.1104 11.5268 11.5529 13.4012 13.4180 14.3609 14.4113 k = 0.0000 0.0000 0.1640 ( 3074 PWs) bands (ev): -29.8299 -29.8299 -11.1334 -11.1323 -10.7785 -10.7772 -10.7230 -10.7230 -1.3022 -1.2919 3.6077 3.7200 3.8917 3.9209 4.8251 4.8962 5.0336 5.3147 6.6022 6.6306 6.6832 6.7150 7.1628 7.5128 7.9677 8.0581 8.7813 9.0268 9.2263 9.2458 10.5293 10.6202 11.0079 11.0354 11.5793 11.6223 13.4784 13.4976 14.2645 14.3227 k = 0.0000 0.0000 0.1822 ( 3074 PWs) bands (ev): -29.8299 -29.8299 -11.1338 -11.1326 -10.7788 -10.7774 -10.7238 -10.7238 -1.2753 -1.2639 3.5666 3.6836 3.8946 3.9275 4.8121 4.8871 5.0195 5.3237 6.6231 6.6448 6.6721 6.6867 7.1359 7.4977 7.9521 8.0424 8.8141 9.0471 9.2982 9.3109 10.4287 10.5474 10.9278 10.9582 11.6411 11.6999 13.5575 13.5806 14.1651 14.2299 k = 0.0000 0.0000 0.2004 ( 3078 PWs) bands (ev): -29.8298 -29.8298 -11.1342 -11.1329 -10.7791 -10.7776 -10.7248 -10.7247 -1.2455 -1.2330 3.5236 3.6437 3.8972 3.9340 4.7969 4.8771 5.0091 5.3327 6.6263 6.6434 6.6540 6.6925 7.1138 7.4816 7.9368 8.0271 8.8441 9.0622 9.3723 9.3786 10.3279 10.4722 10.8502 10.8812 11.7117 11.7848 13.6354 13.6660 14.0672 14.1353 k = 0.0000 0.0000 0.2186 ( 3086 PWs) bands (ev): -29.8297 -29.8297 -11.1347 -11.1332 -10.7795 -10.7778 -10.7257 -10.7256 -1.2130 -1.1994 3.4789 3.6006 3.8995 3.9404 4.7797 4.8666 5.0027 5.3421 6.5993 6.6158 6.6640 6.7199 7.0962 7.4649 7.9219 8.0123 8.8702 9.0722 9.4450 9.4454 10.2302 10.3956 10.7783 10.8070 11.7907 11.8765 13.7036 13.7527 13.9808 14.0412 k = 0.0000 0.0000 0.2369 ( 3082 PWs) bands (ev): -29.8296 -29.8296 -11.1351 -11.1335 -10.7799 -10.7780 -10.7268 -10.7266 -1.1776 -1.1630 3.4327 3.5550 3.9011 3.9464 4.7605 4.8559 5.0002 5.3518 6.5699 6.5747 6.6827 6.7481 7.0829 7.4481 7.9072 7.9983 8.8916 9.0767 9.5037 9.5140 10.1408 10.3189 10.7162 10.7384 11.8777 11.9744 13.7300 13.8366 13.9386 13.9525 k = 0.0000 0.0000 0.2551 ( 3082 PWs) bands (ev): -29.8295 -29.8295 -11.1356 -11.1339 -10.7803 -10.7783 -10.7278 -10.7277 -1.1395 -1.1239 3.3853 3.5071 3.9020 3.9518 4.7400 4.8452 5.0013 5.3619 6.5306 6.5387 6.6995 6.7761 7.0732 7.4314 7.8930 7.9851 8.9077 9.0755 9.5440 9.5733 10.0673 10.2431 10.6693 10.6797 11.9721 12.0781 13.6807 13.8409 13.9465 13.9750 k = 0.0000 0.0000 0.2733 ( 3086 PWs) bands (ev): -29.8294 -29.8294 -11.1361 -11.1343 -10.7807 -10.7786 -10.7290 -10.7288 -1.0987 -1.0821 3.3369 3.4574 3.9018 3.9563 4.7188 4.8348 5.0055 5.3727 6.4842 6.5063 6.7142 6.8032 7.0666 7.4149 7.8791 7.9727 8.9178 9.0683 9.5532 9.6178 10.0176 10.1688 10.6376 10.6437 12.0735 12.1872 13.5973 13.7582 14.0309 14.0490 k = 0.0000 0.0000 0.2915 ( 3098 PWs) bands (ev): -29.8293 -29.8293 -11.1367 -11.1348 -10.7811 -10.7789 -10.7302 -10.7300 -1.0552 -1.0376 3.2877 3.4062 3.9005 3.9595 4.6976 4.8251 5.0123 5.3840 6.4362 6.4729 6.7262 6.8289 7.0625 7.3989 7.8656 7.9612 8.9207 9.0549 9.5266 9.6426 9.9894 10.0962 10.6204 10.6453 12.1813 12.3013 13.5074 13.6741 14.1205 14.1331 k = 0.0000 0.0000 0.3097 ( 3092 PWs) bands (ev): -29.8292 -29.8292 -11.1372 -11.1352 -10.7815 -10.7792 -10.7314 -10.7312 -1.0091 -0.9905 3.2381 3.3539 3.8978 3.9611 4.6771 4.8161 5.0213 5.3960 6.3871 6.4389 6.7355 6.8527 7.0600 7.3834 7.8523 7.9504 8.9150 9.0354 9.4743 9.6457 9.9667 10.0254 10.6365 10.6770 12.2949 12.4199 13.4185 13.5936 14.2105 14.2204 k = 0.0000 0.0000 0.3280 ( 3088 PWs) bands (ev): -29.8291 -29.8291 -11.1378 -11.1357 -10.7819 -10.7795 -10.7327 -10.7324 -0.9603 -0.9408 3.1880 3.3009 3.8935 3.9608 4.6578 4.8081 5.0321 5.4088 6.3373 6.4045 6.7419 6.8739 7.0586 7.3685 7.8394 7.9403 8.8988 9.0100 9.4118 9.6285 9.9343 9.9568 10.6880 10.7376 12.4139 12.5424 13.3330 13.5178 14.3000 14.3085 k = 0.0000 0.0000 0.3462 ( 3086 PWs) bands (ev): -29.8290 -29.8290 -11.1384 -11.1361 -10.7823 -10.7798 -10.7340 -10.7337 -0.9089 -0.8885 3.1378 3.2474 3.8875 3.9582 4.6402 4.8012 5.0444 5.4222 6.2874 6.3701 6.7455 6.8920 7.0575 7.3541 7.8268 7.9308 8.8701 8.9793 9.3505 9.5949 9.8883 9.8912 10.7702 10.8227 12.5374 12.6683 13.2525 13.4474 14.3882 14.3959 k = 0.0000 0.0000 0.3644 ( 3090 PWs) bands (ev): -29.8289 -29.8289 -11.1390 -11.1367 -10.7828 -10.7801 -10.7353 -10.7350 -0.8550 -0.8337 3.0876 3.1936 3.8796 3.9530 4.6245 4.7954 5.0579 5.4364 6.2374 6.3360 6.7463 6.9064 7.0561 7.3403 7.8144 7.9220 8.8282 8.9442 9.2967 9.5487 9.8300 9.8313 10.8756 10.9270 12.6647 12.7963 13.1782 13.3830 14.4745 14.4820 k = 0.0000 0.0000 0.3826 ( 3094 PWs) bands (ev): -29.8288 -29.8288 -11.1396 -11.1372 -10.7832 -10.7805 -10.7366 -10.7363 -0.7986 -0.7765 3.0377 3.1399 3.8696 3.9449 4.6109 4.7907 5.0724 5.4513 6.1877 6.3024 6.7447 6.9165 7.0536 7.3271 7.8022 7.9137 8.7740 8.9059 9.2525 9.4926 9.7675 9.7742 10.9976 11.0460 12.7946 12.9229 13.1137 13.3254 14.5583 14.5657 k = 0.0000 0.0000 0.4008 ( 3090 PWs) bands (ev): -29.8286 -29.8286 -11.1402 -11.1377 -10.7837 -10.7808 -10.7380 -10.7376 -0.7397 -0.7168 2.9881 3.0865 3.8574 3.9337 4.5996 4.7869 5.0878 5.4669 6.1385 6.2697 6.7407 6.9217 7.0497 7.3144 7.7902 7.9059 8.7109 8.8658 9.2164 9.4288 9.7003 9.7244 11.1317 11.1766 12.9252 13.0070 13.0998 13.2764 14.6388 14.6464 k = 0.0000 0.0000 0.4191 ( 3086 PWs) bands (ev): -29.8285 -29.8285 -11.1408 -11.1382 -10.7841 -10.7811 -10.7393 -10.7390 -0.6784 -0.6547 2.9389 3.0335 3.8431 3.9193 4.5904 4.7839 5.1038 5.4831 6.0900 6.2381 6.7348 6.9215 7.0439 7.3023 7.7784 7.8987 8.6429 8.8251 9.1854 9.3591 9.6324 9.6801 11.2751 11.3162 12.9736 13.0496 13.2109 13.2423 14.7150 14.7231 k = 0.0000 0.0000 0.4373 ( 3078 PWs) bands (ev): -29.8284 -29.8284 -11.1414 -11.1388 -10.7844 -10.7814 -10.7407 -10.7403 -0.6147 -0.5903 2.8905 2.9811 3.8265 3.9018 4.5831 4.7814 5.1203 5.5000 6.0423 6.2080 6.7270 6.9155 7.0360 7.2906 7.7668 7.8918 8.5735 8.7852 9.1565 9.2852 9.5657 9.6404 11.4256 11.4632 12.9275 13.1275 13.2622 13.3415 14.7852 14.7946 k = 0.0000 0.0000 0.4555 ( 3078 PWs) bands (ev): -29.8283 -29.8283 -11.1420 -11.1393 -10.7848 -10.7818 -10.7421 -10.7416 -0.5486 -0.5236 2.8428 2.9296 3.8076 3.8810 4.5773 4.7790 5.1371 5.5174 5.9956 6.1796 6.7176 6.9035 7.0261 7.2793 7.7554 7.8855 8.5055 8.7469 9.1268 9.2086 9.5021 9.6043 11.5821 11.6164 12.8864 13.1251 13.3693 13.4724 14.8443 14.8594 k = 0.0000 0.0000 0.4737 ( 3078 PWs) bands (ev): -29.8281 -29.8281 -11.1426 -11.1399 -10.7852 -10.7821 -10.7434 -10.7430 -0.4803 -0.4547 2.7959 2.8789 3.7863 3.8572 4.5726 4.7764 5.1540 5.5352 5.9503 6.1532 6.7069 6.8856 7.0143 7.2684 7.7440 7.8795 8.4408 8.7113 9.0941 9.1302 9.4432 9.5708 11.7435 11.7749 12.8522 13.1066 13.4975 13.6000 14.8597 14.8941 k = 0.0000 0.0000 0.4919 ( 3076 PWs) bands (ev): -29.8280 -29.8280 -11.1432 -11.1405 -10.7856 -10.7825 -10.7448 -10.7443 -0.4097 -0.3835 2.7501 2.8293 3.7627 3.8305 4.5684 4.7731 5.1710 5.5531 5.9067 6.1291 6.6950 6.8619 7.0010 7.2578 7.7327 7.8739 8.3805 8.6787 9.0510 9.0565 9.3904 9.5388 11.9091 11.9380 12.8256 13.0908 13.6257 13.7207 14.8271 14.8733 k = 0.0000 0.0000 0.5102 ( 3078 PWs) bands (ev): -29.8279 -29.8279 -11.1439 -11.1410 -10.7860 -10.7828 -10.7461 -10.7456 -0.3369 -0.3103 2.7054 2.7808 3.7367 3.8008 4.5642 4.7686 5.1880 5.5710 5.8652 6.1076 6.6823 6.8329 6.9867 7.2474 7.7215 7.8687 8.3252 8.6495 8.9717 9.0133 9.3444 9.5078 12.0783 12.1051 12.8068 13.0808 13.7468 13.8298 14.7895 14.8569 k = 0.0000 0.0000 0.5284 ( 3082 PWs) bands (ev): -29.8278 -29.8278 -11.1445 -11.1416 -10.7864 -10.7832 -10.7474 -10.7469 -0.2620 -0.2349 2.6619 2.7336 3.7082 3.7685 4.5594 4.7623 5.2047 5.5882 5.8265 6.0889 6.6688 6.7994 6.9721 7.2372 7.7103 7.8639 8.2749 8.6237 8.8928 8.9647 9.3049 9.4772 12.2503 12.2758 12.7962 13.0774 13.8539 13.9210 14.7587 14.8507 k = 0.0000 0.0000 0.5466 ( 3082 PWs) bands (ev): -29.8276 -29.8276 -11.1451 -11.1422 -10.7867 -10.7835 -10.7487 -10.7482 -0.1850 -0.1576 2.6196 2.6878 3.6772 3.7334 4.5536 4.7538 5.2210 5.6040 5.7919 6.0733 6.6551 6.7622 6.9577 7.2272 7.6990 7.8594 8.2293 8.6012 8.8148 8.9119 9.2709 9.4465 12.4243 12.4496 12.7944 13.0810 13.9375 13.9867 14.7450 14.8616 k = 0.0000 0.0000 0.5648 ( 3084 PWs) bands (ev): -29.8275 -29.8275 -11.1456 -11.1428 -10.7871 -10.7839 -10.7500 -10.7495 -0.1060 -0.0783 2.5788 2.6434 3.6436 3.6956 4.5463 4.7426 5.2370 5.6164 5.7632 6.0610 6.6412 6.7224 6.9440 7.2175 7.6876 7.8553 8.1878 8.5815 8.7384 8.8565 9.2411 9.4154 12.5976 12.6261 12.8036 13.0916 13.9869 14.0210 14.7599 14.8946 k = 0.0000 0.0000 0.5830 ( 3076 PWs) bands (ev): -29.8274 -29.8274 -11.1462 -11.1433 -10.7874 -10.7842 -10.7512 -10.7506 -0.0251 0.0029 2.5393 2.6006 3.6073 3.6550 4.5370 4.7284 5.2526 5.6224 5.7440 6.0521 6.6277 6.6810 6.9318 7.2080 7.6759 7.8515 8.1497 8.5636 8.6646 8.8000 9.2142 9.3837 12.7496 12.8050 12.8442 13.1093 13.9970 14.0228 14.8091 14.9466 k = 0.0000 0.0000 0.6013 ( 3080 PWs) bands (ev): -29.8273 -29.8273 -11.1467 -11.1439 -10.7877 -10.7845 -10.7524 -10.7519 0.0578 0.0860 2.5014 2.5593 3.5681 3.6116 4.5257 4.7108 5.2676 5.6187 5.7375 6.0466 6.6148 6.6390 6.9215 7.1988 7.6639 7.8481 8.1140 8.5427 8.5983 8.7439 9.1891 9.3510 12.8102 12.9855 12.9860 13.1338 13.9724 13.9970 14.8875 14.9714 k = 0.0000 0.0000 0.6195 ( 3084 PWs) bands (ev): -29.8272 -29.8272 -11.1472 -11.1445 -10.7879 -10.7849 -10.7536 -10.7530 0.1424 0.1707 2.4650 2.5197 3.5259 3.5652 4.5121 4.6898 5.2820 5.6066 5.7426 6.0446 6.5976 6.6030 6.9133 7.1901 7.6515 7.8450 8.0799 8.4992 8.5592 8.6894 9.1651 9.3174 12.8436 13.1629 13.1651 13.1686 13.9236 13.9508 14.9387 14.9932 k = 0.0000 0.0000 0.6377 ( 3086 PWs) bands (ev): -29.8271 -29.8271 -11.1477 -11.1450 -10.7882 -10.7852 -10.7547 -10.7542 0.2288 0.2572 2.4303 2.4817 3.4805 3.5157 4.4963 4.6655 5.2959 5.5906 5.7547 6.0459 6.5576 6.5924 6.9076 7.1818 7.6384 7.8423 8.0465 8.4358 8.5444 8.6375 9.1415 9.2827 12.8799 13.2032 13.3456 13.3522 13.8600 13.8909 14.9211 15.0045 k = 0.0000 0.0000 0.6559 ( 3078 PWs) bands (ev): -29.8269 -29.8269 -11.1482 -11.1455 -10.7884 -10.7855 -10.7558 -10.7552 0.3169 0.3452 2.3972 2.4456 3.4318 3.4629 4.4785 4.6383 5.3092 5.5743 5.7701 6.0501 6.5198 6.5836 6.9046 7.1741 7.6245 7.8398 8.0130 8.3706 8.5362 8.5892 9.1181 9.2469 12.9221 13.2475 13.5297 13.5363 13.7887 13.8228 14.9021 14.9944 k = 0.0000 0.0000 0.6741 ( 3082 PWs) bands (ev): -29.8268 -29.8268 -11.1486 -11.1461 -10.7886 -10.7858 -10.7568 -10.7562 0.4066 0.4347 2.3658 2.4112 3.3796 3.4067 4.4590 4.6087 5.3219 5.5592 5.7869 6.0570 6.4849 6.5766 6.9042 7.1669 7.6096 7.8376 7.9788 8.3073 8.5308 8.5451 9.0945 9.2099 12.9705 13.2977 13.7024 13.7101 13.7317 13.7539 14.8831 14.9831 k = 0.0000 0.0000 0.6924 ( 3080 PWs) bands (ev): -29.8267 -29.8267 -11.1490 -11.1466 -10.7888 -10.7861 -10.7577 -10.7572 0.4977 0.5256 2.3361 2.3786 3.3237 3.3470 4.4381 4.5772 5.3340 5.5458 5.8042 6.0659 6.4536 6.5717 6.9064 7.1603 7.5936 7.8355 7.9434 8.2471 8.5059 8.5275 9.0707 9.1718 13.0250 13.3532 13.6357 13.6723 13.9006 13.9065 14.8642 14.9718 k = 0.0000 0.0000 0.7106 ( 3074 PWs) bands (ev): -29.8266 -29.8266 -11.1494 -11.1470 -10.7890 -10.7864 -10.7586 -10.7581 0.5903 0.6179 2.3083 2.3479 3.2641 3.2837 4.4165 4.5445 5.3455 5.5344 5.8213 6.0762 6.4265 6.5690 6.9112 7.1544 7.5761 7.8332 7.9070 8.1906 8.4720 8.5258 9.0465 9.1327 13.0853 13.4115 13.5634 13.5970 14.0828 14.0886 14.8451 14.9606 k = 0.0000 0.0000 0.7288 ( 3078 PWs) bands (ev): -29.8266 -29.8266 -11.1498 -11.1475 -10.7892 -10.7867 -10.7595 -10.7590 0.6841 0.7113 2.2823 2.3191 3.2007 3.2167 4.3945 4.5115 5.3564 5.5247 5.8381 6.0868 6.4043 6.5685 6.9184 7.1490 7.5571 7.8291 7.8708 8.1384 8.4438 8.5256 9.0218 9.0927 13.1508 13.4489 13.5192 13.5229 14.2624 14.2678 14.8255 14.9496 k = 0.0000 0.0000 0.7470 ( 3074 PWs) bands (ev): -29.8265 -29.8265 -11.1501 -11.1480 -10.7893 -10.7869 -10.7603 -10.7598 0.7790 0.8057 2.2581 2.2922 3.1336 3.1461 4.3727 4.4787 5.3667 5.5165 5.8543 6.0968 6.3878 6.5701 6.9276 7.1441 7.5365 7.8134 7.8449 8.0908 8.4212 8.5267 8.9968 9.0520 13.2206 13.4011 13.4520 13.5680 14.4367 14.4420 14.8052 14.9386 k = 0.0000 0.0000 0.7652 ( 3070 PWs) bands (ev): -29.8264 -29.8264 -11.1504 -11.1484 -10.7894 -10.7872 -10.7610 -10.7606 0.8750 0.9010 2.2357 2.2672 3.0629 3.0720 4.3515 4.4468 5.3763 5.5095 5.8698 6.1047 6.3777 6.5737 6.9385 7.1396 7.5143 7.7778 7.8379 8.0480 8.4042 8.5290 8.9714 9.0107 13.2899 13.3370 13.3895 13.6415 14.6023 14.6074 14.7839 14.9273 k = 0.0000 0.0000 0.7835 ( 3070 PWs) bands (ev): -29.8263 -29.8263 -11.1506 -11.1488 -10.7895 -10.7874 -10.7617 -10.7613 0.9717 0.9970 2.2152 2.2442 2.9887 2.9947 4.3314 4.4163 5.3854 5.5034 5.8847 6.1095 6.3749 6.5789 6.9509 7.1355 7.4911 7.7365 7.8359 8.0103 8.3927 8.5325 8.9457 8.9691 13.2751 13.3007 13.3937 13.7211 14.7510 14.7530 14.7677 14.9155 k = 0.0000 0.0000 0.8017 ( 3074 PWs) bands (ev): -29.8263 -29.8263 -11.1509 -11.1492 -10.7895 -10.7877 -10.7623 -10.7619 1.0690 1.0935 2.1966 2.2231 2.9115 2.9144 4.3128 4.3877 5.3940 5.4981 5.8990 6.1104 6.3793 6.5852 6.9641 7.1315 7.4672 7.6939 7.8350 7.9776 8.3864 8.5370 8.9199 8.9276 13.2176 13.2475 13.4702 13.8049 14.7340 14.8785 14.8847 14.9027 k = 0.0000 0.0000 0.8199 ( 3068 PWs) bands (ev): -29.8262 -29.8262 -11.1510 -11.1495 -10.7896 -10.7879 -10.7628 -10.7625 1.1667 1.1901 2.1798 2.2039 2.8316 2.8316 4.2959 4.3612 5.4021 5.4931 5.9128 6.1074 6.3904 6.5921 6.9780 7.1274 7.4436 7.6514 7.8347 7.9497 8.3851 8.5424 8.8866 8.8940 13.1651 13.1935 13.5558 13.8917 14.7056 14.8879 14.9681 14.9733 k = 0.0000 0.0000 0.8381 ( 3064 PWs) bands (ev): -29.8261 -29.8261 -11.1512 -11.1498 -10.7896 -10.7881 -10.7633 -10.7630 1.2644 1.2866 2.1647 2.1866 2.7470 2.7496 4.2810 4.3371 5.4097 5.4884 5.9262 6.1011 6.4072 6.5987 6.9919 7.1231 7.4214 7.6096 7.8346 7.9262 8.3885 8.5485 8.8466 8.8683 13.1183 13.1439 13.6449 13.9809 14.6731 14.8709 15.0201 15.0243 k = 0.0000 0.0000 0.8563 ( 3068 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1501 -10.7896 -10.7883 -10.7637 -10.7635 1.3615 1.3823 2.1513 2.1710 2.6612 2.6664 4.2682 4.3156 5.4169 5.4839 5.9394 6.0923 6.4280 6.6043 7.0055 7.1183 7.4017 7.5692 7.8349 7.9066 8.3963 8.5546 8.8085 8.8430 13.0774 13.0999 13.7362 14.0714 14.6359 14.8503 15.0470 15.0504 k = 0.0000 0.0000 0.8746 ( 3064 PWs) bands (ev): -29.8261 -29.8261 -11.1514 -11.1504 -10.7896 -10.7885 -10.7641 -10.7639 1.4573 1.4765 2.1393 2.1569 2.5755 2.5830 4.2578 4.2967 5.4238 5.4793 5.9524 6.0817 6.4517 6.6078 7.0186 7.1129 7.3858 7.5309 7.8354 7.8905 8.4082 8.5599 8.7735 8.8183 13.0428 13.0617 13.8286 14.1623 14.5930 14.8250 15.0609 15.0637 k = 0.0000 0.0000 0.8928 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1506 -10.7895 -10.7886 -10.7644 -10.7642 1.5506 1.5678 2.1284 2.1439 2.4918 2.5012 4.2499 4.2806 5.4304 5.4746 5.9653 6.0699 6.4768 6.6084 7.0309 7.1066 7.3749 7.4953 7.8364 7.8774 8.4238 8.5626 8.7437 8.7945 13.0145 13.0298 13.9213 14.2523 14.5440 14.7935 15.0683 15.0706 k = 0.0000 0.0000 0.9110 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1508 -10.7895 -10.7888 -10.7646 -10.7645 1.6392 1.6539 2.1179 2.1311 2.4136 2.4240 4.2444 4.2672 5.4367 5.4698 5.9783 6.0573 6.5021 6.6052 7.0424 7.0995 7.3698 7.4629 7.8378 7.8668 8.4427 8.5603 8.7219 8.7721 12.9929 13.0044 14.0131 14.3392 14.4892 14.7544 15.0724 15.0741 k = 0.0000 0.0000 0.9292 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1510 -10.7894 -10.7889 -10.7647 -10.7646 1.7187 1.7299 2.1070 2.1172 2.3470 2.3569 4.2415 4.2566 5.4428 5.4648 5.9914 6.0443 6.5267 6.5977 7.0532 7.0915 7.3709 7.4345 7.8399 7.8584 8.4642 8.5505 8.7109 8.7515 12.9778 12.9856 14.1030 14.4019 14.4481 14.7067 15.0747 15.0759 k = 0.0000 0.0000 0.9474 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1512 -10.7893 -10.7891 -10.7648 -10.7648 1.7798 1.7862 2.0964 2.1021 2.3020 2.3083 4.2412 4.2488 5.4486 5.4596 6.0045 6.0311 6.5495 6.5856 7.0636 7.0828 7.3782 7.4105 7.8428 7.8518 8.4875 8.5332 8.7109 8.7335 12.9696 12.9735 14.1897 14.3476 14.5120 14.6499 15.0759 15.0766 k = 0.0000 0.0000 0.9657 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8063 1.8063 2.0926 2.0926 2.2882 2.2882 4.2436 4.2436 5.4543 5.4543 6.0178 6.0178 6.5694 6.5694 7.0734 7.0734 7.3916 7.3916 7.8467 7.8467 8.5112 8.5112 8.7193 8.7193 12.9681 12.9681 14.2719 14.2719 14.5844 14.5844 15.0766 15.0766 k = 0.0000 0.0000 0.9657 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8063 1.8063 2.0926 2.0926 2.2882 2.2882 4.2436 4.2436 5.4543 5.4543 6.0178 6.0178 6.5694 6.5694 7.0734 7.0734 7.3916 7.3916 7.8467 7.8467 8.5112 8.5112 8.7193 8.7193 12.9681 12.9681 14.2719 14.2719 14.5844 14.5844 15.0766 15.0766 k =-0.0092 0.0151 0.9657 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1512 -10.7893 -10.7891 -10.7648 -10.7648 1.7923 1.7971 2.0957 2.1048 2.2884 2.2908 4.2369 4.2587 5.4406 5.4679 6.0079 6.0269 6.5646 6.5714 7.0598 7.0766 7.3681 7.4201 7.8250 7.8692 8.4765 8.5561 8.7226 8.7246 12.9634 12.9706 14.2716 14.2741 14.5837 14.5846 15.0723 15.0780 k =-0.0183 0.0303 0.9657 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1511 -10.7894 -10.7890 -10.7647 -10.7646 1.7584 1.7683 2.1111 2.1288 2.2915 2.2964 4.2384 4.2818 5.4269 5.4813 5.9973 6.0351 6.5569 6.5705 7.0385 7.0670 7.3532 7.4501 7.8052 7.8913 8.4542 8.6079 8.7356 8.7380 12.9565 12.9709 14.2732 14.2779 14.5825 14.5845 15.0657 15.0766 k =-0.0275 0.0454 0.9657 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1509 -10.7895 -10.7889 -10.7645 -10.7645 1.7104 1.7256 2.1332 2.1589 2.2975 2.3049 4.2479 4.3126 5.4134 5.4943 5.9861 6.0424 6.5464 6.5666 7.0117 7.0446 7.3485 7.4792 7.7878 7.9116 8.4463 8.6623 8.7592 8.7609 12.9476 12.9689 14.2761 14.2827 14.5811 14.5847 15.0569 15.0722 k =-0.0366 0.0605 0.9657 ( 3054 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1507 -10.7895 -10.7888 -10.7643 -10.7642 1.6532 1.6736 2.1575 2.1906 2.3066 2.3165 4.2649 4.3504 5.4002 5.5066 5.9743 6.0487 6.5329 6.5592 6.9811 7.0124 7.3527 7.5058 7.7734 7.9298 8.4536 8.7126 8.7881 8.8037 12.9365 12.9647 14.2795 14.2874 14.5803 14.5857 15.0463 15.0649 k =-0.0458 0.0757 0.9657 ( 3058 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1506 -10.7896 -10.7887 -10.7641 -10.7639 1.5897 1.6149 2.1818 2.2215 2.3192 2.3311 4.2887 4.3944 5.3872 5.5180 5.9621 6.0539 6.5163 6.5477 6.9480 6.9753 7.3632 7.5291 7.7621 7.9464 8.4754 8.7561 8.8245 8.8652 12.9235 12.9581 14.2822 14.2906 14.5807 14.5884 15.0345 15.0548 k =-0.0549 0.0908 0.9657 ( 3056 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1503 -10.7897 -10.7886 -10.7637 -10.7636 1.5216 1.5513 2.2051 2.2499 2.3356 2.3484 4.3186 4.4438 5.3746 5.5282 5.9496 6.0580 6.4967 6.5313 6.9134 6.9376 7.3778 7.5484 7.7544 7.9633 8.5101 8.7975 8.8681 8.9394 12.9086 12.9492 14.2824 14.2909 14.5832 14.5931 15.0224 15.0426 k =-0.0641 0.1059 0.9657 ( 3054 PWs) bands (ev): -29.8261 -29.8261 -11.1512 -11.1501 -10.7898 -10.7885 -10.7633 -10.7632 1.4502 1.4839 2.2273 2.2755 2.3556 2.3682 4.3536 4.4977 5.3623 5.5366 5.9370 6.0609 6.4742 6.5091 6.8784 6.9031 7.3948 7.5636 7.7509 7.9828 8.5550 8.8409 8.9186 9.0211 12.8919 12.9380 14.2786 14.2870 14.5877 14.5991 15.0066 15.0265 k =-0.0733 0.1210 0.9657 ( 3054 PWs) bands (ev): -29.8262 -29.8262 -11.1511 -11.1499 -10.7898 -10.7883 -10.7629 -10.7627 1.3763 1.4136 2.2488 2.2988 2.3785 2.3898 4.3928 4.5548 5.3504 5.5429 5.9244 6.0624 6.4490 6.4806 6.8438 6.8742 7.4128 7.5744 7.7521 8.0070 8.6079 8.8880 8.9756 9.1079 12.8734 12.9246 14.2693 14.2782 14.5929 14.6036 14.9153 14.9256 k =-0.0824 0.1362 0.9657 ( 3054 PWs) bands (ev): -29.8262 -29.8262 -11.1510 -11.1496 -10.7899 -10.7882 -10.7624 -10.7621 1.3005 1.3409 2.2698 2.3209 2.4035 2.4127 4.4353 4.6143 5.3390 5.5467 5.9119 6.0624 6.4216 6.4463 6.8104 6.8522 7.4309 7.5813 7.7593 8.0376 8.6668 8.9391 9.0388 9.1982 12.8533 12.9089 14.2533 14.2638 14.5944 14.5998 14.7970 14.8060 k =-0.0916 0.1513 0.9657 ( 3056 PWs) bands (ev): -29.8263 -29.8263 -11.1508 -11.1493 -10.7899 -10.7881 -10.7618 -10.7615 1.2234 1.2664 2.2910 2.3426 2.4293 2.4366 4.4801 4.6751 5.3280 5.5476 5.8994 6.0607 6.3927 6.4073 6.7787 6.8374 7.4477 7.5847 7.7738 8.0753 8.7301 8.9943 9.1076 9.2914 12.8315 12.8911 14.2288 14.2431 14.5655 14.5767 14.6960 14.6969 k =-0.0916 0.1513 0.9657 ( 3056 PWs) bands (ev): -29.8263 -29.8263 -11.1508 -11.1493 -10.7899 -10.7881 -10.7618 -10.7615 1.2234 1.2664 2.2910 2.3426 2.4293 2.4366 4.4801 4.6751 5.3280 5.5476 5.8994 6.0607 6.3927 6.4073 6.7787 6.8374 7.4477 7.5847 7.7738 8.0753 8.7301 8.9943 9.1076 9.2914 12.8315 12.8911 14.2288 14.2431 14.5655 14.5767 14.6960 14.6969 k =-0.0982 0.1622 0.9529 ( 3064 PWs) bands (ev): -29.8263 -29.8263 -11.1507 -11.1491 -10.7900 -10.7881 -10.7614 -10.7611 1.1668 1.2112 2.2791 2.3279 2.4689 2.4934 4.5137 4.7193 5.3202 5.5466 5.8899 6.0582 6.3692 6.3784 6.7533 6.8369 7.4589 7.5857 7.7897 8.1063 8.7757 9.0390 9.1602 9.3610 12.8166 12.8786 14.1896 14.2305 14.4873 14.5385 14.6234 14.6771 k =-0.1048 0.1731 0.9402 ( 3068 PWs) bands (ev): -29.8264 -29.8264 -11.1506 -11.1489 -10.7900 -10.7880 -10.7608 -10.7605 1.1093 1.1548 2.2404 2.2869 2.5417 2.5742 4.5484 4.7639 5.3124 5.5446 5.8792 6.0537 6.3383 6.3550 6.7250 6.8474 7.4694 7.5866 7.8109 8.1394 8.8188 9.0899 9.2159 9.4335 12.8042 12.8682 14.1433 14.1988 14.3745 14.4619 14.5901 14.6673 k =-0.1113 0.1840 0.9275 ( 3066 PWs) bands (ev): -29.8265 -29.8264 -11.1504 -11.1486 -10.7901 -10.7880 -10.7602 -10.7599 1.0518 1.0981 2.1949 2.2404 2.6242 2.6604 4.5839 4.8084 5.3045 5.5418 5.8673 6.0471 6.3033 6.3363 6.6973 6.8644 7.4788 7.5879 7.8374 8.1743 8.8602 9.1452 9.2755 9.5078 12.7943 12.8599 14.0927 14.1426 14.2482 14.3697 14.5767 14.6535 k =-0.1179 0.1948 0.9148 ( 3066 PWs) bands (ev): -29.8265 -29.8265 -11.1502 -11.1483 -10.7901 -10.7879 -10.7596 -10.7591 0.9948 1.0415 2.1473 2.1923 2.7103 2.7489 4.6200 4.8526 5.2964 5.5383 5.8538 6.0381 6.2671 6.3216 6.6712 6.8854 7.4868 7.5901 7.8689 8.2103 8.9008 9.2032 9.3395 9.5833 12.7867 12.8533 14.0254 14.0616 14.1233 14.2873 14.5654 14.6351 k =-0.1245 0.2057 0.9020 ( 3063 PWs) bands (ev): -29.8266 -29.8266 -11.1500 -11.1480 -10.7901 -10.7879 -10.7588 -10.7583 0.9386 0.9857 2.0990 2.1436 2.7979 2.8383 4.6565 4.8960 5.2881 5.5342 5.8387 6.0274 6.2308 6.3115 6.6470 6.9090 7.4937 7.5936 7.9052 8.2471 8.9419 9.2624 9.4080 9.6591 12.7812 12.8480 13.9187 13.9423 14.0425 14.2206 14.5525 14.6136 k =-0.1311 0.2166 0.8893 ( 3055 PWs) bands (ev): -29.8266 -29.8266 -11.1497 -11.1477 -10.7902 -10.7880 -10.7580 -10.7574 0.8835 0.9309 2.0506 2.0950 2.8859 2.9278 4.6931 4.9385 5.2797 5.5296 5.8220 6.0157 6.1950 6.3056 6.6247 6.9341 7.4996 7.5987 7.9459 8.2844 8.9843 9.3221 9.4804 9.7345 12.7773 12.8432 13.7856 13.7979 13.9928 14.1650 14.5374 14.5902 k =-0.1377 0.2275 0.8766 ( 3061 PWs) bands (ev): -29.8267 -29.8267 -11.1495 -11.1474 -10.7903 -10.7881 -10.7571 -10.7564 0.8299 0.8773 2.0027 2.0468 2.9736 3.0168 4.7299 4.9796 5.2710 5.5244 5.8043 6.0041 6.1600 6.3038 6.6043 6.9598 7.5049 7.6057 7.9905 8.3218 9.0287 9.3821 9.5556 9.8089 12.7737 12.8370 13.6411 13.6500 13.9507 14.1159 14.5203 14.5659 k =-0.1443 0.2384 0.8639 ( 3059 PWs) bands (ev): -29.8268 -29.8268 -11.1492 -11.1471 -10.7904 -10.7881 -10.7562 -10.7554 0.7777 0.8253 1.9555 1.9992 3.0604 3.1048 4.7665 5.0192 5.2620 5.5187 5.7864 5.9934 6.1263 6.3052 6.5857 6.9854 7.5102 7.6148 8.0384 8.3590 9.0758 9.4425 9.6326 9.8816 12.7684 12.8265 13.4937 13.5064 13.9125 14.0710 14.5019 14.5414 k =-0.1509 0.2493 0.8512 ( 3062 PWs) bands (ev): -29.8269 -29.8269 -11.1490 -11.1468 -10.7905 -10.7883 -10.7552 -10.7544 0.7273 0.7749 1.9092 1.9525 3.1458 3.1911 4.8030 5.0571 5.2528 5.5123 5.7696 5.9840 6.0941 6.3092 6.5687 7.0102 7.5161 7.6260 8.0891 8.3957 9.1258 9.5036 9.7103 9.9516 12.7569 12.8057 13.3521 13.3742 13.8773 14.0294 14.4823 14.5172 k =-0.1575 0.2602 0.8384 ( 3062 PWs) bands (ev): -29.8270 -29.8270 -11.1487 -11.1465 -10.7906 -10.7884 -10.7542 -10.7533 0.6786 0.7262 1.8640 1.9069 3.2291 3.2752 4.8391 5.0927 5.2435 5.5054 5.7552 5.9762 6.0638 6.3151 6.5532 7.0335 7.5232 7.6395 8.1420 8.4317 9.1790 9.5655 9.7876 10.0183 12.7306 12.7645 13.2274 13.2650 13.8452 13.9907 14.4618 14.4936 k =-0.1640 0.2710 0.8257 ( 3066 PWs) bands (ev): -29.8271 -29.8270 -11.1484 -11.1463 -10.7908 -10.7886 -10.7531 -10.7521 0.6319 0.6793 1.8200 1.8625 3.3100 3.3566 4.8747 5.1257 5.2342 5.4985 5.7443 5.9698 6.0355 6.3227 6.5391 7.0547 7.5324 7.6553 8.1964 8.4667 9.2356 9.6282 9.8637 10.0805 12.6761 12.6921 13.1348 13.1911 13.8161 13.9548 14.4406 14.4710 k =-0.1706 0.2819 0.8130 ( 3066 PWs) bands (ev): -29.8271 -29.8271 -11.1481 -11.1460 -10.7909 -10.7888 -10.7520 -10.7509 0.5871 0.6345 1.7776 1.8195 3.3878 3.4347 4.9093 5.1551 5.2253 5.4927 5.7377 5.9648 6.0095 6.3313 6.5263 7.0733 7.5443 7.6736 8.2517 8.5005 9.2957 9.6916 9.9377 10.1374 12.5848 12.5882 13.0844 13.1546 13.7901 13.9216 14.4190 14.4493 k =-0.1772 0.2928 0.8003 ( 3066 PWs) bands (ev): -29.8272 -29.8272 -11.1478 -11.1457 -10.7911 -10.7891 -10.7508 -10.7497 0.5443 0.5916 1.7366 1.7781 3.4622 3.5092 4.9424 5.1798 5.2174 5.4897 5.7355 5.9610 5.9860 6.3407 6.5148 7.0888 7.5595 7.6943 8.3071 8.5330 9.3592 9.7555 10.0089 10.1876 12.4629 12.4653 13.0697 13.1459 13.7671 13.8909 14.3969 14.4287 k =-0.1838 0.3037 0.7875 ( 3066 PWs) bands (ev): -29.8273 -29.8273 -11.1476 -11.1455 -10.7913 -10.7893 -10.7497 -10.7485 0.5036 0.5508 1.6974 1.7383 3.5327 3.5794 4.9729 5.1960 5.2137 5.4916 5.7374 5.9579 5.9660 6.3507 6.5045 7.1009 7.5786 7.7178 8.3620 8.5640 9.4257 9.8194 10.0768 10.2299 12.3286 12.3314 13.0779 13.1548 13.7472 13.8624 14.3747 14.4091 k =-0.1904 0.3146 0.7748 ( 3070 PWs) bands (ev): -29.8274 -29.8274 -11.1473 -11.1452 -10.7915 -10.7896 -10.7485 -10.7473 0.4651 0.5121 1.6599 1.7002 3.5989 3.6451 4.9995 5.1958 5.2226 5.5003 5.7425 5.9471 5.9583 6.3609 6.4956 7.1094 7.6020 7.7440 8.4157 8.5933 9.4947 9.8825 10.1409 10.2627 12.1911 12.1961 13.1002 13.1744 13.7301 13.8355 14.3523 14.3902 k =-0.1970 0.3255 0.7621 ( 3074 PWs) bands (ev): -29.8275 -29.8275 -11.1470 -11.1450 -10.7917 -10.7898 -10.7473 -10.7462 0.4287 0.4756 1.6242 1.6641 3.6604 3.7060 5.0204 5.1887 5.2361 5.5162 5.7497 5.9341 5.9582 6.3710 6.4880 7.1143 7.6300 7.7732 8.4677 8.6210 9.5652 9.9438 10.2008 10.2845 12.0555 12.0662 13.1316 13.2008 13.7158 13.8095 14.3297 14.3718 k =-0.2036 0.3363 0.7494 ( 3074 PWs) bands (ev): -29.8275 -29.8275 -11.1467 -11.1448 -10.7919 -10.7901 -10.7462 -10.7450 0.3945 0.4413 1.5906 1.6298 3.7170 3.7619 5.0345 5.1791 5.2521 5.5383 5.7574 5.9256 5.9602 6.3806 6.4822 7.1159 7.6626 7.8056 8.5174 8.6467 9.6356 10.0019 10.2546 10.2963 11.9271 11.9452 13.1696 13.2312 13.7040 13.7830 14.3069 14.3533 k =-0.2102 0.3472 0.7367 ( 3070 PWs) bands (ev): -29.8276 -29.8276 -11.1465 -11.1446 -10.7921 -10.7904 -10.7450 -10.7438 0.3626 0.4092 1.5589 1.5977 3.7686 3.8128 5.0418 5.1670 5.2722 5.5648 5.7638 5.9225 5.9651 6.3893 6.4783 7.1143 7.6999 7.8412 8.5643 8.6706 9.7029 10.0555 10.2751 10.3246 11.8095 11.8361 13.2120 13.2631 13.6945 13.7541 14.2833 14.3304 k =-0.2167 0.3581 0.7239 ( 3073 PWs) bands (ev): -29.8277 -29.8277 -11.1462 -11.1445 -10.7922 -10.7907 -10.7439 -10.7428 0.3330 0.3795 1.5294 1.5676 3.8150 3.8586 5.0435 5.1527 5.2962 5.5937 5.7676 5.9239 5.9747 6.3964 6.4770 7.1101 7.7419 7.8802 8.6079 8.6926 9.7621 10.1045 10.2551 10.3774 11.7063 11.7413 13.2568 13.2932 13.6866 13.7214 14.2559 14.2684 k =-0.2233 0.3690 0.7112 ( 3069 PWs) bands (ev): -29.8278 -29.8277 -11.1459 -11.1443 -10.7924 -10.7909 -10.7428 -10.7417 0.3056 0.3520 1.5020 1.5397 3.8562 3.8996 5.0415 5.1373 5.3225 5.6232 5.7684 5.9274 5.9914 6.4014 6.4786 7.1035 7.7885 7.9228 8.6479 8.7124 9.8058 10.1491 10.2188 10.4346 11.6201 11.6621 13.3008 13.3175 13.6697 13.6950 14.1893 14.2338 k =-0.2299 0.3799 0.6985 ( 3068 PWs) bands (ev): -29.8278 -29.8278 -11.1457 -11.1442 -10.7926 -10.7911 -10.7418 -10.7408 0.2806 0.3268 1.4768 1.5141 3.8924 3.9360 5.0372 5.1214 5.3495 5.6515 5.7675 5.9309 6.0161 6.4039 6.4833 7.0949 7.8397 7.9690 8.6841 8.7302 9.8255 10.1448 10.2191 10.4944 11.5527 11.5983 13.3277 13.3404 13.6295 13.6948 14.1326 14.2061 k =-0.2365 0.3908 0.6858 ( 3070 PWs) bands (ev): -29.8279 -29.8279 -11.1455 -11.1441 -10.7927 -10.7914 -10.7408 -10.7399 0.2579 0.3040 1.4539 1.4907 3.9238 3.9680 5.0317 5.1057 5.3758 5.6768 5.7670 5.9333 6.0474 6.4042 6.4905 7.0847 7.8953 8.0188 8.7160 8.7459 9.8169 10.0774 10.2768 10.5560 11.5047 11.5486 13.3216 13.3570 13.5965 13.7073 14.0956 14.1798 k =-0.2431 0.4016 0.6730 ( 3074 PWs) bands (ev): -29.8279 -29.8279 -11.1453 -11.1440 -10.7929 -10.7916 -10.7399 -10.7391 0.2375 0.2835 1.4333 1.4697 3.9506 3.9957 5.0258 5.0908 5.4004 5.6963 5.7699 5.9349 6.0832 6.4029 6.4995 7.0732 7.9551 8.0720 8.7432 8.7596 9.7821 9.9950 10.3461 10.6180 11.4751 11.5108 13.2910 13.3376 13.5954 13.7308 14.0757 14.1591 k =-0.2497 0.4125 0.6603 ( 3072 PWs) bands (ev): -29.8280 -29.8280 -11.1451 -11.1439 -10.7930 -10.7918 -10.7391 -10.7383 0.2196 0.2654 1.4151 1.4510 3.9732 4.0196 5.0200 5.0770 5.4228 5.7071 5.7792 5.9357 6.1213 6.4004 6.5096 7.0610 8.0185 8.1284 8.7637 8.7727 9.7272 9.9048 10.4195 10.6795 11.4615 11.4821 13.2359 13.2901 13.6244 13.7628 14.0686 14.1480 k =-0.2563 0.4234 0.6476 ( 3076 PWs) bands (ev): -29.8280 -29.8280 -11.1449 -11.1439 -10.7931 -10.7920 -10.7384 -10.7377 0.2039 0.2497 1.3992 1.4348 3.9919 4.0398 5.0146 5.0645 5.4425 5.7102 5.7941 5.9358 6.1596 6.3971 6.5200 7.0485 8.0848 8.1871 8.7747 8.7875 9.6595 9.8113 10.4918 10.7397 11.4577 11.4630 13.1654 13.2313 13.6662 13.7994 14.0691 14.1488 k =-0.2629 0.4343 0.6349 ( 3078 PWs) bands (ev): -29.8281 -29.8281 -11.1447 -11.1439 -10.7932 -10.7922 -10.7378 -10.7372 0.1907 0.2364 1.3857 1.4210 4.0071 4.0565 5.0098 5.0537 5.4594 5.7091 5.8111 5.9353 6.1965 6.3930 6.5302 7.0361 8.1526 8.2471 8.7802 8.7993 9.5860 9.7190 10.5585 10.7983 11.4407 11.4707 13.0921 13.1683 13.7106 13.8361 14.0722 14.1627 k =-0.2694 0.4452 0.6221 ( 3072 PWs) bands (ev): -29.8281 -29.8281 -11.1445 -11.1438 -10.7933 -10.7923 -10.7372 -10.7367 0.1799 0.2255 1.3746 1.4097 4.0191 4.0699 5.0058 5.0446 5.4733 5.7065 5.8273 5.9344 6.2306 6.3881 6.5397 7.0245 8.2200 8.3067 8.7820 8.8055 9.5132 9.6323 10.6155 10.8545 11.4247 11.4854 13.0246 13.1056 13.7528 13.8687 14.0747 14.1887 k =-0.2760 0.4561 0.6094 ( 3076 PWs) bands (ev): -29.8281 -29.8281 -11.1444 -11.1439 -10.7934 -10.7924 -10.7368 -10.7364 0.1715 0.2170 1.3660 1.4008 4.0281 4.0802 5.0027 5.0373 5.4842 5.7036 5.8414 5.9330 6.2605 6.3824 6.5479 7.0145 8.2834 8.3628 8.7806 8.8053 9.4476 9.5561 10.6603 10.9065 11.4101 11.5020 12.9688 13.0480 13.7901 13.8934 14.0768 14.1865 k =-0.2826 0.4669 0.5967 ( 3076 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1439 -10.7934 -10.7925 -10.7364 -10.7362 0.1654 0.2110 1.3598 1.3945 4.0344 4.0874 5.0005 5.0321 5.4921 5.7012 5.8524 5.9315 6.2849 6.3761 6.5543 7.0066 8.3379 8.4110 8.7769 8.7995 9.3956 9.4956 10.6919 10.9503 11.3972 11.5168 12.9282 13.0007 13.8209 13.9080 14.0799 14.1754 k =-0.2892 0.4778 0.5840 ( 3080 PWs) bands (ev): -29.8282 -29.8281 -11.1442 -11.1439 -10.7934 -10.7926 -10.7362 -10.7361 0.1618 0.2073 1.3561 1.3907 4.0381 4.0917 4.9992 5.0288 5.4968 5.6996 5.8594 5.9302 6.3021 6.3701 6.5583 7.0016 8.3759 8.4449 8.7732 8.7913 9.3623 9.4562 10.7105 10.9803 11.3878 11.5270 12.9043 12.9689 13.8425 13.9133 14.0839 14.1665 k =-0.2958 0.4887 0.5713 ( 3080 PWs) bands (ev): -29.8282 -29.8281 -11.1442 -11.1440 -10.7935 -10.7926 -10.7361 -10.7360 0.1606 0.2061 1.3548 1.3895 4.0393 4.0931 4.9988 5.0278 5.4984 5.6990 5.8618 5.9297 6.3086 6.3674 6.5597 6.9998 8.3898 8.4575 8.7717 8.7872 9.3509 9.4426 10.7166 10.9911 11.3842 11.5306 12.8966 12.9575 13.8508 13.9139 14.0858 14.1629 k =-0.2958 0.4887 0.5713 ( 3080 PWs) bands (ev): -29.8282 -29.8281 -11.1442 -11.1440 -10.7935 -10.7926 -10.7361 -10.7360 0.1606 0.2061 1.3548 1.3895 4.0393 4.0931 4.9988 5.0278 5.4984 5.6990 5.8618 5.9297 6.3086 6.3674 6.5597 6.9998 8.3898 8.4575 8.7717 8.7872 9.3509 9.4426 10.7166 10.9911 11.3842 11.5306 12.8966 12.9575 13.8508 13.9139 14.0858 14.1629 k =-0.2892 0.4779 0.5586 ( 3078 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1442 -10.7936 -10.7929 -10.7363 -10.7362 0.2102 0.2535 1.2858 1.3166 4.0993 4.1405 5.0050 5.0319 5.5253 5.6855 5.8569 5.9323 6.3191 6.3838 6.5470 7.0050 8.4372 8.4825 8.6788 8.7086 9.3329 9.4202 10.6255 10.8969 11.2960 11.4445 12.9098 12.9630 13.8633 13.9289 14.1278 14.2080 k =-0.2826 0.4670 0.5459 ( 3078 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1443 -10.7937 -10.7932 -10.7364 -10.7364 0.2542 0.2938 1.2260 1.2515 4.1575 4.1837 5.0117 5.0380 5.5533 5.6708 5.8520 5.9368 6.3325 6.3974 6.5386 7.0113 8.4789 8.4856 8.6141 8.6293 9.3205 9.4059 10.5354 10.8030 11.2104 11.3602 12.9241 12.9699 13.8718 13.9385 14.1686 14.2511 k =-0.2761 0.4561 0.5332 ( 3087 PWs) bands (ev): -29.8281 -29.8280 -11.1445 -11.1444 -10.7938 -10.7934 -10.7366 -10.7365 0.2898 0.3237 1.1790 1.1972 4.2131 4.2221 5.0190 5.0457 5.5823 5.6552 5.8480 5.9432 6.3486 6.4068 6.5355 7.0185 8.4144 8.5321 8.5548 8.6125 9.3112 9.3973 10.4469 10.7095 11.1276 11.2779 12.9398 12.9783 13.8771 13.9441 14.2101 14.2935 k =-0.2695 0.4453 0.5205 ( 3083 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1444 -10.7938 -10.7936 -10.7366 -10.7366 0.3135 0.3394 1.1489 1.1574 4.2551 4.2652 5.0270 5.0546 5.6117 5.6389 5.8463 5.9515 6.3670 6.4116 6.5381 7.0263 8.3242 8.4762 8.5877 8.6406 9.3034 9.3930 10.3603 10.6170 11.0476 11.1978 12.9568 12.9882 13.8803 13.9473 14.2530 14.3359 k =-0.2629 0.4344 0.5078 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1443 -10.7937 -10.7936 -10.7367 -10.7366 0.3217 0.3379 1.1357 1.1387 4.2823 4.3130 5.0358 5.0640 5.6217 5.6403 5.8488 5.9619 6.3875 6.4120 6.5457 7.0343 8.2320 8.4081 8.6393 8.6761 9.2957 9.3917 10.2764 10.5255 10.9707 11.1199 12.9752 12.9998 13.8821 13.9491 14.2975 14.3787 k =-0.2563 0.4236 0.4951 ( 3079 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1442 -10.7937 -10.7936 -10.7367 -10.7366 0.3124 0.3183 1.1344 1.1494 4.3039 4.3559 5.0455 5.0732 5.6037 5.6657 5.8584 5.9746 6.4093 6.4098 6.5569 7.0421 8.1438 8.3468 8.6919 8.7142 9.2872 9.3924 10.1959 10.4354 10.8971 11.0445 12.9952 13.0131 13.8832 13.9502 14.3437 14.4218 k =-0.2498 0.4127 0.4824 ( 3079 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1441 -10.7937 -10.7934 -10.7367 -10.7366 0.2824 0.2857 1.1533 1.1792 4.3199 4.3932 5.0560 5.0813 5.5849 5.6850 5.8779 5.9896 6.4050 6.4338 6.5702 7.0493 8.0622 8.2935 8.7451 8.7534 9.2768 9.3945 10.1194 10.3470 10.8272 10.9718 13.0169 13.0284 13.8841 13.9513 14.3912 14.4650 k =-0.2432 0.4018 0.4697 ( 3087 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1440 -10.7936 -10.7931 -10.7367 -10.7365 0.2338 0.2445 1.1898 1.2249 4.3308 4.4245 5.0668 5.0877 5.5654 5.6967 5.9087 6.0072 6.3998 6.4592 6.5845 7.0551 7.9893 8.2493 8.7927 8.7988 9.2634 9.3971 10.0478 10.2606 10.7611 10.9019 13.0404 13.0457 13.8853 13.9527 14.4392 14.5078 k =-0.2366 0.3910 0.4570 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1445 -11.1437 -10.7934 -10.7928 -10.7367 -10.7364 0.1759 0.1921 1.2405 1.2828 4.3371 4.4497 5.0776 5.0918 5.5453 5.7014 5.9496 6.0272 6.3946 6.4861 6.5990 7.0591 7.9266 8.2150 8.8316 8.8525 9.2461 9.3997 9.9821 10.1767 10.6993 10.8352 13.0651 13.0660 13.8871 13.9548 14.4857 14.5536 k =-0.2301 0.3801 0.4443 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1443 -11.1435 -10.7932 -10.7924 -10.7366 -10.7363 0.1120 0.1320 1.3020 1.3499 4.3392 4.4689 5.0877 5.0934 5.5246 5.7010 5.9975 6.0497 6.3897 6.5140 6.6134 7.0604 7.8761 8.1913 8.8695 8.9060 9.2239 9.4014 9.9230 10.0957 10.6421 10.7719 13.0870 13.0937 13.8895 13.9578 14.5011 14.5457 k =-0.2235 0.3693 0.4316 ( 3081 PWs) bands (ev): -29.8281 -29.8281 -11.1441 -11.1432 -10.7929 -10.7920 -10.7365 -10.7362 0.0441 0.0667 1.3717 1.4240 4.3378 4.4823 5.0922 5.0963 5.5033 5.6971 6.0497 6.0745 6.3856 6.5427 6.6274 7.0588 7.8393 8.1786 8.9054 8.9588 9.1962 9.4014 9.8713 10.0183 10.5899 10.7122 13.1114 13.1237 13.8930 13.9621 14.4630 14.5016 k =-0.2169 0.3584 0.4189 ( 3083 PWs) bands (ev): -29.8281 -29.8281 -11.1439 -11.1429 -10.7926 -10.7915 -10.7363 -10.7360 -0.0260 -0.0017 1.4477 1.5035 4.3333 4.4903 5.0884 5.1026 5.4818 5.6905 6.1013 6.1038 6.3827 6.5718 6.6409 7.0543 7.8173 8.1771 8.9384 9.0104 9.1631 9.3983 9.8273 9.9457 10.5432 10.6568 13.1385 13.1561 13.8975 13.9676 14.4152 14.4498 k =-0.2103 0.3475 0.4062 ( 3077 PWs) bands (ev): -29.8281 -29.8281 -11.1436 -11.1425 -10.7921 -10.7909 -10.7361 -10.7358 -0.0972 -0.0718 1.5286 1.5873 4.3262 4.4934 5.0821 5.1061 5.4602 5.6818 6.1297 6.1579 6.3814 6.6006 6.6536 7.0476 7.8110 8.1871 8.9668 9.0603 9.1256 9.3908 9.7911 9.8791 10.5027 10.6059 13.1684 13.1911 13.9032 13.9747 14.3614 14.3929 k =-0.2038 0.3367 0.3935 ( 3073 PWs) bands (ev): -29.8282 -29.8282 -11.1433 -11.1421 -10.7917 -10.7902 -10.7359 -10.7356 -0.1687 -0.1427 1.6133 1.6744 4.3167 4.4921 5.0735 5.1062 5.4385 5.6713 6.1592 6.2106 6.3822 6.6283 6.6656 7.0400 7.8202 8.2084 8.9860 9.0881 9.1077 9.3769 9.7620 9.8201 10.4687 10.5603 13.2013 13.2288 13.9101 13.9833 14.3010 14.3307 k =-0.1972 0.3258 0.3808 ( 3073 PWs) bands (ev): -29.8282 -29.8282 -11.1429 -11.1417 -10.7911 -10.7896 -10.7357 -10.7353 -0.2399 -0.2136 1.7011 1.7644 4.3053 4.4870 5.0630 5.1026 5.4171 5.6589 6.1892 6.2606 6.3855 6.6537 6.6768 7.0336 7.8445 8.2409 8.9821 9.0648 9.1519 9.3551 9.7391 9.7706 10.4418 10.5206 13.2373 13.2693 13.9180 13.9937 14.2321 14.2617 k =-0.1906 0.3150 0.3681 ( 3079 PWs) bands (ev): -29.8283 -29.8283 -11.1426 -11.1413 -10.7906 -10.7889 -10.7354 -10.7350 -0.3104 -0.2841 1.7915 1.8566 4.2923 4.4784 5.0508 5.0953 5.3961 5.6448 6.2191 6.3073 6.3919 6.6755 6.6870 7.0303 7.8828 8.2840 8.9461 9.0652 9.1915 9.3242 9.7215 9.7315 10.4225 10.4874 13.2766 13.3126 13.9266 14.0058 14.1521 14.1832 k =-0.1840 0.3041 0.3554 ( 3071 PWs) bands (ev): -29.8284 -29.8284 -11.1422 -11.1408 -10.7900 -10.7882 -10.7351 -10.7347 -0.3798 -0.3536 1.8839 1.9506 4.2777 4.4667 5.0373 5.0845 5.3756 5.6290 6.2482 6.3503 6.4018 6.6929 6.6962 7.0318 7.9338 8.3374 8.8960 9.0724 9.2242 9.2861 9.7027 9.7081 10.4111 10.4617 13.3191 13.3589 13.9342 14.0196 14.0595 14.0927 k =-0.1775 0.2932 0.3428 ( 3075 PWs) bands (ev): -29.8284 -29.8284 -11.1418 -11.1403 -10.7894 -10.7875 -10.7348 -10.7343 -0.4479 -0.4220 1.9779 2.0462 4.2620 4.4522 5.0227 5.0706 5.3557 5.6117 6.2760 6.3894 6.4157 6.7042 6.7056 7.0388 7.9960 8.4004 8.8419 9.0770 9.2242 9.2671 9.6827 9.6978 10.4079 10.4442 13.3649 13.4080 13.9192 13.9746 13.9862 14.0366 k =-0.1709 0.2824 0.3301 ( 3079 PWs) bands (ev): -29.8285 -29.8285 -11.1413 -11.1398 -10.7887 -10.7867 -10.7344 -10.7339 -0.5143 -0.4889 2.0733 2.1430 4.2451 4.4352 5.0072 5.0542 5.3364 5.5930 6.3022 6.4247 6.4337 6.7111 6.7141 7.0511 8.0673 8.4721 8.7877 9.0771 9.1753 9.2846 9.6693 9.6897 10.4128 10.4354 13.4141 13.4597 13.8120 13.8669 13.9677 14.0541 k =-0.1643 0.2715 0.3174 ( 3079 PWs) bands (ev): -29.8286 -29.8286 -11.1409 -11.1393 -10.7880 -10.7860 -10.7339 -10.7335 -0.5791 -0.5542 2.1696 2.2407 4.2273 4.4160 4.9913 5.0358 5.3177 5.5732 6.3268 6.4557 6.4565 6.7166 6.7195 7.0677 8.1448 8.5517 8.7365 9.0720 9.1184 9.2995 9.6603 9.6831 10.4257 10.4359 13.4664 13.5123 13.6798 13.7353 13.9748 14.0740 k =-0.1578 0.2606 0.3047 ( 3085 PWs) bands (ev): -29.8287 -29.8287 -11.1404 -11.1388 -10.7873 -10.7852 -10.7335 -10.7330 -0.6420 -0.6177 2.2666 2.3389 4.2088 4.3948 4.9750 5.0163 5.2996 5.5525 6.3500 6.4812 6.4851 6.7208 6.7230 7.0876 8.2235 8.6379 8.6926 9.0594 9.0622 9.3077 9.6542 9.6772 10.4456 10.4461 13.5150 13.5210 13.5908 13.5959 13.9794 14.0955 k =-0.1512 0.2498 0.2920 ( 3085 PWs) bands (ev): -29.8288 -29.8288 -11.1399 -11.1383 -10.7866 -10.7845 -10.7329 -10.7325 -0.7029 -0.6793 2.3640 2.4375 4.1896 4.3717 4.9587 4.9962 5.2820 5.5312 6.3725 6.5095 6.5108 6.7237 6.7254 7.1097 8.2940 8.6648 8.7285 9.0010 9.0480 9.3091 9.6498 9.6717 10.4641 10.4734 13.3758 13.4473 13.5819 13.6410 13.9764 14.1000 k =-0.1446 0.2389 0.2793 ( 3085 PWs) bands (ev): -29.8289 -29.8289 -11.1394 -11.1378 -10.7859 -10.7837 -10.7324 -10.7320 -0.7617 -0.7388 2.4614 2.5361 4.1698 4.3470 4.9426 4.9762 5.2650 5.5097 6.3947 6.5341 6.5399 6.7253 6.7272 7.1333 8.3392 8.6688 8.8154 8.9510 9.0304 9.3042 9.6466 9.6665 10.4908 10.5068 13.2242 13.2983 13.6424 13.7035 13.9621 14.0490 k =-0.1380 0.2281 0.2666 ( 3089 PWs) bands (ev): -29.8290 -29.8290 -11.1389 -11.1373 -10.7852 -10.7830 -10.7318 -10.7314 -0.8183 -0.7962 2.5586 2.6343 4.1497 4.3210 4.9269 4.9568 5.2485 5.4882 6.4169 6.5555 6.5718 6.7258 6.7286 7.1581 8.3462 8.7163 8.8426 8.9645 9.0101 9.2938 9.6444 9.6618 10.5248 10.5454 13.0707 13.1477 13.7046 13.7694 13.9367 13.9999 k =-0.1315 0.2172 0.2539 ( 3093 PWs) bands (ev): -29.8291 -29.8290 -11.1384 -11.1368 -10.7845 -10.7824 -10.7311 -10.7308 -0.8726 -0.8514 2.6551 2.7318 4.1294 4.2939 4.9118 4.9386 5.2325 5.4671 6.4394 6.5751 6.6043 6.7258 6.7293 7.1838 8.3242 8.7954 8.7971 8.9885 9.0525 9.2793 9.6440 9.6586 10.5649 10.5886 12.9176 12.9973 13.7646 13.8366 13.9045 13.9576 k =-0.1249 0.2063 0.2412 ( 3087 PWs) bands (ev): -29.8291 -29.8291 -11.1379 -11.1362 -10.7838 -10.7817 -10.7304 -10.7301 -0.9246 -0.9043 2.7507 2.8283 4.1089 4.2658 4.8977 4.9219 5.2171 5.4466 6.4620 6.5936 6.6359 6.7267 6.7291 7.2105 8.2889 8.7412 8.8841 8.9705 9.1475 9.2638 9.6474 9.6584 10.6100 10.6353 12.7664 12.8485 13.8078 13.8595 13.9142 13.9361 k =-0.1183 0.1955 0.2285 ( 3091 PWs) bands (ev): -29.8292 -29.8292 -11.1374 -11.1358 -10.7831 -10.7811 -10.7297 -10.7294 -0.9743 -0.9548 2.8449 2.9232 4.0884 4.2372 4.8846 4.9072 5.2023 5.4269 6.4849 6.6111 6.6624 6.7275 6.7328 7.2381 8.2487 8.6846 8.9214 9.0050 9.2100 9.2727 9.6590 9.6643 10.6590 10.6849 12.6185 12.7024 13.8042 13.8208 13.9649 13.9848 k =-0.1117 0.1846 0.2158 ( 3095 PWs) bands (ev): -29.8293 -29.8293 -11.1369 -11.1353 -10.7825 -10.7805 -10.7290 -10.7287 -1.0214 -1.0029 2.9373 3.0162 4.0680 4.2083 4.8729 4.8946 5.1882 5.4082 6.5078 6.6278 6.6762 6.7244 6.7517 7.2667 8.2077 8.6289 8.9020 9.0885 9.2003 9.3351 9.6813 9.6876 10.7110 10.7365 12.4749 12.5601 13.7695 13.7783 14.0275 14.0589 k =-0.1052 0.1738 0.2031 ( 3079 PWs) bands (ev): -29.8294 -29.8294 -11.1363 -11.1348 -10.7818 -10.7799 -10.7281 -10.7279 -1.0661 -1.0486 3.0276 3.1068 4.0480 4.1793 4.8626 4.8844 5.1748 5.3906 6.5304 6.6437 6.6775 6.7194 6.7835 7.2961 8.1679 8.5748 8.8769 9.1608 9.1762 9.3824 9.7165 9.7431 10.7651 10.7896 12.3369 12.4224 13.7268 13.7344 14.1004 14.1343 k =-0.0986 0.1629 0.1904 ( 3075 PWs) bands (ev): -29.8295 -29.8295 -11.1358 -11.1344 -10.7813 -10.7794 -10.7273 -10.7271 -1.1082 -1.0917 3.1152 3.1945 4.0285 4.1505 4.8539 4.8769 5.1622 5.3743 6.5524 6.6585 6.6727 6.7128 6.8219 7.3264 8.1304 8.5227 8.8510 9.1491 9.2099 9.4013 9.7756 9.8267 10.8207 10.8434 12.2052 12.2902 13.6814 13.6893 14.1773 14.2101 k =-0.0920 0.1520 0.1777 ( 3075 PWs) bands (ev): -29.8296 -29.8296 -11.1354 -11.1339 -10.7807 -10.7789 -10.7265 -10.7263 -1.1478 -1.1323 3.1996 3.2787 4.0095 4.1221 4.8470 4.8721 5.1505 5.3593 6.5731 6.6657 6.6708 6.7059 6.8640 7.3572 8.0960 8.4727 8.8252 9.1209 9.2336 9.3982 9.8592 9.9292 10.8770 10.8974 12.0808 12.1642 13.6348 13.6431 14.2560 14.2851 k =-0.0854 0.1412 0.1650 ( 3081 PWs) bands (ev): -29.8297 -29.8297 -11.1349 -11.1336 -10.7802 -10.7785 -10.7257 -10.7256 -1.1847 -1.1702 3.2803 3.3587 3.9913 4.0945 4.8420 4.8701 5.1398 5.3456 6.5906 6.6592 6.6748 6.7047 6.9083 7.3884 8.0654 8.4252 8.7999 9.0920 9.2362 9.3810 9.9617 10.0416 10.9337 10.9510 11.9647 12.0452 13.5873 13.5956 14.3355 14.3577 k =-0.0789 0.1303 0.1523 ( 3081 PWs) bands (ev): -29.8297 -29.8297 -11.1345 -11.1332 -10.7798 -10.7782 -10.7250 -10.7248 -1.2190 -1.2056 3.3570 3.4341 3.9741 4.0677 4.8389 4.8709 5.1304 5.3333 6.6012 6.6576 6.6661 6.7133 6.9545 7.4192 8.0392 8.3805 8.7754 9.0630 9.2239 9.3541 10.0765 10.1579 10.9902 11.0037 11.8576 11.9338 13.5390 13.5469 14.4142 14.4240 k =-0.0723 0.1195 0.1396 ( 3085 PWs) bands (ev): -29.8298 -29.8298 -11.1341 -11.1329 -10.7793 -10.7779 -10.7242 -10.7241 -1.2506 -1.2382 3.4290 3.5043 3.9579 4.0421 4.8378 4.8743 5.1224 5.3222 6.6006 6.6514 6.6654 6.7254 7.0022 7.4492 8.0179 8.3386 8.7518 9.0341 9.2015 9.3200 10.1977 10.2744 11.0464 11.0550 11.7601 11.8306 13.4898 13.4968 14.4799 14.4897 k =-0.0657 0.1086 0.1269 ( 3081 PWs) bands (ev): -29.8299 -29.8299 -11.1337 -11.1326 -10.7789 -10.7776 -10.7234 -10.7234 -1.2795 -1.2682 3.4960 3.5687 3.9429 4.0178 4.8387 4.8800 5.1162 5.3123 6.5917 6.6341 6.6798 6.7379 7.0510 7.4773 8.0022 8.2999 8.7294 9.0053 9.1726 9.2803 10.3212 10.3885 11.1020 11.1043 11.6728 11.7364 13.4399 13.4455 14.5251 14.5532 k =-0.0592 0.0977 0.1143 ( 3079 PWs) bands (ev): -29.8300 -29.8299 -11.1334 -11.1323 -10.7786 -10.7773 -10.7227 -10.7227 -1.3056 -1.2954 3.5575 3.6269 3.9293 3.9949 4.8413 4.8874 5.1123 5.3033 6.5791 6.6152 6.6963 6.7498 7.1006 7.5026 7.9926 8.2645 8.7082 8.9766 9.1398 9.2363 10.4439 10.4976 11.1509 11.1570 11.5962 11.6518 13.3891 13.3930 14.5626 14.5951 k =-0.0526 0.0869 0.1016 ( 3081 PWs) bands (ev): -29.8300 -29.8300 -11.1330 -11.1321 -10.7782 -10.7771 -10.7221 -10.7220 -1.3290 -1.3199 3.6132 3.6786 3.9172 3.9736 4.8457 4.8958 5.1111 5.2951 6.5650 6.5956 6.7129 6.7609 7.1506 7.5237 7.9897 8.2328 8.6885 8.9480 9.1052 9.1894 10.5629 10.5996 11.1938 11.2113 11.5305 11.5782 13.3380 13.3397 14.5933 14.6242 k =-0.0460 0.0760 0.0889 ( 3077 PWs) bands (ev): -29.8301 -29.8301 -11.1327 -11.1319 -10.7779 -10.7770 -10.7214 -10.7214 -1.3496 -1.3416 3.6629 3.7236 3.9066 3.9540 4.8515 4.9040 5.1133 5.2873 6.5506 6.5759 6.7288 6.7708 7.2004 7.5398 7.9937 8.2049 8.6704 8.9188 9.0707 9.1413 10.6754 10.6921 11.2308 11.2643 11.4762 11.5179 13.2863 13.2868 14.6174 14.6449 k =-0.0394 0.0652 0.0762 ( 3073 PWs) bands (ev): -29.8301 -29.8301 -11.1324 -11.1317 -10.7777 -10.7768 -10.7209 -10.7209 -1.3674 -1.3606 3.7064 3.7617 3.8977 3.9360 4.8584 4.9111 5.1192 5.2795 6.5365 6.5568 6.7435 6.7795 7.2494 7.5499 8.0039 8.1808 8.6547 8.8885 9.0378 9.0942 10.7732 10.7786 11.2580 11.3139 11.4346 11.4752 13.2337 13.2364 14.6344 14.6578 k =-0.0329 0.0543 0.0635 ( 3065 PWs) bands (ev): -29.8301 -29.8301 -11.1322 -11.1316 -10.7774 -10.7767 -10.7204 -10.7204 -1.3824 -1.3767 3.7438 3.7932 3.8906 3.9199 4.8662 4.9160 5.1291 5.2712 6.5233 6.5391 6.7568 6.7866 7.2970 7.5538 8.0192 8.1607 8.6421 8.8561 9.0082 9.0506 10.8419 10.8688 11.2696 11.3483 11.4157 11.4565 13.1835 13.1881 14.6447 14.6636 k =-0.0263 0.0434 0.0508 ( 3063 PWs) bands (ev): -29.8302 -29.8302 -11.1320 -11.1315 -10.7772 -10.7766 -10.7200 -10.7200 -1.3946 -1.3900 3.7752 3.8182 3.8851 3.9055 4.8745 4.9185 5.1424 5.2621 6.5117 6.5234 6.7684 6.7922 7.3424 7.5517 8.0374 8.1443 8.6340 8.8208 8.9832 9.0130 10.8980 10.9422 11.2660 11.3449 11.4388 11.4624 13.1376 13.1433 14.6497 14.6641 k =-0.0197 0.0326 0.0381 ( 3065 PWs) bands (ev): -29.8302 -29.8302 -11.1318 -11.1314 -10.7771 -10.7766 -10.7197 -10.7197 -1.4040 -1.4006 3.8008 3.8368 3.8812 3.8929 4.8829 4.9183 5.1584 5.2517 6.5021 6.5103 6.7782 6.7960 7.3847 7.5437 8.0564 8.1312 8.6320 8.7830 8.9635 8.9833 10.9424 10.9945 11.2585 11.3278 11.4751 11.4823 13.0983 13.1041 14.6512 14.6614 k =-0.0131 0.0217 0.0254 ( 3065 PWs) bands (ev): -29.8302 -29.8302 -11.1316 -11.1314 -10.7769 -10.7766 -10.7195 -10.7195 -1.4105 -1.4082 3.8211 3.8491 3.8786 3.8826 4.8912 4.9159 5.1757 5.2397 6.4951 6.5003 6.7861 6.7980 7.4233 7.5301 8.0740 8.1204 8.6379 8.7444 8.9499 8.9618 10.9769 11.0231 11.2577 11.3109 11.5048 11.5055 13.0683 13.0731 14.6511 14.6576 k =-0.0066 0.0109 0.0127 ( 3065 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1314 -10.7768 -10.7767 -10.7193 -10.7193 -1.4142 -1.4131 3.8368 3.8534 3.8760 3.8766 4.8989 4.9116 5.1934 5.2259 6.4912 6.4936 6.7921 6.7980 7.4575 7.5111 8.0889 8.1109 8.6527 8.7079 8.9427 8.9483 11.0032 11.0300 11.2659 11.2950 11.5225 11.5244 13.0498 13.0525 14.6509 14.6541 k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7767 -10.7767 -10.7193 -10.7193 -1.4151 -1.4151 3.8482 3.8482 3.8752 3.8752 4.9058 4.9058 5.2103 5.2103 6.4906 6.4906 6.7961 6.7961 7.4869 7.4869 8.1008 8.1008 8.6765 8.6765 8.9420 8.9420 11.0216 11.0216 11.2796 11.2796 11.5299 11.5299 13.0444 13.0444 14.6518 14.6518 k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7767 -10.7767 -10.7193 -10.7193 -1.4151 -1.4151 3.8482 3.8482 3.8752 3.8752 4.9058 4.9058 5.2103 5.2103 6.4906 6.4906 6.7961 6.7961 7.4869 7.4869 8.1008 8.1008 8.6765 8.6765 8.9420 8.9420 11.0216 11.0216 11.2796 11.2796 11.5299 11.5299 13.0444 13.0444 14.6518 14.6518 k = 0.0152 0.0092-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7767 -10.7767 -10.7193 -10.7193 -1.4141 -1.4141 3.8478 3.8478 3.8718 3.8718 4.9057 4.9057 5.2109 5.2109 6.4822 6.4822 6.7961 6.7961 7.5006 7.5006 8.1022 8.1022 8.6737 8.6737 8.9391 8.9391 11.0242 11.0242 11.2809 11.2809 11.5338 11.5338 13.0449 13.0449 14.6511 14.6511 k = 0.0303 0.0183-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7768 -10.7768 -10.7193 -10.7193 -1.4111 -1.4111 3.8466 3.8466 3.8617 3.8617 4.9052 4.9052 5.2127 5.2127 6.4584 6.4584 6.7963 6.7963 7.5402 7.5402 8.1062 8.1062 8.6652 8.6652 8.9305 8.9305 11.0319 11.0319 11.2853 11.2853 11.5455 11.5455 13.0465 13.0465 14.6490 14.6490 k = 0.0455 0.0275-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1315 -11.1315 -10.7768 -10.7768 -10.7193 -10.7193 -1.4061 -1.4061 3.8447 3.8447 3.8449 3.8449 4.9045 4.9045 5.2156 5.2156 6.4227 6.4227 6.7965 6.7965 7.6018 7.6018 8.1127 8.1127 8.6514 8.6514 8.9163 8.9163 11.0441 11.0441 11.2930 11.2930 11.5646 11.5646 13.0491 13.0491 14.6455 14.6455 k = 0.0606 0.0367-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1316 -11.1316 -10.7770 -10.7770 -10.7193 -10.7193 -1.3991 -1.3991 3.8215 3.8215 3.8421 3.8421 4.9038 4.9038 5.2197 5.2197 6.3793 6.3793 6.7969 6.7969 7.6812 7.6812 8.1219 8.1219 8.6327 8.6327 8.8969 8.8969 11.0597 11.0597 11.3050 11.3050 11.5908 11.5908 13.0527 13.0527 14.6407 14.6407 k = 0.0758 0.0459-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1317 -11.1317 -10.7771 -10.7771 -10.7193 -10.7193 -1.3902 -1.3902 3.7918 3.7918 3.8388 3.8388 4.9030 4.9030 5.2250 5.2250 6.3316 6.3316 6.7973 6.7973 7.7739 7.7739 8.1334 8.1334 8.6097 8.6097 8.8727 8.8727 11.0775 11.0775 11.3223 11.3223 11.6238 11.6238 13.0574 13.0574 14.6345 14.6345 k = 0.0909 0.0550-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1319 -11.1319 -10.7773 -10.7773 -10.7193 -10.7193 -1.3795 -1.3795 3.7560 3.7560 3.8348 3.8348 4.9024 4.9024 5.2313 5.2313 6.2823 6.2823 6.7978 6.7978 7.8766 7.8766 8.1473 8.1473 8.5832 8.5832 8.8442 8.8442 11.0960 11.0960 11.3459 11.3459 11.6628 11.6628 13.0631 13.0631 14.6271 14.6271 k = 0.1061 0.0642-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1320 -11.1320 -10.7775 -10.7775 -10.7193 -10.7193 -1.3669 -1.3669 3.7145 3.7145 3.8302 3.8302 4.9021 4.9021 5.2387 5.2387 6.2334 6.2334 6.7985 6.7985 7.9858 7.9858 8.1634 8.1634 8.5546 8.5546 8.8119 8.8119 11.1144 11.1144 11.3767 11.3767 11.7074 11.7074 13.0700 13.0700 14.6185 14.6185 k = 0.1212 0.0734-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1322 -11.1322 -10.7778 -10.7778 -10.7194 -10.7194 -1.3525 -1.3525 3.6676 3.6676 3.8250 3.8250 4.9021 4.9021 5.2472 5.2472 6.1861 6.1861 6.7992 6.7992 8.0979 8.0979 8.1814 8.1814 8.5261 8.5261 8.7765 8.7765 11.1320 11.1320 11.4148 11.4148 11.7567 11.7567 13.0779 13.0779 14.6088 14.6767 k = 0.1364 0.0825 0.0000 ( 3084 PWs) bands (ev): -29.8302 -29.8302 -11.1325 -11.1325 -10.7781 -10.7781 -10.7195 -10.7195 -1.3364 -1.3364 3.6160 3.6160 3.8193 3.8193 4.9027 4.9027 5.2567 5.2567 6.1409 6.1409 6.8000 6.8000 8.2011 8.2011 8.2055 8.2055 8.5040 8.5040 8.7385 8.7385 11.1493 11.1493 11.4598 11.4598 11.8102 11.8102 13.0869 13.0869 14.6122 14.6124 k = 0.1515 0.0917-0.0000 ( 3072 PWs) bands (ev): -29.8302 -29.8302 -11.1326 -11.1326 -10.7784 -10.7784 -10.7194 -10.7194 -1.3188 -1.3188 3.5601 3.5601 3.8132 3.8132 4.9038 4.9038 5.2671 5.2671 6.0985 6.0985 6.8009 6.8009 8.2222 8.2222 8.2885 8.2885 8.5077 8.5077 8.6987 8.6987 11.1670 11.1670 11.5109 11.5109 11.8671 11.8671 13.0971 13.0971 14.5494 14.5494 k = 0.1667 0.1009-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1328 -11.1328 -10.7787 -10.7787 -10.7195 -10.7195 -1.2996 -1.2996 3.5006 3.5006 3.8066 3.8066 4.9054 4.9054 5.2784 5.2784 6.0591 6.0591 6.8019 6.8019 8.2443 8.2443 8.3136 8.3136 8.5697 8.5697 8.6577 8.6577 11.1859 11.1859 11.5671 11.5671 11.9267 11.9267 13.1084 13.1084 14.4883 14.4883 k = 0.1818 0.1100-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1331 -11.1331 -10.7790 -10.7790 -10.7195 -10.7195 -1.2791 -1.2791 3.4381 3.4381 3.7998 3.7998 4.9075 4.9075 5.2906 5.2906 6.0226 6.0226 6.8030 6.8030 8.2667 8.2667 8.2949 8.2949 8.6165 8.6165 8.6751 8.6751 11.2072 11.2072 11.6272 11.6272 11.9882 11.9882 13.1209 13.1209 14.4297 14.4297 k = 0.1970 0.1192-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1333 -11.1333 -10.7793 -10.7793 -10.7195 -10.7195 -1.2573 -1.2573 3.3731 3.3731 3.7926 3.7926 4.9102 4.9102 5.3034 5.3034 5.9891 5.9891 6.8041 6.8041 8.2605 8.2605 8.2883 8.2883 8.5764 8.5764 8.7950 8.7950 11.2319 11.2319 11.6904 11.6904 12.0508 12.0508 13.1345 13.1345 14.3743 14.3743 k = 0.2121 0.1284-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1336 -11.1336 -10.7797 -10.7797 -10.7195 -10.7195 -1.2344 -1.2344 3.3065 3.3065 3.7853 3.7853 4.9132 4.9132 5.3169 5.3169 5.9585 5.9585 6.8053 6.8053 8.2205 8.2205 8.3073 8.3073 8.5394 8.5394 8.9187 8.9187 11.2612 11.2612 11.7557 11.7557 12.1138 12.1138 13.1493 13.1493 14.3225 14.3225 k = 0.2273 0.1376-0.0000 ( 3060 PWs) bands (ev): -29.8302 -29.8302 -11.1338 -11.1338 -10.7800 -10.7800 -10.7195 -10.7195 -1.2105 -1.2105 3.2387 3.2387 3.7779 3.7779 4.9166 4.9166 5.3310 5.3310 5.9306 5.9306 6.8065 6.8065 8.1782 8.1782 8.3200 8.3200 8.5094 8.5094 9.0420 9.0420 11.2962 11.2962 11.8223 11.8223 12.1764 12.1764 13.1653 13.1653 14.2748 14.2748 k = 0.2424 0.1467-0.0000 ( 3068 PWs) bands (ev): -29.8302 -29.8302 -11.1341 -11.1341 -10.7804 -10.7804 -10.7196 -10.7196 -1.1858 -1.1858 3.1704 3.1704 3.7703 3.7703 4.9203 4.9203 5.3455 5.3455 5.9055 5.9055 6.8078 6.8078 8.1350 8.1350 8.3207 8.3207 8.4922 8.4922 9.1624 9.1624 11.3378 11.3378 11.8894 11.8894 12.2378 12.2378 13.1825 13.1825 14.2314 14.2314 k = 0.2576 0.1559-0.0000 ( 3076 PWs) bands (ev): -29.8302 -29.8302 -11.1344 -11.1344 -10.7808 -10.7808 -10.7196 -10.7196 -1.1605 -1.1605 3.1023 3.1023 3.7628 3.7628 4.9241 4.9241 5.3604 5.3604 5.8829 5.8829 6.8090 6.8090 8.0919 8.0919 8.3056 8.3056 8.4915 8.4915 9.2781 9.2781 11.3871 11.3871 11.9564 11.9564 12.2972 12.2972 13.2008 13.2008 14.1929 14.1929 k = 0.2727 0.1651-0.0000 ( 3068 PWs) bands (ev): -29.8301 -29.8301 -11.1346 -11.1346 -10.7812 -10.7812 -10.7196 -10.7196 -1.1348 -1.1348 3.0348 3.0348 3.7554 3.7554 4.9280 4.9280 5.3755 5.3755 5.8628 5.8628 6.8103 6.8103 8.0492 8.0492 8.2783 8.2783 8.5041 8.5041 9.3877 9.3877 11.4450 11.4450 12.0224 12.0224 12.3539 12.3539 13.2202 13.2202 14.1594 14.1594 k = 0.2879 0.1742 0.0000 ( 3068 PWs) bands (ev): -29.8301 -29.8301 -11.1349 -11.1349 -10.7815 -10.7815 -10.7197 -10.7197 -1.1089 -1.1089 2.9686 2.9686 3.7482 3.7482 4.9318 4.9318 5.3907 5.3907 5.8450 5.8450 6.8116 6.8116 8.0075 8.0075 8.2446 8.2446 8.5240 8.5240 9.4899 9.4899 11.5121 11.5121 12.0869 12.0869 12.4070 12.4070 13.2407 13.2407 14.1314 14.1314 k = 0.3030 0.1834-0.0000 ( 3068 PWs) bands (ev): -29.8301 -29.8301 -11.1351 -11.1351 -10.7818 -10.7818 -10.7197 -10.7197 -1.0831 -1.0831 2.9041 2.9041 3.7411 3.7411 4.9356 4.9356 5.4058 5.4058 5.8293 5.8293 6.8129 6.8129 7.9672 7.9672 8.2084 8.2084 8.5472 8.5472 9.5837 9.5837 11.5888 11.5888 12.1494 12.1494 12.4560 12.4560 13.2622 13.2622 14.1089 14.1089 k = 0.3182 0.1926 0.0000 ( 3072 PWs) bands (ev): -29.8301 -29.8301 -11.1354 -11.1354 -10.7822 -10.7822 -10.7197 -10.7197 -1.0575 -1.0575 2.8419 2.8419 3.7343 3.7343 4.9391 4.9391 5.4207 5.4207 5.8156 5.8156 6.8142 6.8142 7.9285 7.9285 8.1720 8.1720 8.5719 8.5719 9.6684 9.6684 11.6748 11.6748 12.2094 12.2094 12.5004 12.5005 13.2846 13.2846 14.0920 14.0920 k = 0.3333 0.2017-0.0000 ( 3064 PWs) bands (ev): -29.8301 -29.8301 -11.1356 -11.1356 -10.7825 -10.7825 -10.7197 -10.7197 -1.0326 -1.0326 2.7824 2.7824 3.7279 3.7279 4.9425 4.9425 5.4352 5.4352 5.8039 5.8039 6.8154 6.8154 7.8917 7.8917 8.1363 8.1363 8.5967 8.5967 9.7437 9.7437 11.7694 11.7694 12.2668 12.2668 12.5399 12.5399 13.3079 13.3079 14.0808 14.0808 k = 0.3485 0.2109 0.0000 ( 3064 PWs) bands (ev): -29.8301 -29.8301 -11.1358 -11.1358 -10.7828 -10.7828 -10.7198 -10.7198 -1.0084 -1.0084 2.7262 2.7262 3.7218 3.7218 4.9455 4.9455 5.4493 5.4493 5.7939 5.7939 6.8166 6.8166 7.8571 7.8571 8.1021 8.1021 8.6209 8.6209 9.8096 9.8096 11.8711 11.8711 12.3217 12.3217 12.5742 12.5742 13.3317 13.3317 14.0749 14.0749 k = 0.3636 0.2201-0.0000 ( 3072 PWs) bands (ev): -29.8301 -29.8301 -11.1361 -11.1361 -10.7831 -10.7831 -10.7198 -10.7198 -0.9854 -0.9854 2.6738 2.6738 3.7161 3.7161 4.9483 4.9483 5.4626 5.4626 5.7855 5.7855 6.8177 6.8177 7.8250 7.8250 8.0700 8.0700 8.6440 8.6440 9.8665 9.8665 11.9773 11.9773 12.3749 12.3749 12.6035 12.6035 13.3558 13.3558 14.0739 14.0739 k = 0.3788 0.2293-0.0000 ( 3084 PWs) bands (ev): -29.8301 -29.8301 -11.1363 -11.1363 -10.7834 -10.7834 -10.7198 -10.7198 -0.9637 -0.9637 2.6254 2.6254 3.7109 3.7109 4.9507 4.9507 5.4751 5.4751 5.7786 5.7786 6.8187 6.8187 7.7956 7.7956 8.0404 8.0404 8.6657 8.6657 9.9150 9.9150 12.0839 12.0839 12.4284 12.4284 12.6278 12.6278 13.3799 13.3799 14.0773 14.0773 k = 0.3939 0.2384-0.0000 ( 3092 PWs) bands (ev): -29.8301 -29.8301 -11.1365 -11.1365 -10.7837 -10.7837 -10.7199 -10.7199 -0.9438 -0.9438 2.5816 2.5816 3.7063 3.7063 4.9527 4.9527 5.4866 5.4866 5.7729 5.7729 6.8196 6.8196 7.7691 7.7691 8.0135 8.0135 8.6855 8.6855 9.9556 9.9556 12.1847 12.1847 12.4859 12.4859 12.6477 12.6477 13.4035 13.4035 14.0839 14.0839 k = 0.4091 0.2476-0.0000 ( 3084 PWs) bands (ev): -29.8301 -29.8301 -11.1366 -11.1366 -10.7839 -10.7839 -10.7199 -10.7199 -0.9258 -0.9258 2.5428 2.5428 3.7022 3.7022 4.9545 4.9545 5.4970 5.4970 5.7684 5.7684 6.8205 6.8205 7.7456 7.7456 7.9896 7.9896 8.7033 8.7033 9.9892 9.9892 12.2716 12.2716 12.5526 12.5526 12.6636 12.6636 13.4261 13.4261 14.0927 14.0927 k = 0.4242 0.2568-0.0000 ( 3100 PWs) bands (ev): -29.8301 -29.8301 -11.1368 -11.1368 -10.7841 -10.7841 -10.7199 -10.7199 -0.9101 -0.9101 2.5093 2.5093 3.6986 3.6986 4.9559 4.9559 5.5060 5.5060 5.7649 5.7649 6.8212 6.8212 7.7255 7.7255 7.9690 7.9690 8.7187 8.7187 10.0164 10.0164 12.3381 12.3381 12.6313 12.6313 12.6760 12.6760 13.4471 13.4471 14.1021 14.1021 k = 0.4394 0.2659-0.0000 ( 3100 PWs) bands (ev): -29.8301 -29.8301 -11.1369 -11.1369 -10.7843 -10.7843 -10.7199 -10.7199 -0.8968 -0.8968 2.4814 2.4814 3.6957 3.6957 4.9571 4.9571 5.5136 5.5136 5.7622 5.7622 6.8218 6.8218 7.7088 7.7088 7.9519 7.9519 8.7316 8.7316 10.0377 10.0377 12.3843 12.3843 12.6853 12.6853 12.7175 12.7175 13.4656 13.4656 14.1110 14.1110 k = 0.4545 0.2751-0.0000 ( 3096 PWs) bands (ev): -29.8301 -29.8301 -11.1370 -11.1370 -10.7844 -10.7844 -10.7200 -10.7200 -0.8863 -0.8863 2.4594 2.4594 3.6934 3.6934 4.9579 4.9579 5.5197 5.5197 5.7603 5.7603 6.8223 6.8223 7.6956 7.6956 7.9384 7.9384 8.7418 8.7418 10.0538 10.0538 12.4149 12.4149 12.6920 12.6920 12.8012 12.8012 13.4811 13.4811 14.1180 14.1180 k = 0.4697 0.2843-0.0000 ( 3112 PWs) bands (ev): -29.8301 -29.8301 -11.1371 -11.1371 -10.7845 -10.7845 -10.7200 -10.7200 -0.8786 -0.8786 2.4435 2.4435 3.6917 3.6917 4.9585 4.9585 5.5240 5.5240 5.7590 5.7590 6.8226 6.8226 7.6861 7.6861 7.9287 7.9287 8.7491 8.7491 10.0650 10.0650 12.4342 12.4342 12.6965 12.6965 12.8712 12.8712 13.4928 13.4928 14.1225 14.1225 k = 0.4848 0.2934-0.0000 ( 3112 PWs) bands (ev): -29.8301 -29.8301 -11.1372 -11.1372 -10.7846 -10.7846 -10.7200 -10.7200 -0.8740 -0.8740 2.4339 2.4339 3.6907 3.6907 4.9589 4.9589 5.5267 5.5267 5.7583 5.7583 6.8229 6.8229 7.6804 7.6804 7.9228 7.9228 8.7536 8.7536 10.0716 10.0716 12.4449 12.4449 12.6991 12.6991 12.9180 12.9180 13.5001 13.5001 14.1247 14.1247 k = 0.5000 0.3026 0.0000 ( 3116 PWs) bands (ev): -29.8301 -29.8301 -11.1372 -11.1372 -10.7846 -10.7846 -10.7200 -10.7200 -0.8724 -0.8724 2.4307 2.4307 3.6904 3.6904 4.9590 4.9590 5.5276 5.5276 5.7580 5.7580 6.8229 6.8229 7.6785 7.6785 7.9208 7.9208 8.7551 8.7551 10.0738 10.0738 12.4483 12.4483 12.7000 12.7000 12.9344 12.9344 13.5026 13.5026 14.1253 14.1253 k = 0.5000 0.3026 0.0000 ( 3116 PWs) bands (ev): -29.8301 -29.8301 -11.1372 -11.1372 -10.7846 -10.7846 -10.7200 -10.7200 -0.8724 -0.8724 2.4307 2.4307 3.6904 3.6904 4.9590 4.9590 5.5276 5.5276 5.7580 5.7580 6.8229 6.8229 7.6785 7.6785 7.9208 7.9208 8.7551 8.7551 10.0738 10.0738 12.4483 12.4483 12.7000 12.7000 12.9344 12.9344 13.5026 13.5026 14.1253 14.1253 k = 0.4934 0.3135 0.0127 ( 3116 PWs) bands (ev): -29.8301 -29.8301 -11.1373 -11.1372 -10.7847 -10.7845 -10.7201 -10.7201 -0.8722 -0.8702 2.4312 2.4320 3.6829 3.6944 4.9519 4.9666 5.5124 5.5408 5.7452 5.7725 6.8184 6.8236 7.6583 7.6921 7.8958 7.9351 8.7540 8.7721 10.0717 10.0894 12.4278 12.4608 12.6897 12.6997 12.9287 12.9477 13.5039 13.5063 14.0998 14.1245 k = 0.4868 0.3244 0.0254 ( 3116 PWs) bands (ev): -29.8301 -29.8301 -11.1373 -11.1372 -10.7847 -10.7845 -10.7202 -10.7202 -0.8696 -0.8655 2.4335 2.4350 3.6722 3.6950 4.9454 4.9747 5.4949 5.5523 5.7345 5.7883 6.8104 6.8199 7.6307 7.6988 7.8648 7.9374 8.7697 8.8015 10.0833 10.1186 12.3976 12.4646 12.6683 12.6949 12.9318 12.9641 13.5098 13.5149 14.0530 14.0991 k = 0.4802 0.3353 0.0382 ( 3108 PWs) bands (ev): -29.8301 -29.8301 -11.1374 -11.1372 -10.7848 -10.7844 -10.7204 -10.7204 -0.8645 -0.8584 2.4374 2.4397 3.6581 3.6922 4.9394 4.9833 5.4751 5.5625 5.7261 5.8050 6.7995 6.8114 7.5947 7.6968 7.8342 7.9312 8.7997 8.8385 10.1088 10.1611 12.3561 12.4557 12.6432 12.6915 12.9409 12.9795 13.5190 13.5276 13.9921 14.0565 k = 0.4737 0.3462 0.0509 ( 3104 PWs) bands (ev): -29.8300 -29.8300 -11.1375 -11.1372 -10.7849 -10.7844 -10.7207 -10.7207 -0.8570 -0.8489 2.4429 2.4459 3.6409 3.6860 4.9340 4.9925 5.4532 5.5719 5.7201 5.8222 6.7860 6.7976 7.5503 7.6836 7.8084 7.9226 8.8396 8.8790 10.1485 10.2171 12.3026 12.4265 12.6260 12.6932 12.9522 12.9915 13.5301 13.5428 13.9232 14.0031 k = 0.4671 0.3570 0.0636 ( 3098 PWs) bands (ev): -29.8300 -29.8300 -11.1376 -11.1372 -10.7850 -10.7844 -10.7210 -10.7210 -0.8471 -0.8370 2.4497 2.4534 3.6207 3.6764 4.9292 5.0022 5.4295 5.5806 5.7163 5.8397 6.7703 6.7780 7.4994 7.6578 7.7894 7.9172 8.8843 8.9195 10.2025 10.2860 12.2379 12.3744 12.6229 12.7012 12.9632 12.9990 13.5403 13.5581 13.8519 13.9438 k = 0.4605 0.3679 0.0763 ( 3102 PWs) bands (ev): -29.8300 -29.8300 -11.1378 -11.1373 -10.7852 -10.7844 -10.7215 -10.7215 -0.8348 -0.8227 2.4575 2.4619 3.5978 3.6636 4.9251 5.0124 5.4044 5.5890 5.7146 5.8571 6.7525 6.7527 7.4451 7.6209 7.7769 7.9176 8.9295 8.9578 10.2707 10.3671 12.1629 12.3040 12.6311 12.7155 12.9722 13.0016 13.5456 13.5702 13.7835 13.8814 k = 0.4539 0.3788 0.0891 ( 3098 PWs) bands (ev): -29.8299 -29.8299 -11.1379 -11.1374 -10.7853 -10.7845 -10.7220 -10.7220 -0.8201 -0.8060 2.4661 2.4710 3.5725 3.6479 4.9216 5.0231 5.3785 5.5974 5.7149 5.8744 6.7216 6.7332 7.3902 7.5761 7.7700 7.9231 8.9722 8.9927 10.3523 10.4592 12.0789 12.2206 12.6463 12.7356 12.9785 12.9994 13.5396 13.5744 13.7249 13.8177 k = 0.4473 0.3897 0.1018 ( 3094 PWs) bands (ev): -29.8299 -29.8299 -11.1381 -11.1375 -10.7855 -10.7845 -10.7226 -10.7226 -0.8030 -0.7869 2.4747 2.4802 3.5452 3.6295 4.9187 5.0343 5.3522 5.6057 5.7168 5.8915 6.6853 6.7123 7.3366 7.5269 7.7678 7.9325 9.0109 9.0234 10.4461 10.5607 11.9870 12.1280 12.6655 12.7608 12.9821 12.9925 13.5146 13.5656 13.6819 13.7513 k = 0.4407 0.4006 0.1145 ( 3086 PWs) bands (ev): -29.8298 -29.8298 -11.1383 -11.1376 -10.7857 -10.7846 -10.7232 -10.7232 -0.7835 -0.7654 2.4828 2.4889 3.5167 3.6092 4.9166 5.0460 5.3261 5.6142 5.7203 5.9083 6.6444 6.6902 7.2853 7.4761 7.7695 7.9445 9.0445 9.0498 10.5503 10.6692 11.8878 12.0284 12.6865 12.7907 12.9812 12.9835 13.4721 13.5402 13.6486 13.6775 k = 0.4341 0.4115 0.1272 ( 3082 PWs) bands (ev): -29.8297 -29.8297 -11.1385 -11.1378 -10.7859 -10.7847 -10.7239 -10.7239 -0.7616 -0.7416 2.4895 2.4962 3.4877 3.5875 4.9152 5.0581 5.3008 5.6229 5.7251 5.9249 6.6000 6.6670 7.2369 7.4255 7.7749 7.9583 9.0722 9.0731 10.6627 10.7821 11.7822 11.9241 12.7071 12.8247 12.9659 12.9838 13.4214 13.4993 13.5933 13.6093 k = 0.4275 0.4223 0.1399 ( 3078 PWs) bands (ev): -29.8297 -29.8297 -11.1387 -11.1380 -10.7862 -10.7848 -10.7246 -10.7246 -0.7373 -0.7154 2.4938 2.5013 3.4594 3.5654 4.9145 5.0705 5.2766 5.6319 5.7310 5.9412 6.5532 6.6429 7.1911 7.3763 7.7834 7.9733 9.0908 9.0970 10.7804 10.8950 11.6710 11.8181 12.7244 12.8620 12.9477 12.9855 13.3692 13.4436 13.5054 13.5556 k = 0.4210 0.4332 0.1527 ( 3078 PWs) bands (ev): -29.8296 -29.8296 -11.1390 -11.1382 -10.7864 -10.7850 -10.7254 -10.7253 -0.7107 -0.6870 2.4943 2.5028 3.4331 3.5443 4.9145 5.0829 5.2542 5.6412 5.7381 5.9572 6.5052 6.6181 7.1476 7.3295 7.7947 7.9894 9.1060 9.1165 10.9001 11.0010 11.5553 11.7160 12.7348 12.8974 12.9323 12.9922 13.3170 13.3636 13.4329 13.4920 k = 0.4144 0.4441 0.1654 ( 3078 PWs) bands (ev): -29.8295 -29.8295 -11.1392 -11.1384 -10.7867 -10.7852 -10.7262 -10.7261 -0.6818 -0.6562 2.4898 2.4997 3.4104 3.5254 4.9153 5.0949 5.2343 5.6506 5.7460 5.9728 6.4572 6.5927 7.1062 7.2854 7.8087 8.0063 9.1181 9.1323 11.0165 11.0862 11.4376 11.6300 12.7351 12.8946 12.9572 13.0074 13.2624 13.2630 13.3785 13.4287 k = 0.4078 0.4550 0.1781 ( 3074 PWs) bands (ev): -29.8295 -29.8294 -11.1395 -11.1387 -10.7870 -10.7854 -10.7270 -10.7269 -0.6506 -0.6231 2.4786 2.4905 3.3928 3.5103 4.9168 5.1056 5.2179 5.6603 5.7547 5.9881 6.4101 6.5669 7.0664 7.2444 7.8251 8.0240 9.1276 9.1448 11.1150 11.1234 11.3291 11.5848 12.7246 12.8743 13.0038 13.0325 13.1555 13.2013 13.3329 13.3754 k = 0.4012 0.4659 0.1908 ( 3070 PWs) bands (ev): -29.8294 -29.8293 -11.1398 -11.1389 -10.7873 -10.7857 -10.7277 -10.7276 -0.6171 -0.5878 2.4595 2.4740 3.3819 3.5004 4.9189 5.1131 5.2068 5.6702 5.7642 6.0028 6.3649 6.5409 7.0278 7.2066 7.8438 8.0423 9.1347 9.1544 11.0892 11.1180 11.3038 11.6006 12.7052 12.8562 13.0399 13.0609 13.0667 13.1318 13.2939 13.3379 k = 0.3946 0.4768 0.2036 ( 3070 PWs) bands (ev): -29.8293 -29.8293 -11.1401 -11.1392 -10.7877 -10.7860 -10.7285 -10.7284 -0.5813 -0.5503 2.4316 2.4492 3.3788 3.4971 4.9216 5.1153 5.2033 5.6800 5.7741 6.0165 6.3225 6.5148 6.9903 7.1723 7.8647 8.0614 9.1396 9.1616 11.0008 11.0090 11.3735 11.6564 12.6793 12.8442 12.9352 13.0573 13.1082 13.1107 13.2625 13.3169 k = 0.3880 0.4876 0.2163 ( 3070 PWs) bands (ev): -29.8292 -29.8292 -11.1404 -11.1395 -10.7881 -10.7863 -10.7293 -10.7291 -0.5434 -0.5107 2.3944 2.4155 3.3842 3.5012 4.9249 5.1115 5.2080 5.6899 5.7845 6.0286 6.2842 6.4890 6.9538 7.1412 7.8876 8.0813 9.1425 9.1667 10.8780 10.8863 11.4433 11.7191 12.6487 12.8121 12.8572 12.9844 13.1550 13.1668 13.2409 13.3118 k = 0.3814 0.4985 0.2290 ( 3070 PWs) bands (ev): -29.8291 -29.8291 -11.1407 -11.1398 -10.7885 -10.7867 -10.7301 -10.7299 -0.5033 -0.4689 2.3482 2.3730 3.3981 3.5131 4.9288 5.1035 5.2189 5.6995 5.7952 6.0379 6.2513 6.4635 6.9180 7.1135 7.9123 8.1019 9.1436 9.1698 10.7412 10.7601 11.4931 11.7696 12.6118 12.7075 12.8644 12.9201 13.2067 13.2134 13.2434 13.3227 k = 0.3748 0.5094 0.2417 ( 3070 PWs) bands (ev): -29.8290 -29.8290 -11.1410 -11.1402 -10.7889 -10.7871 -10.7308 -10.7306 -0.4611 -0.4250 2.2935 2.3219 3.4201 3.5326 4.9330 5.0936 5.2338 5.7087 5.8060 6.0427 6.2260 6.4387 6.8831 7.0890 7.9390 8.1234 9.1429 9.1712 10.6019 10.6287 11.5176 11.7978 12.5645 12.5982 12.8717 12.8870 13.2277 13.2640 13.2970 13.3493 k = 0.3683 0.5203 0.2544 ( 3074 PWs) bands (ev): -29.8289 -29.8289 -11.1414 -11.1405 -10.7893 -10.7875 -10.7315 -10.7313 -0.4168 -0.3792 2.2314 2.2630 3.4495 3.5593 4.9377 5.0832 5.2510 5.7174 5.8168 6.0409 6.2105 6.4147 6.8489 7.0676 7.9675 8.1458 9.1403 9.1709 10.4616 10.4954 11.5165 11.8004 12.4891 12.5033 12.8428 12.9126 13.2566 13.3290 13.3614 13.3896 k = 0.3617 0.5312 0.2672 ( 3078 PWs) bands (ev): -29.8289 -29.8288 -11.1417 -11.1409 -10.7898 -10.7880 -10.7322 -10.7319 -0.3706 -0.3314 2.1630 2.1974 3.4856 3.5925 4.9427 5.0731 5.2697 5.7252 5.8272 6.0318 6.2056 6.3920 6.8157 7.0493 7.9977 8.1692 9.1357 9.1688 10.3212 10.3622 11.4926 11.7787 12.3808 12.4292 12.8301 12.9325 13.3111 13.4026 13.4295 13.4406 k = 0.3551 0.5421 0.2799 ( 3078 PWs) bands (ev): -29.8288 -29.8288 -11.1420 -11.1412 -10.7902 -10.7885 -10.7328 -10.7325 -0.3225 -0.2819 2.0893 2.1260 3.5273 3.6314 4.9479 5.0635 5.2896 5.7319 5.8371 6.0172 6.2098 6.3709 6.7834 7.0337 8.0296 8.1936 9.1288 9.1646 10.1821 10.2308 11.4498 11.7367 12.2738 12.3463 12.8272 12.9437 13.3878 13.4787 13.5014 13.5030 k = 0.3485 0.5530 0.2926 ( 3076 PWs) bands (ev): -29.8287 -29.8287 -11.1423 -11.1416 -10.7907 -10.7889 -10.7333 -10.7331 -0.2726 -0.2306 2.0115 2.0499 3.5739 3.6750 4.9533 5.0547 5.3103 5.7372 5.8463 5.9999 6.2203 6.3516 6.7521 7.0210 8.0632 8.2190 9.1191 9.1579 10.0453 10.1028 11.3923 11.6792 12.1680 12.2583 12.8293 12.9483 13.4762 13.5439 13.5791 13.5819 k = 0.3419 0.5638 0.3053 ( 3072 PWs) bands (ev): -29.8286 -29.8286 -11.1426 -11.1419 -10.7911 -10.7894 -10.7338 -10.7336 -0.2211 -0.1778 1.9306 1.9703 3.6246 3.7226 4.9588 5.0469 5.3317 5.7407 5.8543 5.9826 6.2347 6.3347 6.7220 7.0108 8.0985 8.2456 9.1058 9.1477 9.9125 9.9799 11.3240 11.6101 12.0637 12.1675 12.8338 12.9494 13.5633 13.6029 13.6631 13.6651 k = 0.3353 0.5747 0.3181 ( 3072 PWs) bands (ev): -29.8285 -29.8285 -11.1429 -11.1422 -10.7915 -10.7899 -10.7343 -10.7341 -0.1681 -0.1237 1.8475 1.8879 3.6787 3.7733 4.9644 5.0400 5.3537 5.7420 5.8609 5.9667 6.2517 6.3205 6.6933 7.0030 8.1354 8.2733 9.0875 9.1324 9.7858 9.8641 11.2476 11.5327 11.9609 12.0753 12.8397 12.9489 13.6411 13.6574 13.7376 13.7575 k = 0.3287 0.5856 0.3308 ( 3070 PWs) bands (ev): -29.8285 -29.8284 -11.1432 -11.1426 -10.7919 -10.7904 -10.7347 -10.7345 -0.1139 -0.0685 1.7630 1.8037 3.7355 3.8261 4.9700 5.0342 5.3763 5.7409 5.8658 5.9532 6.2702 6.3095 6.6661 6.9976 8.1740 8.3021 9.0626 9.1093 9.6687 9.7579 11.1655 11.4494 11.8599 11.9828 12.8467 12.9482 13.7060 13.7093 13.8054 13.8478 k = 0.3221 0.5965 0.3435 ( 3072 PWs) bands (ev): -29.8284 -29.8284 -11.1434 -11.1429 -10.7923 -10.7909 -10.7351 -10.7349 -0.0587 -0.0125 1.6781 1.7187 3.7945 3.8804 4.9757 5.0297 5.3994 5.7372 5.8688 5.9427 6.2897 6.3018 6.6405 6.9943 8.2141 8.3320 9.0289 9.0742 9.5657 9.6640 11.0793 11.3619 11.7607 11.8904 12.8546 12.9480 13.7475 13.7687 13.8694 13.9289 k = 0.3156 0.6074 0.3562 ( 3076 PWs) bands (ev): -29.8283 -29.8283 -11.1436 -11.1432 -10.7926 -10.7914 -10.7354 -10.7352 -0.0030 0.0437 1.5936 1.6337 3.8550 3.9351 4.9813 5.0267 5.4230 5.7308 5.8697 5.9354 6.2979 6.3096 6.6168 6.9931 8.2558 8.3629 8.9844 9.0226 9.4819 9.5850 10.9904 11.2714 11.6634 11.7987 12.8636 12.9487 13.7822 13.8192 13.9307 13.9990 k = 0.3090 0.6183 0.3690 ( 3068 PWs) bands (ev): -29.8283 -29.8282 -11.1438 -11.1434 -10.7929 -10.7918 -10.7357 -10.7355 0.0526 0.0996 1.5107 1.5497 3.9164 3.9894 4.9870 5.0252 5.4474 5.7221 5.8687 5.9310 6.2978 6.3295 6.5952 6.9937 8.2990 8.3946 8.9283 8.9524 9.4202 9.5224 10.8998 11.1790 11.5681 11.7081 12.8735 12.9504 13.8107 13.8602 13.9881 14.0601 k = 0.3024 0.6291 0.3817 ( 3076 PWs) bands (ev): -29.8282 -29.8282 -11.1440 -11.1437 -10.7932 -10.7922 -10.7359 -10.7358 0.1075 0.1541 1.4306 1.4678 3.9780 4.0424 4.9928 5.0255 5.4724 5.7114 5.8659 5.9292 6.3014 6.3490 6.5760 6.9960 8.3437 8.4265 8.8616 8.8664 9.3783 9.4756 10.8083 11.0854 11.4750 11.6186 12.8845 12.9533 13.8334 13.8915 14.0398 14.1142 k = 0.2958 0.6400 0.3944 ( 3080 PWs) bands (ev): -29.8282 -29.8281 -11.1442 -11.1440 -10.7935 -10.7926 -10.7361 -10.7360 0.1606 0.2061 1.3548 1.3895 4.0393 4.0931 4.9988 5.0278 5.4984 5.6990 5.8618 5.9297 6.3086 6.3674 6.5597 6.9998 8.3898 8.4575 8.7717 8.7872 9.3509 9.4426 10.7166 10.9911 11.3842 11.5306 12.8966 12.9575 13.8508 13.9139 14.0858 14.1629 k = 0.2958 0.6400 0.3944 ( 3080 PWs) bands (ev): -29.8282 -29.8281 -11.1442 -11.1440 -10.7935 -10.7926 -10.7361 -10.7360 0.1606 0.2061 1.3548 1.3895 4.0393 4.0931 4.9988 5.0278 5.4984 5.6990 5.8618 5.9297 6.3086 6.3674 6.5597 6.9998 8.3898 8.4575 8.7717 8.7872 9.3509 9.4426 10.7166 10.9911 11.3842 11.5306 12.8966 12.9575 13.8508 13.9139 14.0858 14.1629 k = 0.2794 0.6358 0.3993 ( 3077 PWs) bands (ev): -29.8281 -29.8281 -11.1442 -11.1440 -10.7935 -10.7927 -10.7362 -10.7361 0.1796 0.2244 1.3277 1.3610 4.0633 4.1125 5.0014 5.0293 5.5091 5.6943 5.8597 5.9307 6.3122 6.3737 6.5557 7.0028 8.4087 8.4691 8.7267 8.7515 9.3479 9.4355 10.6834 10.9553 11.3495 11.4964 12.9015 12.9594 13.8430 13.9084 14.0891 14.1669 k = 0.2629 0.6316 0.4042 ( 3076 PWs) bands (ev): -29.8281 -29.8281 -11.1442 -11.1441 -10.7936 -10.7928 -10.7362 -10.7362 0.1968 0.2405 1.3024 1.3344 4.0881 4.1326 5.0045 5.0315 5.5212 5.6904 5.8572 5.9323 6.3162 6.3795 6.5545 7.0080 8.4291 8.4796 8.6685 8.7045 9.3553 9.4355 10.6544 10.9211 11.3148 11.4613 12.9067 12.9614 13.8139 13.8826 14.0667 14.1440 k = 0.2465 0.6274 0.4091 ( 3082 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1442 -10.7936 -10.7929 -10.7363 -10.7362 0.2122 0.2546 1.2791 1.3097 4.1132 4.1531 5.0080 5.0342 5.5347 5.6877 5.8543 5.9342 6.3206 6.3852 6.5556 7.0154 8.4504 8.4816 8.6069 8.6474 9.3712 9.4421 10.6292 10.8884 11.2804 11.4256 12.9124 12.9639 13.7726 13.8444 14.0247 14.1001 k = 0.2301 0.6232 0.4140 ( 3072 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1442 -10.7936 -10.7930 -10.7363 -10.7363 0.2258 0.2668 1.2577 1.2867 4.1385 4.1735 5.0120 5.0372 5.5499 5.6864 5.8511 5.9362 6.3255 6.3918 6.5585 7.0249 8.4491 8.4716 8.5707 8.5827 9.3934 9.4544 10.6075 10.8573 11.2467 11.3896 12.9190 12.9671 13.7256 13.8000 13.9703 14.0427 k = 0.2136 0.6190 0.4190 ( 3077 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1443 -10.7937 -10.7931 -10.7364 -10.7363 0.2379 0.2771 1.2381 1.2655 4.1634 4.1938 5.0162 5.0404 5.5667 5.6865 5.8478 5.9383 6.3308 6.4001 6.5626 7.0365 8.3727 8.4798 8.5245 8.5716 9.4200 9.4712 10.5886 10.8276 11.2139 11.3535 12.9266 12.9711 13.6761 13.7529 13.9098 13.9780 k = 0.1972 0.6148 0.4239 ( 3082 PWs) bands (ev): -29.8281 -29.8281 -11.1443 -11.1443 -10.7937 -10.7932 -10.7364 -10.7364 0.2485 0.2856 1.2204 1.2461 4.1876 4.2135 5.0205 5.0436 5.5853 5.6882 5.8445 5.9402 6.3368 6.4107 6.5674 7.0503 8.2781 8.4199 8.5296 8.5857 9.4494 9.4914 10.5723 10.7990 11.1824 11.3178 12.9352 12.9760 13.6260 13.7049 13.8477 13.9103 k = 0.1808 0.6106 0.4288 ( 3082 PWs) bands (ev): -29.8281 -29.8280 -11.1444 -11.1443 -10.7937 -10.7932 -10.7365 -10.7364 0.2578 0.2926 1.2045 1.2284 4.2107 4.2323 5.0250 5.0468 5.6055 5.6914 5.8413 5.9418 6.3435 6.4242 6.5726 7.0660 8.1760 8.3389 8.5521 8.6037 9.4806 9.5140 10.5582 10.7716 11.1525 11.2825 12.9451 12.9818 13.5760 13.6572 13.7870 13.8428 k = 0.1643 0.6064 0.4337 ( 3088 PWs) bands (ev): -29.8281 -29.8280 -11.1444 -11.1444 -10.7937 -10.7933 -10.7365 -10.7365 0.2658 0.2981 1.1904 1.2123 4.2325 4.2502 5.0294 5.0497 5.6270 5.6959 5.8385 5.9429 6.3511 6.4408 6.5785 7.0839 8.0702 8.2538 8.5760 8.6230 9.5123 9.5381 10.5461 10.7450 11.1246 11.2481 12.9561 12.9885 13.5266 13.6100 13.7300 13.7780 k = 0.1479 0.6022 0.4386 ( 3083 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7933 -10.7365 -10.7365 0.2727 0.3023 1.1779 1.1978 4.2527 4.2668 5.0337 5.0523 5.6492 5.7014 5.8362 5.9434 6.3597 6.4603 6.5858 7.1040 7.9626 8.1671 8.5999 8.6425 9.5440 9.5629 10.5358 10.7192 11.0988 11.2147 12.9684 12.9961 13.4782 13.5632 13.6783 13.7178 k = 0.1315 0.5980 0.4435 ( 3080 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7933 -10.7365 -10.7365 0.2787 0.3054 1.1671 1.1849 4.2710 4.2820 5.0377 5.0546 5.6716 5.7077 5.8349 5.9432 6.3694 6.4810 6.5963 7.1263 7.8546 8.0800 8.6231 8.6613 9.5746 9.5877 10.5273 10.6941 11.0757 11.1828 12.9818 13.0046 13.4310 13.5165 13.6328 13.6640 k = 0.1150 0.5938 0.4484 ( 3084 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7934 -10.7365 -10.7365 0.2839 0.3075 1.1578 1.1735 4.2873 4.2956 5.0415 5.0564 5.6932 5.7143 5.8348 5.9420 6.3802 6.4996 6.6136 7.1506 7.7476 7.9936 8.6452 8.6790 9.6036 9.6117 10.5206 10.6698 11.0554 11.1526 12.9963 13.0137 13.3857 13.4699 13.5936 13.6175 k = 0.0986 0.5896 0.4533 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7934 -10.7366 -10.7365 0.2883 0.3088 1.1501 1.1636 4.3015 4.3076 5.0449 5.0578 5.7128 5.7211 5.8366 5.9398 6.3923 6.5121 6.6419 7.1767 7.6432 7.9090 8.6657 8.6951 9.6303 9.6345 10.5159 10.6465 11.0383 11.1243 13.0117 13.0235 13.3432 13.4238 13.5608 13.5787 k = 0.0822 0.5854 0.4583 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7935 -10.7366 -10.7365 0.2921 0.3093 1.1438 1.1551 4.3136 4.3179 5.0480 5.0588 5.7277 5.7291 5.8411 5.9363 6.4054 6.5172 6.6826 7.2030 7.5439 7.8269 8.6843 8.7092 9.6539 9.6552 10.5132 10.6242 11.0247 11.0984 13.0280 13.0339 13.3044 13.3791 13.5340 13.5472 k = 0.0657 0.5812 0.4632 ( 3083 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7937 -10.7935 -10.7366 -10.7366 0.2954 0.3093 1.1389 1.1480 4.3234 4.3263 5.0507 5.0594 5.7340 5.7411 5.8488 5.9314 6.4196 6.5163 6.7341 7.2241 7.4562 7.7481 8.7006 8.7207 9.6735 9.6740 10.5129 10.6031 11.0147 11.0751 13.0446 13.0448 13.2703 13.3369 13.5129 13.5223 k = 0.0493 0.5770 0.4681 ( 3083 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7936 -10.7935 -10.7366 -10.7366 0.2983 0.3088 1.1354 1.1422 4.3310 4.3329 5.0531 5.0596 5.7396 5.7485 5.8593 5.9250 6.4343 6.5109 6.7946 7.2211 7.3999 7.6734 8.7142 8.7295 9.6886 9.6900 10.5150 10.5837 11.0086 11.0548 13.0561 13.0607 13.2423 13.2984 13.4970 13.5035 k = 0.0329 0.5728 0.4730 ( 3083 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7936 -10.7935 -10.7366 -10.7366 0.3009 0.3079 1.1333 1.1378 4.3365 4.3376 5.0550 5.0594 5.7445 5.7521 5.8715 5.9171 6.4494 6.5023 6.8625 7.1716 7.3985 7.6035 8.7249 8.7352 9.7000 9.7014 10.5199 10.5662 11.0065 11.0377 13.0672 13.0745 13.2224 13.2646 13.4861 13.4902 k = 0.0164 0.5686 0.4779 ( 3081 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7936 -10.7936 -10.7366 -10.7366 0.3031 0.3066 1.1325 1.1347 4.3399 4.3403 5.0566 5.0588 5.7485 5.7527 5.8842 5.9075 6.4642 6.4913 6.9366 7.0960 7.4325 7.5392 8.7325 8.7377 9.7073 9.7082 10.5275 10.5508 11.0084 11.0241 13.0771 13.0829 13.2139 13.2373 13.4800 13.4819 k = 0.0000 0.5644 0.4828 ( 3080 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7936 -10.7936 -10.7366 -10.7366 0.3050 0.3050 1.1329 1.1329 4.3411 4.3411 5.0579 5.0579 5.7514 5.7514 5.8964 5.8964 6.4784 6.4784 7.0153 7.0153 7.4815 7.4815 8.7368 8.7368 9.7101 9.7101 10.5378 10.5378 11.0143 11.0143 13.0834 13.0834 13.2192 13.2192 13.4786 13.4786 k = 0.0000 0.5644 0.4828 ( 3080 PWs) bands (ev): -29.8280 -29.8280 -11.1444 -11.1444 -10.7936 -10.7936 -10.7366 -10.7366 0.3050 0.3050 1.1329 1.1329 4.3411 4.3411 5.0579 5.0579 5.7514 5.7514 5.8964 5.8964 6.4784 6.4784 7.0153 7.0153 7.4815 7.4815 8.7368 8.7368 9.7101 9.7101 10.5378 10.5378 11.0143 11.0143 13.0834 13.0834 13.2192 13.2192 13.4786 13.4786 k = 0.0066 0.5535 0.4955 ( 3084 PWs) bands (ev): -29.8280 -29.8280 -11.1445 -11.1443 -10.7936 -10.7935 -10.7367 -10.7366 0.3059 0.3064 1.1329 1.1355 4.3349 4.3448 5.0526 5.0636 5.7475 5.7536 5.8817 5.9088 6.4626 6.4913 7.0016 7.0291 7.4778 7.4862 8.7127 8.7365 9.7203 9.7308 10.4924 10.5619 10.9878 11.0497 13.0778 13.0889 13.1965 13.2532 13.4488 13.5172 k = 0.0132 0.5426 0.5082 ( 3082 PWs) bands (ev): -29.8280 -29.8280 -11.1446 -11.1443 -10.7936 -10.7934 -10.7369 -10.7367 0.3093 0.3103 1.1353 1.1406 4.3262 4.3459 5.0476 5.0696 5.7420 5.7540 5.8645 5.9189 6.4441 6.5016 6.9880 7.0427 7.4753 7.4920 8.6680 8.7130 9.7594 9.7783 10.4341 10.5582 10.9764 11.0873 13.0673 13.0969 13.1920 13.2919 13.4318 13.5621 k = 0.0197 0.5318 0.5209 ( 3082 PWs) bands (ev): -29.8280 -29.8280 -11.1447 -11.1442 -10.7936 -10.7933 -10.7373 -10.7369 0.3151 0.3166 1.1403 1.1482 4.3150 4.3443 5.0427 5.0760 5.7350 5.7525 5.8447 5.9270 6.4232 6.5094 6.9749 7.0560 7.4740 7.4987 8.6089 8.6715 9.8184 9.8453 10.3714 10.5270 10.9805 11.1228 13.0514 13.1072 13.2073 13.3291 13.4341 13.6117 k = 0.0263 0.5209 0.5337 ( 3084 PWs) bands (ev): -29.8279 -29.8279 -11.1449 -11.1442 -10.7936 -10.7932 -10.7378 -10.7372 0.3234 0.3253 1.1478 1.1583 4.3011 4.3398 5.0380 5.0826 5.7263 5.7490 5.8221 5.9333 6.4005 6.5153 6.9622 7.0688 7.4737 7.5059 8.5415 8.6182 9.8803 9.9251 10.3166 10.4752 10.9953 11.1537 13.0344 13.1177 13.2387 13.3619 13.4602 13.6649 k = 0.0329 0.5100 0.5464 ( 3080 PWs) bands (ev): -29.8279 -29.8279 -11.1451 -11.1442 -10.7935 -10.7930 -10.7383 -10.7376 0.3340 0.3364 1.1578 1.1709 4.2845 4.3322 5.0330 5.0894 5.7159 5.7434 5.7967 5.9384 6.3767 6.5198 6.9501 7.0811 7.4745 7.5135 8.4704 8.5585 9.9168 10.0116 10.2903 10.4125 11.0160 11.1796 13.0198 13.1260 13.2831 13.3970 13.5047 13.7206 k = 0.0395 0.4992 0.5591 ( 3080 PWs) bands (ev): -29.8279 -29.8279 -11.1452 -11.1442 -10.7934 -10.7929 -10.7390 -10.7382 0.3471 0.3499 1.1702 1.1859 4.2650 4.3213 5.0276 5.0961 5.7038 5.7346 5.7693 5.9427 6.3528 6.5236 6.9384 7.0930 7.4763 7.5211 8.3987 8.4963 9.9027 10.0926 10.3060 10.3572 11.0413 11.2018 13.0093 13.1318 13.3385 13.4420 13.5588 13.7781 k = 0.0461 0.4883 0.5718 ( 3078 PWs) bands (ev): -29.8278 -29.8278 -11.1454 -11.1443 -10.7933 -10.7926 -10.7397 -10.7388 0.3626 0.3659 1.1851 1.2034 4.2424 4.3066 5.0214 5.1026 5.6903 5.7174 5.7454 5.9466 6.3294 6.5272 6.9271 7.1044 7.4789 7.5283 8.3287 8.4340 9.8453 10.1351 10.3010 10.3887 11.0741 11.2236 13.0037 13.1364 13.4039 13.4981 13.6181 13.8368 k = 0.0526 0.4774 0.5845 ( 3078 PWs) bands (ev): -29.8278 -29.8278 -11.1456 -11.1443 -10.7932 -10.7924 -10.7405 -10.7396 0.3804 0.3842 1.2023 1.2232 4.2164 4.2878 5.0138 5.1086 5.6760 5.6853 5.7316 5.9507 6.3075 6.5313 6.9162 7.1153 7.4822 7.5346 8.2618 8.3732 9.7659 10.0993 10.3276 10.4609 11.1197 11.2507 13.0029 13.1416 13.4779 13.5631 13.6812 13.8962 k = 0.0592 0.4665 0.5972 ( 3078 PWs) bands (ev): -29.8277 -29.8277 -11.1459 -11.1444 -10.7930 -10.7922 -10.7415 -10.7404 0.4007 0.4050 1.2219 1.2453 4.1870 4.2646 5.0041 5.1139 5.6445 5.6620 5.7220 5.9553 6.2875 6.5361 6.9054 7.1258 7.4861 7.5395 8.1991 8.3150 9.6768 10.0248 10.3667 10.5267 11.1846 11.2908 13.0068 13.1487 13.5589 13.6335 13.7482 13.9558 k = 0.0658 0.4557 0.6099 ( 3068 PWs) bands (ev): -29.8277 -29.8277 -11.1461 -11.1445 -10.7928 -10.7919 -10.7424 -10.7412 0.4234 0.4282 1.2438 1.2697 4.1538 4.2366 4.9917 5.1180 5.5992 5.6492 5.7136 5.9608 6.2698 6.5420 6.8948 7.1359 7.4904 7.5423 8.1413 8.2599 9.5839 9.9403 10.3881 10.5720 11.2722 11.3517 13.0153 13.1584 13.6455 13.7055 13.8197 14.0151 k = 0.0724 0.4448 0.6226 ( 3062 PWs) bands (ev): -29.8276 -29.8276 -11.1463 -11.1446 -10.7926 -10.7916 -10.7434 -10.7422 0.4484 0.4537 1.2680 1.2963 4.1166 4.2036 4.9758 5.1207 5.5510 5.6388 5.7059 5.9673 6.2545 6.5492 6.8842 7.1455 7.4950 7.5423 8.0893 8.2085 9.4897 9.8528 10.3862 10.5902 11.3816 11.4375 13.0279 13.1712 13.7355 13.7756 13.8963 14.0732 k = 0.0789 0.4339 0.6353 ( 3064 PWs) bands (ev): -29.8275 -29.8275 -11.1466 -11.1448 -10.7924 -10.7914 -10.7445 -10.7433 0.4758 0.4816 1.2943 1.3250 4.0752 4.1651 4.9557 5.1211 5.5017 5.6319 5.6989 5.9749 6.2417 6.5577 6.8738 7.1546 7.4997 7.5388 8.0436 8.1609 9.3961 9.7646 10.3634 10.5820 11.5085 11.5461 13.0445 13.1872 13.8264 13.8418 13.9763 14.1284 k = 0.0855 0.4231 0.6480 ( 3066 PWs) bands (ev): -29.8275 -29.8275 -11.1468 -11.1450 -10.7923 -10.7911 -10.7457 -10.7444 0.5056 0.5119 1.3228 1.3558 4.0294 4.1211 4.9312 5.1183 5.4536 5.6288 5.6929 5.9838 6.2313 6.5675 6.8635 7.1632 7.5041 7.5312 8.0047 8.1174 9.3041 9.6771 10.3239 10.5521 11.6478 11.6722 13.0650 13.2066 13.9010 13.9184 14.0532 14.1758 k = 0.0921 0.4122 0.6607 ( 3072 PWs) bands (ev): -29.8274 -29.8274 -11.1471 -11.1452 -10.7921 -10.7908 -10.7469 -10.7455 0.5378 0.5445 1.3533 1.3886 3.9792 4.0715 4.9022 5.1103 5.4096 5.6292 5.6886 5.9939 6.2232 6.5784 6.8534 7.1712 7.5058 7.5210 7.9729 8.0782 9.2146 9.5908 10.2716 10.5056 11.7948 11.8095 13.0896 13.2293 13.9572 14.0034 14.1090 14.2056 k = 0.0987 0.4013 0.6734 ( 3078 PWs) bands (ev): -29.8273 -29.8273 -11.1474 -11.1454 -10.7919 -10.7906 -10.7481 -10.7467 0.5723 0.5795 1.3857 1.4233 3.9245 4.0163 4.8690 5.0947 5.3730 5.6318 5.6873 6.0054 6.2172 6.5905 6.8437 7.1786 7.4942 7.5180 7.9482 8.0435 9.1282 9.5063 10.2095 10.4467 11.9447 11.9529 13.1188 13.2556 14.0065 14.0691 14.1282 14.2097 k = 0.1053 0.3905 0.6861 ( 3074 PWs) bands (ev): -29.8272 -29.8272 -11.1477 -11.1456 -10.7917 -10.7903 -10.7493 -10.7479 0.6091 0.6169 1.4199 1.4597 3.8652 3.9557 4.8322 5.0691 5.3468 5.6345 5.6907 6.0180 6.2133 6.6035 6.8345 7.1853 7.4713 7.5205 7.9299 8.0139 9.0454 9.4239 10.1399 10.3786 12.0910 12.0997 13.1540 13.2862 14.0398 14.0658 14.1735 14.1985 k = 0.1118 0.3796 0.6988 ( 3074 PWs) bands (ev): -29.8271 -29.8271 -11.1480 -11.1459 -10.7915 -10.7900 -10.7505 -10.7492 0.6482 0.6565 1.4558 1.4977 3.8016 3.8899 4.7923 5.0333 5.3318 5.6353 5.7005 6.0317 6.2115 6.6172 6.8261 7.1913 7.4427 7.5229 7.9167 7.9898 8.9667 9.3440 10.0645 10.3033 12.2285 12.2449 13.1977 13.3225 14.0163 14.0641 14.1866 14.2467 k = 0.1184 0.3687 0.7115 ( 3068 PWs) bands (ev): -29.8271 -29.8271 -11.1483 -11.1461 -10.7912 -10.7897 -10.7517 -10.7504 0.6897 0.6985 1.4933 1.5373 3.7338 3.8193 4.7500 4.9889 5.3266 5.6339 5.7163 6.0463 6.2118 6.6312 6.8188 7.1966 7.4100 7.5241 7.9071 7.9723 8.8924 9.2668 9.9845 10.2226 12.3530 12.3810 13.2535 13.3669 13.9783 14.0500 14.2115 14.3061 k = 0.1250 0.3578 0.7242 ( 3070 PWs) bands (ev): -29.8270 -29.8270 -11.1486 -11.1464 -10.7911 -10.7895 -10.7529 -10.7516 0.7334 0.7427 1.5323 1.5782 3.6620 3.7443 4.7059 4.9388 5.3286 5.6311 5.7366 6.0613 6.2145 6.6451 6.8132 7.2011 7.3744 7.5234 7.8997 7.9618 8.8227 9.1924 9.9010 10.1376 12.4580 12.5008 13.3263 13.4232 13.9469 14.0297 14.2486 14.3603 k = 0.1316 0.3470 0.7369 ( 3074 PWs) bands (ev): -29.8269 -29.8269 -11.1489 -11.1467 -10.7909 -10.7893 -10.7541 -10.7529 0.7794 0.7892 1.5725 1.6202 3.5866 3.6655 4.6606 4.8851 5.3357 5.6278 5.7600 6.0763 6.2199 6.6584 6.8097 7.2045 7.3370 7.5206 7.8942 7.9581 8.7580 9.1210 9.8148 10.0494 12.5380 12.5974 13.4197 13.4957 13.9265 14.0147 14.2887 14.4092 k = 0.1382 0.3361 0.7497 ( 3074 PWs) bands (ev): -29.8268 -29.8268 -11.1491 -11.1470 -10.7907 -10.7891 -10.7553 -10.7541 0.8276 0.8379 1.6138 1.6633 3.5081 3.5833 4.6145 4.8293 5.3461 5.6243 5.7854 6.0905 6.2283 6.6702 6.8091 7.2066 7.2992 7.5151 7.8914 7.9598 8.6984 9.0528 9.7266 9.9586 12.5913 12.6659 13.5345 13.5870 13.9196 14.0094 14.3287 14.4538 k = 0.1447 0.3252 0.7624 ( 3070 PWs) bands (ev): -29.8267 -29.8267 -11.1494 -11.1473 -10.7905 -10.7889 -10.7563 -10.7552 0.8780 0.8889 1.6560 1.7070 3.4267 3.4983 4.5680 4.7726 5.3590 5.6210 5.8121 6.1032 6.2404 6.6800 6.8122 7.2054 7.2635 7.5069 7.8922 7.9655 8.6438 8.9878 9.6371 9.8660 12.6201 12.7055 13.6671 13.6944 13.9296 14.0151 14.3677 14.4945 k = 0.1513 0.3144 0.7751 ( 3074 PWs) bands (ev): -29.8267 -29.8267 -11.1497 -11.1476 -10.7904 -10.7887 -10.7574 -10.7564 0.9306 0.9420 1.6988 1.7513 3.3429 3.4111 4.5215 4.7154 5.3736 5.6178 5.8394 6.1139 6.2562 6.6873 6.8192 7.1939 7.2377 7.4960 7.8971 7.9742 8.5945 8.9261 9.5466 9.7721 12.6294 12.7199 13.8041 13.8113 13.9651 14.0329 14.4056 14.5320 k = 0.1579 0.3035 0.7878 ( 3066 PWs) bands (ev): -29.8266 -29.8266 -11.1499 -11.1479 -10.7902 -10.7885 -10.7583 -10.7574 0.9853 0.9972 1.7420 1.7958 3.2573 3.3220 4.4753 4.6583 5.3894 5.6149 5.8666 6.1225 6.2757 6.6922 6.8301 7.1657 7.2290 7.4827 7.9064 7.9852 8.5502 8.8678 9.4558 9.6774 12.6244 12.7152 13.8881 13.9546 14.0463 14.0693 14.4431 14.5673 k = 0.1645 0.2926 0.8005 ( 3068 PWs) bands (ev): -29.8265 -29.8265 -11.1502 -11.1482 -10.7901 -10.7884 -10.7593 -10.7584 1.0421 1.0545 1.7853 1.8403 3.1701 3.2316 4.4297 4.6017 5.4059 5.6123 5.8934 6.1290 6.2982 6.6955 6.8440 7.1314 7.2274 7.4672 7.9200 7.9980 8.5109 8.8129 9.3651 9.5824 12.6094 12.6970 13.9430 14.0543 14.1530 14.1742 14.4822 14.6016 k = 0.1711 0.2817 0.8132 ( 3068 PWs) bands (ev): -29.8264 -29.8264 -11.1504 -11.1486 -10.7900 -10.7884 -10.7601 -10.7594 1.1010 1.1138 1.8284 1.8842 3.0818 3.1404 4.3850 4.5459 5.4228 5.6100 5.9193 6.1338 6.3229 6.6978 6.8598 7.0975 7.2275 7.4499 7.9378 8.0124 8.4765 8.7614 9.2749 9.4875 12.5881 12.6702 13.9909 14.1066 14.2861 14.3084 14.5288 14.6378 k = 0.1776 0.2709 0.8259 ( 3062 PWs) bands (ev): -29.8264 -29.8264 -11.1506 -11.1488 -10.7899 -10.7883 -10.7609 -10.7603 1.1618 1.1751 1.8708 1.9274 2.9929 3.0487 4.3417 4.4912 5.4400 5.6078 5.9439 6.1370 6.3489 6.6997 6.8766 7.0661 7.2280 7.4312 7.9595 8.0284 8.4468 8.7135 9.1856 9.3930 12.5631 12.6383 14.0400 14.1545 14.3978 14.4358 14.5972 14.6825 k = 0.1842 0.2600 0.8386 ( 3060 PWs) bands (ev): -29.8263 -29.8263 -11.1508 -11.1491 -10.7898 -10.7883 -10.7616 -10.7611 1.2245 1.2382 1.9122 1.9692 2.9037 2.9571 4.3002 4.4380 5.4570 5.6059 5.9670 6.1390 6.3753 6.7012 6.8932 7.0390 7.2286 7.4113 7.9851 8.0460 8.4216 8.6690 9.0977 9.2994 12.5363 12.6040 14.0919 14.2049 14.4658 14.5358 14.6972 14.7484 k = 0.1908 0.2491 0.8513 ( 3058 PWs) bands (ev): -29.8262 -29.8262 -11.1509 -11.1494 -10.7898 -10.7883 -10.7623 -10.7618 1.2889 1.3030 1.9521 2.0092 2.8148 2.8658 4.2608 4.3868 5.4738 5.6041 5.9884 6.1399 6.4014 6.7022 6.9084 7.0182 7.2291 7.3905 8.0145 8.0654 8.4007 8.6281 9.0117 9.2071 12.5094 12.5693 14.1465 14.2581 14.5049 14.5962 14.8095 14.8382 k = 0.1974 0.2383 0.8640 ( 3060 PWs) bands (ev): -29.8262 -29.8262 -11.1511 -11.1497 -10.7897 -10.7884 -10.7628 -10.7624 1.3550 1.3694 1.9899 2.0468 2.7265 2.7755 4.2243 4.3379 5.4900 5.6024 6.0080 6.1397 6.4267 6.7016 6.9209 7.0057 7.2294 7.3690 8.0474 8.0867 8.3838 8.5906 8.9279 9.1162 12.4834 12.5356 14.2033 14.3138 14.5310 14.6306 14.9114 14.9285 k = 0.2039 0.2274 0.8767 ( 3054 PWs) bands (ev): -29.8261 -29.8261 -11.1512 -11.1500 -10.7897 -10.7884 -10.7633 -10.7630 1.4225 1.4371 2.0249 2.0814 2.6394 2.6866 4.1910 4.2919 5.5054 5.6007 6.0257 6.1386 6.4507 6.6984 6.9307 7.0024 7.2297 7.3471 8.0838 8.1105 8.3706 8.5566 8.8469 9.0273 12.4592 12.5038 14.2616 14.3711 14.5506 14.6529 14.9884 14.9954 k = 0.2105 0.2165 0.8894 ( 3050 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1502 -10.7896 -10.7885 -10.7637 -10.7634 1.4910 1.5057 2.0565 2.1120 2.5544 2.5999 4.1615 4.2493 5.5199 5.5989 6.0416 6.1365 6.4734 6.6915 6.9400 7.0063 7.2298 7.3250 8.1227 8.1380 8.3610 8.5262 8.7691 8.9406 12.4375 12.4748 14.3205 14.4289 14.5662 14.6688 15.0263 15.0335 k = 0.2171 0.2057 0.9021 ( 3054 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1505 -10.7896 -10.7886 -10.7641 -10.7639 1.5602 1.5746 2.0836 2.1376 2.4726 2.5165 4.1365 4.2107 5.5332 5.5970 6.0557 6.1335 6.4948 6.6806 6.9515 7.0137 7.2299 7.3031 8.1594 8.1738 8.3545 8.4994 8.6951 8.8565 12.4188 12.4492 14.3787 14.4855 14.5798 14.6807 15.0282 15.0461 k = 0.2237 0.1948 0.9148 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1507 -10.7895 -10.7887 -10.7644 -10.7642 1.6291 1.6428 2.1050 2.1560 2.3965 2.4381 4.1166 4.1767 5.5453 5.5947 6.0683 6.1297 6.5153 6.6664 6.9662 7.0215 7.2298 7.2820 8.1929 8.2189 8.3509 8.4763 8.6258 8.7755 12.4034 12.4272 14.4349 14.5367 14.5949 14.6899 15.0119 15.0363 k = 0.2303 0.1839 0.9275 ( 3062 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1509 -10.7894 -10.7888 -10.7646 -10.7645 1.6960 1.7084 2.1187 2.1633 2.3317 2.3681 4.1022 4.1477 5.5559 5.5920 6.0794 6.1250 6.5352 6.6498 6.9829 7.0278 7.2298 7.2627 8.2280 8.2675 8.3499 8.4569 8.5624 8.6980 12.3918 12.4093 14.4869 14.5701 14.6220 14.6969 14.9872 15.0132 k = 0.2368 0.1730 0.9402 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1511 -10.7894 -10.7890 -10.7648 -10.7647 1.7576 1.7675 2.1221 2.1525 2.2881 2.3123 4.0938 4.1244 5.5651 5.5886 6.0893 6.1194 6.5548 6.6317 6.9998 7.0312 7.2297 7.2464 8.2654 8.3142 8.3526 8.4403 8.5093 8.6251 12.3841 12.3956 14.5312 14.5825 14.6611 14.7022 14.9619 14.9845 k = 0.2434 0.1622 0.9529 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1512 -10.7893 -10.7891 -10.7649 -10.7648 1.8062 1.8120 2.1157 2.1271 2.2697 2.2780 4.0917 4.1071 5.5729 5.5845 6.0981 6.1131 6.5742 6.6128 7.0145 7.0306 7.2297 7.2352 8.3030 8.3380 8.3705 8.4191 8.4837 8.5588 12.3805 12.3863 14.5635 14.5856 14.6936 14.7058 14.9440 14.9576 k = 0.2500 0.1513 0.9657 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8278 1.8278 2.1117 2.1117 2.2664 2.2664 4.0961 4.0961 5.5793 5.5793 6.1061 6.1061 6.5936 6.5936 7.0251 7.0251 7.2305 7.2305 8.3317 8.3317 8.3936 8.3936 8.5056 8.5056 12.3812 12.3812 14.5808 14.5808 14.7068 14.7068 14.9418 14.9418 k = 0.2500 0.1513 0.9657 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8278 1.8278 2.1117 2.1117 2.2664 2.2664 4.0961 4.0961 5.5793 5.5793 6.1061 6.1061 6.5936 6.5936 7.0251 7.0251 7.2305 7.2305 8.3317 8.3317 8.3936 8.3936 8.5056 8.5056 12.3812 12.3812 14.5808 14.5808 14.7068 14.7068 14.9418 14.9418 k = 0.2632 0.1593 0.9563 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7891 -10.7649 -10.7648 1.8210 1.8240 2.1124 2.1166 2.2671 2.2695 4.0939 4.1021 5.5750 5.5818 6.1020 6.1085 6.5840 6.6026 7.0209 7.0300 7.2285 7.2335 8.3013 8.3330 8.4020 8.4029 8.4950 8.5296 12.3832 12.3862 14.5723 14.5797 14.7071 14.7113 14.9392 14.9463 k = 0.2763 0.1672 0.9470 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1512 -10.7893 -10.7891 -10.7648 -10.7648 1.8051 1.8110 2.1179 2.1266 2.2710 2.2754 4.0950 4.1121 5.5683 5.5834 6.0975 6.1081 6.5755 6.6095 7.0163 7.0359 7.2249 7.2408 8.2543 8.3141 8.4094 8.4290 8.5065 8.5573 12.3919 12.3980 14.5589 14.5691 14.7086 14.7192 14.9392 14.9520 k = 0.2895 0.1752 0.9377 ( 3065 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1511 -10.7893 -10.7890 -10.7648 -10.7648 1.7824 1.7911 2.1267 2.1398 2.2772 2.2834 4.0998 4.1261 5.5593 5.5842 6.0929 6.1047 6.5684 6.6139 7.0112 7.0420 7.2201 7.2525 8.2044 8.2803 8.4202 8.4588 8.5306 8.5882 12.4070 12.4162 14.5428 14.5536 14.7098 14.7263 14.9413 14.9582 k = 0.3026 0.1832 0.9284 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1510 -10.7894 -10.7889 -10.7647 -10.7647 1.7553 1.7666 2.1371 2.1545 2.2850 2.2926 4.1082 4.1441 5.5482 5.5841 6.0883 6.0984 6.5626 6.6155 7.0052 7.0472 7.2152 7.2685 8.1547 8.2402 8.4333 8.4903 8.5606 8.6218 12.4280 12.4404 14.5252 14.5357 14.7103 14.7312 14.9445 14.9639 k = 0.3158 0.1911 0.9191 ( 3063 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1510 -10.7894 -10.7889 -10.7647 -10.7646 1.7254 1.7391 2.1481 2.1695 2.2940 2.3026 4.1201 4.1661 5.5352 5.5833 6.0837 6.0893 6.5579 6.6141 6.9981 7.0501 7.2117 7.2886 8.1061 8.1986 8.4475 8.5228 8.5934 8.6578 12.4544 12.4699 14.5067 14.5166 14.7100 14.7335 14.9477 14.9681 k = 0.3289 0.1991 0.9098 ( 3059 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1509 -10.7895 -10.7888 -10.7646 -10.7645 1.6936 1.7097 2.1590 2.1842 2.3036 2.3128 4.1354 4.1918 5.5207 5.5818 6.0779 6.0793 6.5540 6.6098 6.9897 7.0490 7.2116 7.3125 8.0595 8.1578 8.4621 8.5560 8.6279 8.6959 12.4855 12.5041 14.4876 14.4967 14.7089 14.7339 14.9494 14.9702 k = 0.3421 0.2071 0.9005 ( 3063 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1508 -10.7895 -10.7888 -10.7645 -10.7644 1.6607 1.6792 2.1697 2.1984 2.3135 2.3230 4.1539 4.2210 5.5049 5.5796 6.0646 6.0753 6.5504 6.6025 6.9797 7.0424 7.2164 7.3395 8.0153 8.1194 8.4770 8.5898 8.6634 8.7358 12.5204 12.5423 14.4681 14.4763 14.7073 14.7329 14.9490 14.9697 k = 0.3553 0.2150 0.8912 ( 3059 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1507 -10.7895 -10.7887 -10.7643 -10.7642 1.6270 1.6480 2.1800 2.2119 2.3232 2.3328 4.1753 4.2533 5.4881 5.5769 6.0498 6.0717 6.5468 6.5926 6.9681 7.0302 7.2268 7.3690 7.9738 8.0842 8.4922 8.6241 8.6997 8.7773 12.5585 12.5836 14.4482 14.4556 14.7048 14.7305 14.9462 14.9666 k = 0.3684 0.2230 0.8819 ( 3057 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1506 -10.7896 -10.7887 -10.7642 -10.7640 1.5929 1.6162 2.1901 2.2248 2.3327 2.3422 4.1993 4.2883 5.4706 5.5738 6.0339 6.0686 6.5425 6.5801 6.9549 7.0132 7.2422 7.4001 7.9354 8.0534 8.5077 8.6586 8.7364 8.8201 12.5986 12.6270 14.4277 14.4344 14.7012 14.7266 14.9416 14.9616 k = 0.3816 0.2309 0.8726 ( 3057 PWs) bands (ev): -29.8261 -29.8261 -11.1514 -11.1505 -10.7896 -10.7886 -10.7640 -10.7639 1.5583 1.5839 2.1999 2.2373 2.3417 2.3513 4.2254 4.3256 5.4527 5.5704 6.0175 6.0660 6.5372 6.5654 6.9401 6.9929 7.2615 7.4318 7.9003 8.0277 8.5236 8.6934 8.7734 8.8640 12.6397 12.6714 14.4067 14.4129 14.6958 14.7207 14.9365 14.9558 k = 0.3947 0.2389 0.8633 ( 3053 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1504 -10.7897 -10.7885 -10.7638 -10.7636 1.5234 1.5513 2.2096 2.2495 2.3505 2.3599 4.2532 4.3646 5.4348 5.5669 6.0010 6.0640 6.5304 6.5486 6.9240 6.9707 7.2837 7.4630 7.8686 8.0080 8.5401 8.7282 8.8105 8.9089 12.6804 12.7156 14.3852 14.3911 14.6881 14.7120 14.9329 14.9511 k = 0.4079 0.2469 0.8540 ( 3057 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1503 -10.7897 -10.7885 -10.7637 -10.7635 1.4880 1.5182 2.2193 2.2614 2.3589 2.3684 4.2822 4.4050 5.4171 5.5633 5.9846 6.0627 6.5219 6.5303 6.9067 6.9479 7.3079 7.4922 7.8405 7.9948 8.5574 8.7630 8.8477 8.9547 12.7194 12.7581 14.3634 14.3691 14.6776 14.7000 14.9324 14.9489 k = 0.4211 0.2548 0.8446 ( 3058 PWs) bands (ev): -29.8261 -29.8261 -11.1513 -11.1501 -10.7898 -10.7884 -10.7634 -10.7632 1.4523 1.4846 2.2289 2.2732 2.3673 2.3768 4.3119 4.4460 5.4000 5.5597 5.9688 6.0618 6.5106 6.5114 6.8885 6.9255 7.3329 7.5183 7.8163 7.9888 8.5757 8.7977 8.8848 9.0011 12.7553 12.7975 14.3413 14.3473 14.6645 14.6849 14.9361 14.9503 k = 0.4342 0.2628 0.8353 ( 3064 PWs) bands (ev): -29.8261 -29.8261 -11.1512 -11.1500 -10.7898 -10.7884 -10.7632 -10.7630 1.4159 1.4504 2.2387 2.2849 2.3759 2.3853 4.3419 4.4871 5.3838 5.5565 5.9538 6.0615 6.4900 6.4988 6.8697 6.9045 7.3579 7.5403 7.7962 7.9902 8.5956 8.8321 8.9220 9.0481 12.7864 12.8322 14.3196 14.3262 14.6497 14.6676 14.9435 14.9546 k = 0.4474 0.2708 0.8260 ( 3062 PWs) bands (ev): -29.8262 -29.8262 -11.1512 -11.1499 -10.7898 -10.7883 -10.7630 -10.7628 1.3790 1.4155 2.2487 2.2965 2.3847 2.3941 4.3717 4.5279 5.3689 5.5536 5.9399 6.0616 6.4691 6.4840 6.8507 6.8856 7.3819 7.5574 7.7807 7.9986 8.6172 8.8661 8.9590 9.0957 12.8114 12.8605 14.2987 14.3061 14.6344 14.6494 14.9281 14.9366 k = 0.4605 0.2787 0.8167 ( 3060 PWs) bands (ev): -29.8262 -29.8262 -11.1511 -11.1498 -10.7899 -10.7883 -10.7627 -10.7625 1.3414 1.3797 2.2589 2.3082 2.3942 2.4034 4.4008 4.5676 5.3555 5.5512 5.9273 6.0618 6.4483 6.4672 6.8318 6.8692 7.4038 7.5698 7.7702 8.0130 8.6412 8.8995 8.9960 9.1438 12.8289 12.8812 14.2792 14.2877 14.6197 14.6311 14.8675 14.8764 k = 0.4737 0.2867 0.8074 ( 3054 PWs) bands (ev): -29.8262 -29.8262 -11.1510 -11.1496 -10.7899 -10.7882 -10.7624 -10.7622 1.3029 1.3430 2.2693 2.3198 2.4045 2.4134 4.4288 4.6058 5.3440 5.5494 5.9163 6.0620 6.4282 6.4485 6.8134 6.8556 7.4224 7.5779 7.7654 8.0317 8.6678 8.9322 9.0331 9.1925 12.8382 12.8933 14.2613 14.2712 14.6063 14.6130 14.8045 14.8130 k = 0.4868 0.2947 0.7981 ( 3059 PWs) bands (ev): -29.8263 -29.8262 -11.1509 -11.1495 -10.7899 -10.7882 -10.7621 -10.7619 1.2636 1.3052 2.2801 2.3314 2.4160 2.4243 4.4554 4.6418 5.3347 5.5482 5.9069 6.0619 6.4095 6.4284 6.7956 6.8451 7.4372 7.5825 7.7665 8.0529 8.6974 8.9640 9.0702 9.2415 12.8388 12.8963 14.2448 14.2566 14.5931 14.5934 14.7450 14.7515 k = 0.5000 0.3026 0.7888 ( 3056 PWs) bands (ev): -29.8263 -29.8263 -11.1508 -11.1493 -10.7899 -10.7881 -10.7618 -10.7615 1.2232 1.2662 2.2912 2.3430 2.4290 2.4364 4.4804 4.6753 5.3278 5.5476 5.8994 6.0610 6.3928 6.4073 6.7789 6.8376 7.4476 7.5845 7.7735 8.0749 8.7302 8.9947 9.1076 9.2910 12.8310 12.8906 14.2292 14.2434 14.5657 14.5768 14.6963 14.6972 k = 0.5000 0.3026 0.7888 ( 3056 PWs) bands (ev): -29.8263 -29.8263 -11.1508 -11.1493 -10.7899 -10.7881 -10.7618 -10.7615 1.2232 1.2662 2.2912 2.3430 2.4290 2.4364 4.4804 4.6753 5.3278 5.5476 5.8994 6.0610 6.3928 6.4073 6.7789 6.8376 7.4476 7.5845 7.7735 8.0749 8.7302 8.9947 9.1076 9.2910 12.8310 12.8906 14.2292 14.2434 14.5657 14.5768 14.6963 14.6972 k = 0.5000 0.3026 0.7709 ( 3068 PWs) bands (ev): -29.8264 -29.8264 -11.1507 -11.1490 -10.7900 -10.7880 -10.7612 -10.7609 1.1441 1.1894 2.3131 2.3655 2.4554 2.4611 4.5273 4.7370 5.3172 5.5453 5.8866 6.0575 6.3628 6.3649 6.7490 6.8291 7.4624 7.5851 7.7970 8.1208 8.7980 9.0547 9.1825 9.3878 12.8074 12.8703 14.1920 14.2135 14.4685 14.4996 14.6399 14.6464 k = 0.5000 0.3026 0.7529 ( 3066 PWs) bands (ev): -29.8264 -29.8264 -11.1505 -11.1487 -10.7900 -10.7879 -10.7605 -10.7602 1.0645 1.1116 2.3357 2.3888 2.4817 2.4862 4.5749 4.7976 5.3071 5.5395 5.8734 6.0521 6.3216 6.3331 6.7216 6.8261 7.4741 7.5834 7.8305 8.1745 8.8687 9.1186 9.2620 9.4864 12.7824 12.8480 14.1336 14.1649 14.3507 14.3931 14.6149 14.6188 k = 0.5000 0.3026 0.7350 ( 3062 PWs) bands (ev): -29.8265 -29.8265 -11.1502 -11.1483 -10.7900 -10.7877 -10.7598 -10.7594 0.9846 1.0333 2.3592 2.4134 2.5075 2.5112 4.6226 4.8560 5.2977 5.5304 5.8592 6.0448 6.2796 6.3047 6.6970 6.8276 7.4824 7.5802 7.8748 8.2358 8.9419 9.1860 9.3456 9.5866 12.7561 12.8237 14.0415 14.0747 14.2610 14.3048 14.5895 14.5908 k = 0.5000 0.3026 0.7171 ( 3062 PWs) bands (ev): -29.8266 -29.8266 -11.1499 -11.1480 -10.7901 -10.7876 -10.7589 -10.7586 0.9049 0.9547 2.3837 2.4392 2.5328 2.5361 4.6697 4.9110 5.2890 5.5181 5.8434 6.0361 6.2406 6.2783 6.6752 6.8326 7.4874 7.5759 7.9299 8.3047 9.0174 9.2568 9.4327 9.6879 12.7285 12.7975 13.9158 13.9413 14.2075 14.2424 14.5589 14.5591 k = 0.5000 0.3026 0.6992 ( 3072 PWs) bands (ev): -29.8267 -29.8267 -11.1497 -11.1477 -10.7901 -10.7875 -10.7581 -10.7577 0.8255 0.8762 2.4093 2.4665 2.5572 2.5606 4.7155 4.9615 5.2810 5.5031 5.8255 6.0268 6.2058 6.2545 6.6562 6.8405 7.4898 7.5709 7.9956 8.3810 9.0948 9.3307 9.5228 9.7903 12.6999 12.7696 13.7700 13.7886 14.1688 14.1953 14.5238 14.5239 k = 0.5000 0.3026 0.6812 ( 3064 PWs) bands (ev): -29.8268 -29.8268 -11.1494 -11.1473 -10.7901 -10.7874 -10.7571 -10.7567 0.7467 0.7981 2.4361 2.4952 2.5807 2.5847 4.7597 5.0064 5.2741 5.4860 5.8053 6.0179 6.1761 6.2332 6.6402 6.8506 7.4901 7.5655 8.0716 8.4648 9.1741 9.4076 9.6154 9.8933 12.6702 12.7400 13.6142 13.6283 14.1349 14.1550 14.4855 14.4860 k = 0.5000 0.3026 0.6633 ( 3056 PWs) bands (ev): -29.8269 -29.8268 -11.1490 -11.1469 -10.7900 -10.7873 -10.7561 -10.7557 0.6688 0.7206 2.4640 2.5253 2.6032 2.6079 4.8018 5.0446 5.2681 5.4676 5.7827 6.0108 6.1515 6.2143 6.6270 6.8626 7.4888 7.5598 8.1574 8.5558 9.2553 9.4872 9.7100 9.9969 12.6396 12.7089 13.4534 13.4646 14.1027 14.1176 14.4450 14.4460 k = 0.5000 0.3026 0.6454 ( 3056 PWs) bands (ev): -29.8270 -29.8269 -11.1487 -11.1465 -10.7900 -10.7872 -10.7551 -10.7547 0.5918 0.6438 2.4930 2.5569 2.6244 2.6303 4.8411 5.0756 5.2632 5.4489 5.7584 6.0069 6.1319 6.1972 6.6167 6.8760 7.4863 7.5541 8.2525 8.6540 9.3381 9.5692 9.8063 10.1006 12.6081 12.6765 13.2901 13.2995 14.0712 14.0817 14.4032 14.4044 k = 0.5000 0.3026 0.6274 ( 3054 PWs) bands (ev): -29.8271 -29.8270 -11.1483 -11.1460 -10.7899 -10.7870 -10.7540 -10.7536 0.5160 0.5680 2.5231 2.5898 2.6441 2.6517 4.8772 5.0991 5.2592 5.4308 5.7330 6.0073 6.1165 6.1816 6.6094 6.8906 7.4829 7.5484 8.3563 8.7593 9.4225 9.6535 9.9040 10.2044 12.5757 12.6429 13.1258 13.1341 14.0401 14.0465 14.3606 14.3615 k = 0.5000 0.3026 0.6095 ( 3054 PWs) bands (ev): -29.8272 -29.8271 -11.1479 -11.1456 -10.7899 -10.7869 -10.7529 -10.7525 0.4415 0.4933 2.5540 2.6240 2.6622 2.6718 4.9093 5.1157 5.2557 5.4148 5.7075 6.0125 6.1044 6.1673 6.6049 6.9062 7.4790 7.5427 8.4685 8.8715 9.5084 9.7399 10.0026 10.3078 12.5424 12.6080 12.9616 12.9694 14.0094 14.0120 14.3174 14.3178 k = 0.5000 0.3026 0.5916 ( 3058 PWs) bands (ev): -29.8273 -29.8273 -11.1475 -11.1452 -10.7898 -10.7868 -10.7518 -10.7514 0.3684 0.4199 2.5855 2.6594 2.6787 2.6908 4.9367 5.1265 5.2522 5.4022 5.6827 6.0224 6.0950 6.1541 6.6033 6.9227 7.4747 7.5373 8.5884 8.9904 9.5956 9.8281 10.1018 10.4106 12.5073 12.5715 12.7988 12.8067 13.9779 13.9791 14.2720 14.2749 k = 0.5000 0.3026 0.5737 ( 3062 PWs) bands (ev): -29.8274 -29.8274 -11.1471 -11.1449 -10.7898 -10.7867 -10.7506 -10.7502 0.2969 0.3479 2.6173 2.6911 2.6980 2.7087 4.9586 5.1330 5.2481 5.3941 5.6595 6.0359 6.0874 6.1427 6.6044 6.9400 7.4704 7.5320 8.7156 9.1157 9.6838 9.9179 10.2012 10.5124 12.4676 12.5300 12.6418 12.6496 13.9444 13.9493 14.2254 14.2321 k = 0.5000 0.3026 0.5557 ( 3066 PWs) bands (ev): -29.8275 -29.8275 -11.1467 -11.1444 -10.7897 -10.7866 -10.7494 -10.7490 0.2270 0.2774 2.6483 2.7042 2.7262 2.7349 4.9742 5.1368 5.2430 5.3913 5.6389 6.0507 6.0812 6.1348 6.6083 6.9579 7.4660 7.5271 8.8493 9.2472 9.7729 10.0089 10.3004 10.6128 12.4068 12.4472 12.5155 12.5277 13.9115 13.9200 14.1774 14.1895 k = 0.5000 0.3026 0.5378 ( 3070 PWs) bands (ev): -29.8276 -29.8276 -11.1463 -11.1441 -10.7896 -10.7865 -10.7482 -10.7477 0.1589 0.2085 2.6768 2.7140 2.7450 2.7738 4.9836 5.1391 5.2370 5.3938 5.6221 6.0613 6.0759 6.1349 6.6149 6.9764 7.4618 7.5225 8.9891 9.3846 9.8625 10.1007 10.3991 10.7112 12.2865 12.3004 12.4431 12.4804 13.8793 13.8912 14.1276 14.1471 k = 0.5000 0.3026 0.5199 ( 3070 PWs) bands (ev): -29.8277 -29.8277 -11.1459 -11.1436 -10.7895 -10.7864 -10.7469 -10.7465 0.0925 0.1413 2.6998 2.7212 2.7676 2.8138 4.9873 5.1410 5.2302 5.4001 5.6107 6.0622 6.0712 6.1479 6.6241 6.9956 7.4580 7.5183 9.1342 9.5273 9.9522 10.1928 10.4965 10.8070 12.1380 12.1463 12.4020 12.4444 13.8478 13.8630 14.0759 14.1049 k = 0.5000 0.3026 0.5020 ( 3070 PWs) bands (ev): -29.8279 -29.8279 -11.1454 -11.1432 -10.7893 -10.7863 -10.7456 -10.7452 0.0281 0.0759 2.7151 2.7257 2.7961 2.8548 4.9863 5.1431 5.2229 5.4074 5.6071 6.0550 6.0669 6.1712 6.6360 7.0152 7.4546 7.5145 9.2840 9.6750 10.0415 10.2843 10.5923 10.8993 11.9867 11.9945 12.3680 12.4117 13.8170 13.8353 14.0221 14.0629 k = 0.5000 0.3026 0.4840 ( 3082 PWs) bands (ev): -29.8280 -29.8280 -11.1450 -11.1429 -10.7892 -10.7862 -10.7443 -10.7440 -0.0344 0.0124 2.7237 2.7277 2.8295 2.8965 4.9820 5.1460 5.2157 5.4125 5.6136 6.0439 6.0627 6.2002 6.6506 7.0354 7.4520 7.5113 9.4377 9.8270 10.1297 10.3742 10.6854 10.9871 11.8380 11.8474 12.3370 12.3820 13.7871 13.8078 13.9666 14.0210 k = 0.5000 0.3026 0.4661 ( 3082 PWs) bands (ev): -29.8281 -29.8281 -11.1446 -11.1425 -10.7891 -10.7861 -10.7430 -10.7426 -0.0949 -0.0493 2.7271 2.7273 2.8659 2.9390 4.9757 5.1495 5.2091 5.4132 5.6315 6.0312 6.0586 6.2321 6.6681 7.0559 7.4502 7.5087 9.5944 9.9825 10.2157 10.4602 10.7748 11.0693 11.6945 11.7078 12.3083 12.3558 13.7579 13.7798 13.9104 13.9793 k = 0.5000 0.3026 0.4482 ( 3078 PWs) bands (ev): -29.8282 -29.8282 -11.1441 -11.1421 -10.7889 -10.7860 -10.7417 -10.7413 -0.1534 -0.1089 2.7239 2.7269 2.9042 2.9820 4.9683 5.1532 5.2040 5.4095 5.6600 6.0176 6.0545 6.2656 6.6884 7.0768 7.4494 7.5068 9.7529 10.1399 10.2983 10.5389 10.8587 11.1445 11.5596 11.5798 12.2821 12.3343 13.7294 13.7496 13.8556 13.9377 k = 0.5000 0.3026 0.4302 ( 3074 PWs) bands (ev): -29.8284 -29.8283 -11.1437 -11.1417 -10.7887 -10.7859 -10.7403 -10.7400 -0.2097 -0.1666 2.7183 2.7233 2.9436 3.0254 4.9607 5.1556 5.2023 5.4028 5.6971 6.0036 6.0503 6.2999 6.7118 7.0979 7.4499 7.5056 9.9118 10.2947 10.3778 10.6042 10.9338 11.2107 11.4392 11.4706 12.2590 12.3184 13.7013 13.7139 13.8066 13.8967 k = 0.5000 0.3026 0.4123 ( 3070 PWs) bands (ev): -29.8285 -29.8284 -11.1432 -11.1413 -10.7885 -10.7858 -10.7390 -10.7387 -0.2639 -0.2221 2.7104 2.7169 2.9838 3.0691 4.9533 5.1549 5.2058 5.3945 5.7406 5.9894 6.0461 6.3345 6.7385 7.1192 7.4520 7.5053 10.0684 10.4127 10.4811 10.6463 10.9926 11.2637 11.3459 11.3944 12.2397 12.3095 13.6694 13.6733 13.7680 13.8565 k = 0.5000 0.3026 0.3944 ( 3070 PWs) bands (ev): -29.8286 -29.8286 -11.1428 -11.1409 -10.7883 -10.7856 -10.7376 -10.7374 -0.3160 -0.2755 2.7004 2.7080 3.0245 3.1129 4.9465 5.1509 5.2146 5.3857 5.7887 5.9750 6.0421 6.3689 6.7686 7.1405 7.4558 7.5058 10.2176 10.4631 10.6260 10.6555 11.0224 11.2902 11.3032 11.3774 12.2253 12.3084 13.6179 13.6449 13.7394 13.8180 k = 0.5000 0.3026 0.3765 ( 3072 PWs) bands (ev): -29.8287 -29.8287 -11.1424 -11.1406 -10.7881 -10.7855 -10.7363 -10.7361 -0.3658 -0.3268 2.6885 2.6969 3.0655 3.1567 4.9405 5.1447 5.2277 5.3773 5.8398 5.9606 6.0390 6.4028 6.8023 7.1617 7.4616 7.5074 10.3440 10.4731 10.6392 10.7612 11.0332 11.3001 11.3226 11.4155 12.2169 12.3154 13.5645 13.6155 13.7175 13.7821 k = 0.5000 0.3026 0.3585 ( 3068 PWs) bands (ev): -29.8288 -29.8288 -11.1419 -11.1402 -10.7879 -10.7854 -10.7350 -10.7348 -0.4134 -0.3760 2.6750 2.6840 3.1067 3.2002 4.9352 5.1374 5.2437 5.3697 5.8914 5.9461 6.0382 6.4360 6.8399 7.1826 7.4699 7.5101 10.3965 10.4402 10.6534 10.8521 11.0801 11.3187 11.3834 11.4781 12.2157 12.3300 13.5130 13.5846 13.6996 13.7499 k = 0.5000 0.3026 0.3406 ( 3064 PWs) bands (ev): -29.8289 -29.8289 -11.1415 -11.1399 -10.7877 -10.7853 -10.7337 -10.7335 -0.4587 -0.4229 2.6601 2.6695 3.1478 3.2434 4.9307 5.1294 5.2620 5.3632 5.9315 5.9376 6.0451 6.4683 6.8812 7.2031 7.4807 7.5139 10.3446 10.3698 10.7356 10.8892 11.1797 11.3427 11.4705 11.5611 12.2228 12.3508 13.4658 13.5519 13.6847 13.7221 k = 0.5000 0.3026 0.3227 ( 3064 PWs) bands (ev): -29.8290 -29.8290 -11.1411 -11.1396 -10.7874 -10.7852 -10.7325 -10.7323 -0.5018 -0.4675 2.6442 2.6538 3.1886 3.2859 4.9270 5.1210 5.2820 5.3582 5.9169 5.9663 6.0710 6.4996 6.9265 7.2231 7.4945 7.5190 10.2477 10.2755 10.8270 10.8998 11.2918 11.3740 11.5813 11.6627 12.2392 12.3760 13.4242 13.5175 13.6722 13.6991 k = 0.5000 0.3026 0.3048 ( 3064 PWs) bands (ev): -29.8291 -29.8291 -11.1407 -11.1393 -10.7872 -10.7851 -10.7313 -10.7311 -0.5425 -0.5099 2.6274 2.6371 3.2291 3.3275 4.9239 5.1123 5.3033 5.3547 5.9021 5.9741 6.1187 6.5297 6.9755 7.2425 7.5114 7.5254 10.1360 10.1687 10.8913 10.8941 11.3964 11.4225 11.7116 11.7797 12.2663 12.4038 13.3887 13.4822 13.6616 13.6804 k = 0.5000 0.3026 0.2868 ( 3060 PWs) bands (ev): -29.8292 -29.8292 -11.1403 -11.1390 -10.7870 -10.7849 -10.7301 -10.7299 -0.5809 -0.5501 2.6102 2.6197 3.2691 3.3681 4.9215 5.1035 5.3256 5.3530 5.8872 5.9717 6.1771 6.5587 7.0281 7.2615 7.5315 7.5331 10.0191 10.0562 10.8734 10.9167 11.4930 11.4941 11.8505 11.9092 12.3070 12.4326 13.3594 13.4466 13.6526 13.6656 k = 0.5000 0.3026 0.2689 ( 3064 PWs) bands (ev): -29.8293 -29.8293 -11.1400 -11.1387 -10.7868 -10.7849 -10.7290 -10.7288 -0.6170 -0.5879 2.5926 2.6020 3.3083 3.4073 4.9196 5.0944 5.3485 5.3530 5.8722 5.9651 6.2396 6.5866 7.0839 7.2804 7.5423 7.5547 9.9008 9.9419 10.8384 10.9074 11.5840 11.5849 11.9834 12.0479 12.3673 12.4619 13.3360 13.4114 13.6449 13.6539 k = 0.5000 0.3026 0.2510 ( 3062 PWs) bands (ev): -29.8294 -29.8294 -11.1397 -11.1385 -10.7866 -10.7848 -10.7279 -10.7277 -0.6508 -0.6234 2.5751 2.5842 3.3466 3.4450 4.9183 5.0853 5.3549 5.3718 5.8570 5.9563 6.3032 6.6134 7.1426 7.2993 7.5530 7.5810 9.7832 9.8279 10.7911 10.8733 11.6740 11.6828 12.0951 12.1914 12.4559 12.4932 13.3178 13.3772 13.6383 13.6446 k = 0.5000 0.3026 0.2331 ( 3066 PWs) bands (ev): -29.8295 -29.8295 -11.1393 -11.1383 -10.7864 -10.7847 -10.7268 -10.7268 -0.6821 -0.6566 2.5578 2.5665 3.3839 3.4809 4.9174 5.0760 5.3586 5.3952 5.8417 5.9461 6.3667 6.6391 7.2037 7.3188 7.5651 7.6100 9.6675 9.7156 10.7338 10.8229 11.7608 11.7835 12.1787 12.3294 12.5335 12.5750 13.3045 13.3448 13.6322 13.6371 k = 0.5000 0.3026 0.2151 ( 3062 PWs) bands (ev): -29.8296 -29.8296 -11.1390 -11.1380 -10.7861 -10.7846 -10.7259 -10.7258 -0.7111 -0.6875 2.5409 2.5492 3.4199 3.5148 4.9170 5.0667 5.3642 5.4185 5.8263 5.9348 6.4288 6.6637 7.2668 7.3394 7.5787 7.6416 9.5546 9.6061 10.6690 10.7619 11.8450 11.8823 12.2408 12.4353 12.6059 12.7130 13.2970 13.3157 13.6264 13.6307 k = 0.5000 0.3026 0.1972 ( 3070 PWs) bands (ev): -29.8297 -29.8296 -11.1388 -11.1379 -10.7860 -10.7845 -10.7250 -10.7249 -0.7378 -0.7160 2.5247 2.5325 3.4545 3.5463 4.9171 5.0572 5.3715 5.4414 5.8108 5.9226 6.4886 6.6870 7.3311 7.3614 7.5937 7.6754 9.4453 9.4999 10.5991 10.6940 11.9257 11.9770 12.2915 12.4907 12.7238 12.8529 13.2932 13.2994 13.6204 13.6246 k = 0.5000 0.3026 0.1793 ( 3080 PWs) bands (ev): -29.8297 -29.8297 -11.1386 -11.1377 -10.7858 -10.7845 -10.7241 -10.7241 -0.7620 -0.7422 2.5094 2.5166 3.4875 3.5753 4.9178 5.0477 5.3806 5.4636 5.7954 5.9096 6.5451 6.7091 7.3854 7.3962 7.6098 7.7108 9.3403 9.3977 10.5263 10.6217 12.0019 12.0664 12.3374 12.5215 12.8515 12.9737 13.2852 13.3239 13.6136 13.6180 k = 0.5000 0.3026 0.1613 ( 3080 PWs) bands (ev): -29.8298 -29.8298 -11.1383 -11.1376 -10.7856 -10.7844 -10.7234 -10.7233 -0.7839 -0.7659 2.4950 2.5017 3.5187 3.6016 4.9190 5.0382 5.3912 5.4849 5.7803 5.8959 6.5974 6.7299 7.4116 7.4612 7.6270 7.7472 9.2402 9.3002 10.4528 10.5474 12.0727 12.1496 12.3819 12.5448 12.9525 13.0494 13.3100 13.3900 13.6062 13.6102 k = 0.5000 0.3026 0.1434 ( 3084 PWs) bands (ev): -29.8299 -29.8299 -11.1381 -11.1374 -10.7855 -10.7844 -10.7227 -10.7226 -0.8034 -0.7873 2.4818 2.4879 3.5480 3.6249 4.9207 5.0287 5.4034 5.5047 5.7659 5.8815 6.6447 6.7490 7.4403 7.5252 7.6448 7.7841 9.1458 9.2078 10.3806 10.4728 12.1373 12.2256 12.4269 12.5656 13.0014 13.0759 13.3863 13.4948 13.6006 13.6008 k = 0.5000 0.3026 0.1255 ( 3088 PWs) bands (ev): -29.8299 -29.8299 -11.1379 -11.1373 -10.7853 -10.7844 -10.7220 -10.7220 -0.8204 -0.8064 2.4700 2.4753 3.5751 3.6451 4.9232 5.0193 5.4169 5.5225 5.7526 5.8667 6.6866 6.7665 7.4712 7.5867 7.6634 7.8204 9.0581 9.1211 10.3117 10.3997 12.1954 12.2932 12.4726 12.5859 13.0076 13.0743 13.4996 13.5657 13.5910 13.6453 k = 0.5000 0.3026 0.1076 ( 3098 PWs) bands (ev): -29.8300 -29.8300 -11.1378 -11.1373 -10.7852 -10.7844 -10.7215 -10.7215 -0.8351 -0.8230 2.4595 2.4641 3.5998 3.6620 4.9263 5.0099 5.4315 5.5376 5.7412 5.8513 6.7226 6.7821 7.5039 7.6419 7.6850 7.8548 8.9782 9.0410 10.2481 10.3299 12.2471 12.3511 12.5185 12.6066 12.9946 13.0595 13.5603 13.5675 13.6373 13.7640 k = 0.5000 0.3026 0.0896 ( 3100 PWs) bands (ev): -29.8300 -29.8300 -11.1376 -11.1372 -10.7850 -10.7844 -10.7211 -10.7210 -0.8473 -0.8372 2.4505 2.4544 3.6221 3.6755 4.9300 5.0007 5.4471 5.5487 5.7329 5.8356 6.7527 6.7956 7.5376 7.6767 7.7216 7.8858 8.9075 8.9681 10.1917 10.2650 12.2931 12.3979 12.5632 12.6281 12.9756 13.0385 13.5471 13.5558 13.7592 13.8786 k = 0.5000 0.3026 0.0717 ( 3100 PWs) bands (ev): -29.8300 -29.8300 -11.1375 -11.1372 -10.7849 -10.7844 -10.7207 -10.7207 -0.8572 -0.8491 2.4432 2.4463 3.6418 3.6855 4.9345 4.9917 5.4634 5.5549 5.7288 5.8196 6.7770 6.8068 7.5713 7.6919 7.7705 7.9115 8.8478 8.9035 10.1443 10.2068 12.3341 12.4323 12.6047 12.6501 12.9565 13.0148 13.5330 13.5407 13.8728 13.9757 k = 0.5000 0.3026 0.0538 ( 3110 PWs) bands (ev): -29.8301 -29.8301 -11.1374 -11.1372 -10.7848 -10.7844 -10.7204 -10.7204 -0.8646 -0.8585 2.4375 2.4398 3.6585 3.6920 4.9397 4.9829 5.4800 5.5553 5.7297 5.8036 6.7957 6.8154 7.6037 7.6987 7.8182 7.9297 8.8010 8.8483 10.1077 10.1571 12.3704 12.4538 12.6410 12.6710 12.9407 12.9904 13.5202 13.5264 13.9701 14.0497 k = 0.5000 0.3026 0.0359 ( 3118 PWs) bands (ev): -29.8301 -29.8301 -11.1373 -11.1372 -10.7847 -10.7845 -10.7202 -10.7202 -0.8696 -0.8656 2.4335 2.4350 3.6723 3.6949 4.9455 4.9745 5.4965 5.5501 5.7356 5.7877 6.8093 6.8211 7.6332 7.6988 7.8605 7.9381 8.7693 8.8040 10.0832 10.1174 12.4020 12.4628 12.6701 12.6883 12.9308 12.9675 13.5101 13.5145 14.0466 14.0993 k = 0.5000 0.3026 0.0179 ( 3114 PWs) bands (ev): -29.8301 -29.8301 -11.1373 -11.1372 -10.7847 -10.7845 -10.7200 -10.7200 -0.8722 -0.8702 2.4312 2.4320 3.6830 3.6944 4.9519 4.9665 5.5126 5.5405 5.7454 5.7724 6.8182 6.8238 7.6586 7.6920 7.8954 7.9353 8.7538 8.7724 10.0717 10.0893 12.4283 12.4604 12.6903 12.6989 12.9285 12.9481 13.5040 13.5062 14.0991 14.1248 k = 0.5000 0.3026 0.0000 ( 3116 PWs) bands (ev): -29.8301 -29.8301 -11.1372 -11.1372 -10.7846 -10.7846 -10.7200 -10.7200 -0.8724 -0.8724 2.4307 2.4307 3.6904 3.6904 4.9590 4.9590 5.5276 5.5276 5.7580 5.7580 6.8229 6.8229 7.6785 7.6785 7.9208 7.9208 8.7551 8.7551 10.0738 10.0738 12.4483 12.4483 12.7000 12.7000 12.9344 12.9344 13.5026 13.5026 14.1253 14.1253 k = 0.0000 0.0000 0.9657 ( 3056 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8063 1.8063 2.0926 2.0926 2.2882 2.2882 4.2436 4.2436 5.4543 5.4543 6.0178 6.0178 6.5694 6.5694 7.0734 7.0734 7.3916 7.3916 7.8467 7.8467 8.5112 8.5112 8.7193 8.7193 12.9681 12.9681 14.2719 14.2719 14.5844 14.5844 15.0766 15.0766 k = 0.0147 0.0089 0.9657 ( 3068 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8064 1.8064 2.0928 2.0928 2.2880 2.2880 4.2422 4.2422 5.4555 5.4555 6.0185 6.0185 6.5695 6.5695 7.0737 7.0737 7.3884 7.3884 7.8508 7.8508 8.5108 8.5108 8.7182 8.7182 12.9606 12.9606 14.2780 14.2780 14.5870 14.5870 15.0738 15.0738 k = 0.0294 0.0178 0.9657 ( 3070 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8070 1.8070 2.0932 2.0932 2.2875 2.2875 4.2381 4.2381 5.4593 5.4593 6.0204 6.0204 6.5699 6.5699 7.0745 7.0745 7.3792 7.3792 7.8629 7.8629 8.5096 8.5096 8.7146 8.7146 12.9388 12.9388 14.2951 14.2951 14.5948 14.5948 15.0658 15.0658 k = 0.0441 0.0267 0.9657 ( 3082 PWs) bands (ev): -29.8260 -29.8260 -11.1514 -11.1514 -10.7893 -10.7893 -10.7649 -10.7649 1.8078 1.8078 2.0939 2.0939 2.2867 2.2867 4.2314 4.2314 5.4654 5.4654 6.0236 6.0236 6.5706 6.5706 7.0756 7.0756 7.3651 7.3651 7.8817 7.8817 8.5077 8.5077 8.7088 8.7088 12.9049 12.9049 14.3202 14.3202 14.6085 14.6085 15.0528 15.0528 k = 0.0588 0.0356 0.9657 ( 3078 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7893 -10.7893 -10.7649 -10.7649 1.8090 1.8090 2.0949 2.0949 2.2856 2.2856 4.2225 4.2225 5.4734 5.4734 6.0280 6.0280 6.5716 6.5716 7.0769 7.0769 7.3476 7.3476 7.9062 7.9062 8.5050 8.5050 8.7007 8.7007 12.8616 12.8616 14.3492 14.3492 14.6289 14.6289 15.0353 15.0353 k = 0.0735 0.0445 0.9657 ( 3074 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8105 1.8105 2.0961 2.0961 2.2842 2.2842 4.2117 4.2117 5.4830 5.4830 6.0334 6.0334 6.5728 6.5728 7.0782 7.0782 7.3283 7.3283 7.9348 7.9348 8.5016 8.5016 8.6903 8.6903 12.8121 12.8121 14.3782 14.3782 14.6560 14.6560 15.0139 15.0139 k = 0.0882 0.0534 0.9657 ( 3058 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8121 1.8121 2.0975 2.0975 2.2826 2.2826 4.1995 4.1995 5.4938 5.4938 6.0398 6.0398 6.5743 6.5743 7.0790 7.0790 7.3084 7.3084 7.9667 7.9667 8.4977 8.4977 8.6777 8.6777 12.7589 12.7589 14.4046 14.4046 14.6890 14.6890 14.9893 14.9893 k = 0.1029 0.0623 0.9657 ( 3058 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8140 1.8140 2.0991 2.0991 2.2808 2.2808 4.1864 4.1864 5.5052 5.5052 6.0470 6.0470 6.5760 6.5760 7.0788 7.0788 7.2894 7.2894 8.0009 8.0009 8.4931 8.4931 8.6630 8.6630 12.7046 12.7046 14.4277 14.4277 14.7257 14.7257 14.9621 14.9621 k = 0.1176 0.0712 0.9657 ( 3052 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8159 1.8159 2.1007 2.1007 2.2789 2.2789 4.1728 4.1728 5.5169 5.5169 6.0548 6.0548 6.5780 6.5780 7.0772 7.0772 7.2722 7.2722 8.0366 8.0366 8.4880 8.4880 8.6464 8.6464 12.6510 12.6510 14.4478 14.4479 14.7633 14.7633 14.9332 14.9332 k = 0.1324 0.0801 0.9657 ( 3052 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8179 1.8179 2.1025 2.1025 2.2769 2.2769 4.1593 4.1593 5.5283 5.5283 6.0630 6.0630 6.5801 6.5801 7.0738 7.0738 7.2579 7.2579 8.0733 8.0733 8.4825 8.4825 8.6280 8.6280 12.5997 12.5997 14.4660 14.4660 14.7990 14.7990 14.9037 14.9037 k = 0.1471 0.0890 0.9657 ( 3052 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8199 1.8199 2.1043 2.1043 2.2749 2.2749 4.1462 4.1462 5.5392 5.5392 6.0711 6.0711 6.5824 6.5824 7.0683 7.0683 7.2469 7.2469 8.1106 8.1106 8.4764 8.4764 8.6081 8.6081 12.5519 12.5519 14.4830 14.4830 14.8287 14.8287 14.8762 14.8762 k = 0.1618 0.0979 0.9657 ( 3052 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8217 1.8217 2.1060 2.1060 2.2729 2.2729 4.1341 4.1341 5.5492 5.5492 6.0791 6.0791 6.5847 6.5847 7.0611 7.0611 7.2392 7.2392 8.1480 8.1480 8.4696 8.4696 8.5872 8.5872 12.5088 12.5088 14.4997 14.4997 14.8313 14.8313 14.8715 14.8715 k = 0.1765 0.1068 0.9657 ( 3062 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8234 1.8234 2.1076 2.1076 2.2711 2.2711 4.1231 4.1231 5.5580 5.5580 6.0865 6.0865 6.5869 6.5869 7.0527 7.0527 7.2345 7.2345 8.1852 8.1852 8.4618 8.4618 8.5660 8.5660 12.4710 12.4710 14.5163 14.5163 14.8056 14.8056 14.8911 14.8911 k = 0.1912 0.1157 0.9657 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8249 1.8249 2.1090 2.1090 2.2695 2.2695 4.1137 4.1137 5.5655 5.5655 6.0931 6.0931 6.5891 6.5891 7.0442 7.0442 7.2319 7.2319 8.2217 8.2217 8.4520 8.4520 8.5459 8.5459 12.4393 12.4393 14.5330 14.5330 14.7778 14.7778 14.9094 14.9094 k = 0.2059 0.1246 0.9657 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7648 -10.7648 1.8261 1.8261 2.1101 2.1101 2.2682 2.2682 4.1062 4.1062 5.5714 5.5714 6.0986 6.0986 6.5909 6.5909 7.0365 7.0365 7.2308 7.2308 8.2570 8.2570 8.4392 8.4392 8.5284 8.5284 12.4142 12.4142 14.5494 14.5494 14.7517 14.7517 14.9237 14.9237 k = 0.2206 0.1335 0.9657 ( 3060 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8270 1.8270 2.1110 2.1110 2.2672 2.2672 4.1006 4.1006 5.5758 5.5758 6.1027 6.1027 6.5923 6.5923 7.0304 7.0304 7.2305 7.2305 8.2900 8.2900 8.4226 8.4226 8.5156 8.5156 12.3960 12.3960 14.5645 14.5645 14.7292 14.7292 14.9338 14.9338 k = 0.2353 0.1424 0.9657 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8276 1.8276 2.1115 2.1115 2.2666 2.2666 4.0973 4.0973 5.5784 5.5784 6.1052 6.1052 6.5932 6.5932 7.0265 7.0265 7.2305 7.2305 8.3182 8.3182 8.4040 8.4040 8.5080 8.5080 12.3849 12.3849 14.5761 14.5761 14.7130 14.7130 14.9398 14.9398 k = 0.2500 0.1513 0.9657 ( 3064 PWs) bands (ev): -29.8260 -29.8260 -11.1513 -11.1513 -10.7892 -10.7892 -10.7649 -10.7649 1.8278 1.8278 2.1117 2.1117 2.2664 2.2664 4.0961 4.0961 5.5793 5.5793 6.1061 6.1061 6.5936 6.5936 7.0251 7.0251 7.2305 7.2305 8.3317 8.3317 8.3936 8.3936 8.5056 8.5056 12.3812 12.3812 14.5808 14.5808 14.7068 14.7068 14.9418 14.9418 Writing output data file CaSi3Pt.save init_run : 1.50s CPU 0.96s WALL ( 1 calls) electrons : 408.26s CPU 293.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.02s WALL ( 1 calls) potinit : 0.09s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 408.25s CPU 293.64s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.41s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.36s WALL ( 350 calls) cegterg : 371.23s CPU 272.61s WALL ( 947 calls) Called by sum_band: Called by *egterg: h_psi : 249.78s CPU 162.08s WALL ( 17139 calls) s_psi : 15.13s CPU 10.64s WALL ( 17139 calls) g_psi : 0.40s CPU 0.27s WALL ( 15842 calls) cdiaghg : 109.93s CPU 95.00s WALL ( 16192 calls) cegterg:over : 9.62s CPU 7.30s WALL ( 15842 calls) cegterg:upda : 8.03s CPU 6.78s WALL ( 15842 calls) cegterg:last : 3.71s CPU 2.90s WALL ( 2358 calls) cdiaghg:chol : 6.12s CPU 5.40s WALL ( 16192 calls) cdiaghg:inve : 3.10s CPU 2.86s WALL ( 16192 calls) cdiaghg:para : 5.98s CPU 5.23s WALL ( 32384 calls) Called by h_psi: h_psi:vloc : 216.57s CPU 137.87s WALL ( 17139 calls) h_psi:vnl : 32.88s CPU 23.96s WALL ( 17139 calls) add_vuspsi : 19.74s CPU 13.85s WALL ( 17139 calls) General routines calbec : 13.08s CPU 10.05s WALL ( 17139 calls) fft : 0.07s CPU 0.05s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 200.94s CPU 126.55s WALL ( 1109264 calls) interpolate : 0.05s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 0.52s WALL ( 700 calls) Parallel routines fft_scatter : 80.14s CPU 57.51s WALL ( 1109287 calls) PWSCF : 7m 3.18s CPU 5m27.05s WALL This run was terminated on: 2:46:26 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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