Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 8:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaC2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 23 6 2565 904 139 Max 47 24 7 2573 920 147 Sum 1657 831 243 92563 32855 5165 bravais-lattice index = 14 lattice parameter (alat) = 8.4025 a.u. unit-cell volume = 927.2779 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.402508 celldm(2)= 1.000000 celldm(3)= 1.818566 celldm(4)= 0.257761 celldm(5)= 0.257761 celldm(6)= 0.430810 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.430810 0.902443 0.000000 ) a(3) = ( 0.468755 0.295654 1.732062 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.477382 -0.189147 ) b(2) = ( 0.000000 1.108103 -0.189147 ) b(3) = ( 0.000000 0.000000 0.577346 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0113636 0.0071673 -0.0042988), wk = 0.0030120 k( 3) = ( 0.0227273 0.0143346 -0.0085976), wk = 0.0030120 k( 4) = ( 0.0340909 0.0215019 -0.0128964), wk = 0.0030120 k( 5) = ( 0.0454546 0.0286692 -0.0171952), wk = 0.0030120 k( 6) = ( 0.0568182 0.0358365 -0.0214940), wk = 0.0030120 k( 7) = ( 0.0681818 0.0430038 -0.0257928), wk = 0.0030120 k( 8) = ( 0.0795455 0.0501710 -0.0300916), wk = 0.0030120 k( 9) = ( 0.0909091 0.0573383 -0.0343904), wk = 0.0030120 k( 10) = ( 0.1022727 0.0645056 -0.0386892), wk = 0.0030120 k( 11) = ( 0.1136364 0.0716729 -0.0429880), wk = 0.0030120 k( 12) = ( 0.1250000 0.0788402 -0.0472869), wk = 0.0030120 k( 13) = ( 0.1363636 0.0860075 -0.0515857), wk = 0.0030120 k( 14) = ( 0.1477273 0.0931748 -0.0558845), wk = 0.0030120 k( 15) = ( 0.1590909 0.1003421 -0.0601833), wk = 0.0030120 k( 16) = ( 0.1704546 0.1075094 -0.0644821), wk = 0.0030120 k( 17) = ( 0.1818182 0.1146767 -0.0687809), wk = 0.0030120 k( 18) = ( 0.1931818 0.1218440 -0.0730797), wk = 0.0030120 k( 19) = ( 0.2045454 0.1290113 -0.0773785), wk = 0.0030120 k( 20) = ( 0.2159091 0.1361786 -0.0816773), wk = 0.0030120 k( 21) = ( 0.2272727 0.1433459 -0.0859761), wk = 0.0030120 k( 22) = ( 0.2386364 0.1505131 -0.0902749), wk = 0.0030120 k( 23) = ( 0.2500000 0.1576804 -0.0945737), wk = 0.0030120 k( 24) = ( 0.2613636 0.1648477 -0.0988725), wk = 0.0030120 k( 25) = ( 0.2727273 0.1720150 -0.1031713), wk = 0.0030120 k( 26) = ( 0.2840909 0.1791823 -0.1074701), wk = 0.0030120 k( 27) = ( 0.2954545 0.1863496 -0.1117689), wk = 0.0030120 k( 28) = ( 0.3068182 0.1935169 -0.1160677), wk = 0.0030120 k( 29) = ( 0.3181818 0.2006842 -0.1203665), wk = 0.0030120 k( 30) = ( 0.3295455 0.2078515 -0.1246653), wk = 0.0030120 k( 31) = ( 0.3409091 0.2150188 -0.1289641), wk = 0.0030120 k( 32) = ( 0.3522727 0.2221861 -0.1332629), wk = 0.0030120 k( 33) = ( 0.3636364 0.2293534 -0.1375618), wk = 0.0030120 k( 34) = ( 0.3750000 0.2365207 -0.1418606), wk = 0.0030120 k( 35) = ( 0.3863636 0.2436880 -0.1461594), wk = 0.0030120 k( 36) = ( 0.3977273 0.2508553 -0.1504582), wk = 0.0030120 k( 37) = ( 0.4090909 0.2580225 -0.1547570), wk = 0.0030120 k( 38) = ( 0.4204545 0.2651898 -0.1590558), wk = 0.0030120 k( 39) = ( 0.4318182 0.2723571 -0.1633546), wk = 0.0030120 k( 40) = ( 0.4431818 0.2795244 -0.1676534), wk = 0.0030120 k( 41) = ( 0.4545455 0.2866917 -0.1719522), wk = 0.0030120 k( 42) = ( 0.4659091 0.2938590 -0.1762510), wk = 0.0030120 k( 43) = ( 0.4772727 0.3010263 -0.1805498), wk = 0.0030120 k( 44) = ( 0.4886364 0.3081936 -0.1848486), wk = 0.0030120 k( 45) = ( 0.5000000 0.3153609 -0.1891474), wk = 0.0030120 k( 46) = ( 0.5000000 0.3153609 -0.1891474), wk = 0.0030120 k( 47) = ( 0.5033669 0.3174845 -0.1767067), wk = 0.0030120 k( 48) = ( 0.5067338 0.3196080 -0.1642660), wk = 0.0030120 k( 49) = ( 0.5101007 0.3217316 -0.1518252), wk = 0.0030120 k( 50) = ( 0.5134675 0.3238552 -0.1393845), wk = 0.0030120 k( 51) = ( 0.5168344 0.3259787 -0.1269438), wk = 0.0030120 k( 52) = ( 0.5202013 0.3281023 -0.1145030), wk = 0.0030120 k( 53) = ( 0.5235682 0.3302259 -0.1020623), wk = 0.0030120 k( 54) = ( 0.5269351 0.3323494 -0.0896216), wk = 0.0030120 k( 55) = ( 0.5269351 0.3323494 -0.0896216), wk = 0.0030120 k( 56) = ( 0.5250111 0.3311360 -0.0761110), wk = 0.0030120 k( 57) = ( 0.5230872 0.3299225 -0.0626005), wk = 0.0030120 k( 58) = ( 0.5211633 0.3287090 -0.0490900), wk = 0.0030120 k( 59) = ( 0.5192393 0.3274956 -0.0355795), wk = 0.0030120 k( 60) = ( 0.5173154 0.3262821 -0.0220689), wk = 0.0030120 k( 61) = ( 0.5153915 0.3250686 -0.0085584), wk = 0.0030120 k( 62) = ( 0.5134675 0.3238552 0.0049521), wk = 0.0030120 k( 63) = ( 0.5115436 0.3226417 0.0184627), wk = 0.0030120 k( 64) = ( 0.5096197 0.3214282 0.0319732), wk = 0.0030120 k( 65) = ( 0.5076957 0.3202148 0.0454837), wk = 0.0030120 k( 66) = ( 0.5057718 0.3190013 0.0589942), wk = 0.0030120 k( 67) = ( 0.5038479 0.3177878 0.0725048), wk = 0.0030120 k( 68) = ( 0.5019239 0.3165744 0.0860153), wk = 0.0030120 k( 69) = ( 0.5000000 0.3153609 0.0995258), wk = 0.0030120 k( 70) = ( 0.5000000 0.3153609 0.0995258), wk = 0.0030120 k( 71) = ( 0.5074541 0.3035425 0.0995258), wk = 0.0030120 k( 72) = ( 0.5149082 0.2917241 0.0995258), wk = 0.0030120 k( 73) = ( 0.5223623 0.2799058 0.0995258), wk = 0.0030120 k( 74) = ( 0.5298164 0.2680874 0.0995258), wk = 0.0030120 k( 75) = ( 0.5372705 0.2562690 0.0995258), wk = 0.0030120 k( 76) = ( 0.5447246 0.2444506 0.0995258), wk = 0.0030120 k( 77) = ( 0.5521787 0.2326323 0.0995258), wk = 0.0030120 k( 78) = ( 0.5596328 0.2208139 0.0995258), wk = 0.0030120 k( 79) = ( 0.5670869 0.2089955 0.0995258), wk = 0.0030120 k( 80) = ( 0.5745411 0.1971771 0.0995258), wk = 0.0030120 k( 81) = ( 0.5819952 0.1853588 0.0995258), wk = 0.0030120 k( 82) = ( 0.5894493 0.1735404 0.0995258), wk = 0.0030120 k( 83) = ( 0.5969034 0.1617220 0.0995258), wk = 0.0030120 k( 84) = ( 0.6043575 0.1499037 0.0995258), wk = 0.0030120 k( 85) = ( 0.6118116 0.1380853 0.0995258), wk = 0.0030120 k( 86) = ( 0.6192657 0.1262669 0.0995258), wk = 0.0030120 k( 87) = ( 0.6267198 0.1144485 0.0995258), wk = 0.0030120 k( 88) = ( 0.6341739 0.1026302 0.0995258), wk = 0.0030120 k( 89) = ( 0.6416280 0.0908118 0.0995258), wk = 0.0030120 k( 90) = ( 0.6490821 0.0789934 0.0995258), wk = 0.0030120 k( 91) = ( 0.6565362 0.0671750 0.0995258), wk = 0.0030120 k( 92) = ( 0.6639903 0.0553567 0.0995258), wk = 0.0030120 k( 93) = ( 0.6714444 0.0435383 0.0995258), wk = 0.0030120 k( 94) = ( 0.3285556 -0.5209200 0.2886732), wk = 0.0030120 k( 95) = ( 0.3210884 -0.5090809 0.2886732), wk = 0.0030120 k( 96) = ( 0.3136212 -0.4972418 0.2886732), wk = 0.0030120 k( 97) = ( 0.3061541 -0.4854027 0.2886732), wk = 0.0030120 k( 98) = ( 0.2986869 -0.4735636 0.2886732), wk = 0.0030120 k( 99) = ( 0.2912197 -0.4617245 0.2886732), wk = 0.0030120 k( 100) = ( 0.2837525 -0.4498854 0.2886732), wk = 0.0030120 k( 101) = ( 0.2762854 -0.4380463 0.2886732), wk = 0.0030120 k( 102) = ( 0.2688182 -0.4262072 0.2886732), wk = 0.0030120 k( 103) = ( 0.2613510 -0.4143682 0.2886732), wk = 0.0030120 k( 104) = ( 0.2538839 -0.4025291 0.2886732), wk = 0.0030120 k( 105) = ( 0.2464167 -0.3906900 0.2886732), wk = 0.0030120 k( 106) = ( 0.2389495 -0.3788509 0.2886732), wk = 0.0030120 k( 107) = ( 0.2314823 -0.3670118 0.2886732), wk = 0.0030120 k( 108) = ( 0.2240152 -0.3551727 0.2886732), wk = 0.0030120 k( 109) = ( 0.2165480 -0.3433336 0.2886732), wk = 0.0030120 k( 110) = ( 0.2090808 -0.3314945 0.2886732), wk = 0.0030120 k( 111) = ( 0.2016136 -0.3196554 0.2886732), wk = 0.0030120 k( 112) = ( 0.1941465 -0.3078163 0.2886732), wk = 0.0030120 k( 113) = ( 0.1866793 -0.2959773 0.2886732), wk = 0.0030120 k( 114) = ( 0.1792121 -0.2841382 0.2886732), wk = 0.0030120 k( 115) = ( 0.1717450 -0.2722991 0.2886732), wk = 0.0030120 k( 116) = ( 0.1642778 -0.2604600 0.2886732), wk = 0.0030120 k( 117) = ( 0.1568106 -0.2486209 0.2886732), wk = 0.0030120 k( 118) = ( 0.1493434 -0.2367818 0.2886732), wk = 0.0030120 k( 119) = ( 0.1418763 -0.2249427 0.2886732), wk = 0.0030120 k( 120) = ( 0.1344091 -0.2131036 0.2886732), wk = 0.0030120 k( 121) = ( 0.1269419 -0.2012645 0.2886732), wk = 0.0030120 k( 122) = ( 0.1194748 -0.1894254 0.2886732), wk = 0.0030120 k( 123) = ( 0.1120076 -0.1775864 0.2886732), wk = 0.0030120 k( 124) = ( 0.1045404 -0.1657473 0.2886732), wk = 0.0030120 k( 125) = ( 0.0970732 -0.1539082 0.2886732), wk = 0.0030120 k( 126) = ( 0.0896061 -0.1420691 0.2886732), wk = 0.0030120 k( 127) = ( 0.0821389 -0.1302300 0.2886732), wk = 0.0030120 k( 128) = ( 0.0746717 -0.1183909 0.2886732), wk = 0.0030120 k( 129) = ( 0.0672046 -0.1065518 0.2886732), wk = 0.0030120 k( 130) = ( 0.0597374 -0.0947127 0.2886732), wk = 0.0030120 k( 131) = ( 0.0522702 -0.0828736 0.2886732), wk = 0.0030120 k( 132) = ( 0.0448030 -0.0710345 0.2886732), wk = 0.0030120 k( 133) = ( 0.0373359 -0.0591955 0.2886732), wk = 0.0030120 k( 134) = ( 0.0298687 -0.0473564 0.2886732), wk = 0.0030120 k( 135) = ( 0.0224015 -0.0355173 0.2886732), wk = 0.0030120 k( 136) = ( 0.0149343 -0.0236782 0.2886732), wk = 0.0030120 k( 137) = ( 0.0074672 -0.0118391 0.2886732), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2886732), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2886732), wk = 0.0030120 k( 140) = ( 0.0118266 0.0074593 0.2886732), wk = 0.0030120 k( 141) = ( 0.0236533 0.0149186 0.2886732), wk = 0.0030120 k( 142) = ( 0.0354799 0.0223779 0.2886732), wk = 0.0030120 k( 143) = ( 0.0473065 0.0298372 0.2886732), wk = 0.0030120 k( 144) = ( 0.0591331 0.0372965 0.2886732), wk = 0.0030120 k( 145) = ( 0.0709597 0.0447559 0.2886732), wk = 0.0030120 k( 146) = ( 0.0827864 0.0522152 0.2886732), wk = 0.0030120 k( 147) = ( 0.0946130 0.0596745 0.2886732), wk = 0.0030120 k( 148) = ( 0.1064396 0.0671338 0.2886732), wk = 0.0030120 k( 149) = ( 0.1182662 0.0745931 0.2886732), wk = 0.0030120 k( 150) = ( 0.1300929 0.0820524 0.2886732), wk = 0.0030120 k( 151) = ( 0.1419195 0.0895117 0.2886732), wk = 0.0030120 k( 152) = ( 0.1537461 0.0969710 0.2886732), wk = 0.0030120 k( 153) = ( 0.1655727 0.1044303 0.2886732), wk = 0.0030120 k( 154) = ( 0.1773994 0.1118896 0.2886732), wk = 0.0030120 k( 155) = ( 0.1892260 0.1193489 0.2886732), wk = 0.0030120 k( 156) = ( 0.2010526 0.1268083 0.2886732), wk = 0.0030120 k( 157) = ( 0.2128792 0.1342676 0.2886732), wk = 0.0030120 k( 158) = ( 0.2247058 0.1417269 0.2886732), wk = 0.0030120 k( 159) = ( 0.2365325 0.1491862 0.2886732), wk = 0.0030120 k( 160) = ( 0.2483591 0.1566455 0.2886732), wk = 0.0030120 k( 161) = ( 0.2601857 0.1641048 0.2886732), wk = 0.0030120 k( 162) = ( 0.2720123 0.1715641 0.2886732), wk = 0.0030120 k( 163) = ( 0.2838390 0.1790234 0.2886732), wk = 0.0030120 k( 164) = ( 0.2956656 0.1864827 0.2886732), wk = 0.0030120 k( 165) = ( 0.3074922 0.1939420 0.2886732), wk = 0.0030120 k( 166) = ( 0.3193188 0.2014013 0.2886732), wk = 0.0030120 k( 167) = ( 0.3311455 0.2088606 0.2886732), wk = 0.0030120 k( 168) = ( 0.3429721 0.2163200 0.2886732), wk = 0.0030120 k( 169) = ( 0.3547987 0.2237793 0.2886732), wk = 0.0030120 k( 170) = ( 0.3666253 0.2312386 0.2886732), wk = 0.0030120 k( 171) = ( 0.3784519 0.2386979 0.2886732), wk = 0.0030120 k( 172) = ( 0.3902786 0.2461572 0.2886732), wk = 0.0030120 k( 173) = ( 0.4021052 0.2536165 0.2886732), wk = 0.0030120 k( 174) = ( 0.4139318 0.2610758 0.2886732), wk = 0.0030120 k( 175) = ( 0.4257584 0.2685351 0.2886732), wk = 0.0030120 k( 176) = ( 0.4375851 0.2759944 0.2886732), wk = 0.0030120 k( 177) = ( 0.4494117 0.2834537 0.2886732), wk = 0.0030120 k( 178) = ( 0.4612383 0.2909130 0.2886732), wk = 0.0030120 k( 179) = ( 0.4730649 0.2983724 0.2886732), wk = 0.0030120 k( 180) = ( 0.5000000 0.3153609 -0.1891474), wk = 0.0030120 k( 181) = ( 0.5073877 0.3036479 -0.1891474), wk = 0.0030120 k( 182) = ( 0.5147753 0.2919348 -0.1891474), wk = 0.0030120 k( 183) = ( 0.5221630 0.2802218 -0.1891474), wk = 0.0030120 k( 184) = ( 0.5295507 0.2685088 -0.1891474), wk = 0.0030120 k( 185) = ( 0.5369383 0.2567957 -0.1891474), wk = 0.0030120 k( 186) = ( 0.5443260 0.2450827 -0.1891474), wk = 0.0030120 k( 187) = ( 0.5517137 0.2333697 -0.1891474), wk = 0.0030120 k( 188) = ( 0.5591013 0.2216566 -0.1891474), wk = 0.0030120 k( 189) = ( 0.5664890 0.2099436 -0.1891474), wk = 0.0030120 k( 190) = ( 0.5738766 0.1982306 -0.1891474), wk = 0.0030120 k( 191) = ( 0.5812643 0.1865175 -0.1891474), wk = 0.0030120 k( 192) = ( 0.5886520 0.1748045 -0.1891474), wk = 0.0030120 k( 193) = ( 0.5960396 0.1630915 -0.1891474), wk = 0.0030120 k( 194) = ( 0.6034273 0.1513784 -0.1891474), wk = 0.0030120 k( 195) = ( 0.6108150 0.1396654 -0.1891474), wk = 0.0030120 k( 196) = ( 0.6182026 0.1279524 -0.1891474), wk = 0.0030120 k( 197) = ( 0.6255903 0.1162394 -0.1891474), wk = 0.0030120 k( 198) = ( 0.6329780 0.1045263 -0.1891474), wk = 0.0030120 k( 199) = ( 0.6403656 0.0928133 -0.1891474), wk = 0.0030120 k( 200) = ( 0.3596344 -0.5701950 -0.0000000), wk = 0.0030120 k( 201) = ( 0.3521420 -0.5583159 0.0000000), wk = 0.0030120 k( 202) = ( 0.3446496 -0.5464368 -0.0000000), wk = 0.0030120 k( 203) = ( 0.3371572 -0.5345578 -0.0000000), wk = 0.0030120 k( 204) = ( 0.3296649 -0.5226787 0.0000000), wk = 0.0030120 k( 205) = ( 0.3221725 -0.5107996 0.0000000), wk = 0.0030120 k( 206) = ( 0.3146801 -0.4989206 -0.0000000), wk = 0.0030120 k( 207) = ( 0.3071877 -0.4870415 0.0000000), wk = 0.0030120 k( 208) = ( 0.2996953 -0.4751625 0.0000000), wk = 0.0030120 k( 209) = ( 0.2922029 -0.4632834 -0.0000000), wk = 0.0030120 k( 210) = ( 0.2847106 -0.4514043 -0.0000000), wk = 0.0030120 k( 211) = ( 0.2772182 -0.4395253 0.0000000), wk = 0.0030120 k( 212) = ( 0.2697258 -0.4276462 -0.0000000), wk = 0.0030120 k( 213) = ( 0.2622334 -0.4157672 -0.0000000), wk = 0.0030120 k( 214) = ( 0.2547410 -0.4038881 -0.0000000), wk = 0.0030120 k( 215) = ( 0.2472486 -0.3920090 -0.0000000), wk = 0.0030120 k( 216) = ( 0.2397563 -0.3801300 -0.0000000), wk = 0.0030120 k( 217) = ( 0.2322639 -0.3682509 -0.0000000), wk = 0.0030120 k( 218) = ( 0.2247715 -0.3563719 -0.0000000), wk = 0.0030120 k( 219) = ( 0.2172791 -0.3444928 -0.0000000), wk = 0.0030120 k( 220) = ( 0.2097867 -0.3326137 -0.0000000), wk = 0.0030120 k( 221) = ( 0.2022943 -0.3207347 -0.0000000), wk = 0.0030120 k( 222) = ( 0.1948020 -0.3088556 -0.0000000), wk = 0.0030120 k( 223) = ( 0.1873096 -0.2969765 -0.0000000), wk = 0.0030120 k( 224) = ( 0.1798172 -0.2850975 -0.0000000), wk = 0.0030120 k( 225) = ( 0.1723248 -0.2732184 0.0000000), wk = 0.0030120 k( 226) = ( 0.1648324 -0.2613394 0.0000000), wk = 0.0030120 k( 227) = ( 0.1573400 -0.2494603 -0.0000000), wk = 0.0030120 k( 228) = ( 0.1498477 -0.2375812 0.0000000), wk = 0.0030120 k( 229) = ( 0.1423553 -0.2257022 0.0000000), wk = 0.0030120 k( 230) = ( 0.1348629 -0.2138231 -0.0000000), wk = 0.0030120 k( 231) = ( 0.1273705 -0.2019440 -0.0000000), wk = 0.0030120 k( 232) = ( 0.1198781 -0.1900650 -0.0000000), wk = 0.0030120 k( 233) = ( 0.1123857 -0.1781859 0.0000000), wk = 0.0030120 k( 234) = ( 0.1048934 -0.1663069 -0.0000000), wk = 0.0030120 k( 235) = ( 0.0974010 -0.1544278 0.0000000), wk = 0.0030120 k( 236) = ( 0.0899086 -0.1425487 -0.0000000), wk = 0.0030120 k( 237) = ( 0.0824162 -0.1306697 0.0000000), wk = 0.0030120 k( 238) = ( 0.0749238 -0.1187906 0.0000000), wk = 0.0030120 k( 239) = ( 0.0674315 -0.1069116 0.0000000), wk = 0.0030120 k( 240) = ( 0.0599391 -0.0950325 0.0000000), wk = 0.0030120 k( 241) = ( 0.0524467 -0.0831534 -0.0000000), wk = 0.0030120 k( 242) = ( 0.0449543 -0.0712744 -0.0000000), wk = 0.0030120 k( 243) = ( 0.0374619 -0.0593953 0.0000000), wk = 0.0030120 k( 244) = ( 0.0299695 -0.0475162 0.0000000), wk = 0.0030120 k( 245) = ( 0.0224772 -0.0356372 -0.0000000), wk = 0.0030120 k( 246) = ( 0.0149848 -0.0237581 0.0000000), wk = 0.0030120 k( 247) = ( 0.0074924 -0.0118791 0.0000000), wk = 0.0030120 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 250) = ( 0.0125000 -0.0059673 -0.0023643), wk = 0.0030120 k( 251) = ( 0.0250000 -0.0119345 -0.0047287), wk = 0.0030120 k( 252) = ( 0.0375000 -0.0179018 -0.0070930), wk = 0.0030120 k( 253) = ( 0.0500000 -0.0238691 -0.0094574), wk = 0.0030120 k( 254) = ( 0.0625000 -0.0298364 -0.0118217), wk = 0.0030120 k( 255) = ( 0.0750000 -0.0358036 -0.0141861), wk = 0.0030120 k( 256) = ( 0.0875000 -0.0417709 -0.0165504), wk = 0.0030120 k( 257) = ( 0.1000000 -0.0477382 -0.0189147), wk = 0.0030120 k( 258) = ( 0.1125000 -0.0537054 -0.0212791), wk = 0.0030120 k( 259) = ( 0.1250000 -0.0596727 -0.0236434), wk = 0.0030120 k( 260) = ( 0.1375000 -0.0656400 -0.0260078), wk = 0.0030120 k( 261) = ( 0.1500000 -0.0716073 -0.0283721), wk = 0.0030120 k( 262) = ( 0.1625000 -0.0775745 -0.0307365), wk = 0.0030120 k( 263) = ( 0.1750000 -0.0835418 -0.0331008), wk = 0.0030120 k( 264) = ( 0.1875000 -0.0895091 -0.0354651), wk = 0.0030120 k( 265) = ( 0.2000000 -0.0954763 -0.0378295), wk = 0.0030120 k( 266) = ( 0.2125000 -0.1014436 -0.0401938), wk = 0.0030120 k( 267) = ( 0.2250000 -0.1074109 -0.0425582), wk = 0.0030120 k( 268) = ( 0.2375000 -0.1133781 -0.0449225), wk = 0.0030120 k( 269) = ( 0.2500000 -0.1193454 -0.0472869), wk = 0.0030120 k( 270) = ( 0.2625000 -0.1253127 -0.0496512), wk = 0.0030120 k( 271) = ( 0.2750000 -0.1312800 -0.0520155), wk = 0.0030120 k( 272) = ( 0.2875000 -0.1372472 -0.0543799), wk = 0.0030120 k( 273) = ( 0.3000000 -0.1432145 -0.0567442), wk = 0.0030120 k( 274) = ( 0.3125000 -0.1491818 -0.0591086), wk = 0.0030120 k( 275) = ( 0.3250000 -0.1551490 -0.0614729), wk = 0.0030120 k( 276) = ( 0.3375000 -0.1611163 -0.0638373), wk = 0.0030120 k( 277) = ( 0.3500000 -0.1670836 -0.0662016), wk = 0.0030120 k( 278) = ( 0.3625000 -0.1730509 -0.0685659), wk = 0.0030120 k( 279) = ( 0.3750000 -0.1790181 -0.0709303), wk = 0.0030120 k( 280) = ( 0.3875000 -0.1849854 -0.0732946), wk = 0.0030120 k( 281) = ( 0.4000000 -0.1909527 -0.0756590), wk = 0.0030120 k( 282) = ( 0.4125000 -0.1969199 -0.0780233), wk = 0.0030120 k( 283) = ( 0.4250000 -0.2028872 -0.0803876), wk = 0.0030120 k( 284) = ( 0.4375000 -0.2088545 -0.0827520), wk = 0.0030120 k( 285) = ( 0.4500000 -0.2148218 -0.0851163), wk = 0.0030120 k( 286) = ( 0.4625000 -0.2207890 -0.0874807), wk = 0.0030120 k( 287) = ( 0.4750000 -0.2267563 -0.0898450), wk = 0.0030120 k( 288) = ( 0.4875000 -0.2327236 -0.0922094), wk = 0.0030120 k( 289) = ( 0.5000000 -0.2386908 -0.0945737), wk = 0.0030120 k( 290) = ( 0.5000000 -0.2386908 0.1940995), wk = 0.0030120 k( 291) = ( 0.4880952 -0.2330077 0.1894781), wk = 0.0030120 k( 292) = ( 0.4761905 -0.2273246 0.1848567), wk = 0.0030120 k( 293) = ( 0.4642857 -0.2216415 0.1802353), wk = 0.0030120 k( 294) = ( 0.4523810 -0.2159584 0.1756139), wk = 0.0030120 k( 295) = ( 0.4404762 -0.2102753 0.1709924), wk = 0.0030120 k( 296) = ( 0.4285714 -0.2045921 0.1663710), wk = 0.0030120 k( 297) = ( 0.4166667 -0.1989090 0.1617496), wk = 0.0030120 k( 298) = ( 0.4047619 -0.1932259 0.1571282), wk = 0.0030120 k( 299) = ( 0.3928571 -0.1875428 0.1525068), wk = 0.0030120 k( 300) = ( 0.3809524 -0.1818597 0.1478854), wk = 0.0030120 k( 301) = ( 0.3690476 -0.1761766 0.1432639), wk = 0.0030120 k( 302) = ( 0.3571429 -0.1704935 0.1386425), wk = 0.0030120 k( 303) = ( 0.3452381 -0.1648103 0.1340211), wk = 0.0030120 k( 304) = ( 0.3333333 -0.1591272 0.1293997), wk = 0.0030120 k( 305) = ( 0.3214286 -0.1534441 0.1247783), wk = 0.0030120 k( 306) = ( 0.3095238 -0.1477610 0.1201569), wk = 0.0030120 k( 307) = ( 0.2976190 -0.1420779 0.1155354), wk = 0.0030120 k( 308) = ( 0.2857143 -0.1363948 0.1109140), wk = 0.0030120 k( 309) = ( 0.2738095 -0.1307116 0.1062926), wk = 0.0030120 k( 310) = ( 0.2619048 -0.1250285 0.1016712), wk = 0.0030120 k( 311) = ( 0.2500000 -0.1193454 0.0970498), wk = 0.0030120 k( 312) = ( 0.2380952 -0.1136623 0.0924283), wk = 0.0030120 k( 313) = ( 0.2261905 -0.1079792 0.0878069), wk = 0.0030120 k( 314) = ( 0.2142857 -0.1022961 0.0831855), wk = 0.0030120 k( 315) = ( 0.2023810 -0.0966130 0.0785641), wk = 0.0030120 k( 316) = ( 0.1904762 -0.0909298 0.0739427), wk = 0.0030120 k( 317) = ( 0.1785714 -0.0852467 0.0693213), wk = 0.0030120 k( 318) = ( 0.1666667 -0.0795636 0.0646998), wk = 0.0030120 k( 319) = ( 0.1547619 -0.0738805 0.0600784), wk = 0.0030120 k( 320) = ( 0.1428571 -0.0681974 0.0554570), wk = 0.0030120 k( 321) = ( 0.1309524 -0.0625143 0.0508356), wk = 0.0030120 k( 322) = ( 0.1190476 -0.0568312 0.0462142), wk = 0.0030120 k( 323) = ( 0.1071429 -0.0511480 0.0415928), wk = 0.0030120 k( 324) = ( 0.0952381 -0.0454649 0.0369713), wk = 0.0030120 k( 325) = ( 0.0833333 -0.0397818 0.0323499), wk = 0.0030120 k( 326) = ( 0.0714286 -0.0340987 0.0277285), wk = 0.0030120 k( 327) = ( 0.0595238 -0.0284156 0.0231071), wk = 0.0030120 k( 328) = ( 0.0476191 -0.0227325 0.0184857), wk = 0.0030120 k( 329) = ( 0.0357143 -0.0170493 0.0138643), wk = 0.0030120 k( 330) = ( 0.0238095 -0.0113662 0.0092428), wk = 0.0030120 k( 331) = ( 0.0119048 -0.0056831 0.0046214), wk = 0.0030120 k( 332) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0030120 k( 4) = ( 0.0340909 0.0340909 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0030120 k( 6) = ( 0.0568182 0.0568182 0.0000000), wk = 0.0030120 k( 7) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0795455 0.0795454 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0030120 k( 10) = ( 0.1022727 0.1022727 0.0000000), wk = 0.0030120 k( 11) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0030120 k( 12) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030120 k( 13) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1477273 0.1477273 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0030120 k( 16) = ( 0.1704546 0.1704545 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0030120 k( 18) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0030120 k( 19) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2386364 0.2386364 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030120 k( 24) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0030120 k( 26) = ( 0.2840909 0.2840909 -0.0000000), wk = 0.0030120 k( 27) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3068182 0.3068182 -0.0000000), wk = 0.0030120 k( 29) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0030120 k( 30) = ( 0.3295455 0.3295454 -0.0000000), wk = 0.0030120 k( 31) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0030120 k( 33) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0030120 k( 34) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030120 k( 35) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0030120 k( 36) = ( 0.3977273 0.3977273 0.0000000), wk = 0.0030120 k( 37) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0030120 k( 38) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0030120 k( 44) = ( 0.4886364 0.4886364 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 46) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 47) = ( 0.5033669 0.5033669 0.0237542), wk = 0.0030120 k( 48) = ( 0.5067338 0.5067338 0.0475084), wk = 0.0030120 k( 49) = ( 0.5101007 0.5101007 0.0712626), wk = 0.0030120 k( 50) = ( 0.5134675 0.5134675 0.0950168), wk = 0.0030120 k( 51) = ( 0.5168344 0.5168344 0.1187710), wk = 0.0030120 k( 52) = ( 0.5202013 0.5202013 0.1425252), wk = 0.0030120 k( 53) = ( 0.5235682 0.5235682 0.1662794), wk = 0.0030120 k( 54) = ( 0.5269351 0.5269351 0.1900336), wk = 0.0030120 k( 55) = ( 0.5269351 0.5269351 0.1900336), wk = 0.0030120 k( 56) = ( 0.5250111 0.5250111 0.2121740), wk = 0.0030120 k( 57) = ( 0.5230872 0.5230872 0.2343145), wk = 0.0030120 k( 58) = ( 0.5211633 0.5211633 0.2564550), wk = 0.0030120 k( 59) = ( 0.5192393 0.5192393 0.2785954), wk = 0.0030120 k( 60) = ( 0.5173154 0.5173154 0.3007359), wk = 0.0030120 k( 61) = ( 0.5153915 0.5153915 0.3228763), wk = 0.0030120 k( 62) = ( 0.5134675 0.5134675 0.3450168), wk = 0.0030120 k( 63) = ( 0.5115436 0.5115436 0.3671572), wk = 0.0030120 k( 64) = ( 0.5096197 0.5096197 0.3892977), wk = 0.0030120 k( 65) = ( 0.5076957 0.5076957 0.4114382), wk = 0.0030120 k( 66) = ( 0.5057718 0.5057718 0.4335786), wk = 0.0030120 k( 67) = ( 0.5038479 0.5038479 0.4557191), wk = 0.0030120 k( 68) = ( 0.5019239 0.5019239 0.4778595), wk = 0.0030120 k( 69) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 70) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 71) = ( 0.5074541 0.4925459 0.5000000), wk = 0.0030120 k( 72) = ( 0.5149082 0.4850918 0.5000000), wk = 0.0030120 k( 73) = ( 0.5223623 0.4776377 0.5000000), wk = 0.0030120 k( 74) = ( 0.5298164 0.4701836 0.5000000), wk = 0.0030120 k( 75) = ( 0.5372705 0.4627295 0.5000000), wk = 0.0030120 k( 76) = ( 0.5447246 0.4552754 0.5000000), wk = 0.0030120 k( 77) = ( 0.5521787 0.4478213 0.5000000), wk = 0.0030120 k( 78) = ( 0.5596328 0.4403671 0.5000000), wk = 0.0030120 k( 79) = ( 0.5670869 0.4329130 0.5000000), wk = 0.0030120 k( 80) = ( 0.5745411 0.4254589 0.5000000), wk = 0.0030120 k( 81) = ( 0.5819952 0.4180048 0.5000000), wk = 0.0030120 k( 82) = ( 0.5894493 0.4105507 0.5000000), wk = 0.0030120 k( 83) = ( 0.5969034 0.4030966 0.5000000), wk = 0.0030120 k( 84) = ( 0.6043575 0.3956425 0.5000000), wk = 0.0030120 k( 85) = ( 0.6118116 0.3881884 0.5000000), wk = 0.0030120 k( 86) = ( 0.6192657 0.3807343 0.5000000), wk = 0.0030120 k( 87) = ( 0.6267198 0.3732802 0.5000000), wk = 0.0030120 k( 88) = ( 0.6341739 0.3658261 0.5000000), wk = 0.0030120 k( 89) = ( 0.6416280 0.3583720 0.5000000), wk = 0.0030120 k( 90) = ( 0.6490821 0.3509179 0.5000000), wk = 0.0030120 k( 91) = ( 0.6565362 0.3434638 0.5000000), wk = 0.0030120 k( 92) = ( 0.6639903 0.3360097 0.5000000), wk = 0.0030120 k( 93) = ( 0.6714444 0.3285556 0.5000000), wk = 0.0030120 k( 94) = ( 0.3285556 -0.3285556 0.5000000), wk = 0.0030120 k( 95) = ( 0.3210884 -0.3210884 0.5000000), wk = 0.0030120 k( 96) = ( 0.3136212 -0.3136212 0.5000000), wk = 0.0030120 k( 97) = ( 0.3061541 -0.3061540 0.5000000), wk = 0.0030120 k( 98) = ( 0.2986869 -0.2986869 0.5000000), wk = 0.0030120 k( 99) = ( 0.2912197 -0.2912197 0.5000000), wk = 0.0030120 k( 100) = ( 0.2837525 -0.2837525 0.5000000), wk = 0.0030120 k( 101) = ( 0.2762854 -0.2762854 0.5000000), wk = 0.0030120 k( 102) = ( 0.2688182 -0.2688182 0.5000000), wk = 0.0030120 k( 103) = ( 0.2613510 -0.2613510 0.5000000), wk = 0.0030120 k( 104) = ( 0.2538839 -0.2538839 0.5000000), wk = 0.0030120 k( 105) = ( 0.2464167 -0.2464167 0.5000000), wk = 0.0030120 k( 106) = ( 0.2389495 -0.2389495 0.5000000), wk = 0.0030120 k( 107) = ( 0.2314823 -0.2314823 0.5000000), wk = 0.0030120 k( 108) = ( 0.2240152 -0.2240152 0.5000000), wk = 0.0030120 k( 109) = ( 0.2165480 -0.2165480 0.5000000), wk = 0.0030120 k( 110) = ( 0.2090808 -0.2090808 0.5000000), wk = 0.0030120 k( 111) = ( 0.2016136 -0.2016136 0.5000000), wk = 0.0030120 k( 112) = ( 0.1941465 -0.1941465 0.5000000), wk = 0.0030120 k( 113) = ( 0.1866793 -0.1866793 0.5000000), wk = 0.0030120 k( 114) = ( 0.1792121 -0.1792121 0.5000000), wk = 0.0030120 k( 115) = ( 0.1717450 -0.1717449 0.5000000), wk = 0.0030120 k( 116) = ( 0.1642778 -0.1642778 0.5000000), wk = 0.0030120 k( 117) = ( 0.1568106 -0.1568106 0.5000000), wk = 0.0030120 k( 118) = ( 0.1493434 -0.1493434 0.5000000), wk = 0.0030120 k( 119) = ( 0.1418763 -0.1418763 0.5000000), wk = 0.0030120 k( 120) = ( 0.1344091 -0.1344091 0.5000000), wk = 0.0030120 k( 121) = ( 0.1269419 -0.1269419 0.5000000), wk = 0.0030120 k( 122) = ( 0.1194748 -0.1194747 0.5000000), wk = 0.0030120 k( 123) = ( 0.1120076 -0.1120076 0.5000000), wk = 0.0030120 k( 124) = ( 0.1045404 -0.1045404 0.5000000), wk = 0.0030120 k( 125) = ( 0.0970732 -0.0970732 0.5000000), wk = 0.0030120 k( 126) = ( 0.0896061 -0.0896061 0.5000000), wk = 0.0030120 k( 127) = ( 0.0821389 -0.0821389 0.5000000), wk = 0.0030120 k( 128) = ( 0.0746717 -0.0746717 0.5000000), wk = 0.0030120 k( 129) = ( 0.0672046 -0.0672046 0.5000000), wk = 0.0030120 k( 130) = ( 0.0597374 -0.0597374 0.5000000), wk = 0.0030120 k( 131) = ( 0.0522702 -0.0522702 0.5000000), wk = 0.0030120 k( 132) = ( 0.0448030 -0.0448030 0.5000000), wk = 0.0030120 k( 133) = ( 0.0373359 -0.0373359 0.5000000), wk = 0.0030120 k( 134) = ( 0.0298687 -0.0298687 0.5000000), wk = 0.0030120 k( 135) = ( 0.0224015 -0.0224015 0.5000000), wk = 0.0030120 k( 136) = ( 0.0149343 -0.0149343 0.5000000), wk = 0.0030120 k( 137) = ( 0.0074672 -0.0074672 0.5000000), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 140) = ( 0.0118266 0.0118266 0.5077492), wk = 0.0030120 k( 141) = ( 0.0236533 0.0236532 0.5154983), wk = 0.0030120 k( 142) = ( 0.0354799 0.0354799 0.5232475), wk = 0.0030120 k( 143) = ( 0.0473065 0.0473065 0.5309966), wk = 0.0030120 k( 144) = ( 0.0591331 0.0591331 0.5387458), wk = 0.0030120 k( 145) = ( 0.0709597 0.0709597 0.5464950), wk = 0.0030120 k( 146) = ( 0.0827864 0.0827864 0.5542441), wk = 0.0030120 k( 147) = ( 0.0946130 0.0946130 0.5619933), wk = 0.0030120 k( 148) = ( 0.1064396 0.1064396 0.5697424), wk = 0.0030120 k( 149) = ( 0.1182662 0.1182662 0.5774916), wk = 0.0030120 k( 150) = ( 0.1300929 0.1300929 0.5852408), wk = 0.0030120 k( 151) = ( 0.1419195 0.1419195 0.5929899), wk = 0.0030120 k( 152) = ( 0.1537461 0.1537461 0.6007391), wk = 0.0030120 k( 153) = ( 0.1655727 0.1655727 0.6084882), wk = 0.0030120 k( 154) = ( 0.1773994 0.1773993 0.6162374), wk = 0.0030120 k( 155) = ( 0.1892260 0.1892260 0.6239866), wk = 0.0030120 k( 156) = ( 0.2010526 0.2010526 0.6317357), wk = 0.0030120 k( 157) = ( 0.2128792 0.2128792 0.6394849), wk = 0.0030120 k( 158) = ( 0.2247058 0.2247058 0.6472340), wk = 0.0030120 k( 159) = ( 0.2365325 0.2365325 0.6549832), wk = 0.0030120 k( 160) = ( 0.2483591 0.2483591 0.6627324), wk = 0.0030120 k( 161) = ( 0.2601857 0.2601857 0.6704815), wk = 0.0030120 k( 162) = ( 0.2720123 0.2720123 0.6782307), wk = 0.0030120 k( 163) = ( 0.2838390 0.2838390 0.6859798), wk = 0.0030120 k( 164) = ( 0.2956656 0.2956656 0.6937290), wk = 0.0030120 k( 165) = ( 0.3074922 0.3074922 0.7014782), wk = 0.0030120 k( 166) = ( 0.3193188 0.3193188 0.7092273), wk = 0.0030120 k( 167) = ( 0.3311455 0.3311455 0.7169765), wk = 0.0030120 k( 168) = ( 0.3429721 0.3429721 0.7247256), wk = 0.0030120 k( 169) = ( 0.3547987 0.3547987 0.7324748), wk = 0.0030120 k( 170) = ( 0.3666253 0.3666253 0.7402240), wk = 0.0030120 k( 171) = ( 0.3784519 0.3784519 0.7479731), wk = 0.0030120 k( 172) = ( 0.3902786 0.3902786 0.7557223), wk = 0.0030120 k( 173) = ( 0.4021052 0.4021052 0.7634715), wk = 0.0030120 k( 174) = ( 0.4139318 0.4139318 0.7712206), wk = 0.0030120 k( 175) = ( 0.4257584 0.4257584 0.7789698), wk = 0.0030120 k( 176) = ( 0.4375851 0.4375851 0.7867189), wk = 0.0030120 k( 177) = ( 0.4494117 0.4494117 0.7944681), wk = 0.0030120 k( 178) = ( 0.4612383 0.4612383 0.8022172), wk = 0.0030120 k( 179) = ( 0.4730649 0.4730649 0.8099664), wk = 0.0030120 k( 180) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 181) = ( 0.5073877 0.4926123 -0.0000000), wk = 0.0030120 k( 182) = ( 0.5147753 0.4852247 -0.0000000), wk = 0.0030120 k( 183) = ( 0.5221630 0.4778370 -0.0000000), wk = 0.0030120 k( 184) = ( 0.5295507 0.4704493 -0.0000000), wk = 0.0030120 k( 185) = ( 0.5369383 0.4630617 -0.0000000), wk = 0.0030120 k( 186) = ( 0.5443260 0.4556740 0.0000000), wk = 0.0030120 k( 187) = ( 0.5517137 0.4482863 0.0000000), wk = 0.0030120 k( 188) = ( 0.5591013 0.4408987 0.0000000), wk = 0.0030120 k( 189) = ( 0.5664890 0.4335110 0.0000000), wk = 0.0030120 k( 190) = ( 0.5738766 0.4261234 0.0000000), wk = 0.0030120 k( 191) = ( 0.5812643 0.4187357 0.0000000), wk = 0.0030120 k( 192) = ( 0.5886520 0.4113480 0.0000000), wk = 0.0030120 k( 193) = ( 0.5960396 0.4039604 -0.0000000), wk = 0.0030120 k( 194) = ( 0.6034273 0.3965727 0.0000000), wk = 0.0030120 k( 195) = ( 0.6108150 0.3891850 -0.0000000), wk = 0.0030120 k( 196) = ( 0.6182026 0.3817974 0.0000000), wk = 0.0030120 k( 197) = ( 0.6255903 0.3744097 -0.0000000), wk = 0.0030120 k( 198) = ( 0.6329780 0.3670220 -0.0000000), wk = 0.0030120 k( 199) = ( 0.6403656 0.3596344 -0.0000000), wk = 0.0030120 k( 200) = ( 0.3596344 -0.3596344 0.0000000), wk = 0.0030120 k( 201) = ( 0.3521420 -0.3521420 0.0000000), wk = 0.0030120 k( 202) = ( 0.3446496 -0.3446496 0.0000000), wk = 0.0030120 k( 203) = ( 0.3371572 -0.3371572 0.0000000), wk = 0.0030120 k( 204) = ( 0.3296649 -0.3296648 0.0000000), wk = 0.0030120 k( 205) = ( 0.3221725 -0.3221725 0.0000000), wk = 0.0030120 k( 206) = ( 0.3146801 -0.3146801 0.0000000), wk = 0.0030120 k( 207) = ( 0.3071877 -0.3071877 0.0000000), wk = 0.0030120 k( 208) = ( 0.2996953 -0.2996953 0.0000000), wk = 0.0030120 k( 209) = ( 0.2922029 -0.2922029 0.0000000), wk = 0.0030120 k( 210) = ( 0.2847106 -0.2847106 0.0000000), wk = 0.0030120 k( 211) = ( 0.2772182 -0.2772182 0.0000000), wk = 0.0030120 k( 212) = ( 0.2697258 -0.2697258 0.0000000), wk = 0.0030120 k( 213) = ( 0.2622334 -0.2622334 -0.0000000), wk = 0.0030120 k( 214) = ( 0.2547410 -0.2547410 0.0000000), wk = 0.0030120 k( 215) = ( 0.2472486 -0.2472486 0.0000000), wk = 0.0030120 k( 216) = ( 0.2397563 -0.2397563 -0.0000000), wk = 0.0030120 k( 217) = ( 0.2322639 -0.2322639 0.0000000), wk = 0.0030120 k( 218) = ( 0.2247715 -0.2247715 -0.0000000), wk = 0.0030120 k( 219) = ( 0.2172791 -0.2172791 0.0000000), wk = 0.0030120 k( 220) = ( 0.2097867 -0.2097867 0.0000000), wk = 0.0030120 k( 221) = ( 0.2022943 -0.2022943 0.0000000), wk = 0.0030120 k( 222) = ( 0.1948020 -0.1948019 0.0000000), wk = 0.0030120 k( 223) = ( 0.1873096 -0.1873096 0.0000000), wk = 0.0030120 k( 224) = ( 0.1798172 -0.1798172 0.0000000), wk = 0.0030120 k( 225) = ( 0.1723248 -0.1723248 0.0000000), wk = 0.0030120 k( 226) = ( 0.1648324 -0.1648324 0.0000000), wk = 0.0030120 k( 227) = ( 0.1573400 -0.1573400 0.0000000), wk = 0.0030120 k( 228) = ( 0.1498477 -0.1498477 0.0000000), wk = 0.0030120 k( 229) = ( 0.1423553 -0.1423553 0.0000000), wk = 0.0030120 k( 230) = ( 0.1348629 -0.1348629 0.0000000), wk = 0.0030120 k( 231) = ( 0.1273705 -0.1273705 0.0000000), wk = 0.0030120 k( 232) = ( 0.1198781 -0.1198781 0.0000000), wk = 0.0030120 k( 233) = ( 0.1123857 -0.1123857 0.0000000), wk = 0.0030120 k( 234) = ( 0.1048934 -0.1048934 0.0000000), wk = 0.0030120 k( 235) = ( 0.0974010 -0.0974010 0.0000000), wk = 0.0030120 k( 236) = ( 0.0899086 -0.0899086 0.0000000), wk = 0.0030120 k( 237) = ( 0.0824162 -0.0824162 0.0000000), wk = 0.0030120 k( 238) = ( 0.0749238 -0.0749238 0.0000000), wk = 0.0030120 k( 239) = ( 0.0674315 -0.0674315 0.0000000), wk = 0.0030120 k( 240) = ( 0.0599391 -0.0599391 0.0000000), wk = 0.0030120 k( 241) = ( 0.0524467 -0.0524467 0.0000000), wk = 0.0030120 k( 242) = ( 0.0449543 -0.0449543 0.0000000), wk = 0.0030120 k( 243) = ( 0.0374619 -0.0374619 0.0000000), wk = 0.0030120 k( 244) = ( 0.0299695 -0.0299695 0.0000000), wk = 0.0030120 k( 245) = ( 0.0224772 -0.0224772 0.0000000), wk = 0.0030120 k( 246) = ( 0.0149848 -0.0149848 0.0000000), wk = 0.0030120 k( 247) = ( 0.0074924 -0.0074924 0.0000000), wk = 0.0030120 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 250) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0030120 k( 251) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0030120 k( 252) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0030120 k( 253) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030120 k( 254) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030120 k( 255) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0030120 k( 256) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030120 k( 257) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 258) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0030120 k( 259) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030120 k( 260) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030120 k( 261) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030120 k( 262) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0030120 k( 263) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030120 k( 264) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030120 k( 265) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 266) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0030120 k( 267) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0030120 k( 268) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0030120 k( 269) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030120 k( 270) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0030120 k( 271) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030120 k( 272) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0030120 k( 273) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030120 k( 274) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0030120 k( 275) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0030120 k( 276) = ( 0.3375000 -0.0000000 0.0000000), wk = 0.0030120 k( 277) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030120 k( 278) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0030120 k( 279) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030120 k( 280) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0030120 k( 281) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 282) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0030120 k( 283) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0030120 k( 284) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0030120 k( 285) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0030120 k( 286) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030120 k( 287) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0030120 k( 288) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0030120 k( 289) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030120 k( 290) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 291) = ( 0.4880952 -0.0000000 0.4880952), wk = 0.0030120 k( 292) = ( 0.4761905 0.0000000 0.4761905), wk = 0.0030120 k( 293) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0030120 k( 294) = ( 0.4523810 -0.0000000 0.4523809), wk = 0.0030120 k( 295) = ( 0.4404762 0.0000000 0.4404762), wk = 0.0030120 k( 296) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030120 k( 297) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0030120 k( 298) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0030120 k( 299) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0030120 k( 300) = ( 0.3809524 -0.0000000 0.3809524), wk = 0.0030120 k( 301) = ( 0.3690476 -0.0000000 0.3690476), wk = 0.0030120 k( 302) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030120 k( 303) = ( 0.3452381 -0.0000000 0.3452381), wk = 0.0030120 k( 304) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0030120 k( 305) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0030120 k( 306) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0030120 k( 307) = ( 0.2976190 0.0000000 0.2976190), wk = 0.0030120 k( 308) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030120 k( 309) = ( 0.2738095 0.0000000 0.2738095), wk = 0.0030120 k( 310) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0030120 k( 311) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030120 k( 312) = ( 0.2380952 0.0000000 0.2380952), wk = 0.0030120 k( 313) = ( 0.2261905 -0.0000000 0.2261905), wk = 0.0030120 k( 314) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030120 k( 315) = ( 0.2023810 -0.0000000 0.2023809), wk = 0.0030120 k( 316) = ( 0.1904762 -0.0000000 0.1904762), wk = 0.0030120 k( 317) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0030120 k( 318) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0030120 k( 319) = ( 0.1547619 0.0000000 0.1547619), wk = 0.0030120 k( 320) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030120 k( 321) = ( 0.1309524 0.0000000 0.1309524), wk = 0.0030120 k( 322) = ( 0.1190476 0.0000000 0.1190476), wk = 0.0030120 k( 323) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0030120 k( 324) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0030120 k( 325) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0030120 k( 326) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030120 k( 327) = ( 0.0595238 0.0000000 0.0595238), wk = 0.0030120 k( 328) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0030120 k( 329) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0030120 k( 330) = ( 0.0238095 -0.0000000 0.0238095), wk = 0.0030120 k( 331) = ( 0.0119048 -0.0000000 0.0119048), wk = 0.0030120 k( 332) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 Dense grid: 92563 G-vectors FFT dimensions: ( 50, 50, 90) Smooth grid: 32855 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 236, 44) NL pseudopotentials 0.23 Mb ( 118, 126) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 2572) G-vector shells 0.02 Mb ( 2452) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 236, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 126, 2, 44) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BaC2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.8 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.2 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.2 secs Computing kpt #: 29 total cpu time spent up to now is 13.6 secs Computing kpt #: 30 total cpu time spent up to now is 13.9 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.0 secs Computing kpt #: 34 total cpu time spent up to now is 15.4 secs Computing kpt #: 35 total cpu time spent up to now is 15.8 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.5 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.1 secs Computing kpt #: 42 total cpu time spent up to now is 18.5 secs Computing kpt #: 43 total cpu time spent up to now is 18.9 secs Computing kpt #: 44 total cpu time spent up to now is 19.3 secs Computing kpt #: 45 total cpu time spent up to now is 19.7 secs Computing kpt #: 46 total cpu time spent up to now is 20.1 secs Computing kpt #: 47 total cpu time spent up to now is 20.5 secs Computing kpt #: 48 total cpu time spent up to now is 20.9 secs Computing kpt #: 49 total cpu time spent up to now is 21.3 secs Computing kpt #: 50 total cpu time spent up to now is 21.8 secs Computing kpt #: 51 total cpu time spent up to now is 22.2 secs Computing kpt #: 52 total cpu time spent up to now is 22.6 secs Computing kpt #: 53 total cpu time spent up to now is 23.0 secs Computing kpt #: 54 total cpu time spent up to now is 23.4 secs Computing kpt #: 55 total cpu time spent up to now is 23.8 secs Computing kpt #: 56 total cpu time spent up to now is 24.2 secs Computing kpt #: 57 total cpu time spent up to now is 24.6 secs Computing kpt #: 58 total cpu time spent up to now is 25.0 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.8 secs Computing kpt #: 61 total cpu time spent up to now is 26.2 secs Computing kpt #: 62 total cpu time spent up to now is 26.6 secs Computing kpt #: 63 total cpu time spent up to now is 27.0 secs Computing kpt #: 64 total cpu time spent up to now is 27.4 secs Computing kpt #: 65 total cpu time spent up to now is 27.8 secs Computing kpt #: 66 total cpu time spent up to now is 28.2 secs Computing kpt #: 67 total cpu time spent up to now is 28.6 secs Computing kpt #: 68 total cpu time spent up to now is 28.9 secs Computing kpt #: 69 total cpu time spent up to now is 29.3 secs Computing kpt #: 70 total cpu time spent up to now is 29.7 secs Computing kpt #: 71 total cpu time spent up to now is 30.0 secs Computing kpt #: 72 total cpu time spent up to now is 30.4 secs Computing kpt #: 73 total cpu time spent up to now is 30.7 secs Computing kpt #: 74 total cpu time spent up to now is 31.1 secs Computing kpt #: 75 total cpu time spent up to now is 31.5 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.6 secs Computing kpt #: 79 total cpu time spent up to now is 32.9 secs Computing kpt #: 80 total cpu time spent up to now is 33.2 secs Computing kpt #: 81 total cpu time spent up to now is 33.6 secs Computing kpt #: 82 total cpu time spent up to now is 33.9 secs Computing kpt #: 83 total cpu time spent up to now is 34.3 secs Computing kpt #: 84 total cpu time spent up to now is 34.6 secs Computing kpt #: 85 total cpu time spent up to now is 34.9 secs Computing kpt #: 86 total cpu time spent up to now is 35.3 secs Computing kpt #: 87 total cpu time spent up to now is 35.6 secs Computing kpt #: 88 total cpu time spent up to now is 35.9 secs Computing kpt #: 89 total cpu time spent up to now is 36.2 secs Computing kpt #: 90 total cpu time spent up to now is 36.6 secs Computing kpt #: 91 total cpu time spent up to now is 36.9 secs Computing kpt #: 92 total cpu time spent up to now is 37.2 secs Computing kpt #: 93 total cpu time spent up to now is 37.6 secs Computing kpt #: 94 total cpu time spent up to now is 37.9 secs Computing kpt #: 95 total cpu time spent up to now is 38.2 secs Computing kpt #: 96 total cpu time spent up to now is 38.6 secs Computing kpt #: 97 total cpu time spent up to now is 38.9 secs Computing kpt #: 98 total cpu time spent up to now is 39.3 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 40.0 secs Computing kpt #: 101 total cpu time spent up to now is 40.4 secs Computing kpt #: 102 total cpu time spent up to now is 40.7 secs Computing kpt #: 103 total cpu time spent up to now is 41.1 secs Computing kpt #: 104 total cpu time spent up to now is 41.5 secs Computing kpt #: 105 total cpu time spent up to now is 42.0 secs Computing kpt #: 106 total cpu time spent up to now is 42.4 secs Computing kpt #: 107 total cpu time spent up to now is 42.8 secs Computing kpt #: 108 total cpu time spent up to now is 43.2 secs Computing kpt #: 109 total cpu time spent up to now is 43.5 secs Computing kpt #: 110 total cpu time spent up to now is 43.9 secs Computing kpt #: 111 total cpu time spent up to now is 44.3 secs Computing kpt #: 112 total cpu time spent up to now is 44.6 secs Computing kpt #: 113 total cpu time spent up to now is 45.0 secs Computing kpt #: 114 total cpu time spent up to now is 45.3 secs Computing kpt #: 115 total cpu time spent up to now is 45.7 secs Computing kpt #: 116 total cpu time spent up to now is 46.0 secs Computing kpt #: 117 total cpu time spent up to now is 46.4 secs Computing kpt #: 118 total cpu time spent up to now is 46.7 secs Computing kpt #: 119 total cpu time spent up to now is 47.1 secs Computing kpt #: 120 total cpu time spent up to now is 47.4 secs Computing kpt #: 121 total cpu time spent up to now is 47.7 secs Computing kpt #: 122 total cpu time spent up to now is 48.1 secs Computing kpt #: 123 total cpu time spent up to now is 48.4 secs Computing kpt #: 124 total cpu time spent up to now is 48.8 secs Computing kpt #: 125 total cpu time spent up to now is 49.1 secs Computing kpt #: 126 total cpu time spent up to now is 49.4 secs Computing kpt #: 127 total cpu time spent up to now is 49.8 secs Computing kpt #: 128 total cpu time spent up to now is 50.1 secs Computing kpt #: 129 total cpu time spent up to now is 50.5 secs Computing kpt #: 130 total cpu time spent up to now is 50.8 secs Computing kpt #: 131 total cpu time spent up to now is 51.1 secs Computing kpt #: 132 total cpu time spent up to now is 51.5 secs Computing kpt #: 133 total cpu time spent up to now is 51.8 secs Computing kpt #: 134 total cpu time spent up to now is 52.2 secs Computing kpt #: 135 total cpu time spent up to now is 52.5 secs Computing kpt #: 136 total cpu time spent up to now is 52.8 secs Computing kpt #: 137 total cpu time spent up to now is 53.2 secs Computing kpt #: 138 total cpu time spent up to now is 53.5 secs Computing kpt #: 139 total cpu time spent up to now is 53.9 secs Computing kpt #: 140 total cpu time spent up to now is 54.2 secs Computing kpt #: 141 total cpu time spent up to now is 54.5 secs Computing kpt #: 142 total cpu time spent up to now is 54.9 secs Computing kpt #: 143 total cpu time spent up to now is 55.2 secs Computing kpt #: 144 total cpu time spent up to now is 55.6 secs Computing kpt #: 145 total cpu time spent up to now is 55.9 secs Computing kpt #: 146 total cpu time spent up to now is 56.2 secs Computing kpt #: 147 total cpu time spent up to now is 56.6 secs Computing kpt #: 148 total cpu time spent up to now is 56.9 secs Computing kpt #: 149 total cpu time spent up to now is 57.3 secs Computing kpt #: 150 total cpu time spent up to now is 57.6 secs Computing kpt #: 151 total cpu time spent up to now is 58.0 secs Computing kpt #: 152 total cpu time spent up to now is 58.3 secs Computing kpt #: 153 total cpu time spent up to now is 58.7 secs Computing kpt #: 154 total cpu time spent up to now is 59.0 secs Computing kpt #: 155 total cpu time spent up to now is 59.4 secs Computing kpt #: 156 total cpu time spent up to now is 59.7 secs Computing kpt #: 157 total cpu time spent up to now is 60.1 secs Computing kpt #: 158 total cpu time spent up to now is 60.4 secs Computing kpt #: 159 total cpu time spent up to now is 60.8 secs Computing kpt #: 160 total cpu time spent up to now is 61.1 secs Computing kpt #: 161 total cpu time spent up to now is 61.5 secs Computing kpt #: 162 total cpu time spent up to now is 61.8 secs Computing kpt #: 163 total cpu time spent up to now is 62.2 secs Computing kpt #: 164 total cpu time spent up to now is 62.5 secs Computing kpt #: 165 total cpu time spent up to now is 62.9 secs Computing kpt #: 166 total cpu time spent up to now is 63.3 secs Computing kpt #: 167 total cpu time spent up to now is 63.6 secs Computing kpt #: 168 total cpu time spent up to now is 64.0 secs Computing kpt #: 169 total cpu time spent up to now is 64.4 secs Computing kpt #: 170 total cpu time spent up to now is 64.8 secs Computing kpt #: 171 total cpu time spent up to now is 65.1 secs Computing kpt #: 172 total cpu time spent up to now is 65.5 secs Computing kpt #: 173 total cpu time spent up to now is 65.9 secs Computing kpt #: 174 total cpu time spent up to now is 66.3 secs Computing kpt #: 175 total cpu time spent up to now is 66.7 secs Computing kpt #: 176 total cpu time spent up to now is 67.1 secs Computing kpt #: 177 total cpu time spent up to now is 67.5 secs Computing kpt #: 178 total cpu time spent up to now is 67.9 secs Computing kpt #: 179 total cpu time spent up to now is 68.3 secs Computing kpt #: 180 total cpu time spent up to now is 68.7 secs Computing kpt #: 181 total cpu time spent up to now is 69.2 secs Computing kpt #: 182 total cpu time spent up to now is 69.6 secs Computing kpt #: 183 total cpu time spent up to now is 70.0 secs Computing kpt #: 184 total cpu time spent up to now is 70.4 secs Computing kpt #: 185 total cpu time spent up to now is 70.7 secs Computing kpt #: 186 total cpu time spent up to now is 71.1 secs Computing kpt #: 187 total cpu time spent up to now is 71.4 secs Computing kpt #: 188 total cpu time spent up to now is 71.8 secs Computing kpt #: 189 total cpu time spent up to now is 72.2 secs Computing kpt #: 190 total cpu time spent up to now is 72.6 secs Computing kpt #: 191 total cpu time spent up to now is 72.9 secs Computing kpt #: 192 total cpu time spent up to now is 73.3 secs Computing kpt #: 193 total cpu time spent up to now is 73.6 secs Computing kpt #: 194 total cpu time spent up to now is 74.0 secs Computing kpt #: 195 total cpu time spent up to now is 74.3 secs Computing kpt #: 196 total cpu time spent up to now is 74.7 secs Computing kpt #: 197 total cpu time spent up to now is 75.0 secs Computing kpt #: 198 total cpu time spent up to now is 75.4 secs Computing kpt #: 199 total cpu time spent up to now is 75.7 secs Computing kpt #: 200 total cpu time spent up to now is 76.1 secs Computing kpt #: 201 total cpu time spent up to now is 76.4 secs Computing kpt #: 202 total cpu time spent up to now is 76.8 secs Computing kpt #: 203 total cpu time spent up to now is 77.1 secs Computing kpt #: 204 total cpu time spent up to now is 77.4 secs Computing kpt #: 205 total cpu time spent up to now is 77.8 secs Computing kpt #: 206 total cpu time spent up to now is 78.1 secs Computing kpt #: 207 total cpu time spent up to now is 78.4 secs Computing kpt #: 208 total cpu time spent up to now is 78.8 secs Computing kpt #: 209 total cpu time spent up to now is 79.1 secs Computing kpt #: 210 total cpu time spent up to now is 79.4 secs Computing kpt #: 211 total cpu time spent up to now is 79.8 secs Computing kpt #: 212 total cpu time spent up to now is 80.1 secs Computing kpt #: 213 total cpu time spent up to now is 80.5 secs Computing kpt #: 214 total cpu time spent up to now is 80.8 secs Computing kpt #: 215 total cpu time spent up to now is 81.2 secs Computing kpt #: 216 total cpu time spent up to now is 81.5 secs Computing kpt #: 217 total cpu time spent up to now is 81.9 secs Computing kpt #: 218 total cpu time spent up to now is 82.2 secs Computing kpt #: 219 total cpu time spent up to now is 82.5 secs Computing kpt #: 220 total cpu time spent up to now is 82.9 secs Computing kpt #: 221 total cpu time spent up to now is 83.2 secs Computing kpt #: 222 total cpu time spent up to now is 83.6 secs Computing kpt #: 223 total cpu time spent up to now is 83.9 secs Computing kpt #: 224 total cpu time spent up to now is 84.3 secs Computing kpt #: 225 total cpu time spent up to now is 84.6 secs Computing kpt #: 226 total cpu time spent up to now is 84.9 secs Computing kpt #: 227 total cpu time spent up to now is 85.3 secs Computing kpt #: 228 total cpu time spent up to now is 85.6 secs Computing kpt #: 229 total cpu time spent up to now is 86.0 secs Computing kpt #: 230 total cpu time spent up to now is 86.4 secs Computing kpt #: 231 total cpu time spent up to now is 86.7 secs Computing kpt #: 232 total cpu time spent up to now is 87.1 secs Computing kpt #: 233 total cpu time spent up to now is 87.5 secs Computing kpt #: 234 total cpu time spent up to now is 87.8 secs Computing kpt #: 235 total cpu time spent up to now is 88.2 secs Computing kpt #: 236 total cpu time spent up to now is 88.6 secs Computing kpt #: 237 total cpu time spent up to now is 89.0 secs Computing kpt #: 238 total cpu time spent up to now is 89.3 secs Computing kpt #: 239 total cpu time spent up to now is 89.7 secs Computing kpt #: 240 total cpu time spent up to now is 90.1 secs Computing kpt #: 241 total cpu time spent up to now is 90.4 secs Computing kpt #: 242 total cpu time spent up to now is 90.8 secs Computing kpt #: 243 total cpu time spent up to now is 91.1 secs Computing kpt #: 244 total cpu time spent up to now is 91.5 secs Computing kpt #: 245 total cpu time spent up to now is 91.8 secs Computing kpt #: 246 total cpu time spent up to now is 92.1 secs Computing kpt #: 247 total cpu time spent up to now is 92.5 secs Computing kpt #: 248 total cpu time spent up to now is 92.8 secs Computing kpt #: 249 total cpu time spent up to now is 93.2 secs Computing kpt #: 250 total cpu time spent up to now is 93.5 secs Computing kpt #: 251 total cpu time spent up to now is 93.8 secs Computing kpt #: 252 total cpu time spent up to now is 94.2 secs Computing kpt #: 253 total cpu time spent up to now is 94.5 secs Computing kpt #: 254 total cpu time spent up to now is 94.9 secs Computing kpt #: 255 total cpu time spent up to now is 95.2 secs Computing kpt #: 256 total cpu time spent up to now is 95.6 secs Computing kpt #: 257 total cpu time spent up to now is 95.9 secs Computing kpt #: 258 total cpu time spent up to now is 96.2 secs Computing kpt #: 259 total cpu time spent up to now is 96.6 secs Computing kpt #: 260 total cpu time spent up to now is 96.9 secs Computing kpt #: 261 total cpu time spent up to now is 97.3 secs Computing kpt #: 262 total cpu time spent up to now is 97.6 secs Computing kpt #: 263 total cpu time spent up to now is 98.0 secs Computing kpt #: 264 total cpu time spent up to now is 98.3 secs Computing kpt #: 265 total cpu time spent up to now is 98.6 secs Computing kpt #: 266 total cpu time spent up to now is 99.0 secs Computing kpt #: 267 total cpu time spent up to now is 99.3 secs Computing kpt #: 268 total cpu time spent up to now is 99.7 secs Computing kpt #: 269 total cpu time spent up to now is 100.0 secs Computing kpt #: 270 total cpu time spent up to now is 100.4 secs Computing kpt #: 271 total cpu time spent up to now is 100.7 secs Computing kpt #: 272 total cpu time spent up to now is 101.1 secs Computing kpt #: 273 total cpu time spent up to now is 101.4 secs Computing kpt #: 274 total cpu time spent up to now is 101.8 secs Computing kpt #: 275 total cpu time spent up to now is 102.1 secs Computing kpt #: 276 total cpu time spent up to now is 102.5 secs Computing kpt #: 277 total cpu time spent up to now is 102.8 secs Computing kpt #: 278 total cpu time spent up to now is 103.1 secs Computing kpt #: 279 total cpu time spent up to now is 103.5 secs Computing kpt #: 280 total cpu time spent up to now is 103.8 secs Computing kpt #: 281 total cpu time spent up to now is 104.2 secs Computing kpt #: 282 total cpu time spent up to now is 104.5 secs Computing kpt #: 283 total cpu time spent up to now is 104.9 secs Computing kpt #: 284 total cpu time spent up to now is 105.2 secs Computing kpt #: 285 total cpu time spent up to now is 105.6 secs Computing kpt #: 286 total cpu time spent up to now is 105.9 secs Computing kpt #: 287 total cpu time spent up to now is 106.3 secs Computing kpt #: 288 total cpu time spent up to now is 106.6 secs Computing kpt #: 289 total cpu time spent up to now is 106.9 secs Computing kpt #: 290 total cpu time spent up to now is 107.4 secs Computing kpt #: 291 total cpu time spent up to now is 107.8 secs Computing kpt #: 292 total cpu time spent up to now is 108.2 secs Computing kpt #: 293 total cpu time spent up to now is 108.6 secs Computing kpt #: 294 total cpu time spent up to now is 109.0 secs Computing kpt #: 295 total cpu time spent up to now is 109.5 secs Computing kpt #: 296 total cpu time spent up to now is 109.9 secs Computing kpt #: 297 total cpu time spent up to now is 110.3 secs Computing kpt #: 298 total cpu time spent up to now is 110.7 secs Computing kpt #: 299 total cpu time spent up to now is 111.1 secs Computing kpt #: 300 total cpu time spent up to now is 111.5 secs Computing kpt #: 301 total cpu time spent up to now is 111.9 secs Computing kpt #: 302 total cpu time spent up to now is 112.3 secs Computing kpt #: 303 total cpu time spent up to now is 112.6 secs Computing kpt #: 304 total cpu time spent up to now is 113.0 secs Computing kpt #: 305 total cpu time spent up to now is 113.4 secs Computing kpt #: 306 total cpu time spent up to now is 113.7 secs Computing kpt #: 307 total cpu time spent up to now is 114.1 secs Computing kpt #: 308 total cpu time spent up to now is 114.5 secs Computing kpt #: 309 total cpu time spent up to now is 114.8 secs Computing kpt #: 310 total cpu time spent up to now is 115.2 secs Computing kpt #: 311 total cpu time spent up to now is 115.6 secs Computing kpt #: 312 total cpu time spent up to now is 115.9 secs Computing kpt #: 313 total cpu time spent up to now is 116.3 secs Computing kpt #: 314 total cpu time spent up to now is 116.7 secs Computing kpt #: 315 total cpu time spent up to now is 117.1 secs Computing kpt #: 316 total cpu time spent up to now is 117.4 secs Computing kpt #: 317 total cpu time spent up to now is 117.8 secs Computing kpt #: 318 total cpu time spent up to now is 118.1 secs Computing kpt #: 319 total cpu time spent up to now is 118.5 secs Computing kpt #: 320 total cpu time spent up to now is 118.8 secs Computing kpt #: 321 total cpu time spent up to now is 119.2 secs Computing kpt #: 322 total cpu time spent up to now is 119.5 secs Computing kpt #: 323 total cpu time spent up to now is 119.9 secs Computing kpt #: 324 total cpu time spent up to now is 120.2 secs Computing kpt #: 325 total cpu time spent up to now is 120.6 secs Computing kpt #: 326 total cpu time spent up to now is 120.9 secs Computing kpt #: 327 total cpu time spent up to now is 121.3 secs Computing kpt #: 328 total cpu time spent up to now is 121.6 secs Computing kpt #: 329 total cpu time spent up to now is 122.0 secs Computing kpt #: 330 total cpu time spent up to now is 122.3 secs Computing kpt #: 331 total cpu time spent up to now is 122.6 secs Computing kpt #: 332 total cpu time spent up to now is 123.0 secs ethr = 2.78E-08, avg # of iterations = 18.4 total cpu time spent up to now is 123.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4141 PWs) bands (ev): -20.9996 -20.9996 -20.9656 -20.9656 -8.1441 -8.1441 -7.5189 -7.5189 -7.3166 -7.3166 -7.0098 -7.0098 -5.4974 -5.4974 -5.4519 -5.4519 -5.4378 -5.4378 -5.2555 -5.2555 1.4418 1.4418 2.0257 2.0257 3.3184 3.3184 3.4123 3.4123 3.5632 3.5632 3.7008 3.7008 4.0241 4.0241 4.5046 4.5046 7.7501 7.7501 8.6043 8.6043 8.6448 8.6448 9.5703 9.5703 k = 0.0114 0.0072-0.0043 ( 4142 PWs) bands (ev): -20.9995 -20.9995 -20.9656 -20.9656 -8.1437 -8.1437 -7.5207 -7.5207 -7.3153 -7.3153 -7.0101 -7.0101 -5.4975 -5.4975 -5.4531 -5.4531 -5.4369 -5.4369 -5.2560 -5.2560 1.4430 1.4430 2.0256 2.0256 3.3185 3.3185 3.4089 3.4089 3.5621 3.5621 3.7030 3.7030 4.0247 4.0247 4.5052 4.5052 7.7519 7.7519 8.6060 8.6060 8.6465 8.6465 9.5634 9.5634 k = 0.0227 0.0143-0.0086 ( 4141 PWs) bands (ev): -20.9993 -20.9993 -20.9655 -20.9655 -8.1424 -8.1424 -7.5259 -7.5259 -7.3115 -7.3115 -7.0111 -7.0111 -5.4979 -5.4979 -5.4562 -5.4562 -5.4348 -5.4348 -5.2572 -5.2572 1.4465 1.4465 2.0254 2.0254 3.3188 3.3188 3.3989 3.3989 3.5588 3.5588 3.7092 3.7092 4.0264 4.0264 4.5067 4.5067 7.7573 7.7573 8.6113 8.6113 8.6515 8.6515 9.5429 9.5429 k = 0.0341 0.0215-0.0129 ( 4138 PWs) bands (ev): -20.9990 -20.9990 -20.9653 -20.9653 -8.1403 -8.1403 -7.5343 -7.5343 -7.3057 -7.3057 -7.0126 -7.0126 -5.4986 -5.4986 -5.4605 -5.4605 -5.4323 -5.4323 -5.2594 -5.2594 1.4524 1.4524 2.0249 2.0249 3.3194 3.3194 3.3836 3.3836 3.5532 3.5532 3.7179 3.7179 4.0296 4.0296 4.5093 4.5093 7.7663 7.7663 8.6200 8.6200 8.6598 8.6598 9.5095 9.5095 k = 0.0455 0.0287-0.0172 ( 4134 PWs) bands (ev): -20.9986 -20.9986 -20.9651 -20.9651 -8.1374 -8.1374 -7.5452 -7.5452 -7.2983 -7.2983 -7.0147 -7.0147 -5.4996 -5.4996 -5.4655 -5.4655 -5.4297 -5.4297 -5.2623 -5.2623 1.4606 1.4606 2.0241 2.0241 3.3202 3.3202 3.3644 3.3644 3.5457 3.5457 3.7275 3.7275 4.0347 4.0347 4.5127 4.5127 7.7789 7.7789 8.6321 8.6321 8.6714 8.6714 9.4641 9.4641 k = 0.0568 0.0358-0.0215 ( 4131 PWs) bands (ev): -20.9981 -20.9981 -20.9649 -20.9649 -8.1336 -8.1336 -7.5582 -7.5582 -7.2897 -7.2897 -7.0174 -7.0174 -5.5010 -5.5010 -5.4712 -5.4712 -5.4271 -5.4271 -5.2660 -5.2660 1.4709 1.4709 2.0231 2.0231 3.3211 3.3211 3.3426 3.3426 3.5363 3.5363 3.7363 3.7363 4.0423 4.0423 4.5168 4.5168 7.7950 7.7950 8.6473 8.6473 8.6860 8.6860 9.4081 9.4081 k = 0.0682 0.0430-0.0258 ( 4123 PWs) bands (ev): -20.9975 -20.9975 -20.9646 -20.9646 -8.1290 -8.1290 -7.5729 -7.5729 -7.2804 -7.2804 -7.0206 -7.0206 -5.5026 -5.5026 -5.4776 -5.4776 -5.4245 -5.4245 -5.2705 -5.2705 1.4834 1.4834 2.0217 2.0217 3.3170 3.3170 3.3243 3.3243 3.5253 3.5253 3.7430 3.7430 4.0528 4.0528 4.5213 4.5213 7.8147 7.8147 8.6654 8.6654 8.7038 8.7038 9.3429 9.3429 k = 0.0795 0.0502-0.0301 ( 4133 PWs) bands (ev): -20.9968 -20.9968 -20.9642 -20.9642 -8.1237 -8.1237 -7.5889 -7.5889 -7.2708 -7.2708 -7.0243 -7.0243 -5.5046 -5.5046 -5.4846 -5.4846 -5.4220 -5.4220 -5.2756 -5.2756 1.4979 1.4979 2.0199 2.0199 3.2934 3.2934 3.3247 3.3247 3.5131 3.5131 3.7467 3.7467 4.0664 4.0664 4.5260 4.5260 7.8379 7.8379 8.6860 8.6860 8.7244 8.7244 9.2698 9.2698 k = 0.0909 0.0573-0.0344 ( 4129 PWs) bands (ev): -20.9960 -20.9960 -20.9638 -20.9638 -8.1176 -8.1176 -7.6060 -7.6060 -7.2611 -7.2611 -7.0285 -7.0285 -5.5070 -5.5070 -5.4921 -5.4921 -5.4195 -5.4195 -5.2814 -5.2814 1.5143 1.5143 2.0177 2.0177 3.2682 3.2682 3.3262 3.3262 3.5001 3.5001 3.7471 3.7471 4.0833 4.0833 4.5308 4.5308 7.8646 7.8646 8.7088 8.7088 8.7479 8.7479 9.1904 9.1904 k = 0.1023 0.0645-0.0387 ( 4129 PWs) bands (ev): -20.9951 -20.9951 -20.9633 -20.9633 -8.1107 -8.1107 -7.6239 -7.6239 -7.2515 -7.2515 -7.0330 -7.0330 -5.5099 -5.5099 -5.5000 -5.5000 -5.4172 -5.4172 -5.2876 -5.2876 1.5323 1.5323 2.0149 2.0149 3.2430 3.2430 3.3279 3.3279 3.4865 3.4865 3.7440 3.7440 4.1031 4.1031 4.5353 4.5353 7.8947 7.8947 8.7331 8.7331 8.7738 8.7738 9.1065 9.1065 k = 0.1136 0.0717-0.0430 ( 4131 PWs) bands (ev): -20.9941 -20.9941 -20.9628 -20.9628 -8.1031 -8.1031 -7.6424 -7.6424 -7.2422 -7.2422 -7.0378 -7.0378 -5.5142 -5.5142 -5.5077 -5.5077 -5.4149 -5.4149 -5.2944 -5.2944 1.5520 1.5520 2.0115 2.0115 3.2179 3.2179 3.3297 3.3297 3.4730 3.4730 3.7378 3.7378 4.1254 4.1254 4.5394 4.5394 7.9282 7.9282 8.7583 8.7583 8.8005 8.8005 9.0210 9.0210 k = 0.1250 0.0788-0.0473 ( 4128 PWs) bands (ev): -20.9930 -20.9930 -20.9622 -20.9622 -8.0948 -8.0948 -7.6613 -7.6613 -7.2334 -7.2334 -7.0428 -7.0428 -5.5214 -5.5214 -5.5132 -5.5132 -5.4128 -5.4128 -5.3014 -5.3014 1.5730 1.5730 2.0074 2.0074 3.1934 3.1934 3.3312 3.3312 3.4599 3.4599 3.7291 3.7291 4.1496 4.1496 4.5429 4.5429 7.9651 7.9651 8.7823 8.7823 8.8207 8.8207 8.9438 8.9438 k = 0.1364 0.0860-0.0516 ( 4123 PWs) bands (ev): -20.9918 -20.9918 -20.9616 -20.9616 -8.0859 -8.0859 -7.6807 -7.6807 -7.2252 -7.2252 -7.0479 -7.0479 -5.5310 -5.5310 -5.5174 -5.5174 -5.4109 -5.4109 -5.3086 -5.3086 1.5952 1.5952 2.0026 2.0026 3.1696 3.1696 3.3324 3.3324 3.4480 3.4480 3.7183 3.7183 4.1753 4.1753 4.5456 4.5456 8.0053 8.0053 8.7762 8.7762 8.8229 8.8229 8.9161 8.9161 k = 0.1477 0.0932-0.0559 ( 4127 PWs) bands (ev): -20.9906 -20.9906 -20.9610 -20.9610 -8.0763 -8.0763 -7.7002 -7.7002 -7.2177 -7.2177 -7.0530 -7.0530 -5.5417 -5.5417 -5.5214 -5.5214 -5.4093 -5.4093 -5.3159 -5.3159 1.6183 1.6183 1.9969 1.9969 3.1465 3.1465 3.3327 3.3327 3.4377 3.4377 3.7059 3.7059 4.2018 4.2018 4.5472 4.5472 8.0487 8.0487 8.6984 8.6984 8.8459 8.8459 8.9410 8.9410 k = 0.1591 0.1003-0.0602 ( 4120 PWs) bands (ev): -20.9892 -20.9892 -20.9603 -20.9603 -8.0662 -8.0662 -7.7200 -7.7200 -7.2111 -7.2111 -7.0578 -7.0578 -5.5531 -5.5531 -5.5256 -5.5256 -5.4082 -5.4082 -5.3230 -5.3230 1.6422 1.6422 1.9903 1.9903 3.1243 3.1243 3.3321 3.3321 3.4298 3.4298 3.6925 3.6925 4.2289 4.2289 4.5477 4.5477 8.0953 8.0953 8.6037 8.6037 8.8737 8.8737 8.9802 8.9802 k = 0.1705 0.1075-0.0645 ( 4117 PWs) bands (ev): -20.9879 -20.9879 -20.9596 -20.9596 -8.0555 -8.0555 -7.7397 -7.7397 -7.2056 -7.2056 -7.0623 -7.0623 -5.5651 -5.5651 -5.5301 -5.5301 -5.4076 -5.4076 -5.3298 -5.3298 1.6665 1.6665 1.9828 1.9828 3.1031 3.1031 3.3301 3.3301 3.4247 3.4247 3.6785 3.6785 4.2561 4.2561 4.5470 4.5470 8.1450 8.1450 8.5049 8.5049 8.9028 8.9028 9.0249 9.0249 k = 0.1818 0.1147-0.0688 ( 4116 PWs) bands (ev): -20.9864 -20.9864 -20.9589 -20.9589 -8.0443 -8.0443 -7.7594 -7.7594 -7.2014 -7.2014 -7.0662 -7.0662 -5.5777 -5.5777 -5.5348 -5.5348 -5.4079 -5.4079 -5.3358 -5.3358 1.6911 1.6911 1.9743 1.9743 3.0827 3.0827 3.3270 3.3270 3.4227 3.4227 3.6643 3.6643 4.2832 4.2832 4.5450 4.5450 8.1978 8.1978 8.4046 8.4046 8.9329 8.9329 9.0731 9.0731 k = 0.1932 0.1218-0.0731 ( 4112 PWs) bands (ev): -20.9849 -20.9849 -20.9581 -20.9581 -8.0328 -8.0328 -7.7789 -7.7789 -7.1985 -7.1985 -7.0693 -7.0693 -5.5908 -5.5908 -5.5398 -5.5398 -5.4093 -5.4093 -5.3409 -5.3409 1.7156 1.7156 1.9649 1.9649 3.0633 3.0633 3.3231 3.3231 3.4235 3.4235 3.6503 3.6503 4.3099 4.3099 4.5415 4.5415 8.2535 8.2535 8.3039 8.3039 8.9640 8.9640 9.1242 9.1242 k = 0.2045 0.1290-0.0774 ( 4099 PWs) bands (ev): -20.9834 -20.9834 -20.9573 -20.9573 -8.0209 -8.0209 -7.7982 -7.7982 -7.1971 -7.1971 -7.0714 -7.0714 -5.6044 -5.6044 -5.5451 -5.5451 -5.4118 -5.4118 -5.3448 -5.3448 1.7398 1.7398 1.9546 1.9546 3.0446 3.0446 3.3191 3.3191 3.4268 3.4268 3.6369 3.6369 4.3359 4.3359 4.5367 4.5367 8.2035 8.2035 8.3123 8.3123 8.9963 8.9963 9.1777 9.1777 k = 0.2159 0.1362-0.0817 ( 4100 PWs) bands (ev): -20.9819 -20.9819 -20.9565 -20.9565 -8.0089 -8.0089 -7.8171 -7.8171 -7.1974 -7.1974 -7.0725 -7.0725 -5.6184 -5.6184 -5.5507 -5.5507 -5.4156 -5.4156 -5.3473 -5.3473 1.7634 1.7634 1.9435 1.9435 3.0267 3.0267 3.3158 3.3158 3.4320 3.4320 3.6244 3.6244 4.3611 4.3611 4.5304 4.5304 8.1039 8.1039 8.3738 8.3738 9.0300 9.0300 9.2334 9.2334 k = 0.2273 0.1433-0.0860 ( 4097 PWs) bands (ev): -20.9803 -20.9803 -20.9557 -20.9557 -7.9969 -7.9969 -7.8353 -7.8353 -7.1992 -7.1992 -7.0726 -7.0726 -5.6327 -5.6327 -5.5565 -5.5565 -5.4206 -5.4206 -5.3487 -5.3487 1.7861 1.7861 1.9317 1.9317 3.0094 3.0094 3.3135 3.3135 3.4388 3.4388 3.6130 3.6130 4.3851 4.3851 4.5228 4.5228 8.0056 8.0056 8.4379 8.4379 9.0652 9.0652 9.2911 9.2911 k = 0.2386 0.1505-0.0903 ( 4094 PWs) bands (ev): -20.9787 -20.9787 -20.9549 -20.9549 -7.9851 -7.9851 -7.8527 -7.8527 -7.2024 -7.2024 -7.0716 -7.0716 -5.6474 -5.6474 -5.5625 -5.5625 -5.4264 -5.4264 -5.3491 -5.3491 1.8075 1.8075 1.9194 1.9194 2.9926 2.9926 3.3128 3.3128 3.4468 3.4468 3.6032 3.6032 4.4078 4.4078 4.5141 4.5141 7.9088 7.9088 8.5047 8.5047 9.1022 9.1022 9.3506 9.3506 k = 0.2500 0.1577-0.0946 ( 4097 PWs) bands (ev): -20.9771 -20.9771 -20.9541 -20.9541 -7.9741 -7.9741 -7.8687 -7.8687 -7.2069 -7.2069 -7.0698 -7.0698 -5.6623 -5.6623 -5.5688 -5.5688 -5.4328 -5.4328 -5.3487 -5.3487 1.8269 1.8269 1.9073 1.9073 2.9762 2.9762 3.3140 3.3140 3.4558 3.4558 3.5950 3.5950 4.4284 4.4284 4.5047 4.5047 7.8139 7.8139 8.5740 8.5740 9.1412 9.1412 9.4116 9.4116 k = 0.2614 0.1648-0.0989 ( 4098 PWs) bands (ev): -20.9755 -20.9755 -20.9532 -20.9532 -7.9649 -7.9649 -7.8823 -7.8823 -7.2125 -7.2125 -7.0672 -7.0672 -5.6773 -5.6773 -5.5753 -5.5753 -5.4396 -5.4396 -5.3477 -5.3477 1.8430 1.8430 1.8966 1.8966 2.9601 2.9601 3.3173 3.3173 3.4656 3.4656 3.5888 3.5888 4.4451 4.4451 4.4965 4.4965 7.7212 7.7212 8.6456 8.6456 9.1824 9.1824 9.4740 9.4740 k = 0.2727 0.1720-0.1032 ( 4096 PWs) bands (ev): -20.9739 -20.9739 -20.9524 -20.9524 -7.9596 -7.9596 -7.8914 -7.8914 -7.2189 -7.2189 -7.0642 -7.0642 -5.6925 -5.6925 -5.5819 -5.5819 -5.4465 -5.4465 -5.3463 -5.3463 1.8511 1.8511 1.8919 1.8919 2.9443 2.9443 3.3228 3.3228 3.4761 3.4761 3.5846 3.5846 4.4526 4.4526 4.4948 4.4948 7.6308 7.6308 8.7195 8.7195 9.2259 9.2259 9.5374 9.5374 k = 0.2841 0.1792-0.1075 ( 4091 PWs) bands (ev): -20.9723 -20.9723 -20.9516 -20.9516 -7.9606 -7.9606 -7.8935 -7.8935 -7.2258 -7.2258 -7.0607 -7.0607 -5.7077 -5.7077 -5.5887 -5.5887 -5.4533 -5.4533 -5.3447 -5.3447 1.8468 1.8468 1.8978 1.8978 2.9285 2.9285 3.3305 3.3305 3.4869 3.4869 3.5826 3.5826 4.4466 4.4466 4.5039 4.5039 7.5432 7.5432 8.7954 8.7954 9.2718 9.2718 9.6018 9.6018 k = 0.2955 0.1863-0.1118 ( 4096 PWs) bands (ev): -20.9707 -20.9707 -20.9508 -20.9508 -7.9681 -7.9681 -7.8888 -7.8888 -7.2332 -7.2332 -7.0570 -7.0570 -5.7228 -5.7228 -5.5956 -5.5956 -5.4600 -5.4600 -5.3429 -5.3429 1.8354 1.8354 1.9090 1.9090 2.9129 2.9129 3.3404 3.3404 3.4982 3.4982 3.5829 3.5829 4.4332 4.4332 4.5177 4.5177 7.4584 7.4584 8.8731 8.8731 9.3204 9.3204 9.6668 9.6668 k = 0.3068 0.1935-0.1161 ( 4095 PWs) bands (ev): -20.9692 -20.9692 -20.9500 -20.9500 -7.9792 -7.9792 -7.8798 -7.8798 -7.2410 -7.2410 -7.0532 -7.0532 -5.7378 -5.7378 -5.6025 -5.6025 -5.4665 -5.4665 -5.3411 -5.3411 1.8216 1.8216 1.9208 1.9208 2.8974 2.8974 3.3523 3.3523 3.5096 3.5096 3.5855 3.5855 4.4167 4.4167 4.5321 4.5321 7.3768 7.3768 8.9525 8.9525 9.3715 9.3715 9.7322 9.7322 k = 0.3182 0.2007-0.1204 ( 4095 PWs) bands (ev): -20.9677 -20.9677 -20.9493 -20.9493 -7.9917 -7.9917 -7.8688 -7.8688 -7.2488 -7.2488 -7.0492 -7.0492 -5.7526 -5.7526 -5.6094 -5.6094 -5.4727 -5.4727 -5.3392 -5.3392 1.8071 1.8071 1.9319 1.9319 2.8822 2.8822 3.3661 3.3661 3.5212 3.5212 3.5903 3.5903 4.3982 4.3982 4.5457 4.5457 7.2984 7.2984 9.0334 9.0334 9.4253 9.4253 9.7975 9.7975 k = 0.3295 0.2079-0.1247 ( 4092 PWs) bands (ev): -20.9662 -20.9662 -20.9485 -20.9485 -8.0047 -8.0047 -7.8570 -7.8570 -7.2567 -7.2567 -7.0453 -7.0453 -5.7672 -5.7672 -5.6162 -5.6162 -5.4786 -5.4786 -5.3373 -5.3373 1.7924 1.7924 1.9418 1.9418 2.8671 2.8671 3.3814 3.3814 3.5329 3.5329 3.5971 3.5971 4.3783 4.3783 4.5583 4.5583 7.2237 7.2237 9.1155 9.1155 9.4818 9.4818 9.8624 9.8624 k = 0.3409 0.2150-0.1290 ( 4086 PWs) bands (ev): -20.9648 -20.9648 -20.9478 -20.9478 -8.0174 -8.0174 -7.8449 -7.8449 -7.2646 -7.2646 -7.0414 -7.0414 -5.7813 -5.7813 -5.6229 -5.6229 -5.4841 -5.4841 -5.3355 -5.3355 1.7778 1.7778 1.9504 1.9504 2.8524 2.8524 3.3980 3.3980 3.5449 3.5449 3.6058 3.6058 4.3574 4.3574 4.5697 4.5697 7.1526 7.1526 9.1984 9.1984 9.5410 9.5410 9.9266 9.9266 k = 0.3523 0.2222-0.1333 ( 4089 PWs) bands (ev): -20.9635 -20.9635 -20.9471 -20.9471 -8.0298 -8.0298 -7.8328 -7.8328 -7.2724 -7.2724 -7.0376 -7.0376 -5.7950 -5.7950 -5.6295 -5.6295 -5.4892 -5.4892 -5.3337 -5.3337 1.7636 1.7636 1.9578 1.9578 2.8381 2.8381 3.4154 3.4154 3.5572 3.5572 3.6160 3.6160 4.3354 4.3354 4.5798 4.5798 7.0855 7.0855 9.2820 9.2820 9.6028 9.6028 9.9894 9.9894 k = 0.3636 0.2294-0.1376 ( 4085 PWs) bands (ev): -20.9622 -20.9622 -20.9465 -20.9465 -8.0415 -8.0415 -7.8210 -7.8210 -7.2799 -7.2799 -7.0339 -7.0339 -5.8081 -5.8081 -5.6358 -5.6358 -5.4939 -5.4939 -5.3321 -5.3321 1.7500 1.7500 1.9639 1.9639 2.8243 2.8243 3.4332 3.4332 3.5701 3.5701 3.6275 3.6275 4.3126 4.3126 4.5887 4.5887 7.0225 7.0225 9.3659 9.3659 9.6669 9.6669 10.0505 10.0505 k = 0.3750 0.2365-0.1419 ( 4093 PWs) bands (ev): -20.9611 -20.9611 -20.9459 -20.9459 -8.0525 -8.0525 -7.8095 -7.8095 -7.2872 -7.2872 -7.0304 -7.0304 -5.8206 -5.8206 -5.6418 -5.6418 -5.4983 -5.4983 -5.3305 -5.3305 1.7370 1.7370 1.9690 1.9690 2.8111 2.8111 3.4508 3.4508 3.5836 3.5836 3.6401 3.6401 4.2892 4.2892 4.5964 4.5964 6.9638 6.9638 9.4496 9.4496 9.7333 9.7333 10.1092 10.1092 k = 0.3864 0.2437-0.1462 ( 4087 PWs) bands (ev): -20.9600 -20.9600 -20.9453 -20.9453 -8.0628 -8.0628 -7.7986 -7.7986 -7.2941 -7.2941 -7.0270 -7.0270 -5.8324 -5.8324 -5.6475 -5.6475 -5.5022 -5.5022 -5.3291 -5.3291 1.7247 1.7247 1.9732 1.9732 2.7987 2.7987 3.4678 3.4678 3.5977 3.5977 3.6535 3.6535 4.2653 4.2653 4.6030 4.6030 6.9095 6.9095 9.5329 9.5329 9.8015 9.8015 10.1649 10.1649 k = 0.3977 0.2509-0.1505 ( 4083 PWs) bands (ev): -20.9589 -20.9589 -20.9448 -20.9448 -8.0722 -8.0722 -7.7884 -7.7884 -7.3006 -7.3006 -7.0239 -7.0239 -5.8433 -5.8433 -5.6528 -5.6528 -5.5058 -5.5058 -5.3277 -5.3277 1.7133 1.7133 1.9765 1.9765 2.7871 2.7871 3.4838 3.4838 3.6122 3.6122 3.6678 3.6678 4.2410 4.2410 4.6086 4.6086 6.8598 6.8598 9.6151 9.6151 9.8711 9.8711 10.2172 10.2172 k = 0.4091 0.2580-0.1548 ( 4081 PWs) bands (ev): -20.9580 -20.9580 -20.9443 -20.9443 -8.0807 -8.0807 -7.7789 -7.7789 -7.3066 -7.3066 -7.0210 -7.0210 -5.8534 -5.8534 -5.6577 -5.6577 -5.5090 -5.5090 -5.3265 -5.3265 1.7029 1.7029 1.9791 1.9791 2.7764 2.7764 3.4984 3.4984 3.6267 3.6267 3.6830 3.6830 4.2167 4.2167 4.6133 4.6133 6.8149 6.8149 9.6957 9.6957 9.9415 9.9415 10.2653 10.2653 k = 0.4205 0.2652-0.1591 ( 4081 PWs) bands (ev): -20.9572 -20.9572 -20.9439 -20.9439 -8.0883 -8.0883 -7.7703 -7.7703 -7.3122 -7.3122 -7.0184 -7.0184 -5.8625 -5.8625 -5.6621 -5.6621 -5.5118 -5.5118 -5.3254 -5.3254 1.6935 1.6935 1.9812 1.9812 2.7668 2.7668 3.5113 3.5113 3.6406 3.6406 3.6992 3.6992 4.1926 4.1926 4.6170 4.6170 6.7749 6.7749 9.7741 9.7741 10.0117 10.0117 10.3088 10.3088 k = 0.4318 0.2724-0.1634 ( 4079 PWs) bands (ev): -20.9565 -20.9565 -20.9435 -20.9435 -8.0949 -8.0949 -7.7625 -7.7625 -7.3171 -7.3171 -7.0160 -7.0160 -5.8705 -5.8705 -5.6660 -5.6660 -5.5142 -5.5142 -5.3245 -5.3245 1.6853 1.6853 1.9827 1.9827 2.7583 2.7583 3.5225 3.5225 3.6533 3.6533 3.7163 3.7163 4.1690 4.1690 4.6201 4.6201 6.7400 6.7400 9.8494 9.8494 10.0805 10.0805 10.3473 10.3473 k = 0.4432 0.2795-0.1677 ( 4085 PWs) bands (ev): -20.9558 -20.9558 -20.9432 -20.9432 -8.1005 -8.1005 -7.7559 -7.7559 -7.3214 -7.3214 -7.0140 -7.0140 -5.8775 -5.8775 -5.6693 -5.6693 -5.5162 -5.5162 -5.3237 -5.3237 1.6782 1.6782 1.9838 1.9838 2.7509 2.7509 3.5319 3.5319 3.6642 3.6642 3.7339 3.7339 4.1464 4.1464 4.6224 4.6224 6.7102 6.7102 9.9204 9.9204 10.1464 10.1464 10.3802 10.3802 k = 0.4545 0.2867-0.1720 ( 4077 PWs) bands (ev): -20.9553 -20.9553 -20.9429 -20.9429 -8.1052 -8.1052 -7.7503 -7.7503 -7.3249 -7.3249 -7.0123 -7.0123 -5.8832 -5.8832 -5.6721 -5.6721 -5.5179 -5.5179 -5.3230 -5.3230 1.6723 1.6723 1.9846 1.9846 2.7449 2.7449 3.5396 3.5396 3.6733 3.6733 3.7512 3.7512 4.1256 4.1256 4.6242 4.6242 6.6857 6.6857 9.9855 9.9855 10.2072 10.2072 10.4074 10.4074 k = 0.4659 0.2939-0.1763 ( 4073 PWs) bands (ev): -20.9549 -20.9549 -20.9427 -20.9427 -8.1088 -8.1088 -7.7459 -7.7459 -7.3278 -7.3278 -7.0110 -7.0110 -5.8878 -5.8878 -5.6743 -5.6743 -5.5192 -5.5192 -5.3225 -5.3225 1.6677 1.6677 1.9852 1.9852 2.7401 2.7401 3.5455 3.5455 3.6803 3.6803 3.7670 3.7670 4.1074 4.1074 4.6255 4.6255 6.6665 6.6665 10.0423 10.0423 10.2600 10.2600 10.4286 10.4286 k = 0.4773 0.3010-0.1805 ( 4071 PWs) bands (ev): -20.9546 -20.9546 -20.9426 -20.9426 -8.1114 -8.1114 -7.7427 -7.7427 -7.3298 -7.3298 -7.0101 -7.0101 -5.8910 -5.8910 -5.6759 -5.6759 -5.5201 -5.5201 -5.3221 -5.3221 1.6644 1.6644 1.9856 1.9856 2.7366 2.7366 3.5497 3.5497 3.6854 3.6854 3.7800 3.7800 4.0929 4.0929 4.6264 4.6264 6.6528 6.6528 10.0876 10.0876 10.3012 10.3012 10.4438 10.4438 k = 0.4886 0.3082-0.1848 ( 4062 PWs) bands (ev): -20.9545 -20.9545 -20.9425 -20.9425 -8.1130 -8.1130 -7.7407 -7.7407 -7.3311 -7.3311 -7.0095 -7.0095 -5.8930 -5.8930 -5.6768 -5.6768 -5.5207 -5.5207 -5.3219 -5.3219 1.6624 1.6624 1.9858 1.9858 2.7346 2.7346 3.5522 3.5522 3.6884 3.6884 3.7886 3.7886 4.0835 4.0835 4.6270 4.6270 6.6445 6.6445 10.1175 10.1175 10.3275 10.3275 10.4529 10.4529 k = 0.5000 0.3154-0.1891 ( 4064 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1135 -8.1135 -7.7401 -7.7401 -7.3315 -7.3315 -7.0093 -7.0093 -5.8937 -5.8937 -5.6771 -5.6771 -5.5208 -5.5208 -5.3218 -5.3218 1.6617 1.6617 1.9858 1.9858 2.7339 2.7339 3.5530 3.5530 3.6894 3.6894 3.7916 3.7916 4.0802 4.0802 4.6271 4.6271 6.6418 6.6418 10.1280 10.1280 10.3366 10.3366 10.4559 10.4559 k = 0.5000 0.3154-0.1891 ( 4064 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1135 -8.1135 -7.7401 -7.7401 -7.3315 -7.3315 -7.0093 -7.0093 -5.8937 -5.8937 -5.6771 -5.6771 -5.5208 -5.5208 -5.3218 -5.3218 1.6617 1.6617 1.9858 1.9858 2.7339 2.7339 3.5530 3.5530 3.6894 3.6894 3.7916 3.7916 4.0802 4.0802 4.6271 4.6271 6.6418 6.6418 10.1280 10.1280 10.3366 10.3366 10.4559 10.4559 k = 0.5034 0.3175-0.1767 ( 4062 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1131 -8.1131 -7.7409 -7.7409 -7.3309 -7.3309 -7.0097 -7.0097 -5.8928 -5.8928 -5.6769 -5.6769 -5.5211 -5.5211 -5.3224 -5.3224 1.6622 1.6622 1.9857 1.9857 2.7355 2.7355 3.5521 3.5521 3.6884 3.6884 3.7893 3.7893 4.0823 4.0823 4.6270 4.6270 6.6436 6.6436 10.1048 10.1048 10.3524 10.3524 10.4576 10.4576 k = 0.5067 0.3196-0.1643 ( 4072 PWs) bands (ev): -20.9543 -20.9543 -20.9426 -20.9426 -8.1119 -8.1119 -7.7432 -7.7432 -7.3290 -7.3290 -7.0108 -7.0108 -5.8903 -5.8903 -5.6764 -5.6764 -5.5220 -5.5220 -5.3242 -5.3242 1.6639 1.6639 1.9850 1.9850 2.7403 2.7403 3.5493 3.5493 3.6854 3.6854 3.7825 3.7825 4.0884 4.0884 4.6267 4.6267 6.6492 6.6492 10.0488 10.0488 10.3864 10.3864 10.4627 10.4627 k = 0.5101 0.3217-0.1518 ( 4076 PWs) bands (ev): -20.9542 -20.9542 -20.9427 -20.9427 -8.1100 -8.1100 -7.7470 -7.7470 -7.3261 -7.3261 -7.0128 -7.0128 -5.8862 -5.8862 -5.6754 -5.6754 -5.5233 -5.5233 -5.3270 -5.3270 1.6666 1.6666 1.9840 1.9840 2.7482 2.7482 3.5448 3.5448 3.6806 3.6806 3.7716 3.7716 4.0980 4.0980 4.6261 4.6261 6.6584 6.6584 9.9764 9.9764 10.4224 10.4224 10.4712 10.4712 k = 0.5135 0.3239-0.1394 ( 4073 PWs) bands (ev): -20.9541 -20.9541 -20.9429 -20.9429 -8.1072 -8.1072 -7.7522 -7.7522 -7.3220 -7.3220 -7.0154 -7.0154 -5.8805 -5.8805 -5.6741 -5.6741 -5.5252 -5.5252 -5.3310 -5.3310 1.6704 1.6704 1.9826 1.9826 2.7593 2.7593 3.5385 3.5385 3.6741 3.6741 3.7571 3.7571 4.1106 4.1106 4.6254 4.6254 6.6712 6.6712 9.8949 9.8949 10.4513 10.4513 10.4828 10.4828 k = 0.5168 0.3260-0.1269 ( 4083 PWs) bands (ev): -20.9539 -20.9539 -20.9431 -20.9431 -8.1037 -8.1037 -7.7586 -7.7586 -7.3169 -7.3169 -7.0189 -7.0189 -5.8732 -5.8732 -5.6725 -5.6725 -5.5277 -5.5277 -5.3359 -5.3359 1.6752 1.6752 1.9807 1.9807 2.7734 2.7734 3.5305 3.5305 3.6660 3.6660 3.7397 3.7397 4.1255 4.1255 4.6243 4.6243 6.6878 6.6878 9.8077 9.8077 10.4629 10.4629 10.4977 10.4977 k = 0.5202 0.3281-0.1145 ( 4083 PWs) bands (ev): -20.9537 -20.9537 -20.9434 -20.9434 -8.0995 -8.0995 -7.7662 -7.7662 -7.3110 -7.3110 -7.0230 -7.0230 -5.8645 -5.8645 -5.6707 -5.6707 -5.5306 -5.5306 -5.3418 -5.3418 1.6810 1.6810 1.9784 1.9784 2.7904 2.7904 3.5211 3.5211 3.6565 3.6565 3.7199 3.7199 4.1423 4.1423 4.6230 4.6230 6.7079 6.7079 9.7165 9.7165 10.4515 10.4515 10.5152 10.5152 k = 0.5236 0.3302-0.1021 ( 4083 PWs) bands (ev): -20.9535 -20.9535 -20.9438 -20.9438 -8.0945 -8.0945 -7.7748 -7.7748 -7.3043 -7.3043 -7.0278 -7.0278 -5.8545 -5.8545 -5.6686 -5.6686 -5.5339 -5.5339 -5.3484 -5.3484 1.6878 1.6878 1.9757 1.9757 2.8101 2.8101 3.5103 3.5103 3.6454 3.6454 3.6985 3.6985 4.1603 4.1603 4.6213 4.6213 6.7315 6.7315 9.6226 9.6226 10.4286 10.4286 10.5351 10.5351 k = 0.5269 0.3323-0.0896 ( 4087 PWs) bands (ev): -20.9532 -20.9532 -20.9442 -20.9442 -8.0889 -8.0889 -7.7843 -7.7843 -7.2970 -7.2970 -7.0332 -7.0332 -5.8433 -5.8433 -5.6664 -5.6664 -5.5375 -5.5375 -5.3558 -5.3558 1.6955 1.6955 1.9724 1.9724 2.8325 2.8325 3.4981 3.4981 3.6323 3.6323 3.6766 3.6766 4.1793 4.1793 4.6192 4.6192 6.7587 6.7587 9.5270 9.5270 10.4020 10.4020 10.5570 10.5570 k = 0.5269 0.3323-0.0896 ( 4087 PWs) bands (ev): -20.9532 -20.9532 -20.9442 -20.9442 -8.0889 -8.0889 -7.7843 -7.7843 -7.2970 -7.2970 -7.0332 -7.0332 -5.8433 -5.8433 -5.6664 -5.6664 -5.5375 -5.5375 -5.3558 -5.3558 1.6955 1.6955 1.9724 1.9724 2.8325 2.8325 3.4981 3.4981 3.6323 3.6323 3.6766 3.6766 4.1793 4.1793 4.6192 4.6192 6.7587 6.7587 9.5270 9.5270 10.4020 10.4020 10.5570 10.5570 k = 0.5250 0.3311-0.0761 ( 4084 PWs) bands (ev): -20.9529 -20.9529 -20.9444 -20.9444 -8.0832 -8.0832 -7.7935 -7.7935 -7.2897 -7.2897 -7.0394 -7.0394 -5.8349 -5.8349 -5.6642 -5.6642 -5.5402 -5.5402 -5.3632 -5.3632 1.7047 1.7047 1.9701 1.9701 2.8496 2.8496 3.4881 3.4881 3.6116 3.6116 3.6513 3.6513 4.2080 4.2080 4.6193 4.6193 6.7980 6.7980 9.4020 9.4020 10.4012 10.4012 10.5718 10.5718 k = 0.5231 0.3299-0.0626 ( 4082 PWs) bands (ev): -20.9526 -20.9526 -20.9447 -20.9447 -8.0767 -8.0767 -7.8036 -7.8036 -7.2818 -7.2818 -7.0463 -7.0463 -5.8260 -5.8260 -5.6620 -5.6620 -5.5426 -5.5426 -5.3712 -5.3712 1.7150 1.7150 1.9675 1.9675 2.8680 2.8680 3.4773 3.4773 3.5861 3.5861 3.6293 3.6293 4.2373 4.2373 4.6189 4.6189 6.8433 6.8433 9.2732 9.2732 10.4058 10.4058 10.5856 10.5856 k = 0.5212 0.3287-0.0491 ( 4086 PWs) bands (ev): -20.9523 -20.9523 -20.9449 -20.9449 -8.0696 -8.0696 -7.8143 -7.8143 -7.2734 -7.2734 -7.0537 -7.0537 -5.8166 -5.8166 -5.6601 -5.6601 -5.5444 -5.5444 -5.3797 -5.3797 1.7264 1.7264 1.9644 1.9644 2.8876 2.8876 3.4654 3.4654 3.5579 3.5579 3.6096 3.6096 4.2667 4.2667 4.6180 4.6180 6.8944 6.8944 9.1425 9.1425 10.4147 10.4147 10.5981 10.5981 k = 0.5192 0.3275-0.0356 ( 4089 PWs) bands (ev): -20.9519 -20.9519 -20.9452 -20.9452 -8.0618 -8.0618 -7.8256 -7.8256 -7.2645 -7.2645 -7.0618 -7.0618 -5.8069 -5.8069 -5.6588 -5.6588 -5.5455 -5.5455 -5.3888 -5.3888 1.7386 1.7386 1.9607 1.9607 2.9084 2.9084 3.4515 3.4515 3.5299 3.5299 3.5913 3.5913 4.2958 4.2958 4.6164 4.6164 6.9513 6.9513 9.0111 9.0111 10.4271 10.4271 10.6092 10.6092 k = 0.5173 0.3263-0.0221 ( 4095 PWs) bands (ev): -20.9516 -20.9516 -20.9455 -20.9455 -8.0533 -8.0533 -7.8375 -7.8375 -7.2552 -7.2552 -7.0703 -7.0703 -5.7968 -5.7968 -5.6583 -5.6583 -5.5456 -5.5456 -5.3982 -5.3982 1.7517 1.7517 1.9563 1.9563 2.9302 2.9302 3.4342 3.4342 3.5049 3.5049 3.5735 3.5735 4.3244 4.3244 4.6139 4.6139 7.0137 7.0137 8.8801 8.8801 10.4424 10.4424 10.6185 10.6185 k = 0.5154 0.3251-0.0086 ( 4092 PWs) bands (ev): -20.9513 -20.9513 -20.9458 -20.9458 -8.0441 -8.0441 -7.8497 -7.8497 -7.2456 -7.2456 -7.0793 -7.0793 -5.7865 -5.7865 -5.6589 -5.6589 -5.5444 -5.5444 -5.4081 -5.4081 1.7653 1.7653 1.9513 1.9513 2.9531 2.9531 3.4119 3.4119 3.4854 3.4854 3.5563 3.5563 4.3522 4.3522 4.6103 4.6103 7.0814 7.0814 8.7500 8.7500 10.4598 10.4598 10.6260 10.6260 k = 0.5135 0.3239 0.0050 ( 4089 PWs) bands (ev): -20.9509 -20.9509 -20.9461 -20.9461 -8.0344 -8.0344 -7.8623 -7.8623 -7.2356 -7.2356 -7.0887 -7.0887 -5.7760 -5.7760 -5.6608 -5.6608 -5.5419 -5.5419 -5.4183 -5.4183 1.7795 1.7795 1.9454 1.9454 2.9769 2.9769 3.3851 3.3851 3.4714 3.4714 3.5398 3.5398 4.3791 4.3791 4.6056 4.6056 7.1544 7.1544 8.6216 8.6216 10.4788 10.4788 10.6315 10.6315 k = 0.5115 0.3226 0.0185 ( 4091 PWs) bands (ev): -20.9506 -20.9506 -20.9464 -20.9464 -8.0242 -8.0242 -7.8751 -7.8751 -7.2255 -7.2255 -7.0984 -7.0984 -5.7654 -5.7654 -5.6639 -5.6639 -5.5380 -5.5380 -5.4287 -5.4287 1.7940 1.7940 1.9387 1.9387 3.0018 3.0018 3.3553 3.3553 3.4619 3.4619 3.5241 3.5241 4.4049 4.4049 4.5995 4.5995 7.2323 7.2323 8.4951 8.4951 10.4986 10.4986 10.6347 10.6347 k = 0.5096 0.3214 0.0320 ( 4097 PWs) bands (ev): -20.9502 -20.9502 -20.9467 -20.9467 -8.0134 -8.0134 -7.8881 -7.8881 -7.2151 -7.2151 -7.1084 -7.1084 -5.7549 -5.7549 -5.6683 -5.6683 -5.5328 -5.5328 -5.4392 -5.4392 1.8086 1.8086 1.9310 1.9310 3.0275 3.0275 3.3241 3.3241 3.4556 3.4556 3.5094 3.5094 4.4294 4.4294 4.5920 4.5920 7.3151 7.3151 8.3710 8.3710 10.5187 10.5187 10.6357 10.6357 k = 0.5077 0.3202 0.0455 ( 4099 PWs) bands (ev): -20.9499 -20.9499 -20.9471 -20.9471 -8.0021 -8.0021 -7.9012 -7.9012 -7.2045 -7.2045 -7.1187 -7.1187 -5.7444 -5.7444 -5.6739 -5.6739 -5.5263 -5.5263 -5.4499 -5.4499 1.8232 1.8232 1.9224 1.9224 3.0541 3.0541 3.2924 3.2924 3.4519 3.4519 3.4960 3.4960 4.4527 4.4527 4.5829 4.5829 7.4026 7.4026 8.2496 8.2496 10.5383 10.5383 10.6342 10.6342 k = 0.5058 0.3190 0.0590 ( 4096 PWs) bands (ev): -20.9495 -20.9495 -20.9474 -20.9474 -7.9905 -7.9905 -7.9144 -7.9144 -7.1938 -7.1938 -7.1292 -7.1292 -5.7341 -5.7341 -5.6805 -5.6805 -5.5188 -5.5188 -5.4606 -5.4606 1.8377 1.8377 1.9127 1.9127 3.0815 3.0815 3.2608 3.2608 3.4503 3.4503 3.4840 3.4840 4.4745 4.4745 4.5723 4.5723 7.4946 7.4946 8.1312 8.1312 10.5571 10.5571 10.6302 10.6302 k = 0.5038 0.3178 0.0725 ( 4093 PWs) bands (ev): -20.9492 -20.9492 -20.9477 -20.9477 -7.9784 -7.9784 -7.9275 -7.9275 -7.1830 -7.1830 -7.1398 -7.1398 -5.7240 -5.7240 -5.6879 -5.6879 -5.5104 -5.5104 -5.4712 -5.4712 1.8518 1.8518 1.9022 1.9022 3.1097 3.1097 3.2295 3.2295 3.4510 3.4510 3.4737 3.4737 4.4948 4.4948 4.5601 4.5601 7.5909 7.5909 8.0159 8.0159 10.5745 10.5745 10.6238 10.6238 k = 0.5019 0.3166 0.0860 ( 4095 PWs) bands (ev): -20.9488 -20.9488 -20.9481 -20.9481 -7.9660 -7.9660 -7.9405 -7.9405 -7.1722 -7.1722 -7.1505 -7.1505 -5.7143 -5.7143 -5.6961 -5.6961 -5.5013 -5.5013 -5.4815 -5.4815 1.8654 1.8654 1.8907 1.8907 3.1387 3.1387 3.1986 3.1986 3.4537 3.4537 3.4651 3.4651 4.5136 4.5136 4.5462 4.5462 7.6914 7.6914 7.9041 7.9041 10.5901 10.5901 10.6149 10.6149 k = 0.5000 0.3154 0.0995 ( 4092 PWs) bands (ev): -20.9484 -20.9484 -20.9484 -20.9484 -7.9534 -7.9534 -7.9533 -7.9533 -7.1615 -7.1615 -7.1612 -7.1612 -5.7050 -5.7050 -5.7050 -5.7050 -5.4916 -5.4916 -5.4916 -5.4916 1.8783 1.8783 1.8786 1.8786 3.1682 3.1682 3.1685 3.1685 3.4583 3.4583 3.4585 3.4585 4.5306 4.5306 4.5308 4.5308 7.7958 7.7958 7.7959 7.7959 10.6035 10.6035 10.6037 10.6037 k = 0.5000 0.3154 0.0995 ( 4092 PWs) bands (ev): -20.9484 -20.9484 -20.9484 -20.9484 -7.9534 -7.9534 -7.9533 -7.9533 -7.1615 -7.1615 -7.1612 -7.1612 -5.7050 -5.7050 -5.7050 -5.7050 -5.4916 -5.4916 -5.4916 -5.4916 1.8783 1.8783 1.8786 1.8786 3.1682 3.1682 3.1685 3.1685 3.4583 3.4583 3.4585 3.4585 4.5306 4.5306 4.5308 4.5308 7.7958 7.7958 7.7959 7.7959 10.6035 10.6035 10.6037 10.6037 k = 0.5075 0.3035 0.0995 ( 4096 PWs) bands (ev): -20.9484 -20.9484 -20.9484 -20.9484 -7.9558 -7.9558 -7.9509 -7.9509 -7.1664 -7.1664 -7.1565 -7.1565 -5.7078 -5.7078 -5.7027 -5.7027 -5.4918 -5.4918 -5.4909 -5.4909 1.8774 1.8774 1.8786 1.8786 3.1661 3.1661 3.1717 3.1717 3.4569 3.4569 3.4613 3.4613 4.5297 4.5297 4.5305 4.5305 7.7985 7.7985 7.7988 7.7988 10.5955 10.5955 10.6003 10.6003 k = 0.5149 0.2917 0.0995 ( 4094 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -7.9580 -7.9580 -7.9483 -7.9483 -7.1716 -7.1716 -7.1518 -7.1518 -5.7113 -5.7113 -5.7011 -5.7011 -5.4915 -5.4915 -5.4896 -5.4896 1.8755 1.8755 1.8778 1.8778 3.1651 3.1651 3.1761 3.1761 3.4569 3.4569 3.4656 3.4656 4.5275 4.5275 4.5291 4.5291 7.8068 7.8068 7.8073 7.8073 10.5762 10.5762 10.5853 10.5853 k = 0.5224 0.2799 0.0995 ( 4094 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -7.9601 -7.9601 -7.9456 -7.9456 -7.1769 -7.1769 -7.1473 -7.1473 -5.7152 -5.7152 -5.7002 -5.7002 -5.4907 -5.4907 -5.4876 -5.4876 1.8727 1.8727 1.8762 1.8762 3.1652 3.1652 3.1813 3.1813 3.4584 3.4584 3.4712 3.4712 4.5242 4.5242 4.5266 4.5266 7.8207 7.8207 7.8214 7.8214 10.5463 10.5463 10.5589 10.5589 k = 0.5298 0.2681 0.0995 ( 4094 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -7.9622 -7.9622 -7.9428 -7.9428 -7.1824 -7.1824 -7.1431 -7.1431 -5.7196 -5.7196 -5.6999 -5.6999 -5.4895 -5.4895 -5.4852 -5.4852 1.8691 1.8691 1.8738 1.8738 3.1663 3.1663 3.1874 3.1874 3.4613 3.4613 3.4781 3.4781 4.5200 4.5200 4.5230 4.5230 7.8401 7.8401 7.8410 7.8410 10.5064 10.5064 10.5215 10.5215 k = 0.5373 0.2563 0.0995 ( 4098 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -7.9641 -7.9641 -7.9400 -7.9400 -7.1880 -7.1880 -7.1390 -7.1390 -5.7242 -5.7242 -5.7002 -5.7002 -5.4881 -5.4881 -5.4822 -5.4822 1.8648 1.8648 1.8708 1.8708 3.1686 3.1686 3.1940 3.1940 3.4656 3.4656 3.4860 3.4860 4.5150 4.5150 4.5184 4.5184 7.8649 7.8649 7.8660 7.8660 10.4577 10.4577 10.4742 10.4742 k = 0.5447 0.2445 0.0995 ( 4098 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -7.9659 -7.9659 -7.9371 -7.9371 -7.1936 -7.1936 -7.1351 -7.1351 -5.7290 -5.7290 -5.7010 -5.7010 -5.4866 -5.4866 -5.4789 -5.4789 1.8598 1.8598 1.8673 1.8673 3.1717 3.1717 3.2010 3.2010 3.4711 3.4711 3.4949 3.4949 4.5093 4.5093 4.5131 4.5131 7.8950 7.8950 7.8963 7.8963 10.4015 10.4015 10.4186 10.4186 k = 0.5522 0.2326 0.0995 ( 4104 PWs) bands (ev): -20.9486 -20.9486 -20.9486 -20.9486 -7.9676 -7.9676 -7.9341 -7.9341 -7.1993 -7.1993 -7.1313 -7.1313 -5.7338 -5.7338 -5.7022 -5.7022 -5.4849 -5.4849 -5.4752 -5.4752 1.8543 1.8543 1.8633 1.8633 3.1757 3.1757 3.2082 3.2082 3.4777 3.4777 3.5045 3.5045 4.5033 4.5033 4.5073 4.5073 7.9303 7.9303 7.9319 7.9319 10.3394 10.3394 10.3563 10.3563 k = 0.5596 0.2208 0.0995 ( 4110 PWs) bands (ev): -20.9486 -20.9486 -20.9486 -20.9486 -7.9692 -7.9692 -7.9311 -7.9311 -7.2050 -7.2050 -7.1278 -7.1278 -5.7386 -5.7386 -5.7037 -5.7037 -5.4832 -5.4832 -5.4713 -5.4713 1.8484 1.8484 1.8590 1.8590 3.1804 3.1804 3.2155 3.2155 3.4852 3.4852 3.5147 3.5147 4.4971 4.4971 4.5011 4.5011 7.9707 7.9707 7.9725 7.9725 10.2728 10.2728 10.2891 10.2891 k = 0.5671 0.2090 0.0995 ( 4112 PWs) bands (ev): -20.9486 -20.9486 -20.9486 -20.9486 -7.9708 -7.9708 -7.9280 -7.9280 -7.2107 -7.2107 -7.1244 -7.1244 -5.7432 -5.7432 -5.7054 -5.7054 -5.4817 -5.4817 -5.4672 -5.4672 1.8422 1.8422 1.8546 1.8546 3.1857 3.1857 3.2228 3.2228 3.4932 3.4932 3.5251 3.5251 4.4912 4.4912 4.4949 4.4949 8.0159 8.0159 8.0180 8.0180 10.2031 10.2031 10.2184 10.2184 k = 0.5745 0.1972 0.0995 ( 4110 PWs) bands (ev): -20.9487 -20.9487 -20.9487 -20.9487 -7.9722 -7.9722 -7.9250 -7.9250 -7.2162 -7.2162 -7.1211 -7.1211 -5.7476 -5.7476 -5.7073 -5.7073 -5.4802 -5.4802 -5.4631 -5.4631 1.8359 1.8359 1.8501 1.8501 3.1914 3.1914 3.2300 3.2300 3.5015 3.5015 3.5355 3.5355 4.4857 4.4857 4.4889 4.4889 8.0658 8.0658 8.0681 8.0681 10.1314 10.1314 10.1457 10.1457 k = 0.5820 0.1854 0.0995 ( 4108 PWs) bands (ev): -20.9488 -20.9488 -20.9488 -20.9488 -7.9737 -7.9737 -7.9220 -7.9220 -7.2217 -7.2217 -7.1180 -7.1180 -5.7516 -5.7516 -5.7091 -5.7091 -5.4790 -5.4790 -5.4590 -5.4590 1.8296 1.8296 1.8457 1.8457 3.1975 3.1975 3.2370 3.2370 3.5096 3.5096 3.5456 3.5456 4.4810 4.4810 4.4834 4.4834 8.1200 8.1200 8.1226 8.1226 10.0589 10.0589 10.0719 10.0719 k = 0.5894 0.1735 0.0995 ( 4108 PWs) bands (ev): -20.9489 -20.9489 -20.9489 -20.9489 -7.9750 -7.9750 -7.9190 -7.9190 -7.2270 -7.2270 -7.1149 -7.1149 -5.7552 -5.7552 -5.7108 -5.7108 -5.4781 -5.4781 -5.4550 -5.4550 1.8233 1.8233 1.8414 1.8414 3.2038 3.2038 3.2437 3.2437 3.5173 3.5173 3.5550 3.5550 4.4773 4.4773 4.4788 4.4788 8.1782 8.1782 8.1812 8.1812 9.9865 9.9865 9.9981 9.9981 k = 0.5969 0.1617 0.0995 ( 4100 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -7.9763 -7.9763 -7.9162 -7.9162 -7.2320 -7.2320 -7.1120 -7.1120 -5.7584 -5.7584 -5.7124 -5.7124 -5.4774 -5.4774 -5.4511 -5.4511 1.8173 1.8173 1.8375 1.8375 3.2104 3.2104 3.2503 3.2503 3.5240 3.5240 3.5635 3.5635 4.4750 4.4750 4.4753 4.4753 8.2399 8.2399 8.2434 8.2434 9.9151 9.9151 9.9253 9.9253 k = 0.6044 0.1499 0.0995 ( 4096 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -7.9775 -7.9775 -7.9134 -7.9134 -7.2369 -7.2369 -7.1091 -7.1091 -5.7610 -5.7610 -5.7139 -5.7139 -5.4770 -5.4770 -5.4474 -5.4474 1.8116 1.8116 1.8338 1.8338 3.2170 3.2170 3.2565 3.2565 3.5296 3.5296 3.5706 3.5706 4.4729 4.4729 4.4744 4.4744 8.3047 8.3047 8.3086 8.3086 9.8457 9.8457 9.8543 9.8543 k = 0.6118 0.1381 0.0995 ( 4100 PWs) bands (ev): -20.9493 -20.9493 -20.9493 -20.9493 -7.9788 -7.9788 -7.9107 -7.9107 -7.2414 -7.2414 -7.1063 -7.1063 -5.7630 -5.7630 -5.7150 -5.7150 -5.4769 -5.4769 -5.4439 -5.4439 1.8062 1.8062 1.8306 1.8306 3.2238 3.2238 3.2626 3.2626 3.5337 3.5337 3.5763 3.5763 4.4722 4.4722 4.4754 4.4754 8.3716 8.3716 8.3761 8.3761 9.7792 9.7792 9.7863 9.7863 k = 0.6193 0.1263 0.0995 ( 4096 PWs) bands (ev): -20.9494 -20.9494 -20.9494 -20.9494 -7.9799 -7.9799 -7.9082 -7.9082 -7.2457 -7.2457 -7.1036 -7.1036 -5.7644 -5.7644 -5.7158 -5.7158 -5.4772 -5.4772 -5.4406 -5.4406 1.8012 1.8012 1.8278 1.8278 3.2306 3.2306 3.2684 3.2684 3.5361 3.5361 3.5802 3.5802 4.4731 4.4731 4.4782 4.4782 8.4398 8.4398 8.4451 8.4451 9.7169 9.7169 9.7222 9.7222 k = 0.6267 0.1144 0.0995 ( 4096 PWs) bands (ev): -20.9496 -20.9496 -20.9496 -20.9496 -7.9810 -7.9810 -7.9058 -7.9058 -7.2496 -7.2496 -7.1009 -7.1009 -5.7651 -5.7651 -5.7163 -5.7163 -5.4778 -5.4778 -5.4376 -5.4376 1.7967 1.7967 1.8255 1.8255 3.2374 3.2374 3.2740 3.2740 3.5368 3.5368 3.5823 3.5823 4.4756 4.4756 4.4827 4.4827 8.5079 8.5079 8.5141 8.5141 9.6602 9.6602 9.6637 9.6637 k = 0.6342 0.1026 0.0995 ( 4098 PWs) bands (ev): -20.9498 -20.9498 -20.9498 -20.9498 -7.9821 -7.9821 -7.9035 -7.9035 -7.2531 -7.2531 -7.0982 -7.0982 -5.7652 -5.7652 -5.7164 -5.7164 -5.4786 -5.4786 -5.4349 -5.4349 1.7927 1.7927 1.8236 1.8236 3.2441 3.2441 3.2793 3.2793 3.5358 3.5358 3.5826 3.5826 4.4796 4.4796 4.4889 4.4889 8.5739 8.5739 8.5812 8.5812 9.6111 9.6111 9.6126 9.6126 k = 0.6416 0.0908 0.0995 ( 4096 PWs) bands (ev): -20.9501 -20.9501 -20.9501 -20.9501 -7.9832 -7.9832 -7.9014 -7.9014 -7.2563 -7.2563 -7.0955 -7.0955 -5.7646 -5.7646 -5.7161 -5.7161 -5.4798 -5.4798 -5.4323 -5.4323 1.7891 1.7891 1.8223 1.8223 3.2508 3.2508 3.2845 3.2845 3.5332 3.5332 3.5812 3.5812 4.4851 4.4851 4.4965 4.4965 8.6352 8.6352 8.6438 8.6438 9.5717 9.5717 9.5723 9.5723 k = 0.6491 0.0790 0.0995 ( 4100 PWs) bands (ev): -20.9504 -20.9504 -20.9504 -20.9504 -7.9841 -7.9841 -7.8995 -7.8995 -7.2590 -7.2590 -7.0929 -7.0929 -5.7633 -5.7633 -5.7154 -5.7154 -5.4812 -5.4812 -5.4300 -5.4300 1.7860 1.7860 1.8213 1.8213 3.2575 3.2575 3.2894 3.2894 3.5292 3.5292 3.5782 3.5782 4.4918 4.4918 4.5054 4.5054 8.6883 8.6883 8.6985 8.6985 9.5442 9.5442 9.5471 9.5471 k = 0.6565 0.0672 0.0995 ( 4098 PWs) bands (ev): -20.9507 -20.9507 -20.9507 -20.9507 -7.9850 -7.9850 -7.8978 -7.8978 -7.2613 -7.2613 -7.0902 -7.0902 -5.7614 -5.7614 -5.7142 -5.7142 -5.4827 -5.4827 -5.4279 -5.4279 1.7834 1.7834 1.8207 1.8207 3.2641 3.2641 3.2940 3.2940 3.5240 3.5240 3.5737 3.5737 4.4994 4.4994 4.5151 4.5151 8.7295 8.7295 8.7412 8.7412 9.5342 9.5342 9.5393 9.5393 k = 0.6640 0.0554 0.0995 ( 4100 PWs) bands (ev): -20.9511 -20.9511 -20.9511 -20.9511 -7.9859 -7.9859 -7.8962 -7.8962 -7.2631 -7.2631 -7.0876 -7.0876 -5.7588 -5.7588 -5.7127 -5.7127 -5.4845 -5.4845 -5.4259 -5.4259 1.7812 1.7812 1.8205 1.8205 3.2707 3.2707 3.2984 3.2984 3.5181 3.5181 3.5682 3.5682 4.5076 4.5076 4.5252 4.5252 8.7554 8.7554 8.7682 8.7682 9.5451 9.5451 9.5520 9.5520 k = 0.6714 0.0435 0.0995 ( 4102 PWs) bands (ev): -20.9514 -20.9514 -20.9514 -20.9514 -7.9866 -7.9866 -7.8948 -7.8948 -7.2646 -7.2646 -7.0850 -7.0850 -5.7555 -5.7555 -5.7107 -5.7107 -5.4863 -5.4863 -5.4241 -5.4241 1.7794 1.7794 1.8205 1.8205 3.2772 3.2772 3.3025 3.3025 3.5117 3.5117 3.5618 3.5618 4.5160 4.5160 4.5355 4.5355 8.7646 8.7646 8.7781 8.7781 9.5782 9.5782 9.5863 9.5863 k = 0.3286-0.5209 0.2887 ( 4102 PWs) bands (ev): -20.9514 -20.9514 -20.9514 -20.9514 -7.9866 -7.9866 -7.8948 -7.8948 -7.2646 -7.2646 -7.0850 -7.0850 -5.7555 -5.7555 -5.7107 -5.7107 -5.4863 -5.4863 -5.4241 -5.4241 1.7794 1.7794 1.8205 1.8205 3.2772 3.2772 3.3025 3.3025 3.5117 3.5117 3.5618 3.5618 4.5160 4.5160 4.5355 4.5355 8.7646 8.7646 8.7781 8.7781 9.5782 9.5782 9.5863 9.5863 k = 0.3211-0.5091 0.2887 ( 4102 PWs) bands (ev): -20.9519 -20.9519 -20.9519 -20.9519 -7.9873 -7.9873 -7.8935 -7.8935 -7.2656 -7.2656 -7.0825 -7.0825 -5.7516 -5.7516 -5.7082 -5.7082 -5.4882 -5.4882 -5.4224 -5.4224 1.7778 1.7778 1.8208 1.8208 3.2837 3.2837 3.3064 3.3064 3.5052 3.5052 3.5548 3.5548 4.5243 4.5243 4.5455 4.5455 8.7586 8.7586 8.7721 8.7721 9.6320 9.6320 9.6407 9.6407 k = 0.3136-0.4972 0.2887 ( 4102 PWs) bands (ev): -20.9523 -20.9523 -20.9523 -20.9523 -7.9878 -7.9878 -7.8924 -7.8924 -7.2662 -7.2662 -7.0800 -7.0800 -5.7471 -5.7471 -5.7054 -5.7054 -5.4900 -5.4900 -5.4207 -5.4207 1.7765 1.7765 1.8211 1.8211 3.2901 3.2901 3.3100 3.3100 3.4989 3.4989 3.5477 3.5477 4.5321 4.5321 4.5548 4.5548 8.7405 8.7405 8.7536 8.7536 9.7028 9.7028 9.7116 9.7116 k = 0.3062-0.4854 0.2887 ( 4100 PWs) bands (ev): -20.9528 -20.9528 -20.9528 -20.9528 -7.9882 -7.9882 -7.8914 -7.8914 -7.2664 -7.2664 -7.0775 -7.0775 -5.7421 -5.7421 -5.7021 -5.7021 -5.4918 -5.4918 -5.4190 -5.4190 1.7754 1.7754 1.8214 1.8214 3.2967 3.2967 3.3134 3.3134 3.4931 3.4931 3.5405 3.5405 4.5391 4.5391 4.5632 4.5632 8.7137 8.7137 8.7263 8.7263 9.7865 9.7865 9.7951 9.7951 k = 0.2987-0.4736 0.2887 ( 4102 PWs) bands (ev): -20.9534 -20.9534 -20.9534 -20.9534 -7.9885 -7.9885 -7.8904 -7.8904 -7.2663 -7.2663 -7.0751 -7.0751 -5.7366 -5.7366 -5.6985 -5.6985 -5.4934 -5.4934 -5.4174 -5.4174 1.7743 1.7743 1.8216 1.8216 3.3033 3.3033 3.3167 3.3167 3.4880 3.4880 3.5336 3.5336 4.5449 4.5449 4.5702 4.5702 8.6813 8.6813 8.6932 8.6932 9.8793 9.8793 9.8875 9.8875 k = 0.2912-0.4617 0.2887 ( 4102 PWs) bands (ev): -20.9539 -20.9539 -20.9539 -20.9539 -7.9887 -7.9887 -7.8896 -7.8896 -7.2658 -7.2658 -7.0728 -7.0728 -5.7306 -5.7306 -5.6944 -5.6944 -5.4948 -5.4948 -5.4156 -5.4156 1.7733 1.7733 1.8216 1.8216 3.3102 3.3102 3.3200 3.3200 3.4838 3.4838 3.5271 3.5271 4.5493 4.5493 4.5756 4.5756 8.6454 8.6454 8.6568 8.6568 9.9780 9.9780 9.9858 9.9858 k = 0.2838-0.4499 0.2887 ( 4104 PWs) bands (ev): -20.9546 -20.9546 -20.9546 -20.9546 -7.9886 -7.9886 -7.8889 -7.8889 -7.2649 -7.2649 -7.0706 -7.0706 -5.7241 -5.7241 -5.6901 -5.6901 -5.4959 -5.4959 -5.4138 -5.4138 1.7722 1.7722 1.8214 1.8214 3.3173 3.3173 3.3235 3.3235 3.4806 3.4806 3.5213 3.5213 4.5520 4.5520 4.5792 4.5792 8.6077 8.6077 8.6187 8.6187 10.0800 10.0800 10.0875 10.0875 k = 0.2763-0.4380 0.2887 ( 4108 PWs) bands (ev): -20.9552 -20.9552 -20.9552 -20.9552 -7.9884 -7.9884 -7.8881 -7.8881 -7.2638 -7.2638 -7.0686 -7.0686 -5.7174 -5.7174 -5.6853 -5.6853 -5.4966 -5.4966 -5.4119 -5.4119 1.7709 1.7709 1.8207 1.8207 3.3248 3.3248 3.3273 3.3273 3.4784 3.4784 3.5160 3.5160 4.5529 4.5529 4.5808 4.5808 8.5693 8.5693 8.5799 8.5799 10.1824 10.1824 10.1897 10.1897 k = 0.2688-0.4262 0.2887 ( 4114 PWs) bands (ev): -20.9559 -20.9559 -20.9559 -20.9559 -7.9880 -7.9880 -7.8875 -7.8875 -7.2623 -7.2623 -7.0666 -7.0666 -5.7103 -5.7103 -5.6803 -5.6803 -5.4969 -5.4969 -5.4098 -5.4098 1.7694 1.7694 1.8196 1.8196 3.3317 3.3317 3.3328 3.3328 3.4772 3.4772 3.5115 3.5115 4.5519 4.5519 4.5802 4.5802 8.5310 8.5310 8.5413 8.5413 10.2818 10.2818 10.2892 10.2892 k = 0.2614-0.4144 0.2887 ( 4110 PWs) bands (ev): -20.9566 -20.9566 -20.9566 -20.9566 -7.9874 -7.9874 -7.8868 -7.8868 -7.2606 -7.2606 -7.0648 -7.0648 -5.7030 -5.7030 -5.6749 -5.6749 -5.4968 -5.4968 -5.4075 -5.4075 1.7677 1.7677 1.8181 1.8181 3.3368 3.3368 3.3415 3.3415 3.4769 3.4769 3.5078 3.5078 4.5488 4.5488 4.5775 4.5775 8.4933 8.4933 8.5034 8.5034 10.3721 10.3721 10.3807 10.3807 k = 0.2539-0.4025 0.2887 ( 4108 PWs) bands (ev): -20.9574 -20.9574 -20.9574 -20.9574 -7.9866 -7.9866 -7.8862 -7.8862 -7.2586 -7.2586 -7.0631 -7.0631 -5.6955 -5.6955 -5.6693 -5.6693 -5.4960 -5.4960 -5.4051 -5.4051 1.7657 1.7657 1.8160 1.8160 3.3428 3.3428 3.3508 3.3508 3.4773 3.4773 3.5047 3.5047 4.5437 4.5437 4.5725 4.5725 8.4565 8.4565 8.4665 8.4665 10.4417 10.4417 10.4545 10.4545 k = 0.2464-0.3907 0.2887 ( 4102 PWs) bands (ev): -20.9582 -20.9582 -20.9582 -20.9582 -7.9856 -7.9856 -7.8855 -7.8855 -7.2564 -7.2564 -7.0616 -7.0616 -5.6880 -5.6880 -5.6634 -5.6634 -5.4947 -5.4947 -5.4024 -5.4024 1.7634 1.7634 1.8133 1.8133 3.3497 3.3497 3.3609 3.3609 3.4786 3.4786 3.5023 3.5023 4.5366 4.5366 4.5653 4.5653 8.4211 8.4211 8.4311 8.4311 10.4756 10.4756 10.4964 10.4964 k = 0.2389-0.3789 0.2887 ( 4100 PWs) bands (ev): -20.9590 -20.9590 -20.9590 -20.9590 -7.9845 -7.9845 -7.8849 -7.8849 -7.2539 -7.2539 -7.0602 -7.0602 -5.6804 -5.6804 -5.6573 -5.6573 -5.4927 -5.4927 -5.3995 -5.3995 1.7609 1.7609 1.8102 1.8102 3.3576 3.3576 3.3717 3.3717 3.4805 3.4805 3.5004 3.5004 4.5274 4.5274 4.5559 4.5559 8.3871 8.3871 8.3973 8.3973 10.4746 10.4746 10.5022 10.5022 k = 0.2315-0.3670 0.2887 ( 4106 PWs) bands (ev): -20.9599 -20.9599 -20.9599 -20.9599 -7.9831 -7.9831 -7.8843 -7.8843 -7.2513 -7.2513 -7.0590 -7.0590 -5.6728 -5.6728 -5.6509 -5.6509 -5.4900 -5.4900 -5.3965 -5.3965 1.7580 1.7580 1.8065 1.8065 3.3664 3.3664 3.3832 3.3832 3.4831 3.4831 3.4992 3.4992 4.5165 4.5165 4.5445 4.5445 8.3549 8.3549 8.3652 8.3652 10.4520 10.4520 10.4832 10.4832 k = 0.2240-0.3552 0.2887 ( 4104 PWs) bands (ev): -20.9608 -20.9608 -20.9608 -20.9608 -7.9815 -7.9815 -7.8836 -7.8836 -7.2484 -7.2484 -7.0580 -7.0580 -5.6653 -5.6653 -5.6444 -5.6444 -5.4866 -5.4866 -5.3932 -5.3932 1.7548 1.7548 1.8023 1.8023 3.3757 3.3757 3.3952 3.3952 3.4865 3.4865 3.4985 3.4985 4.5038 4.5038 4.5312 4.5312 8.3246 8.3246 8.3351 8.3351 10.4161 10.4161 10.4487 10.4487 k = 0.2165-0.3433 0.2887 ( 4110 PWs) bands (ev): -20.9617 -20.9617 -20.9617 -20.9617 -7.9797 -7.9797 -7.8830 -7.8830 -7.2453 -7.2453 -7.0572 -7.0572 -5.6578 -5.6578 -5.6376 -5.6376 -5.4826 -5.4826 -5.3897 -5.3897 1.7515 1.7515 1.7977 1.7977 3.3853 3.3853 3.4074 3.4074 3.4908 3.4908 3.4986 3.4986 4.4897 4.4897 4.5162 4.5162 8.2963 8.2963 8.3071 8.3071 10.3705 10.3705 10.4030 10.4030 k = 0.2091-0.3315 0.2887 ( 4106 PWs) bands (ev): -20.9627 -20.9627 -20.9627 -20.9627 -7.9778 -7.9778 -7.8823 -7.8823 -7.2421 -7.2421 -7.0565 -7.0565 -5.6504 -5.6504 -5.6307 -5.6307 -5.4779 -5.4779 -5.3861 -5.3861 1.7480 1.7480 1.7929 1.7929 3.3947 3.3947 3.4191 3.4191 3.4963 3.4963 3.4999 3.4999 4.4743 4.4743 4.4999 4.4999 8.2702 8.2702 8.2813 8.2813 10.3167 10.3167 10.3483 10.3483 k = 0.2016-0.3197 0.2887 ( 4102 PWs) bands (ev): -20.9636 -20.9636 -20.9636 -20.9636 -7.9757 -7.9757 -7.8817 -7.8817 -7.2386 -7.2386 -7.0560 -7.0560 -5.6432 -5.6432 -5.6236 -5.6236 -5.4726 -5.4726 -5.3823 -5.3823 1.7444 1.7444 1.7878 1.7878 3.4031 3.4031 3.4295 3.4295 3.5028 3.5028 3.5033 3.5033 4.4580 4.4580 4.4824 4.4824 8.2463 8.2463 8.2578 8.2578 10.2561 10.2561 10.2859 10.2859 k = 0.1941-0.3078 0.2887 ( 4102 PWs) bands (ev): -20.9646 -20.9646 -20.9646 -20.9646 -7.9734 -7.9734 -7.8812 -7.8812 -7.2349 -7.2349 -7.0556 -7.0556 -5.6360 -5.6360 -5.6164 -5.6164 -5.4667 -5.4667 -5.3785 -5.3785 1.7408 1.7408 1.7826 1.7826 3.4100 3.4100 3.4374 3.4374 3.5083 3.5083 3.5122 3.5122 4.4412 4.4412 4.4642 4.4642 8.2248 8.2248 8.2367 8.2367 10.1897 10.1897 10.2174 10.2174 k = 0.1867-0.2960 0.2887 ( 4094 PWs) bands (ev): -20.9656 -20.9656 -20.9656 -20.9656 -7.9711 -7.9711 -7.8807 -7.8807 -7.2311 -7.2311 -7.0554 -7.0554 -5.6289 -5.6289 -5.6090 -5.6090 -5.4604 -5.4604 -5.3745 -5.3745 1.7373 1.7373 1.7773 1.7773 3.4148 3.4148 3.4419 3.4419 3.5169 3.5169 3.5229 3.5229 4.4242 4.4242 4.4457 4.4457 8.2058 8.2058 8.2181 8.2181 10.1187 10.1187 10.1441 10.1441 k = 0.1792-0.2841 0.2887 ( 4102 PWs) bands (ev): -20.9666 -20.9666 -20.9666 -20.9666 -7.9685 -7.9685 -7.8802 -7.8802 -7.2270 -7.2270 -7.0553 -7.0553 -5.6218 -5.6218 -5.6015 -5.6015 -5.4536 -5.4536 -5.3706 -5.3706 1.7340 1.7340 1.7722 1.7722 3.4172 3.4172 3.4428 3.4428 3.5283 3.5283 3.5353 3.5353 4.4075 4.4075 4.4272 4.4272 8.1893 8.1893 8.2021 8.2021 10.0444 10.0444 10.0674 10.0674 k = 0.1717-0.2723 0.2887 ( 4102 PWs) bands (ev): -20.9676 -20.9676 -20.9676 -20.9676 -7.9659 -7.9659 -7.8798 -7.8798 -7.2227 -7.2227 -7.0553 -7.0553 -5.6147 -5.6147 -5.5939 -5.5939 -5.4466 -5.4466 -5.3667 -5.3667 1.7310 1.7310 1.7673 1.7673 3.4174 3.4174 3.4407 3.4407 3.5415 3.5415 3.5490 3.5490 4.3915 4.3915 4.4093 4.4093 8.1753 8.1753 8.1886 8.1886 9.9678 9.9678 9.9886 9.9886 k = 0.1643-0.2605 0.2887 ( 4104 PWs) bands (ev): -20.9686 -20.9686 -20.9686 -20.9686 -7.9633 -7.9633 -7.8796 -7.8796 -7.2182 -7.2182 -7.0555 -7.0555 -5.6076 -5.6076 -5.5862 -5.5862 -5.4394 -5.4394 -5.3629 -5.3629 1.7283 1.7283 1.7627 1.7627 3.4153 3.4153 3.4360 3.4360 3.5555 3.5555 3.5632 3.5632 4.3767 4.3767 4.3924 4.3924 8.1640 8.1640 8.1777 8.1777 9.8899 9.8899 9.9087 9.9087 k = 0.1568-0.2486 0.2887 ( 4108 PWs) bands (ev): -20.9696 -20.9696 -20.9696 -20.9696 -7.9605 -7.9605 -7.8794 -7.8794 -7.2134 -7.2134 -7.0557 -7.0557 -5.6004 -5.6004 -5.5784 -5.5784 -5.4322 -5.4322 -5.3593 -5.3593 1.7260 1.7260 1.7584 1.7584 3.4112 3.4112 3.4292 3.4292 3.5695 3.5695 3.5775 3.5775 4.3635 4.3635 4.3772 4.3772 8.1553 8.1553 8.1694 8.1694 9.8118 9.8118 9.8287 9.8287 k = 0.1493-0.2368 0.2887 ( 4118 PWs) bands (ev): -20.9706 -20.9706 -20.9706 -20.9706 -7.9577 -7.9577 -7.8794 -7.8794 -7.2085 -7.2085 -7.0561 -7.0561 -5.5932 -5.5932 -5.5705 -5.5705 -5.4249 -5.4249 -5.3558 -5.3558 1.7243 1.7243 1.7547 1.7547 3.4049 3.4049 3.4204 3.4204 3.5829 3.5829 3.5912 3.5912 4.3525 4.3525 4.3640 4.3640 8.1491 8.1491 8.1637 8.1637 9.7343 9.7343 9.7496 9.7496 k = 0.1419-0.2249 0.2887 ( 4118 PWs) bands (ev): -20.9716 -20.9716 -20.9716 -20.9716 -7.9549 -7.9549 -7.8795 -7.8795 -7.2033 -7.2033 -7.0566 -7.0566 -5.5858 -5.5858 -5.5626 -5.5626 -5.4177 -5.4177 -5.3526 -5.3526 1.7230 1.7230 1.7515 1.7515 3.3967 3.3967 3.4097 3.4097 3.5953 3.5953 3.6038 3.6038 4.3441 4.3441 4.3535 4.3535 8.1455 8.1455 8.1606 8.1606 9.6581 9.6581 9.6719 9.6719 k = 0.1344-0.2131 0.2887 ( 4120 PWs) bands (ev): -20.9726 -20.9726 -20.9726 -20.9726 -7.9520 -7.9520 -7.8797 -7.8797 -7.1980 -7.1980 -7.0572 -7.0572 -5.5784 -5.5784 -5.5546 -5.5546 -5.4108 -5.4108 -5.3496 -5.3496 1.7224 1.7224 1.7490 1.7490 3.3866 3.3866 3.3972 3.3972 3.6063 3.6063 3.6150 3.6150 4.3385 4.3385 4.3458 4.3458 8.1444 8.1444 8.1598 8.1598 9.5839 9.5839 9.5964 9.5964 k = 0.1269-0.2013 0.2887 ( 4122 PWs) bands (ev): -20.9735 -20.9735 -20.9735 -20.9735 -7.9491 -7.9491 -7.8801 -7.8801 -7.1925 -7.1925 -7.0579 -7.0579 -5.5707 -5.5707 -5.5466 -5.5466 -5.4041 -5.4041 -5.3470 -5.3470 1.7224 1.7224 1.7471 1.7471 3.3746 3.3746 3.3829 3.3829 3.6157 3.6157 3.6245 3.6245 4.3359 4.3359 4.3412 4.3412 8.1456 8.1456 8.1613 8.1613 9.5122 9.5122 9.5236 9.5236 k = 0.1195-0.1894 0.2887 ( 4132 PWs) bands (ev): -20.9745 -20.9745 -20.9745 -20.9745 -7.9463 -7.9463 -7.8807 -7.8807 -7.1868 -7.1868 -7.0587 -7.0587 -5.5630 -5.5630 -5.5387 -5.5387 -5.3978 -5.3978 -5.3448 -5.3448 1.7231 1.7231 1.7459 1.7459 3.3608 3.3608 3.3669 3.3669 3.6234 3.6234 3.6322 3.6322 4.3363 4.3363 4.3399 4.3399 8.1490 8.1490 8.1649 8.1649 9.4436 9.4436 9.4540 9.4540 k = 0.1120-0.1776 0.2887 ( 4132 PWs) bands (ev): -20.9754 -20.9754 -20.9754 -20.9754 -7.9435 -7.9435 -7.8814 -7.8814 -7.1809 -7.1809 -7.0596 -7.0596 -5.5552 -5.5552 -5.5308 -5.5308 -5.3919 -5.3919 -5.3430 -5.3430 1.7244 1.7244 1.7454 1.7454 3.3453 3.3453 3.3495 3.3495 3.6295 3.6295 3.6381 3.6381 4.3396 4.3396 4.3418 4.3418 8.1543 8.1543 8.1704 8.1704 9.3785 9.3785 9.3879 9.3879 k = 0.1045-0.1657 0.2887 ( 4130 PWs) bands (ev): -20.9762 -20.9762 -20.9762 -20.9762 -7.9407 -7.9407 -7.8822 -7.8822 -7.1750 -7.1750 -7.0606 -7.0606 -5.5472 -5.5472 -5.5229 -5.5229 -5.3864 -5.3864 -5.3416 -5.3416 1.7264 1.7264 1.7455 1.7455 3.3283 3.3283 3.3307 3.3307 3.6341 3.6341 3.6423 3.6423 4.3456 4.3456 4.3467 4.3467 8.1614 8.1614 8.1776 8.1776 9.3173 9.3173 9.3259 9.3259 k = 0.0971-0.1539 0.2887 ( 4124 PWs) bands (ev): -20.9770 -20.9770 -20.9770 -20.9770 -7.9379 -7.9379 -7.8832 -7.8832 -7.1689 -7.1689 -7.0618 -7.0618 -5.5392 -5.5392 -5.5152 -5.5152 -5.3814 -5.3814 -5.3406 -5.3406 1.7289 1.7289 1.7463 1.7463 3.3100 3.3100 3.3109 3.3109 3.6374 3.6374 3.6450 3.6450 4.3540 4.3540 4.3542 4.3542 8.1699 8.1699 8.1860 8.1860 9.2604 9.2604 9.2682 9.2682 k = 0.0896-0.1421 0.2887 ( 4120 PWs) bands (ev): -20.9778 -20.9778 -20.9778 -20.9778 -7.9352 -7.9352 -7.8844 -7.8844 -7.1628 -7.1628 -7.0631 -7.0631 -5.5311 -5.5311 -5.5076 -5.5076 -5.3770 -5.3770 -5.3401 -5.3401 1.7320 1.7320 1.7478 1.7478 3.2903 3.2903 3.2908 3.2908 3.6394 3.6394 3.6464 3.6464 4.3637 4.3637 4.3642 4.3642 8.1794 8.1794 8.1954 8.1954 9.2080 9.2080 9.2151 9.2151 k = 0.0821-0.1302 0.2887 ( 4124 PWs) bands (ev): -20.9785 -20.9785 -20.9785 -20.9785 -7.9325 -7.9325 -7.8856 -7.8856 -7.1567 -7.1567 -7.0646 -7.0646 -5.5231 -5.5231 -5.5002 -5.5002 -5.3731 -5.3731 -5.3401 -5.3401 1.7356 1.7356 1.7497 1.7497 3.2694 3.2694 3.2709 3.2709 3.6406 3.6406 3.6469 3.6469 4.3748 4.3748 4.3758 4.3758 8.1898 8.1898 8.2053 8.2053 9.1605 9.1605 9.1668 9.1668 k = 0.0747-0.1184 0.2887 ( 4126 PWs) bands (ev): -20.9792 -20.9792 -20.9792 -20.9792 -7.9299 -7.9299 -7.8871 -7.8871 -7.1505 -7.1505 -7.0663 -7.0663 -5.5151 -5.5151 -5.4932 -5.4932 -5.3697 -5.3697 -5.3405 -5.3405 1.7395 1.7395 1.7520 1.7520 3.2485 3.2485 3.2507 3.2507 3.6411 3.6411 3.6466 3.6466 4.3870 4.3870 4.3883 4.3883 8.2005 8.2005 8.2155 8.2155 9.1181 9.1181 9.1236 9.1236 k = 0.0672-0.1066 0.2887 ( 4128 PWs) bands (ev): -20.9798 -20.9798 -20.9798 -20.9798 -7.9273 -7.9273 -7.8886 -7.8886 -7.1444 -7.1444 -7.0682 -7.0682 -5.5072 -5.5072 -5.4864 -5.4864 -5.3669 -5.3669 -5.3413 -5.3413 1.7437 1.7437 1.7547 1.7547 3.2279 3.2279 3.2308 3.2308 3.6410 3.6410 3.6458 3.6458 4.3998 4.3998 4.4012 4.4012 8.2112 8.2112 8.2254 8.2254 9.0808 9.0808 9.0856 9.0856 k = 0.0597-0.0947 0.2887 ( 4128 PWs) bands (ev): -20.9804 -20.9804 -20.9804 -20.9804 -7.9248 -7.9248 -7.8902 -7.8902 -7.1383 -7.1383 -7.0702 -7.0702 -5.4995 -5.4995 -5.4801 -5.4801 -5.3646 -5.3646 -5.3425 -5.3425 1.7480 1.7480 1.7576 1.7576 3.2082 3.2082 3.2114 3.2114 3.6406 3.6406 3.6447 3.6447 4.4126 4.4126 4.4141 4.4141 8.2215 8.2215 8.2348 8.2348 9.0487 9.0487 9.0528 9.0528 k = 0.0523-0.0829 0.2887 ( 4124 PWs) bands (ev): -20.9809 -20.9809 -20.9809 -20.9809 -7.9223 -7.9223 -7.8920 -7.8920 -7.1324 -7.1324 -7.0725 -7.0725 -5.4921 -5.4921 -5.4744 -5.4744 -5.3628 -5.3628 -5.3441 -5.3441 1.7524 1.7524 1.7606 1.7606 3.1898 3.1898 3.1930 3.1930 3.6400 3.6400 3.6434 3.6434 4.4251 4.4251 4.4264 4.4264 8.2312 8.2312 8.2433 8.2433 9.0218 9.0218 9.0251 9.0251 k = 0.0448-0.0710 0.2887 ( 4126 PWs) bands (ev): -20.9814 -20.9814 -20.9814 -20.9814 -7.9199 -7.9199 -7.8938 -7.8938 -7.1266 -7.1266 -7.0751 -7.0751 -5.4851 -5.4851 -5.4692 -5.4692 -5.3614 -5.3614 -5.3458 -5.3458 1.7566 1.7566 1.7635 1.7635 3.1729 3.1729 3.1761 3.1761 3.6393 3.6393 3.6421 3.6421 4.4367 4.4367 4.4379 4.4379 8.2399 8.2399 8.2506 8.2506 8.9999 8.9999 9.0025 9.0025 k = 0.0373-0.0592 0.2887 ( 4126 PWs) bands (ev): -20.9818 -20.9818 -20.9818 -20.9818 -7.9175 -7.9175 -7.8957 -7.8957 -7.1209 -7.1209 -7.0779 -7.0779 -5.4785 -5.4785 -5.4648 -5.4648 -5.3603 -5.3603 -5.3477 -5.3477 1.7605 1.7605 1.7662 1.7662 3.1581 3.1581 3.1610 3.1610 3.6385 3.6385 3.6408 3.6408 4.4471 4.4471 4.4482 4.4482 8.2474 8.2474 8.2566 8.2566 8.9825 8.9825 8.9844 8.9844 k = 0.0299-0.0474 0.2887 ( 4122 PWs) bands (ev): -20.9821 -20.9821 -20.9821 -20.9821 -7.9151 -7.9151 -7.8977 -7.8977 -7.1155 -7.1155 -7.0809 -7.0809 -5.4726 -5.4726 -5.4613 -5.4613 -5.3594 -5.3594 -5.3497 -5.3497 1.7640 1.7640 1.7685 1.7685 3.1455 3.1455 3.1480 3.1480 3.6379 3.6379 3.6397 3.6397 4.4561 4.4561 4.4569 4.4569 8.2537 8.2537 8.2613 8.2613 8.9693 8.9693 8.9707 8.9707 k = 0.0224-0.0355 0.2887 ( 4120 PWs) bands (ev): -20.9823 -20.9823 -20.9823 -20.9823 -7.9128 -7.9128 -7.8997 -7.8997 -7.1102 -7.1102 -7.0843 -7.0843 -5.4675 -5.4675 -5.4587 -5.4587 -5.3587 -5.3587 -5.3516 -5.3516 1.7670 1.7670 1.7704 1.7704 3.1355 3.1355 3.1375 3.1375 3.6374 3.6374 3.6387 3.6387 4.4633 4.4633 4.4640 4.4640 8.2588 8.2588 8.2645 8.2645 8.9598 8.9598 8.9607 8.9607 k = 0.0149-0.0237 0.2887 ( 4120 PWs) bands (ev): -20.9825 -20.9825 -20.9825 -20.9825 -7.9105 -7.9105 -7.9018 -7.9018 -7.1052 -7.1052 -7.0879 -7.0879 -5.4632 -5.4632 -5.4572 -5.4572 -5.3580 -5.3580 -5.3534 -5.3534 1.7694 1.7694 1.7716 1.7716 3.1284 3.1284 3.1297 3.1297 3.6371 3.6371 3.6379 3.6379 4.4686 4.4686 4.4691 4.4691 8.2627 8.2627 8.2665 8.2665 8.9534 8.9534 8.9540 8.9540 k = 0.0075-0.0118 0.2887 ( 4130 PWs) bands (ev): -20.9826 -20.9826 -20.9826 -20.9826 -7.9083 -7.9083 -7.9039 -7.9039 -7.1005 -7.1005 -7.0918 -7.0918 -5.4600 -5.4600 -5.4569 -5.4569 -5.3572 -5.3572 -5.3549 -5.3549 1.7711 1.7711 1.7722 1.7722 3.1241 3.1241 3.1248 3.1248 3.6369 3.6369 3.6374 3.6374 4.4719 4.4719 4.4722 4.4722 8.2653 8.2653 8.2673 8.2673 8.9498 8.9498 8.9501 8.9501 k = 0.0000 0.0000 0.2887 ( 4134 PWs) bands (ev): -20.9826 -20.9826 -20.9826 -20.9826 -7.9061 -7.9061 -7.9060 -7.9060 -7.0961 -7.0961 -7.0959 -7.0959 -5.4578 -5.4578 -5.4578 -5.4578 -5.3562 -5.3562 -5.3561 -5.3561 1.7719 1.7719 1.7721 1.7721 3.1228 3.1228 3.1230 3.1230 3.6369 3.6369 3.6372 3.6372 4.4731 4.4731 4.4732 4.4732 8.2668 8.2668 8.2669 8.2669 8.9486 8.9486 8.9488 8.9488 k = 0.0000 0.0000 0.2887 ( 4134 PWs) bands (ev): -20.9826 -20.9826 -20.9826 -20.9826 -7.9061 -7.9061 -7.9060 -7.9060 -7.0961 -7.0961 -7.0959 -7.0959 -5.4578 -5.4578 -5.4578 -5.4578 -5.3562 -5.3562 -5.3561 -5.3561 1.7719 1.7719 1.7721 1.7721 3.1228 3.1228 3.1230 3.1230 3.6369 3.6369 3.6372 3.6372 4.4731 4.4731 4.4732 4.4732 8.2668 8.2668 8.2669 8.2669 8.9486 8.9486 8.9488 8.9488 k = 0.0118 0.0075 0.2887 ( 4132 PWs) bands (ev): -20.9826 -20.9826 -20.9826 -20.9826 -7.9099 -7.9099 -7.9022 -7.9022 -7.1009 -7.1009 -7.0916 -7.0916 -5.4623 -5.4623 -5.4548 -5.4548 -5.3602 -5.3602 -5.3518 -5.3518 1.7672 1.7672 1.7769 1.7769 3.1180 3.1180 3.1287 3.1287 3.6198 3.6198 3.6548 3.6548 4.4673 4.4673 4.4775 4.4775 8.2271 8.2271 8.3033 8.3033 8.9452 8.9452 8.9552 8.9552 k = 0.0237 0.0149 0.2887 ( 4129 PWs) bands (ev): -20.9825 -20.9825 -20.9824 -20.9824 -7.9137 -7.9137 -7.8983 -7.8983 -7.1061 -7.1061 -7.0875 -7.0875 -5.4681 -5.4681 -5.4532 -5.4532 -5.3637 -5.3637 -5.3472 -5.3472 1.7626 1.7626 1.7819 1.7819 3.1142 3.1142 3.1355 3.1355 3.6035 3.6035 3.6730 3.6730 4.4601 4.4601 4.4804 4.4804 8.1842 8.1842 8.3361 8.3361 8.9450 8.9450 8.9643 8.9643 k = 0.0355 0.0224 0.2887 ( 4126 PWs) bands (ev): -20.9823 -20.9823 -20.9821 -20.9821 -7.9174 -7.9174 -7.8946 -7.8946 -7.1116 -7.1116 -7.0838 -7.0838 -5.4749 -5.4749 -5.4532 -5.4532 -5.3666 -5.3666 -5.3427 -5.3427 1.7584 1.7584 1.7867 1.7867 3.1113 3.1113 3.1432 3.1432 3.5881 3.5881 3.6914 3.6914 4.4515 4.4515 4.4819 4.4819 8.1386 8.1386 8.3651 8.3651 8.9484 8.9484 8.9756 8.9756 k = 0.0473 0.0298 0.2887 ( 4118 PWs) bands (ev): -20.9820 -20.9820 -20.9818 -20.9818 -7.9209 -7.9209 -7.8910 -7.8910 -7.1173 -7.1173 -7.0804 -7.0804 -5.4828 -5.4828 -5.4546 -5.4546 -5.3689 -5.3689 -5.3384 -5.3384 1.7546 1.7546 1.7913 1.7913 3.1093 3.1093 3.1516 3.1516 3.5739 3.5739 3.7099 3.7099 4.4417 4.4417 4.4819 4.4819 8.0906 8.0906 8.3904 8.3904 8.9556 8.9556 8.9890 8.9890 k = 0.0591 0.0373 0.2887 ( 4120 PWs) bands (ev): -20.9816 -20.9816 -20.9813 -20.9813 -7.9242 -7.9242 -7.8876 -7.8876 -7.1234 -7.1234 -7.0775 -7.0775 -5.4914 -5.4914 -5.4573 -5.4573 -5.3707 -5.3707 -5.3345 -5.3345 1.7514 1.7514 1.7957 1.7957 3.1083 3.1083 3.1608 3.1608 3.5609 3.5609 3.7280 3.7280 4.4306 4.4306 4.4806 4.4806 8.0405 8.0405 8.4123 8.4123 8.9667 8.9667 9.0041 9.0041 k = 0.0710 0.0448 0.2887 ( 4114 PWs) bands (ev): -20.9812 -20.9812 -20.9808 -20.9808 -7.9274 -7.9274 -7.8844 -7.8844 -7.1296 -7.1296 -7.0750 -7.0750 -5.5006 -5.5006 -5.4611 -5.4611 -5.3722 -5.3722 -5.3313 -5.3313 1.7488 1.7488 1.7997 1.7997 3.1082 3.1082 3.1707 3.1707 3.5494 3.5494 3.7457 3.7457 4.4184 4.4184 4.4779 4.4779 7.9886 7.9886 8.4311 8.4311 8.9814 8.9814 9.0211 9.0211 k = 0.0828 0.0522 0.2887 ( 4114 PWs) bands (ev): -20.9806 -20.9806 -20.9801 -20.9801 -7.9302 -7.9302 -7.8816 -7.8816 -7.1360 -7.1360 -7.0728 -7.0728 -5.5102 -5.5102 -5.4659 -5.4659 -5.3735 -5.3735 -5.3287 -5.3287 1.7470 1.7470 1.8032 1.8032 3.1089 3.1089 3.1811 3.1811 3.5396 3.5396 3.7626 3.7626 4.4051 4.4051 4.4741 4.4741 7.9352 7.9352 8.4475 8.4475 8.9994 8.9994 9.0400 9.0400 k = 0.0946 0.0597 0.2887 ( 4114 PWs) bands (ev): -20.9800 -20.9800 -20.9794 -20.9794 -7.9328 -7.9328 -7.8792 -7.8792 -7.1425 -7.1425 -7.0709 -7.0709 -5.5201 -5.5201 -5.4714 -5.4714 -5.3748 -5.3748 -5.3270 -5.3270 1.7460 1.7460 1.8062 1.8062 3.1103 3.1103 3.1919 3.1919 3.5315 3.5315 3.7784 3.7784 4.3909 4.3909 4.4693 4.4693 7.8805 7.8805 8.4622 8.4622 9.0203 9.0203 9.0609 9.0609 k = 0.1064 0.0671 0.2887 ( 4119 PWs) bands (ev): -20.9793 -20.9793 -20.9787 -20.9787 -7.9352 -7.9352 -7.8772 -7.8772 -7.1491 -7.1491 -7.0693 -7.0693 -5.5300 -5.5300 -5.4776 -5.4776 -5.3763 -5.3763 -5.3262 -5.3262 1.7459 1.7459 1.8087 1.8087 3.1124 3.1124 3.2029 3.2029 3.5253 3.5253 3.7929 3.7929 4.3757 4.3757 4.4637 4.4637 7.8247 7.8247 8.4761 8.4761 9.0439 9.0439 9.0840 9.0840 k = 0.1183 0.0746 0.2887 ( 4114 PWs) bands (ev): -20.9785 -20.9785 -20.9778 -20.9778 -7.9373 -7.9373 -7.8757 -7.8757 -7.1556 -7.1556 -7.0681 -7.0681 -5.5400 -5.5400 -5.4843 -5.4843 -5.3781 -5.3781 -5.3263 -5.3263 1.7467 1.7467 1.8105 1.8105 3.1151 3.1151 3.2140 3.2140 3.5211 3.5211 3.8057 3.8057 4.3598 4.3598 4.4575 4.4575 7.7682 7.7682 8.4899 8.4899 9.0700 9.0700 9.1095 9.1095 k = 0.1301 0.0821 0.2887 ( 4114 PWs) bands (ev): -20.9777 -20.9777 -20.9768 -20.9768 -7.9391 -7.9391 -7.8746 -7.8746 -7.1622 -7.1622 -7.0670 -7.0670 -5.5498 -5.5498 -5.4914 -5.4914 -5.3803 -5.3803 -5.3272 -5.3272 1.7485 1.7485 1.8117 1.8117 3.1183 3.1183 3.2251 3.2251 3.5189 3.5189 3.8166 3.8166 4.3432 4.3432 4.4510 4.4510 7.7112 7.7112 8.5043 8.5043 9.0984 9.0984 9.1373 9.1373 k = 0.1419 0.0895 0.2887 ( 4110 PWs) bands (ev): -20.9768 -20.9768 -20.9758 -20.9758 -7.9407 -7.9407 -7.8741 -7.8741 -7.1686 -7.1686 -7.0662 -7.0662 -5.5593 -5.5593 -5.4988 -5.4988 -5.3832 -5.3832 -5.3290 -5.3290 1.7512 1.7512 1.8123 1.8123 3.1220 3.1220 3.2359 3.2359 3.5189 3.5189 3.8253 3.8253 4.3260 4.3260 4.4446 4.4446 7.6539 7.6539 8.5200 8.5200 9.1293 9.1293 9.1678 9.1678 k = 0.1537 0.0970 0.2887 ( 4106 PWs) bands (ev): -20.9758 -20.9758 -20.9748 -20.9748 -7.9422 -7.9422 -7.8740 -7.8740 -7.1749 -7.1749 -7.0655 -7.0655 -5.5686 -5.5686 -5.5065 -5.5065 -5.3868 -5.3868 -5.3314 -5.3314 1.7549 1.7549 1.8123 1.8123 3.1261 3.1261 3.2462 3.2462 3.5210 3.5210 3.8316 3.8316 4.3083 4.3083 4.4387 4.4387 7.5966 7.5966 8.5374 8.5374 9.1628 9.1628 9.2010 9.2010 k = 0.1656 0.1044 0.2887 ( 4110 PWs) bands (ev): -20.9748 -20.9748 -20.9736 -20.9736 -7.9435 -7.9435 -7.8744 -7.8744 -7.1810 -7.1810 -7.0650 -7.0650 -5.5774 -5.5774 -5.5143 -5.5143 -5.3913 -5.3913 -5.3344 -5.3344 1.7595 1.7595 1.8116 1.8116 3.1306 3.1306 3.2558 3.2558 3.5253 3.5253 3.8351 3.8351 4.2902 4.2902 4.4334 4.4334 7.5395 7.5395 8.5572 8.5572 9.1990 9.1990 9.2370 9.2370 k = 0.1774 0.1119 0.2887 ( 4111 PWs) bands (ev): -20.9738 -20.9738 -20.9725 -20.9725 -7.9448 -7.9448 -7.8751 -7.8751 -7.1870 -7.1870 -7.0645 -7.0645 -5.5858 -5.5858 -5.5223 -5.5223 -5.3969 -5.3969 -5.3378 -5.3378 1.7650 1.7650 1.8104 1.8104 3.1355 3.1355 3.2644 3.2644 3.5316 3.5316 3.8358 3.8358 4.2718 4.2718 4.4293 4.4293 7.4829 7.4829 8.5796 8.5796 9.2380 9.2380 9.2759 9.2759 k = 0.1892 0.1193 0.2887 ( 4112 PWs) bands (ev): -20.9727 -20.9727 -20.9712 -20.9712 -7.9461 -7.9461 -7.8762 -7.8762 -7.1928 -7.1928 -7.0641 -7.0641 -5.5937 -5.5937 -5.5303 -5.5303 -5.4037 -5.4037 -5.3414 -5.3414 1.7711 1.7711 1.8088 1.8088 3.1409 3.1409 3.2718 3.2718 3.5400 3.5400 3.8337 3.8337 4.2531 4.2531 4.4265 4.4265 7.4270 7.4270 8.6051 8.6051 9.2800 9.2800 9.3178 9.3178 k = 0.2011 0.1268 0.2887 ( 4113 PWs) bands (ev): -20.9716 -20.9716 -20.9700 -20.9700 -7.9477 -7.9477 -7.8773 -7.8773 -7.1983 -7.1983 -7.0637 -7.0637 -5.6012 -5.6012 -5.5383 -5.5383 -5.4119 -5.4119 -5.3449 -5.3449 1.7774 1.7774 1.8071 1.8071 3.1468 3.1468 3.2776 3.2776 3.5502 3.5502 3.8289 3.8289 4.2345 4.2345 4.4252 4.4252 7.3720 7.3720 8.6339 8.6339 9.3250 9.3250 9.3629 9.3629 k = 0.2129 0.1343 0.2887 ( 4105 PWs) bands (ev): -20.9704 -20.9704 -20.9687 -20.9687 -7.9497 -7.9497 -7.8783 -7.8783 -7.2037 -7.2037 -7.0633 -7.0633 -5.6082 -5.6082 -5.5463 -5.5463 -5.4213 -5.4213 -5.3484 -5.3484 1.7831 1.7831 1.8062 1.8062 3.1532 3.1532 3.2815 3.2815 3.5621 3.5621 3.8217 3.8217 4.2158 4.2158 4.4256 4.4256 7.3182 7.3182 8.6663 8.6663 9.3730 9.3730 9.4112 9.4112 k = 0.2247 0.1417 0.2887 ( 4108 PWs) bands (ev): -20.9693 -20.9693 -20.9673 -20.9673 -7.9523 -7.9523 -7.8790 -7.8790 -7.2088 -7.2088 -7.0627 -7.0627 -5.6148 -5.6148 -5.5543 -5.5543 -5.4320 -5.4320 -5.3516 -5.3516 1.7862 1.7862 1.8081 1.8081 3.1603 3.1603 3.2833 3.2833 3.5754 3.5754 3.8125 3.8125 4.1974 4.1974 4.4278 4.4278 7.2657 7.2657 8.7023 8.7023 9.4239 9.4239 9.4626 9.4626 k = 0.2365 0.1492 0.2887 ( 4106 PWs) bands (ev): -20.9681 -20.9681 -20.9660 -20.9660 -7.9557 -7.9557 -7.8791 -7.8791 -7.2138 -7.2138 -7.0621 -7.0621 -5.6210 -5.6210 -5.5621 -5.5621 -5.4438 -5.4438 -5.3546 -5.3546 1.7854 1.7854 1.8139 1.8139 3.1680 3.1680 3.2826 3.2826 3.5898 3.5898 3.8018 3.8018 4.1792 4.1792 4.4315 4.4315 7.2148 7.2148 8.7420 8.7420 9.4776 9.4776 9.5173 9.5173 k = 0.2484 0.1566 0.2887 ( 4106 PWs) bands (ev): -20.9669 -20.9669 -20.9646 -20.9646 -7.9599 -7.9599 -7.8786 -7.8786 -7.2186 -7.2186 -7.0614 -7.0614 -5.6269 -5.6269 -5.5698 -5.5698 -5.4565 -5.4565 -5.3574 -5.3574 1.7822 1.7822 1.8222 1.8222 3.1765 3.1765 3.2792 3.2792 3.6051 3.6051 3.7902 3.7902 4.1616 4.1616 4.4368 4.4368 7.1657 7.1657 8.7855 8.7855 9.5337 9.5337 9.5751 9.5751 k = 0.2602 0.1641 0.2887 ( 4104 PWs) bands (ev): -20.9658 -20.9658 -20.9632 -20.9632 -7.9650 -7.9650 -7.8774 -7.8774 -7.2233 -7.2233 -7.0605 -7.0605 -5.6326 -5.6326 -5.5774 -5.5774 -5.4697 -5.4697 -5.3599 -5.3599 1.7777 1.7777 1.8316 1.8316 3.1855 3.1855 3.2732 3.2732 3.6209 3.6209 3.7783 3.7783 4.1446 4.1446 4.4436 4.4436 7.1186 7.1186 8.8327 8.8327 9.5919 9.5919 9.6361 9.6361 k = 0.2720 0.1716 0.2887 ( 4104 PWs) bands (ev): -20.9646 -20.9646 -20.9619 -20.9619 -7.9710 -7.9710 -7.8753 -7.8753 -7.2279 -7.2279 -7.0594 -7.0594 -5.6384 -5.6384 -5.5849 -5.5849 -5.4832 -5.4832 -5.3622 -5.3622 1.7725 1.7725 1.8416 1.8416 3.1948 3.1948 3.2646 3.2646 3.6366 3.6366 3.7667 3.7667 4.1285 4.1285 4.4515 4.4515 7.0736 7.0736 8.8836 8.8836 9.6519 9.6519 9.6999 9.6999 k = 0.2838 0.1790 0.2887 ( 4108 PWs) bands (ev): -20.9635 -20.9635 -20.9605 -20.9605 -7.9778 -7.9778 -7.8724 -7.8724 -7.2324 -7.2324 -7.0582 -7.0582 -5.6444 -5.6444 -5.5924 -5.5924 -5.4965 -5.4965 -5.3642 -5.3642 1.7669 1.7669 1.8519 1.8519 3.2027 3.2027 3.2552 3.2552 3.6516 3.6516 3.7560 3.7560 4.1135 4.1135 4.4605 4.4605 7.0309 7.0309 8.9379 8.9379 9.7131 9.7131 9.7666 9.7666 k = 0.2957 0.1865 0.2887 ( 4100 PWs) bands (ev): -20.9624 -20.9624 -20.9591 -20.9591 -7.9853 -7.9853 -7.8688 -7.8688 -7.2368 -7.2368 -7.0569 -7.0569 -5.6508 -5.6508 -5.5999 -5.5999 -5.5091 -5.5091 -5.3660 -5.3660 1.7610 1.7610 1.8623 1.8623 3.2048 3.2048 3.2496 3.2496 3.6651 3.6651 3.7471 3.7471 4.1000 4.1000 4.4704 4.4704 6.9907 6.9907 8.9954 8.9954 9.7750 9.7750 9.8357 9.8357 k = 0.3075 0.1939 0.2887 ( 4108 PWs) bands (ev): -20.9613 -20.9613 -20.9578 -20.9578 -7.9932 -7.9932 -7.8645 -7.8645 -7.2412 -7.2412 -7.0554 -7.0554 -5.6581 -5.6581 -5.6075 -5.6075 -5.5206 -5.5206 -5.3676 -5.3676 1.7549 1.7549 1.8726 1.8726 3.1951 3.1951 3.2538 3.2538 3.6760 3.6760 3.7407 3.7407 4.0882 4.0882 4.4809 4.4809 6.9531 6.9531 9.0557 9.0557 9.8368 9.8368 9.9070 9.9070 k = 0.3193 0.2014 0.2887 ( 4102 PWs) bands (ev): -20.9603 -20.9603 -20.9565 -20.9565 -8.0016 -8.0016 -7.8597 -7.8597 -7.2455 -7.2455 -7.0537 -7.0537 -5.6664 -5.6664 -5.6152 -5.6152 -5.5303 -5.5303 -5.3688 -5.3688 1.7488 1.7488 1.8827 1.8827 3.1764 3.1764 3.2655 3.2655 3.6829 3.6829 3.7376 3.7376 4.0787 4.0787 4.4919 4.4919 6.9183 6.9183 9.1186 9.1186 9.8979 9.8979 9.9799 9.9799 k = 0.3311 0.2089 0.2887 ( 4098 PWs) bands (ev): -20.9593 -20.9593 -20.9552 -20.9552 -8.0101 -8.0101 -7.8544 -7.8544 -7.2499 -7.2499 -7.0520 -7.0520 -5.6762 -5.6762 -5.6227 -5.6227 -5.5382 -5.5382 -5.3698 -5.3698 1.7426 1.7426 1.8926 1.8926 3.1530 3.1530 3.2807 3.2807 3.6851 3.6851 3.7381 3.7381 4.0718 4.0718 4.5033 4.5033 6.8864 6.8864 9.1832 9.1832 9.9571 9.9571 10.0539 10.0539 k = 0.3430 0.2163 0.2887 ( 4099 PWs) bands (ev): -20.9583 -20.9583 -20.9540 -20.9540 -8.0187 -8.0187 -7.8487 -7.8487 -7.2542 -7.2542 -7.0502 -7.0502 -5.6877 -5.6877 -5.6299 -5.6299 -5.5441 -5.5441 -5.3704 -5.3704 1.7366 1.7366 1.9020 1.9020 3.1268 3.1268 3.2979 3.2979 3.6836 3.6836 3.7404 3.7404 4.0678 4.0678 4.5149 4.5149 6.8575 6.8575 9.2490 9.2490 10.0133 10.0133 10.1282 10.1282 k = 0.3548 0.2238 0.2887 ( 4097 PWs) bands (ev): -20.9575 -20.9575 -20.9527 -20.9527 -8.0273 -8.0273 -7.8427 -7.8427 -7.2585 -7.2585 -7.0483 -7.0483 -5.7007 -5.7007 -5.6365 -5.6365 -5.5480 -5.5480 -5.3708 -5.3708 1.7307 1.7307 1.9110 1.9110 3.0989 3.0989 3.3164 3.3164 3.6801 3.6801 3.7425 3.7425 4.0670 4.0670 4.5265 4.5265 6.8317 6.8317 9.3149 9.3149 10.0649 10.0649 10.2019 10.2019 k = 0.3666 0.2312 0.2887 ( 4096 PWs) bands (ev): -20.9567 -20.9567 -20.9516 -20.9516 -8.0357 -8.0357 -7.8364 -7.8364 -7.2628 -7.2628 -7.0464 -7.0464 -5.7151 -5.7151 -5.6423 -5.6423 -5.5504 -5.5504 -5.3707 -5.3707 1.7251 1.7251 1.9195 1.9195 3.0698 3.0698 3.3360 3.3360 3.6757 3.6757 3.7428 3.7428 4.0695 4.0695 4.5381 4.5381 6.8091 6.8091 9.3795 9.3795 10.1100 10.1100 10.2738 10.2738 k = 0.3785 0.2387 0.2887 ( 4092 PWs) bands (ev): -20.9559 -20.9559 -20.9505 -20.9505 -8.0439 -8.0439 -7.8300 -7.8300 -7.2671 -7.2671 -7.0445 -7.0445 -5.7304 -5.7304 -5.6475 -5.6475 -5.5515 -5.5515 -5.3704 -5.3704 1.7197 1.7197 1.9275 1.9275 3.0402 3.0402 3.3562 3.3562 3.6709 3.6709 3.7408 3.7408 4.0751 4.0751 4.5494 4.5494 6.7897 6.7897 9.4411 9.4411 10.1463 10.1463 10.3424 10.3424 k = 0.3903 0.2462 0.2887 ( 4096 PWs) bands (ev): -20.9553 -20.9553 -20.9495 -20.9495 -8.0517 -8.0517 -7.8235 -7.8235 -7.2713 -7.2713 -7.0427 -7.0427 -5.7462 -5.7462 -5.6519 -5.6519 -5.5515 -5.5515 -5.3697 -5.3697 1.7148 1.7148 1.9350 1.9350 3.0106 3.0106 3.3769 3.3769 3.6660 3.6660 3.7365 3.7365 4.0834 4.0834 4.5604 4.5604 6.7737 6.7737 9.4971 9.4971 10.1728 10.1728 10.4057 10.4057 k = 0.4021 0.2536 0.2887 ( 4089 PWs) bands (ev): -20.9547 -20.9547 -20.9485 -20.9485 -8.0590 -8.0590 -7.8171 -7.8171 -7.2755 -7.2755 -7.0409 -7.0409 -5.7621 -5.7621 -5.6557 -5.6557 -5.5508 -5.5508 -5.3686 -5.3686 1.7103 1.7103 1.9419 1.9419 2.9814 2.9814 3.3976 3.3976 3.6611 3.6611 3.7301 3.7301 4.0940 4.0940 4.5709 4.5709 6.7611 6.7611 9.5443 9.5443 10.1912 10.1912 10.4609 10.4609 k = 0.4139 0.2611 0.2887 ( 4095 PWs) bands (ev): -20.9542 -20.9542 -20.9476 -20.9476 -8.0658 -8.0658 -7.8107 -7.8107 -7.2796 -7.2796 -7.0392 -7.0392 -5.7777 -5.7777 -5.6589 -5.6589 -5.5494 -5.5494 -5.3672 -5.3672 1.7063 1.7063 1.9483 1.9483 2.9529 2.9529 3.4180 3.4180 3.6562 3.6562 3.7220 3.7220 4.1063 4.1063 4.5809 4.5809 6.7519 6.7519 9.5790 9.5790 10.2074 10.2074 10.5031 10.5031 k = 0.4258 0.2685 0.2887 ( 4091 PWs) bands (ev): -20.9538 -20.9538 -20.9467 -20.9467 -8.0719 -8.0719 -7.8046 -7.8046 -7.2835 -7.2835 -7.0377 -7.0377 -5.7928 -5.7928 -5.6615 -5.6615 -5.5475 -5.5475 -5.3654 -5.3654 1.7028 1.7028 1.9541 1.9541 2.9255 2.9255 3.4378 3.4378 3.6513 3.6513 3.7128 3.7128 4.1199 4.1199 4.5902 4.5902 6.7462 6.7462 9.5980 9.5980 10.2284 10.2284 10.5288 10.5288 k = 0.4376 0.2760 0.2887 ( 4087 PWs) bands (ev): -20.9535 -20.9535 -20.9460 -20.9460 -8.0773 -8.0773 -7.7988 -7.7988 -7.2873 -7.2873 -7.0363 -7.0363 -5.8071 -5.8071 -5.6636 -5.6636 -5.5454 -5.5454 -5.3634 -5.3634 1.6999 1.6999 1.9594 1.9594 2.8996 2.8996 3.4563 3.4563 3.6466 3.6466 3.7030 3.7030 4.1342 4.1342 4.5988 4.5988 6.7441 6.7441 9.6002 9.6002 10.2587 10.2587 10.5477 10.5477 k = 0.4494 0.2835 0.2887 ( 4084 PWs) bands (ev): -20.9533 -20.9533 -20.9453 -20.9453 -8.0820 -8.0820 -7.7934 -7.7934 -7.2908 -7.2908 -7.0350 -7.0350 -5.8204 -5.8204 -5.6651 -5.6651 -5.5429 -5.5429 -5.3610 -5.3610 1.6977 1.6977 1.9643 1.9643 2.8753 2.8753 3.4729 3.4729 3.6420 3.6420 3.6931 3.6931 4.1491 4.1491 4.6066 4.6066 6.7454 6.7454 9.5869 9.5869 10.2994 10.2994 10.5624 10.5624 k = 0.4612 0.2909 0.2887 ( 4086 PWs) bands (ev): -20.9532 -20.9532 -20.9447 -20.9447 -8.0859 -8.0859 -7.7885 -7.7885 -7.2941 -7.2941 -7.0340 -7.0340 -5.8325 -5.8325 -5.6660 -5.6660 -5.5403 -5.5403 -5.3585 -5.3585 1.6962 1.6962 1.9686 1.9686 2.8529 2.8529 3.4871 3.4871 3.6373 3.6373 3.6840 3.6840 4.1642 4.1642 4.6134 4.6134 6.7503 6.7503 9.5614 9.5614 10.3483 10.3483 10.5698 10.5698 k = 0.4731 0.2984 0.2887 ( 4087 PWs) bands (ev): -20.9532 -20.9532 -20.9442 -20.9442 -8.0889 -8.0889 -7.7843 -7.7843 -7.2970 -7.2970 -7.0332 -7.0332 -5.8433 -5.8433 -5.6664 -5.6664 -5.5375 -5.5375 -5.3558 -5.3558 1.6955 1.6955 1.9724 1.9724 2.8325 2.8325 3.4981 3.4981 3.6323 3.6323 3.6766 3.6766 4.1793 4.1793 4.6192 4.6192 6.7587 6.7587 9.5270 9.5270 10.4020 10.4020 10.5570 10.5570 k = 0.5000 0.3154-0.1891 ( 4064 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1135 -8.1135 -7.7401 -7.7401 -7.3315 -7.3315 -7.0093 -7.0093 -5.8937 -5.8937 -5.6771 -5.6771 -5.5208 -5.5208 -5.3218 -5.3218 1.6617 1.6617 1.9858 1.9858 2.7339 2.7339 3.5530 3.5530 3.6894 3.6894 3.7916 3.7916 4.0802 4.0802 4.6271 4.6271 6.6418 6.6418 10.1280 10.1280 10.3366 10.3366 10.4559 10.4559 k = 0.5074 0.3036-0.1891 ( 4068 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1132 -8.1132 -7.7406 -7.7406 -7.3314 -7.3314 -7.0094 -7.0094 -5.8933 -5.8933 -5.6769 -5.6769 -5.5211 -5.5211 -5.3222 -5.3222 1.6622 1.6622 1.9861 1.9861 2.7343 2.7343 3.5523 3.5523 3.6858 3.6858 3.7902 3.7902 4.0847 4.0847 4.6275 4.6275 6.6453 6.6453 10.1193 10.1193 10.3376 10.3376 10.4635 10.4635 k = 0.5148 0.2919-0.1891 ( 4068 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1122 -8.1122 -7.7420 -7.7420 -7.3311 -7.3311 -7.0099 -7.0099 -5.8923 -5.8923 -5.6762 -5.6762 -5.5218 -5.5218 -5.3234 -5.3234 1.6639 1.6639 1.9870 1.9870 2.7358 2.7358 3.5500 3.5500 3.6756 3.6756 3.7861 3.7861 4.0976 4.0976 4.6286 4.6286 6.6560 6.6560 10.0953 10.0953 10.3406 10.3406 10.4842 10.4842 k = 0.5222 0.2802-0.1891 ( 4074 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1105 -8.1105 -7.7443 -7.7443 -7.3306 -7.3306 -7.0107 -7.0107 -5.8905 -5.8905 -5.6750 -5.6750 -5.5229 -5.5229 -5.3252 -5.3252 1.6665 1.6665 1.9884 1.9884 2.7382 2.7382 3.5456 3.5456 3.6606 3.6606 3.7799 3.7799 4.1171 4.1171 4.6303 4.6303 6.6737 6.6737 10.0604 10.0604 10.3450 10.3450 10.5134 10.5134 k = 0.5296 0.2685-0.1891 ( 4080 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1082 -8.1082 -7.7476 -7.7476 -7.3299 -7.3299 -7.0118 -7.0118 -5.8881 -5.8881 -5.6735 -5.6735 -5.5244 -5.5244 -5.3278 -5.3278 1.6700 1.6700 1.9902 1.9902 2.7417 2.7417 3.5387 3.5387 3.6430 3.6430 3.7722 3.7722 4.1414 4.1414 4.6326 4.6326 6.6983 6.6983 10.0185 10.0185 10.3495 10.3495 10.5418 10.5418 k = 0.5369 0.2568-0.1891 ( 4090 PWs) bands (ev): -20.9544 -20.9544 -20.9425 -20.9425 -8.1053 -8.1053 -7.7517 -7.7517 -7.3290 -7.3290 -7.0131 -7.0131 -5.8851 -5.8851 -5.6716 -5.6716 -5.5262 -5.5262 -5.3309 -5.3309 1.6742 1.6742 1.9926 1.9926 2.7463 2.7463 3.5282 3.5282 3.6255 3.6255 3.7631 3.7631 4.1688 4.1688 4.6351 4.6351 6.7298 6.7298 9.9721 9.9721 10.3520 10.3520 10.5272 10.5272 k = 0.5443 0.2451-0.1891 ( 4088 PWs) bands (ev): -20.9544 -20.9544 -20.9426 -20.9426 -8.1018 -8.1018 -7.7566 -7.7566 -7.3280 -7.3280 -7.0147 -7.0147 -5.8814 -5.8814 -5.6695 -5.6695 -5.5283 -5.5283 -5.3346 -5.3346 1.6789 1.6789 1.9953 1.9953 2.7522 2.7522 3.5133 3.5133 3.6101 3.6101 3.7533 3.7533 4.1979 4.1979 4.6377 4.6377 6.7681 6.7681 9.9230 9.9230 10.3480 10.3480 10.5096 10.5096 k = 0.5517 0.2334-0.1891 ( 4090 PWs) bands (ev): -20.9545 -20.9545 -20.9426 -20.9426 -8.0977 -8.0977 -7.7622 -7.7622 -7.3268 -7.3268 -7.0166 -7.0166 -5.8772 -5.8772 -5.6673 -5.6673 -5.5305 -5.5305 -5.3389 -5.3389 1.6837 1.6837 1.9984 1.9984 2.7594 2.7594 3.4943 3.4943 3.5977 3.5977 3.7428 3.7428 4.2278 4.2278 4.6403 4.6403 6.8129 6.8129 9.8722 9.8722 10.3319 10.3319 10.4998 10.4998 k = 0.5591 0.2217-0.1891 ( 4086 PWs) bands (ev): -20.9545 -20.9545 -20.9427 -20.9427 -8.0931 -8.0931 -7.7685 -7.7685 -7.3255 -7.3255 -7.0187 -7.0187 -5.8725 -5.8725 -5.6652 -5.6652 -5.5327 -5.5327 -5.3434 -5.3434 1.6885 1.6885 2.0017 2.0017 2.7679 2.7679 3.4724 3.4724 3.5881 3.5881 3.7322 3.7322 4.2578 4.2578 4.6425 4.6425 6.8641 6.8641 9.8203 9.8203 10.3010 10.3010 10.5008 10.5008 k = 0.5665 0.2099-0.1891 ( 4086 PWs) bands (ev): -20.9545 -20.9545 -20.9427 -20.9427 -8.0879 -8.0879 -7.7753 -7.7753 -7.3241 -7.3241 -7.0209 -7.0209 -5.8673 -5.8673 -5.6633 -5.6633 -5.5347 -5.5347 -5.3483 -5.3483 1.6930 1.6930 2.0051 2.0051 2.7781 2.7781 3.4490 3.4490 3.5802 3.5802 3.7218 3.7218 4.2872 4.2872 4.6442 4.6442 6.9216 6.9216 9.7679 9.7679 10.2579 10.2579 10.5103 10.5103 k = 0.5739 0.1982-0.1891 ( 4081 PWs) bands (ev): -20.9546 -20.9546 -20.9428 -20.9428 -8.0823 -8.0823 -7.7826 -7.7826 -7.3227 -7.3227 -7.0233 -7.0233 -5.8618 -5.8618 -5.6619 -5.6619 -5.5363 -5.5363 -5.3533 -5.3533 1.6967 1.6967 2.0086 2.0086 2.7900 2.7900 3.4254 3.4254 3.5734 3.5734 3.7117 3.7117 4.3158 4.3158 4.6452 4.6452 6.9850 6.9850 9.7154 9.7154 10.2064 10.2064 10.5241 10.5241 k = 0.5813 0.1865-0.1891 ( 4081 PWs) bands (ev): -20.9547 -20.9547 -20.9429 -20.9429 -8.0762 -8.0762 -7.7902 -7.7902 -7.3212 -7.3212 -7.0258 -7.0258 -5.8559 -5.8559 -5.6612 -5.6612 -5.5372 -5.5372 -5.3584 -5.3584 1.6995 1.6995 2.0120 2.0120 2.8038 2.8038 3.4025 3.4025 3.5672 3.5672 3.7025 3.7025 4.3431 4.3431 4.6453 4.6453 7.0543 7.0543 9.6632 9.6632 10.1493 10.1493 10.5389 10.5389 k = 0.5887 0.1748-0.1891 ( 4087 PWs) bands (ev): -20.9548 -20.9548 -20.9429 -20.9429 -8.0698 -8.0698 -7.7982 -7.7982 -7.3198 -7.3198 -7.0284 -7.0284 -5.8497 -5.8497 -5.6615 -5.6615 -5.5373 -5.5373 -5.3635 -5.3635 1.7011 1.7011 2.0152 2.0152 2.8195 2.8195 3.3809 3.3809 3.5612 3.5612 3.6942 3.6942 4.3689 4.3689 4.6444 4.6444 7.1290 7.1290 9.6114 9.6114 10.0885 10.0885 10.5514 10.5514 k = 0.5960 0.1631-0.1891 ( 4095 PWs) bands (ev): -20.9549 -20.9549 -20.9430 -20.9430 -8.0632 -8.0632 -7.8063 -7.8063 -7.3184 -7.3184 -7.0310 -7.0310 -5.8433 -5.8433 -5.6628 -5.6628 -5.5364 -5.5364 -5.3684 -5.3684 1.7012 1.7012 2.0181 2.0181 2.8372 2.8372 3.3609 3.3609 3.5556 3.5556 3.6871 3.6871 4.3931 4.3931 4.6424 4.6424 7.2091 7.2091 9.5604 9.5604 10.0252 10.0252 10.5583 10.5583 k = 0.6034 0.1514-0.1891 ( 4101 PWs) bands (ev): -20.9550 -20.9550 -20.9431 -20.9431 -8.0562 -8.0562 -7.8145 -7.8145 -7.3170 -7.3170 -7.0336 -7.0336 -5.8369 -5.8369 -5.6653 -5.6653 -5.5343 -5.5343 -5.3731 -5.3731 1.6998 1.6998 2.0206 2.0206 2.8571 2.8571 3.3428 3.3428 3.5502 3.5502 3.6811 3.6811 4.4155 4.4155 4.6393 4.6393 7.2942 7.2942 9.5104 9.5104 9.9604 9.9604 10.5562 10.5562 k = 0.6108 0.1397-0.1891 ( 4111 PWs) bands (ev): -20.9552 -20.9552 -20.9433 -20.9433 -8.0492 -8.0492 -7.8226 -7.8226 -7.3156 -7.3156 -7.0362 -7.0362 -5.8303 -5.8303 -5.6689 -5.6689 -5.5312 -5.5312 -5.3774 -5.3774 1.6966 1.6966 2.0227 2.0227 2.8789 2.8789 3.3267 3.3267 3.5453 3.5453 3.6763 3.6763 4.4360 4.4360 4.6351 4.6351 7.3841 7.3841 9.4615 9.4615 9.8946 9.8946 10.5421 10.5421 k = 0.6182 0.1280-0.1891 ( 4115 PWs) bands (ev): -20.9554 -20.9554 -20.9434 -20.9434 -8.0421 -8.0421 -7.8305 -7.8305 -7.3144 -7.3144 -7.0387 -7.0387 -5.8239 -5.8239 -5.6734 -5.6734 -5.5271 -5.5271 -5.3813 -5.3813 1.6918 1.6918 2.0242 2.0242 2.9027 2.9027 3.3127 3.3127 3.5410 3.5410 3.6727 3.6727 4.4544 4.4544 4.6298 4.6298 7.4785 7.4785 9.4140 9.4140 9.8286 9.8286 10.5146 10.5146 k = 0.6256 0.1162-0.1891 ( 4117 PWs) bands (ev): -20.9557 -20.9557 -20.9435 -20.9435 -8.0350 -8.0350 -7.8382 -7.8382 -7.3132 -7.3132 -7.0410 -7.0410 -5.8177 -5.8177 -5.6785 -5.6785 -5.5222 -5.5222 -5.3847 -5.3847 1.6853 1.6853 2.0251 2.0251 2.9283 2.9283 3.3008 3.3008 3.5375 3.5375 3.6702 3.6702 4.4707 4.4707 4.6234 4.6234 7.5771 7.5771 9.3682 9.3682 9.7627 9.7627 10.4745 10.4745 k = 0.6330 0.1045-0.1891 ( 4123 PWs) bands (ev): -20.9559 -20.9559 -20.9437 -20.9437 -8.0280 -8.0280 -7.8455 -7.8455 -7.3122 -7.3122 -7.0432 -7.0432 -5.8118 -5.8118 -5.6839 -5.6839 -5.5167 -5.5167 -5.3875 -5.3875 1.6772 1.6772 2.0255 2.0255 2.9554 2.9554 3.2908 3.2908 3.5349 3.5349 3.6688 3.6688 4.4847 4.4847 4.6162 4.6162 7.6795 7.6795 9.3241 9.3241 9.6972 9.6972 10.4241 10.4241 k = 0.6404 0.0928-0.1891 ( 4123 PWs) bands (ev): -20.9563 -20.9563 -20.9438 -20.9438 -8.0213 -8.0213 -7.8522 -7.8522 -7.3112 -7.3112 -7.0453 -7.0453 -5.8066 -5.8066 -5.6892 -5.6892 -5.5108 -5.5108 -5.3895 -5.3895 1.6678 1.6678 2.0252 2.0252 2.9837 2.9837 3.2828 3.2828 3.5334 3.5334 3.6683 3.6683 4.4965 4.4965 4.6084 4.6084 7.7854 7.7854 9.2822 9.2822 9.6326 9.6326 10.3663 10.3663 k = 0.3596-0.5702-0.0000 ( 4123 PWs) bands (ev): -20.9563 -20.9563 -20.9438 -20.9438 -8.0213 -8.0213 -7.8522 -7.8522 -7.3112 -7.3112 -7.0453 -7.0453 -5.8066 -5.8066 -5.6892 -5.6892 -5.5108 -5.5108 -5.3895 -5.3895 1.6678 1.6678 2.0252 2.0252 2.9837 2.9837 3.2828 3.2828 3.5334 3.5334 3.6683 3.6683 4.4965 4.4965 4.6084 4.6084 7.7854 7.7854 9.2822 9.2822 9.6326 9.6326 10.3663 10.3663 k = 0.3521-0.5583 0.0000 ( 4127 PWs) bands (ev): -20.9567 -20.9567 -20.9440 -20.9440 -8.0149 -8.0149 -7.8584 -7.8584 -7.3104 -7.3104 -7.0471 -7.0471 -5.8020 -5.8020 -5.6939 -5.6939 -5.5047 -5.5047 -5.3909 -5.3909 1.6569 1.6569 2.0244 2.0244 3.0130 3.0130 3.2767 3.2767 3.5329 3.5329 3.6686 3.6686 4.5060 4.5060 4.6000 4.6000 7.8958 7.8958 9.2421 9.2421 9.5679 9.5679 10.3030 10.3030 k = 0.3446-0.5464-0.0000 ( 4129 PWs) bands (ev): -20.9571 -20.9571 -20.9442 -20.9442 -8.0090 -8.0090 -7.8638 -7.8638 -7.3096 -7.3096 -7.0487 -7.0487 -5.7986 -5.7986 -5.6976 -5.6976 -5.4986 -5.4986 -5.3914 -5.3914 1.6451 1.6451 2.0230 2.0230 3.0425 3.0425 3.2726 3.2726 3.5336 3.5336 3.6699 3.6699 4.5129 4.5129 4.5917 4.5917 8.0086 8.0086 9.2049 9.2049 9.5045 9.5045 10.2370 10.2370 k = 0.3372-0.5346-0.0000 ( 4125 PWs) bands (ev): -20.9576 -20.9576 -20.9444 -20.9444 -8.0037 -8.0037 -7.8683 -7.8683 -7.3089 -7.3089 -7.0501 -7.0501 -5.7965 -5.7965 -5.6999 -5.6999 -5.4926 -5.4926 -5.3910 -5.3910 1.6326 1.6326 2.0212 2.0212 3.0714 3.0714 3.2705 3.2705 3.5353 3.5353 3.6718 3.6718 4.5169 4.5169 4.5839 4.5839 8.1230 8.1230 9.1712 9.1712 9.4425 9.4425 10.1701 10.1701 k = 0.3297-0.5227 0.0000 ( 4125 PWs) bands (ev): -20.9581 -20.9581 -20.9446 -20.9446 -7.9991 -7.9991 -7.8719 -7.8719 -7.3082 -7.3082 -7.0512 -7.0512 -5.7959 -5.7959 -5.7004 -5.7004 -5.4870 -5.4870 -5.3897 -5.3897 1.6196 1.6196 2.0189 2.0189 3.0988 3.0988 3.2709 3.2709 3.5380 3.5380 3.6745 3.6745 4.5177 4.5177 4.5773 4.5773 8.2377 8.2377 9.1419 9.1419 9.3820 9.3820 10.1034 10.1034 k = 0.3222-0.5108 0.0000 ( 4127 PWs) bands (ev): -20.9587 -20.9587 -20.9449 -20.9449 -7.9953 -7.9953 -7.8746 -7.8746 -7.3076 -7.3076 -7.0521 -7.0521 -5.7967 -5.7967 -5.6991 -5.6991 -5.4819 -5.4819 -5.3876 -5.3876 1.6065 1.6065 2.0164 2.0164 3.1234 3.1234 3.2741 3.2741 3.5415 3.5415 3.6779 3.6779 4.5153 4.5153 4.5723 4.5723 8.3508 8.3508 9.1185 9.1185 9.3232 9.3232 10.0377 10.0377 k = 0.3147-0.4989-0.0000 ( 4125 PWs) bands (ev): -20.9593 -20.9593 -20.9452 -20.9452 -7.9921 -7.9921 -7.8763 -7.8763 -7.3069 -7.3069 -7.0528 -7.0528 -5.7984 -5.7984 -5.6962 -5.6962 -5.4771 -5.4771 -5.3847 -5.3847 1.5934 1.5934 2.0138 2.0138 3.1440 3.1440 3.2809 3.2809 3.5457 3.5457 3.6819 3.6819 4.5103 4.5103 4.5687 4.5687 8.4593 8.4593 9.1035 9.1035 9.2661 9.2661 9.9736 9.9736 k = 0.3072-0.4870 0.0000 ( 4131 PWs) bands (ev): -20.9600 -20.9600 -20.9454 -20.9454 -7.9897 -7.9897 -7.8772 -7.8772 -7.3062 -7.3062 -7.0532 -7.0532 -5.8008 -5.8008 -5.6919 -5.6919 -5.4728 -5.4728 -5.3812 -5.3812 1.5805 1.5805 2.0110 2.0110 3.1596 3.1596 3.2915 3.2915 3.5503 3.5503 3.6865 3.6865 4.5037 4.5037 4.5660 4.5660 8.5582 8.5582 9.1008 9.1008 9.2109 9.2109 9.9117 9.9117 k = 0.2997-0.4752 0.0000 ( 4127 PWs) bands (ev): -20.9608 -20.9608 -20.9458 -20.9458 -7.9879 -7.9879 -7.8774 -7.8774 -7.3053 -7.3053 -7.0534 -7.0534 -5.8035 -5.8035 -5.6866 -5.6866 -5.4689 -5.4689 -5.3770 -5.3770 1.5683 1.5683 2.0084 2.0084 3.1699 3.1699 3.3057 3.3057 3.5551 3.5551 3.6915 3.6915 4.4963 4.4963 4.5639 4.5639 8.6404 8.6404 9.1159 9.1159 9.1587 9.1587 9.8522 9.8522 k = 0.2922-0.4633-0.0000 ( 4137 PWs) bands (ev): -20.9616 -20.9616 -20.9461 -20.9461 -7.9865 -7.9865 -7.8771 -7.8771 -7.3043 -7.3043 -7.0534 -7.0534 -5.8059 -5.8059 -5.6804 -5.6804 -5.4653 -5.4653 -5.3725 -5.3725 1.5567 1.5567 2.0058 2.0058 3.1754 3.1754 3.3223 3.3223 3.5599 3.5599 3.6969 3.6969 4.4891 4.4891 4.5618 4.5618 8.6990 8.6990 9.1035 9.1035 9.1601 9.1601 9.7955 9.7955 k = 0.2847-0.4514-0.0000 ( 4135 PWs) bands (ev): -20.9625 -20.9625 -20.9465 -20.9465 -7.9854 -7.9854 -7.8764 -7.8764 -7.3030 -7.3030 -7.0532 -7.0532 -5.8078 -5.8078 -5.6737 -5.6737 -5.4620 -5.4620 -5.3678 -5.3678 1.5461 1.5461 2.0036 2.0036 3.1772 3.1772 3.3399 3.3399 3.5643 3.5643 3.7027 3.7027 4.4826 4.4826 4.5597 4.5597 8.7324 8.7324 9.0549 9.0549 9.2231 9.2231 9.7418 9.7418 k = 0.2772-0.4395 0.0000 ( 4133 PWs) bands (ev): -20.9634 -20.9634 -20.9469 -20.9469 -7.9845 -7.9845 -7.8756 -7.8756 -7.3014 -7.3014 -7.0530 -7.0530 -5.8090 -5.8090 -5.6666 -5.6666 -5.4588 -5.4588 -5.3629 -5.3629 1.5364 1.5364 2.0017 2.0017 3.1761 3.1761 3.3573 3.3573 3.5682 3.5682 3.7087 3.7087 4.4773 4.4773 4.5574 4.5574 8.7468 8.7468 9.0076 9.0076 9.3013 9.3013 9.6912 9.6912 k = 0.2697-0.4276-0.0000 ( 4125 PWs) bands (ev): -20.9643 -20.9643 -20.9473 -20.9473 -7.9836 -7.9836 -7.8747 -7.8747 -7.2996 -7.2996 -7.0526 -7.0526 -5.8093 -5.8093 -5.6592 -5.6592 -5.4558 -5.4558 -5.3581 -5.3581 1.5280 1.5280 2.0003 2.0003 3.1725 3.1725 3.3735 3.3735 3.5713 3.5713 3.7150 3.7150 4.4735 4.4735 4.5550 4.5550 8.7497 8.7497 8.9622 8.9622 9.3815 9.3815 9.6439 9.6439 k = 0.2622-0.4158-0.0000 ( 4129 PWs) bands (ev): -20.9654 -20.9654 -20.9477 -20.9477 -7.9828 -7.9828 -7.8738 -7.8738 -7.2974 -7.2974 -7.0521 -7.0521 -5.8086 -5.8086 -5.6517 -5.6517 -5.4528 -5.4528 -5.3534 -5.3534 1.5208 1.5208 1.9993 1.9993 3.1668 3.1668 3.3881 3.3881 3.5732 3.5732 3.7215 3.7215 4.4714 4.4714 4.5525 4.5525 8.7466 8.7466 8.9189 8.9189 9.4519 9.4519 9.6000 9.6000 k = 0.2547-0.4039-0.0000 ( 4127 PWs) bands (ev): -20.9664 -20.9664 -20.9482 -20.9482 -7.9819 -7.9819 -7.8730 -7.8730 -7.2949 -7.2949 -7.0516 -7.0516 -5.8067 -5.8067 -5.6439 -5.6439 -5.4498 -5.4498 -5.3490 -5.3490 1.5150 1.5150 1.9989 1.9989 3.1592 3.1592 3.4008 3.4008 3.5738 3.5738 3.7283 3.7283 4.4711 4.4711 4.5497 4.5497 8.7407 8.7407 8.8778 8.8778 9.5023 9.5023 9.5601 9.5601 k = 0.2472-0.3920-0.0000 ( 4125 PWs) bands (ev): -20.9675 -20.9675 -20.9487 -20.9487 -7.9812 -7.9812 -7.8721 -7.8721 -7.2920 -7.2920 -7.0510 -7.0510 -5.8036 -5.8036 -5.6362 -5.6362 -5.4468 -5.4468 -5.3448 -5.3448 1.5105 1.5105 1.9991 1.9991 3.1498 3.1498 3.4115 3.4115 3.5729 3.5729 3.7353 3.7353 4.4727 4.4727 4.5467 4.5467 8.7338 8.7338 8.8389 8.8389 9.5166 9.5166 9.5340 9.5340 k = 0.2398-0.3801-0.0000 ( 4127 PWs) bands (ev): -20.9687 -20.9687 -20.9492 -20.9492 -7.9805 -7.9805 -7.8711 -7.8711 -7.2888 -7.2888 -7.0505 -7.0505 -5.7993 -5.7993 -5.6283 -5.6283 -5.4438 -5.4438 -5.3410 -5.3410 1.5074 1.5074 2.0000 2.0000 3.1387 3.1387 3.4202 3.4202 3.5704 3.5704 3.7428 3.7428 4.4762 4.4762 4.5434 4.5434 8.7268 8.7268 8.8024 8.8024 9.4864 9.4864 9.5302 9.5302 k = 0.2323-0.3683-0.0000 ( 4119 PWs) bands (ev): -20.9699 -20.9699 -20.9497 -20.9497 -7.9801 -7.9801 -7.8698 -7.8698 -7.2852 -7.2852 -7.0499 -7.0499 -5.7937 -5.7937 -5.6205 -5.6205 -5.4408 -5.4408 -5.3376 -5.3376 1.5056 1.5056 2.0014 2.0014 3.1259 3.1259 3.4269 3.4269 3.5665 3.5665 3.7507 3.7507 4.4812 4.4812 4.5398 4.5398 8.7202 8.7202 8.7685 8.7685 9.4562 9.4562 9.5085 9.5085 k = 0.2248-0.3564-0.0000 ( 4129 PWs) bands (ev): -20.9711 -20.9711 -20.9503 -20.9503 -7.9802 -7.9802 -7.8681 -7.8681 -7.2814 -7.2814 -7.0494 -7.0494 -5.7868 -5.7868 -5.6127 -5.6127 -5.4379 -5.4379 -5.3345 -5.3345 1.5051 1.5051 2.0034 2.0034 3.1115 3.1115 3.4319 3.4319 3.5610 3.5610 3.7590 3.7590 4.4872 4.4872 4.5358 4.5358 8.7132 8.7132 8.7381 8.7381 9.4286 9.4286 9.4717 9.4717 k = 0.2173-0.3445-0.0000 ( 4129 PWs) bands (ev): -20.9723 -20.9723 -20.9509 -20.9509 -7.9809 -7.9809 -7.8656 -7.8656 -7.2772 -7.2772 -7.0489 -7.0489 -5.7788 -5.7788 -5.6049 -5.6049 -5.4349 -5.4349 -5.3318 -5.3318 1.5059 1.5059 2.0059 2.0059 3.0958 3.0958 3.4353 3.4353 3.5544 3.5544 3.7679 3.7679 4.4934 4.4934 4.5321 4.5321 8.6998 8.6998 8.7174 8.7174 9.4014 9.4014 9.4267 9.4267 k = 0.2098-0.3326-0.0000 ( 4125 PWs) bands (ev): -20.9736 -20.9736 -20.9515 -20.9515 -7.9825 -7.9825 -7.8621 -7.8621 -7.2729 -7.2729 -7.0485 -7.0485 -5.7695 -5.7695 -5.5972 -5.5972 -5.4321 -5.4321 -5.3295 -5.3295 1.5077 1.5077 2.0089 2.0089 3.0789 3.0789 3.4373 3.4373 3.5468 3.5468 3.7772 3.7772 4.4977 4.4977 4.5301 4.5301 8.6760 8.6760 8.7105 8.7105 9.3588 9.3588 9.3923 9.3923 k = 0.2023-0.3207-0.0000 ( 4117 PWs) bands (ev): -20.9749 -20.9749 -20.9522 -20.9522 -7.9850 -7.9850 -7.8576 -7.8576 -7.2684 -7.2684 -7.0480 -7.0480 -5.7592 -5.7592 -5.5896 -5.5896 -5.4293 -5.4293 -5.3275 -5.3275 1.5106 1.5106 2.0124 2.0124 3.0611 3.0611 3.4381 3.4381 3.5385 3.5385 3.7869 3.7869 4.4969 4.4969 4.5325 4.5325 8.6521 8.6521 8.7069 8.7069 9.2989 9.2989 9.3728 9.3728 k = 0.1948-0.3089-0.0000 ( 4115 PWs) bands (ev): -20.9762 -20.9762 -20.9528 -20.9528 -7.9885 -7.9885 -7.8517 -7.8517 -7.2639 -7.2639 -7.0477 -7.0477 -5.7479 -5.7479 -5.5821 -5.5821 -5.4266 -5.4266 -5.3257 -5.3257 1.5142 1.5142 2.0161 2.0161 3.0428 3.0428 3.4378 3.4378 3.5301 3.5301 3.7970 3.7970 4.4902 4.4902 4.5395 4.5395 8.6301 8.6301 8.7041 8.7041 9.2331 9.2331 9.3582 9.3582 k = 0.1873-0.2970-0.0000 ( 4113 PWs) bands (ev): -20.9775 -20.9775 -20.9535 -20.9535 -7.9930 -7.9930 -7.8445 -7.8445 -7.2594 -7.2594 -7.0473 -7.0473 -5.7356 -5.7356 -5.5747 -5.5747 -5.4241 -5.4241 -5.3242 -5.3242 1.5184 1.5184 2.0201 2.0201 3.0243 3.0243 3.4366 3.4366 3.5216 3.5216 3.8075 3.8075 4.4794 4.4794 4.5488 4.5488 8.6105 8.6105 8.7013 8.7013 9.1641 9.1641 9.3472 9.3472 k = 0.1798-0.2851-0.0000 ( 4115 PWs) bands (ev): -20.9789 -20.9789 -20.9542 -20.9542 -7.9986 -7.9986 -7.8361 -7.8361 -7.2550 -7.2550 -7.0469 -7.0469 -5.7225 -5.7225 -5.5675 -5.5675 -5.4219 -5.4219 -5.3228 -5.3228 1.5230 1.5230 2.0242 2.0242 3.0061 3.0061 3.4346 3.4346 3.5137 3.5137 3.8183 3.8183 4.4656 4.4656 4.5588 4.5588 8.5932 8.5932 8.6978 8.6978 9.0937 9.0937 9.3391 9.3391 k = 0.1723-0.2732 0.0000 ( 4119 PWs) bands (ev): -20.9802 -20.9802 -20.9548 -20.9548 -8.0049 -8.0049 -7.8264 -7.8264 -7.2508 -7.2508 -7.0466 -7.0466 -5.7086 -5.7086 -5.5604 -5.5604 -5.4199 -5.4199 -5.3215 -5.3215 1.5277 1.5277 2.0283 2.0283 2.9887 2.9887 3.4319 3.4319 3.5066 3.5066 3.8294 3.8294 4.4491 4.4491 4.5689 4.5689 8.5784 8.5784 8.6923 8.6923 9.0233 9.0233 9.3340 9.3340 k = 0.1648-0.2613 0.0000 ( 4121 PWs) bands (ev): -20.9815 -20.9815 -20.9555 -20.9555 -8.0120 -8.0120 -7.8155 -7.8155 -7.2470 -7.2470 -7.0461 -7.0461 -5.6942 -5.6942 -5.5535 -5.5535 -5.4182 -5.4182 -5.3202 -5.3202 1.5323 1.5323 2.0323 2.0323 2.9725 2.9725 3.4287 3.4287 3.5007 3.5007 3.8406 3.8406 4.4300 4.4300 4.5785 4.5785 8.5659 8.5659 8.6829 8.6829 8.9555 8.9555 9.3315 9.3315 k = 0.1573-0.2495-0.0000 ( 4127 PWs) bands (ev): -20.9829 -20.9829 -20.9562 -20.9562 -8.0196 -8.0196 -7.8036 -7.8036 -7.2437 -7.2437 -7.0455 -7.0455 -5.6793 -5.6793 -5.5469 -5.5469 -5.4169 -5.4169 -5.3187 -5.3187 1.5364 1.5364 2.0360 2.0360 2.9582 2.9582 3.4249 3.4249 3.4963 3.4963 3.8519 3.8519 4.4083 4.4083 4.5872 4.5872 8.5557 8.5557 8.6665 8.6665 8.8937 8.8937 9.3316 9.3316 k = 0.1498-0.2376 0.0000 ( 4129 PWs) bands (ev): -20.9842 -20.9842 -20.9569 -20.9569 -8.0277 -8.0277 -7.7907 -7.7907 -7.2408 -7.2408 -7.0448 -7.0448 -5.6641 -5.6641 -5.5405 -5.5405 -5.4161 -5.4161 -5.3170 -5.3170 1.5399 1.5399 2.0394 2.0394 2.9461 2.9461 3.4205 3.4205 3.4938 3.4938 3.8632 3.8632 4.3840 4.3840 4.5950 4.5950 8.5474 8.5474 8.6386 8.6386 8.8429 8.8429 9.3341 9.3341 k = 0.1424-0.2257 0.0000 ( 4133 PWs) bands (ev): -20.9854 -20.9854 -20.9576 -20.9576 -8.0361 -8.0361 -7.7770 -7.7770 -7.2387 -7.2387 -7.0439 -7.0439 -5.6486 -5.6486 -5.5345 -5.5345 -5.4156 -5.4156 -5.3151 -5.3151 1.5424 1.5424 2.0423 2.0423 2.9369 2.9369 3.4157 3.4157 3.4933 3.4933 3.8746 3.8746 4.3571 4.3571 4.6013 4.6013 8.5399 8.5399 8.5969 8.5969 8.8067 8.8067 9.3387 9.3387 k = 0.1349-0.2138-0.0000 ( 4125 PWs) bands (ev): -20.9867 -20.9867 -20.9583 -20.9583 -8.0447 -8.0447 -7.7624 -7.7624 -7.2373 -7.2373 -7.0428 -7.0428 -5.6330 -5.6330 -5.5287 -5.5287 -5.4156 -5.4156 -5.3128 -5.3128 1.5437 1.5437 2.0447 2.0447 2.9309 2.9309 3.4104 3.4104 3.4951 3.4951 3.8859 3.8859 4.3277 4.3277 4.6062 4.6062 8.5224 8.5224 8.5545 8.5545 8.7832 8.7832 9.3454 9.3454 k = 0.1274-0.2019-0.0000 ( 4119 PWs) bands (ev): -20.9879 -20.9879 -20.9590 -20.9590 -8.0534 -8.0534 -7.7473 -7.7473 -7.2367 -7.2367 -7.0415 -7.0415 -5.6176 -5.6176 -5.5233 -5.5233 -5.4159 -5.4159 -5.3102 -5.3102 1.5437 1.5437 2.0465 2.0465 2.9287 2.9287 3.4048 3.4048 3.4991 3.4991 3.8970 3.8970 4.2958 4.2958 4.6095 4.6095 8.4680 8.4680 8.5434 8.5434 8.7673 8.7673 9.3540 9.3540 k = 0.1199-0.1901-0.0000 ( 4111 PWs) bands (ev): -20.9891 -20.9891 -20.9596 -20.9596 -8.0621 -8.0621 -7.7315 -7.7315 -7.2370 -7.2370 -7.0398 -7.0398 -5.6022 -5.6022 -5.5184 -5.5184 -5.4167 -5.4167 -5.3072 -5.3072 1.5422 1.5422 2.0477 2.0477 2.9305 2.9305 3.3990 3.3990 3.5054 3.5054 3.9079 3.9079 4.2615 4.2615 4.6111 4.6111 8.4023 8.4023 8.5422 8.5422 8.7552 8.7552 9.3643 9.3643 k = 0.1124-0.1782 0.0000 ( 4115 PWs) bands (ev): -20.9903 -20.9903 -20.9603 -20.9603 -8.0706 -8.0706 -7.7153 -7.7153 -7.2383 -7.2383 -7.0380 -7.0380 -5.5872 -5.5872 -5.5139 -5.5139 -5.4177 -5.4177 -5.3039 -5.3039 1.5391 1.5391 2.0482 2.0482 2.9365 2.9365 3.3931 3.3931 3.5138 3.5138 3.9186 3.9186 4.2248 4.2248 4.6109 4.6109 8.3350 8.3350 8.5436 8.5436 8.7447 8.7447 9.3761 9.3761 k = 0.1049-0.1663-0.0000 ( 4119 PWs) bands (ev): -20.9914 -20.9914 -20.9609 -20.9609 -8.0790 -8.0790 -7.6988 -7.6988 -7.2406 -7.2406 -7.0359 -7.0359 -5.5727 -5.5727 -5.5099 -5.5099 -5.4189 -5.4189 -5.3002 -5.3002 1.5346 1.5346 2.0481 2.0481 2.9468 2.9468 3.3873 3.3873 3.5242 3.5242 3.9289 3.9289 4.1861 4.1861 4.6090 4.6090 8.2683 8.2683 8.5468 8.5468 8.7348 8.7348 9.3892 9.3892 k = 0.0974-0.1544 0.0000 ( 4123 PWs) bands (ev): -20.9924 -20.9924 -20.9615 -20.9615 -8.0871 -8.0871 -7.6820 -7.6820 -7.2438 -7.2438 -7.0336 -7.0336 -5.5586 -5.5586 -5.5063 -5.5063 -5.4203 -5.4203 -5.2962 -5.2962 1.5287 1.5287 2.0474 2.0474 2.9615 2.9615 3.3815 3.3815 3.5365 3.5365 3.9388 3.9388 4.1453 4.1453 4.6052 4.6052 8.2036 8.2036 8.5513 8.5513 8.7248 8.7248 9.4035 9.4035 k = 0.0899-0.1425-0.0000 ( 4121 PWs) bands (ev): -20.9934 -20.9934 -20.9620 -20.9620 -8.0948 -8.0948 -7.6650 -7.6650 -7.2479 -7.2479 -7.0311 -7.0311 -5.5452 -5.5452 -5.5033 -5.5033 -5.4218 -5.4218 -5.2921 -5.2921 1.5215 1.5215 2.0462 2.0462 2.9806 2.9806 3.3759 3.3759 3.5503 3.5503 3.9481 3.9481 4.1030 4.1030 4.5998 4.5998 8.1416 8.1416 8.5567 8.5567 8.7148 8.7148 9.4188 9.4188 k = 0.0824-0.1307 0.0000 ( 4129 PWs) bands (ev): -20.9943 -20.9943 -20.9626 -20.9626 -8.1022 -8.1022 -7.6480 -7.6480 -7.2529 -7.2529 -7.0286 -7.0286 -5.5326 -5.5326 -5.5008 -5.5008 -5.4232 -5.4232 -5.2877 -5.2877 1.5134 1.5134 2.0445 2.0445 3.0039 3.0039 3.3706 3.3706 3.5655 3.5655 3.9563 3.9563 4.0595 4.0595 4.5929 4.5929 8.0829 8.0829 8.5629 8.5629 8.7047 8.7047 9.4347 9.4347 k = 0.0749-0.1188 0.0000 ( 4127 PWs) bands (ev): -20.9952 -20.9952 -20.9631 -20.9631 -8.1090 -8.1090 -7.6312 -7.6312 -7.2587 -7.2587 -7.0260 -7.0260 -5.5209 -5.5209 -5.4986 -5.4986 -5.4247 -5.4247 -5.2833 -5.2833 1.5046 1.5046 2.0425 2.0425 3.0310 3.0310 3.3657 3.3657 3.5815 3.5815 3.9615 3.9615 4.0171 4.0171 4.5846 4.5846 8.0279 8.0279 8.5694 8.5694 8.6947 8.6947 9.4513 9.4513 k = 0.0674-0.1069 0.0000 ( 4125 PWs) bands (ev): -20.9960 -20.9960 -20.9635 -20.9635 -8.1154 -8.1154 -7.6146 -7.6146 -7.2652 -7.2652 -7.0234 -7.0234 -5.5104 -5.5104 -5.4966 -5.4966 -5.4261 -5.4261 -5.2790 -5.2790 1.4954 1.4954 2.0403 2.0403 3.0618 3.0618 3.3611 3.3611 3.5981 3.5981 3.9489 3.9489 3.9907 3.9907 4.5752 4.5752 7.9772 7.9772 8.5761 8.5761 8.6850 8.6850 9.4681 9.4681 k = 0.0599-0.0950 0.0000 ( 4129 PWs) bands (ev): -20.9967 -20.9967 -20.9640 -20.9640 -8.1212 -8.1212 -7.5985 -7.5985 -7.2722 -7.2722 -7.0209 -7.0209 -5.5023 -5.5023 -5.4935 -5.4935 -5.4274 -5.4274 -5.2747 -5.2747 1.4862 1.4862 2.0380 2.0380 3.0957 3.0957 3.3571 3.3571 3.6148 3.6148 3.9082 3.9082 3.9908 3.9908 4.5649 4.5649 7.9310 7.9310 8.5826 8.5826 8.6759 8.6759 9.4849 9.4849 k = 0.0524-0.0832-0.0000 ( 4137 PWs) bands (ev): -20.9974 -20.9974 -20.9643 -20.9643 -8.1264 -8.1264 -7.5829 -7.5829 -7.2796 -7.2796 -7.0185 -7.0185 -5.4987 -5.4987 -5.4872 -5.4872 -5.4287 -5.4287 -5.2707 -5.2707 1.4772 1.4772 2.0356 2.0356 3.1324 3.1324 3.3538 3.3538 3.6311 3.6311 3.8606 3.8606 3.9965 3.9965 4.5542 4.5542 7.8895 7.8895 8.5886 8.5886 8.6676 8.6676 9.5014 9.5014 k = 0.0450-0.0713-0.0000 ( 4131 PWs) bands (ev): -20.9979 -20.9979 -20.9647 -20.9647 -8.1310 -8.1310 -7.5683 -7.5683 -7.2871 -7.2871 -7.0164 -7.0164 -5.4975 -5.4975 -5.4796 -5.4796 -5.4300 -5.4300 -5.2670 -5.2670 1.4687 1.4687 2.0333 2.0333 3.1712 3.1712 3.3513 3.3513 3.6463 3.6463 3.8115 3.8115 4.0027 4.0027 4.5435 4.5435 7.8532 7.8532 8.5939 8.5939 8.6604 8.6604 9.5171 9.5171 k = 0.0375-0.0594 0.0000 ( 4129 PWs) bands (ev): -20.9984 -20.9984 -20.9649 -20.9649 -8.1350 -8.1350 -7.5549 -7.5549 -7.2945 -7.2945 -7.0145 -7.0145 -5.4972 -5.4972 -5.4724 -5.4724 -5.4313 -5.4313 -5.2637 -5.2637 1.4610 1.4610 2.0312 2.0312 3.2111 3.2111 3.3501 3.3501 3.6598 3.6598 3.7624 3.7624 4.0086 4.0086 4.5332 4.5332 7.8220 7.8220 8.5981 8.5981 8.6546 8.6546 9.5317 9.5317 k = 0.0300-0.0475 0.0000 ( 4125 PWs) bands (ev): -20.9988 -20.9988 -20.9652 -20.9652 -8.1382 -8.1382 -7.5429 -7.5429 -7.3015 -7.3015 -7.0128 -7.0128 -5.4971 -5.4971 -5.4660 -5.4660 -5.4327 -5.4327 -5.2609 -5.2609 1.4544 1.4544 2.0293 2.0293 3.2505 3.2505 3.3513 3.3513 3.6690 3.6690 3.7160 3.7160 4.0139 4.0139 4.5239 4.5239 7.7963 7.7963 8.6011 8.6011 8.6503 8.6503 9.5447 9.5447 k = 0.0225-0.0356-0.0000 ( 4133 PWs) bands (ev): -20.9991 -20.9991 -20.9654 -20.9654 -8.1408 -8.1408 -7.5329 -7.5329 -7.3076 -7.3076 -7.0115 -7.0115 -5.4971 -5.4971 -5.4605 -5.4605 -5.4343 -5.4343 -5.2586 -5.2586 1.4490 1.4490 2.0278 2.0278 3.2850 3.2850 3.3580 3.3580 3.6543 3.6543 3.6926 3.6926 4.0182 4.0182 4.5159 4.5159 7.7762 7.7762 8.6030 8.6030 8.6474 8.6474 9.5554 9.5554 k = 0.0150-0.0238 0.0000 ( 4135 PWs) bands (ev): -20.9994 -20.9994 -20.9655 -20.9655 -8.1426 -8.1426 -7.5253 -7.5253 -7.3124 -7.3124 -7.0106 -7.0106 -5.4972 -5.4972 -5.4561 -5.4561 -5.4358 -5.4358 -5.2569 -5.2569 1.4450 1.4450 2.0267 2.0267 3.3073 3.3073 3.3755 3.3755 3.6140 3.6140 3.6956 3.6956 4.0214 4.0214 4.5098 4.5098 7.7617 7.7617 8.6039 8.6039 8.6458 8.6458 9.5636 9.5636 k = 0.0075-0.0119 0.0000 ( 4137 PWs) bands (ev): -20.9995 -20.9995 -20.9656 -20.9656 -8.1437 -8.1437 -7.5205 -7.5205 -7.3155 -7.3155 -7.0100 -7.0100 -5.4973 -5.4973 -5.4530 -5.4530 -5.4372 -5.4372 -5.2559 -5.2559 1.4426 1.4426 2.0260 2.0260 3.3162 3.3162 3.3999 3.3999 3.5786 3.5786 3.6994 3.6994 4.0235 4.0235 4.5059 4.5059 7.7530 7.7530 8.6042 8.6042 8.6450 8.6450 9.5686 9.5686 k = 0.0000 0.0000 0.0000 ( 4141 PWs) bands (ev): -20.9996 -20.9996 -20.9656 -20.9656 -8.1441 -8.1441 -7.5189 -7.5189 -7.3166 -7.3166 -7.0098 -7.0098 -5.4974 -5.4974 -5.4519 -5.4519 -5.4378 -5.4378 -5.2555 -5.2555 1.4418 1.4418 2.0257 2.0257 3.3184 3.3184 3.4123 3.4123 3.5632 3.5632 3.7008 3.7008 4.0241 4.0241 4.5046 4.5046 7.7501 7.7501 8.6043 8.6043 8.6448 8.6448 9.5703 9.5703 k = 0.0000 0.0000 0.0000 ( 4141 PWs) bands (ev): -20.9996 -20.9996 -20.9656 -20.9656 -8.1441 -8.1441 -7.5189 -7.5189 -7.3166 -7.3166 -7.0098 -7.0098 -5.4974 -5.4974 -5.4519 -5.4519 -5.4378 -5.4378 -5.2555 -5.2555 1.4418 1.4418 2.0257 2.0257 3.3184 3.3184 3.4123 3.4123 3.5632 3.5632 3.7008 3.7008 4.0241 4.0241 4.5046 4.5046 7.7501 7.7501 8.6043 8.6043 8.6448 8.6448 9.5703 9.5703 k = 0.0125-0.0060-0.0024 ( 4136 PWs) bands (ev): -20.9995 -20.9995 -20.9656 -20.9656 -8.1437 -8.1437 -7.5206 -7.5206 -7.3155 -7.3155 -7.0101 -7.0101 -5.4974 -5.4974 -5.4531 -5.4531 -5.4371 -5.4371 -5.2559 -5.2559 1.4427 1.4427 2.0259 2.0259 3.3169 3.3169 3.4024 3.4024 3.5738 3.5738 3.7005 3.7005 4.0238 4.0238 4.5057 4.5057 7.7526 7.7526 8.6047 8.6047 8.6455 8.6455 9.5671 9.5671 k = 0.0250-0.0119-0.0047 ( 4134 PWs) bands (ev): -20.9994 -20.9994 -20.9655 -20.9655 -8.1425 -8.1425 -7.5255 -7.5255 -7.3122 -7.3122 -7.0107 -7.0107 -5.4975 -5.4975 -5.4561 -5.4561 -5.4356 -5.4356 -5.2570 -5.2570 1.4455 1.4455 2.0263 2.0263 3.3112 3.3112 3.3807 3.3807 3.5984 3.5984 3.7002 3.7002 4.0229 4.0229 4.5089 4.5089 7.7603 7.7603 8.6050 8.6050 8.6486 8.6486 9.5575 9.5575 k = 0.0375-0.0179-0.0071 ( 4130 PWs) bands (ev): -20.9991 -20.9991 -20.9653 -20.9653 -8.1406 -8.1406 -7.5333 -7.5333 -7.3070 -7.3070 -7.0119 -7.0119 -5.4976 -5.4976 -5.4604 -5.4604 -5.4338 -5.4338 -5.2588 -5.2588 1.4500 1.4500 2.0269 2.0269 3.2961 3.2961 3.3612 3.3612 3.6265 3.6265 3.7016 3.7016 4.0215 4.0215 4.5139 4.5139 7.7731 7.7731 8.6033 8.6033 8.6559 8.6559 9.5423 9.5423 k = 0.0500-0.0239-0.0095 ( 4133 PWs) bands (ev): -20.9988 -20.9988 -20.9652 -20.9652 -8.1380 -8.1380 -7.5436 -7.5436 -7.3005 -7.3005 -7.0134 -7.0134 -5.4980 -5.4980 -5.4656 -5.4656 -5.4320 -5.4320 -5.2612 -5.2612 1.4561 1.4561 2.0276 2.0276 3.2688 3.2688 3.3515 3.3515 3.6483 3.6483 3.7098 3.7098 4.0198 4.0198 4.5206 4.5206 7.7909 7.7909 8.5980 8.5980 8.6688 8.6688 9.5225 9.5225 k = 0.0625-0.0298-0.0118 ( 4130 PWs) bands (ev): -20.9983 -20.9983 -20.9649 -20.9649 -8.1346 -8.1346 -7.5558 -7.5558 -7.2930 -7.2930 -7.0154 -7.0154 -5.4986 -5.4986 -5.4714 -5.4714 -5.4305 -5.4305 -5.2643 -5.2643 1.4637 1.4637 2.0284 2.0284 3.2346 3.2346 3.3486 3.3486 3.6565 3.6565 3.7302 3.7302 4.0182 4.0182 4.5285 4.5285 7.8135 7.8135 8.5893 8.5893 8.6871 8.6871 9.4991 9.4991 k = 0.0750-0.0358-0.0142 ( 4131 PWs) bands (ev): -20.9978 -20.9978 -20.9646 -20.9646 -8.1306 -8.1306 -7.5695 -7.5695 -7.2850 -7.2850 -7.0178 -7.0178 -5.4998 -5.4998 -5.4775 -5.4775 -5.4291 -5.4291 -5.2679 -5.2679 1.4725 1.4725 2.0291 2.0291 3.1987 3.1987 3.3488 3.3488 3.6550 3.6550 3.7578 3.7578 4.0172 4.0172 4.5372 4.5372 7.8408 7.8408 8.5776 8.5776 8.7101 8.7101 9.4734 9.4734 k = 0.0875-0.0418-0.0166 ( 4129 PWs) bands (ev): -20.9972 -20.9972 -20.9643 -20.9643 -8.1258 -8.1258 -7.5844 -7.5844 -7.2768 -7.2768 -7.0205 -7.0205 -5.5021 -5.5021 -5.4835 -5.4835 -5.4280 -5.4280 -5.2719 -5.2719 1.4823 1.4823 2.0296 2.0296 3.1635 3.1635 3.3505 3.3505 3.6492 3.6492 3.7860 3.7860 4.0175 4.0175 4.5463 4.5463 7.8726 7.8726 8.5634 8.5634 8.7372 8.7372 9.4463 9.4463 k = 0.1000-0.0477-0.0189 ( 4127 PWs) bands (ev): -20.9965 -20.9965 -20.9639 -20.9639 -8.1205 -8.1205 -7.6003 -7.6003 -7.2685 -7.2685 -7.0235 -7.0235 -5.5065 -5.5065 -5.4883 -5.4883 -5.4271 -5.4271 -5.2763 -5.2763 1.4929 1.4929 2.0297 2.0297 3.1302 3.1302 3.3533 3.3533 3.6415 3.6415 3.8115 3.8115 4.0201 4.0201 4.5553 4.5553 7.9087 7.9087 8.5471 8.5471 8.7678 8.7678 9.4185 9.4185 k = 0.1125-0.0537-0.0213 ( 4123 PWs) bands (ev): -20.9957 -20.9957 -20.9635 -20.9635 -8.1146 -8.1146 -7.6167 -7.6167 -7.2605 -7.2605 -7.0269 -7.0269 -5.5133 -5.5133 -5.4916 -5.4916 -5.4264 -5.4264 -5.2810 -5.2810 1.5039 1.5039 2.0292 2.0292 3.0999 3.0999 3.3567 3.3567 3.6328 3.6328 3.8324 3.8324 4.0264 4.0264 4.5638 4.5638 7.9487 7.9487 8.5292 8.5292 8.8013 8.8013 9.3908 9.3908 k = 0.1250-0.0597-0.0236 ( 4116 PWs) bands (ev): -20.9949 -20.9949 -20.9630 -20.9630 -8.1081 -8.1081 -7.6336 -7.6336 -7.2528 -7.2528 -7.0304 -7.0304 -5.5221 -5.5221 -5.4938 -5.4938 -5.4260 -5.4260 -5.2859 -5.2859 1.5152 1.5152 2.0280 2.0280 3.0732 3.0732 3.3608 3.3608 3.6236 3.6236 3.8473 3.8473 4.0373 4.0373 4.5713 4.5713 7.9921 7.9921 8.5099 8.5099 8.8373 8.8373 9.3637 9.3637 k = 0.1375-0.0656-0.0260 ( 4120 PWs) bands (ev): -20.9940 -20.9940 -20.9625 -20.9625 -8.1012 -8.1012 -7.6508 -7.6508 -7.2456 -7.2456 -7.0342 -7.0342 -5.5322 -5.5322 -5.4955 -5.4955 -5.4260 -5.4260 -5.2909 -5.2909 1.5264 1.5264 2.0258 2.0258 3.0505 3.0505 3.3653 3.3653 3.6142 3.6142 3.8559 3.8559 4.0533 4.0533 4.5775 4.5775 8.0383 8.0383 8.4900 8.4900 8.8752 8.8752 9.3377 9.3377 k = 0.1500-0.0716-0.0284 ( 4117 PWs) bands (ev): -20.9930 -20.9930 -20.9620 -20.9620 -8.0939 -8.0939 -7.6682 -7.6682 -7.2389 -7.2389 -7.0381 -7.0381 -5.5432 -5.5432 -5.4970 -5.4970 -5.4262 -5.4262 -5.2961 -5.2961 1.5373 1.5373 2.0225 2.0225 3.0321 3.0321 3.3703 3.3703 3.6049 3.6049 3.8587 3.8587 4.0736 4.0736 4.5822 4.5822 8.0865 8.0865 8.4703 8.4703 8.9145 8.9145 9.3130 9.3130 k = 0.1625-0.0776-0.0307 ( 4117 PWs) bands (ev): -20.9919 -20.9919 -20.9614 -20.9614 -8.0862 -8.0862 -7.6855 -7.6855 -7.2327 -7.2327 -7.0421 -7.0421 -5.5547 -5.5547 -5.4987 -5.4987 -5.4268 -5.4268 -5.3014 -5.3014 1.5478 1.5478 2.0181 2.0181 3.0183 3.0183 3.3757 3.3757 3.5958 3.5958 3.8571 3.8571 4.0971 4.0971 4.5851 4.5851 8.1350 8.1350 8.4521 8.4521 8.9547 8.9547 9.2901 9.2901 k = 0.1750-0.0835-0.0331 ( 4118 PWs) bands (ev): -20.9908 -20.9908 -20.9608 -20.9608 -8.0783 -8.0783 -7.7028 -7.7028 -7.2272 -7.2272 -7.0461 -7.0461 -5.5667 -5.5667 -5.5004 -5.5004 -5.4278 -5.4278 -5.3067 -5.3067 1.5575 1.5575 2.0126 2.0126 3.0089 3.0089 3.3815 3.3815 3.5871 3.5871 3.8523 3.8523 4.1227 4.1227 4.5861 4.5861 8.1810 8.1810 8.4380 8.4380 8.9953 8.9953 9.2696 9.2696 k = 0.1875-0.0895-0.0355 ( 4122 PWs) bands (ev): -20.9897 -20.9897 -20.9602 -20.9602 -8.0701 -8.0701 -7.7198 -7.7198 -7.2223 -7.2223 -7.0501 -7.0501 -5.5789 -5.5789 -5.5022 -5.5022 -5.4292 -5.4292 -5.3121 -5.3121 1.5665 1.5665 2.0060 2.0060 3.0039 3.0039 3.3877 3.3877 3.5790 3.5790 3.8451 3.8451 4.1494 4.1494 4.5852 4.5852 8.2195 8.2195 8.4327 8.4327 9.0357 9.0357 9.2522 9.2522 k = 0.2000-0.0955-0.0378 ( 4124 PWs) bands (ev): -20.9885 -20.9885 -20.9596 -20.9596 -8.0619 -8.0619 -7.7366 -7.7366 -7.2179 -7.2179 -7.0540 -7.0540 -5.5912 -5.5912 -5.5041 -5.5041 -5.4310 -5.4310 -5.3176 -5.3176 1.5747 1.5747 1.9985 1.9985 3.0028 3.0028 3.3942 3.3942 3.5716 3.5716 3.8364 3.8364 4.1768 4.1768 4.5825 4.5825 8.2432 8.2432 8.4424 8.4424 9.0750 9.0750 9.2391 9.2391 k = 0.2125-0.1014-0.0402 ( 4125 PWs) bands (ev): -20.9872 -20.9872 -20.9590 -20.9590 -8.0536 -8.0536 -7.7530 -7.7530 -7.2142 -7.2142 -7.0579 -7.0579 -5.6035 -5.6035 -5.5062 -5.5062 -5.4333 -5.4333 -5.3232 -5.3232 1.5821 1.5821 1.9902 1.9902 3.0050 3.0050 3.4010 3.4010 3.5649 3.5649 3.8267 3.8267 4.2042 4.2042 4.5782 4.5782 8.2488 8.2488 8.4698 8.4698 9.1121 9.1121 9.2326 9.2326 k = 0.2250-0.1074-0.0426 ( 4128 PWs) bands (ev): -20.9860 -20.9860 -20.9583 -20.9583 -8.0453 -8.0453 -7.7690 -7.7690 -7.2110 -7.2110 -7.0616 -7.0616 -5.6155 -5.6155 -5.5084 -5.5084 -5.4359 -5.4359 -5.3290 -5.3290 1.5887 1.5887 1.9814 1.9814 3.0101 3.0101 3.4080 3.4080 3.5590 3.5590 3.8162 3.8162 4.2315 4.2315 4.5725 4.5725 8.2408 8.2408 8.5087 8.5087 9.1446 9.1446 9.2365 9.2365 k = 0.2375-0.1134-0.0449 ( 4130 PWs) bands (ev): -20.9847 -20.9847 -20.9577 -20.9577 -8.0372 -8.0372 -7.7845 -7.7845 -7.2082 -7.2082 -7.0652 -7.0652 -5.6273 -5.6273 -5.5107 -5.5107 -5.4389 -5.4389 -5.3350 -5.3350 1.5946 1.5946 1.9723 1.9723 3.0173 3.0173 3.4151 3.4151 3.5538 3.5538 3.8052 3.8052 4.2585 4.2585 4.5657 4.5657 8.2255 8.2255 8.5509 8.5509 9.1706 9.1706 9.2546 9.2546 k = 0.2500-0.1193-0.0473 ( 4124 PWs) bands (ev): -20.9834 -20.9834 -20.9571 -20.9571 -8.0294 -8.0294 -7.7995 -7.7995 -7.2059 -7.2059 -7.0686 -7.0686 -5.6386 -5.6386 -5.5131 -5.5131 -5.4422 -5.4422 -5.3413 -5.3413 1.6000 1.6000 1.9630 1.9630 3.0260 3.0260 3.4223 3.4223 3.5493 3.5493 3.7940 3.7940 4.2851 4.2851 4.5583 4.5583 8.2069 8.2069 8.5901 8.5901 9.1938 9.1938 9.2855 9.2855 k = 0.2625-0.1253-0.0497 ( 4122 PWs) bands (ev): -20.9821 -20.9821 -20.9564 -20.9564 -8.0218 -8.0218 -7.8138 -7.8138 -7.2039 -7.2039 -7.0718 -7.0718 -5.6493 -5.6493 -5.5155 -5.5155 -5.4458 -5.4458 -5.3480 -5.3480 1.6051 1.6051 1.9538 1.9538 3.0355 3.0355 3.4293 3.4293 3.5453 3.5453 3.7826 3.7826 4.3110 4.3110 4.5509 4.5509 8.1870 8.1870 8.6222 8.6222 9.2215 9.2215 9.3242 9.3242 k = 0.2750-0.1313-0.0520 ( 4118 PWs) bands (ev): -20.9807 -20.9807 -20.9558 -20.9558 -8.0145 -8.0145 -7.8275 -7.8275 -7.2021 -7.2021 -7.0749 -7.0749 -5.6594 -5.6594 -5.5181 -5.5181 -5.4497 -5.4497 -5.3549 -5.3549 1.6099 1.6099 1.9448 1.9448 3.0454 3.0454 3.4361 3.4361 3.5417 3.5417 3.7712 3.7712 4.3363 4.3363 4.5438 4.5438 8.1669 8.1669 8.6448 8.6448 9.2582 9.2582 9.3679 9.3679 k = 0.2875-0.1372-0.0544 ( 4122 PWs) bands (ev): -20.9794 -20.9794 -20.9552 -20.9552 -8.0077 -8.0077 -7.8406 -7.8406 -7.2004 -7.2004 -7.0779 -7.0779 -5.6686 -5.6686 -5.5206 -5.5206 -5.4537 -5.4537 -5.3623 -5.3623 1.6148 1.6148 1.9359 1.9359 3.0551 3.0551 3.4425 3.4425 3.5381 3.5381 3.7597 3.7597 4.3607 4.3607 4.5377 4.5377 8.1470 8.1470 8.6574 8.6574 9.3043 9.3043 9.4161 9.4161 k = 0.3000-0.1432-0.0567 ( 4117 PWs) bands (ev): -20.9781 -20.9781 -20.9546 -20.9546 -8.0014 -8.0014 -7.8529 -7.8529 -7.1988 -7.1988 -7.0808 -7.0808 -5.6770 -5.6770 -5.5233 -5.5233 -5.4578 -5.4578 -5.3701 -5.3701 1.6200 1.6200 1.9274 1.9274 3.0644 3.0644 3.4485 3.4485 3.5342 3.5342 3.7483 3.7483 4.3844 4.3844 4.5331 4.5331 8.1279 8.1279 8.6609 8.6609 9.3579 9.3579 9.4694 9.4694 k = 0.3125-0.1492-0.0591 ( 4118 PWs) bands (ev): -20.9769 -20.9769 -20.9541 -20.9541 -7.9957 -7.9957 -7.8644 -7.8644 -7.1972 -7.1972 -7.0837 -7.0837 -5.6845 -5.6845 -5.5260 -5.5260 -5.4621 -5.4621 -5.3782 -5.3782 1.6256 1.6256 1.9191 1.9191 3.0731 3.0731 3.4538 3.4538 3.5297 3.5297 3.7369 3.7369 4.4072 4.4072 4.5304 4.5304 8.1097 8.1097 8.6573 8.6573 9.4152 9.4152 9.5294 9.5294 k = 0.3250-0.1551-0.0615 ( 4120 PWs) bands (ev): -20.9756 -20.9756 -20.9535 -20.9535 -7.9905 -7.9905 -7.8753 -7.8753 -7.1954 -7.1954 -7.0865 -7.0865 -5.6909 -5.6909 -5.5288 -5.5288 -5.4663 -5.4663 -5.3866 -5.3866 1.6317 1.6317 1.9110 1.9110 3.0810 3.0810 3.4584 3.4584 3.5244 3.5244 3.7256 3.7256 4.4290 4.4290 4.5299 4.5299 8.0927 8.0927 8.6483 8.6483 9.4732 9.4732 9.5968 9.5968 k = 0.3375-0.1611-0.0638 ( 4114 PWs) bands (ev): -20.9744 -20.9744 -20.9530 -20.9530 -7.9858 -7.9858 -7.8853 -7.8853 -7.1934 -7.1934 -7.0893 -7.0893 -5.6963 -5.6963 -5.5317 -5.5317 -5.4704 -5.4704 -5.3953 -5.3953 1.6385 1.6385 1.9031 1.9031 3.0882 3.0882 3.4620 3.4620 3.5183 3.5183 3.7144 3.7144 4.4499 4.4499 4.5317 4.5317 8.0768 8.0768 8.6356 8.6356 9.5303 9.5303 9.6709 9.6709 k = 0.3500-0.1671-0.0662 ( 4111 PWs) bands (ev): -20.9733 -20.9733 -20.9526 -20.9526 -7.9817 -7.9817 -7.8946 -7.8946 -7.1912 -7.1912 -7.0921 -7.0921 -5.7006 -5.7006 -5.5348 -5.5348 -5.4744 -5.4744 -5.4042 -5.4042 1.6461 1.6461 1.8953 1.8953 3.0948 3.0948 3.4641 3.4641 3.5117 3.5117 3.7032 3.7032 4.4699 4.4699 4.5358 4.5358 8.0622 8.0622 8.6205 8.6205 9.5863 9.5863 9.7495 9.7495 k = 0.3625-0.1731-0.0686 ( 4114 PWs) bands (ev): -20.9722 -20.9722 -20.9521 -20.9521 -7.9782 -7.9782 -7.9031 -7.9031 -7.1887 -7.1887 -7.0951 -7.0951 -5.7039 -5.7039 -5.5381 -5.5381 -5.4783 -5.4783 -5.4132 -5.4132 1.6546 1.6546 1.8875 1.8875 3.1007 3.1007 3.4635 3.4635 3.5058 3.5058 3.6923 3.6923 4.4889 4.4889 4.5418 4.5418 8.0490 8.0490 8.6041 8.6041 9.6419 9.6419 9.8294 9.8294 k = 0.3750-0.1790-0.0709 ( 4116 PWs) bands (ev): -20.9712 -20.9712 -20.9517 -20.9517 -7.9752 -7.9752 -7.9109 -7.9109 -7.1859 -7.1859 -7.0981 -7.0981 -5.7060 -5.7060 -5.5416 -5.5416 -5.4818 -5.4818 -5.4221 -5.4221 1.6638 1.6638 1.8797 1.8797 3.1062 3.1062 3.4590 3.4590 3.5019 3.5019 3.6817 3.6817 4.5069 4.5069 4.5495 4.5495 8.0370 8.0370 8.5873 8.5873 9.6976 9.6976 9.9076 9.9076 k = 0.3875-0.1850-0.0733 ( 4113 PWs) bands (ev): -20.9702 -20.9702 -20.9514 -20.9514 -7.9726 -7.9726 -7.9180 -7.9180 -7.1829 -7.1829 -7.1012 -7.1012 -5.7072 -5.7072 -5.5454 -5.5454 -5.4849 -5.4849 -5.4308 -5.4308 1.6738 1.6738 1.8718 1.8718 3.1113 3.1113 3.4501 3.4501 3.5008 3.5008 3.6715 3.6715 4.5238 4.5238 4.5584 4.5584 8.0264 8.0264 8.5706 8.5706 9.7537 9.7537 9.9812 9.9812 k = 0.4000-0.1910-0.0757 ( 4114 PWs) bands (ev): -20.9693 -20.9693 -20.9510 -20.9510 -7.9704 -7.9704 -7.9244 -7.9244 -7.1796 -7.1796 -7.1043 -7.1043 -5.7074 -5.7074 -5.5496 -5.5496 -5.4877 -5.4877 -5.4392 -5.4392 1.6845 1.6845 1.8637 1.8637 3.1161 3.1161 3.4379 3.4379 3.5018 3.5018 3.6619 3.6619 4.5393 4.5393 4.5683 4.5683 8.0170 8.0170 8.5546 8.5546 9.8101 9.8101 10.0480 10.0480 k = 0.4125-0.1969-0.0780 ( 4114 PWs) bands (ev): -20.9685 -20.9685 -20.9508 -20.9508 -7.9685 -7.9685 -7.9301 -7.9301 -7.1761 -7.1761 -7.1076 -7.1076 -5.7068 -5.7068 -5.5540 -5.5540 -5.4899 -5.4899 -5.4471 -5.4471 1.6958 1.6958 1.8554 1.8554 3.1207 3.1207 3.4239 3.4239 3.5039 3.5039 3.6530 3.6530 4.5531 4.5531 4.5786 4.5786 8.0089 8.0089 8.5396 8.5396 9.8666 9.8666 10.1063 10.1063 k = 0.4250-0.2029-0.0804 ( 4106 PWs) bands (ev): -20.9678 -20.9678 -20.9505 -20.9505 -7.9668 -7.9668 -7.9353 -7.9353 -7.1724 -7.1724 -7.1109 -7.1109 -5.7055 -5.7055 -5.5586 -5.5586 -5.4916 -5.4916 -5.4544 -5.4544 1.7076 1.7076 1.8468 1.8468 3.1251 3.1251 3.4094 3.4094 3.5064 3.5064 3.6450 3.6450 4.5650 4.5650 4.5892 4.5892 8.0020 8.0020 8.5259 8.5259 9.9229 9.9229 10.1549 10.1549 k = 0.4375-0.2089-0.0828 ( 4101 PWs) bands (ev): -20.9672 -20.9672 -20.9503 -20.9503 -7.9652 -7.9652 -7.9399 -7.9399 -7.1687 -7.1687 -7.1143 -7.1143 -5.7036 -5.7036 -5.5633 -5.5633 -5.4927 -5.4927 -5.4610 -5.4610 1.7196 1.7196 1.8378 1.8378 3.1293 3.1293 3.3951 3.3951 3.5090 3.5090 3.6379 3.6379 4.5748 4.5748 4.5995 4.5995 7.9963 7.9963 8.5140 8.5140 9.9783 9.9783 10.1930 10.1930 k = 0.4500-0.2148-0.0851 ( 4104 PWs) bands (ev): -20.9666 -20.9666 -20.9502 -20.9502 -7.9637 -7.9637 -7.9439 -7.9439 -7.1651 -7.1651 -7.1176 -7.1176 -5.7016 -5.7016 -5.5678 -5.5678 -5.4932 -5.4932 -5.4668 -5.4668 1.7317 1.7317 1.8285 1.8285 3.1332 3.1332 3.3820 3.3820 3.5114 3.5114 3.6319 3.6319 4.5826 4.5826 4.6089 4.6089 7.9917 7.9917 8.5039 8.5039 10.0319 10.0319 10.2196 10.2196 k = 0.4625-0.2208-0.0875 ( 4103 PWs) bands (ev): -20.9662 -20.9662 -20.9500 -20.9500 -7.9621 -7.9621 -7.9475 -7.9475 -7.1617 -7.1617 -7.1206 -7.1206 -5.6995 -5.6995 -5.5719 -5.5719 -5.4933 -5.4933 -5.4717 -5.4717 1.7437 1.7437 1.8190 1.8190 3.1367 3.1367 3.3708 3.3708 3.5135 3.5135 3.6270 3.6270 4.5886 4.5886 4.6168 4.6168 7.9882 7.9882 8.4959 8.4959 10.0826 10.0826 10.2341 10.2341 k = 0.4750-0.2268-0.0898 ( 4098 PWs) bands (ev): -20.9659 -20.9659 -20.9500 -20.9500 -7.9604 -7.9604 -7.9507 -7.9507 -7.1588 -7.1588 -7.1232 -7.1232 -5.6977 -5.6977 -5.5751 -5.5751 -5.4930 -5.4930 -5.4755 -5.4755 1.7550 1.7550 1.8095 1.8095 3.1394 3.1394 3.3621 3.3621 3.5152 3.5152 3.6234 3.6234 4.5928 4.5928 4.6228 4.6228 7.9857 7.9857 8.4901 8.4901 10.1289 10.1289 10.2359 10.2359 k = 0.4875-0.2327-0.0922 ( 4099 PWs) bands (ev): -20.9658 -20.9658 -20.9499 -20.9499 -7.9586 -7.9586 -7.9534 -7.9534 -7.1568 -7.1568 -7.1251 -7.1251 -5.6964 -5.6964 -5.5772 -5.5772 -5.4926 -5.4926 -5.4781 -5.4781 1.7647 1.7647 1.8010 1.8010 3.1411 3.1411 3.3567 3.3567 3.5162 3.5162 3.6212 3.6212 4.5953 4.5953 4.6265 4.6265 7.9842 7.9842 8.4865 8.4865 10.1689 10.1689 10.2254 10.2254 k = 0.5000-0.2387-0.0946 ( 4096 PWs) bands (ev): -20.9657 -20.9657 -20.9499 -20.9499 -7.9573 -7.9573 -7.9549 -7.9549 -7.1561 -7.1561 -7.1257 -7.1257 -5.6960 -5.6960 -5.5779 -5.5779 -5.4923 -5.4923 -5.4790 -5.4790 1.7692 1.7692 1.7969 1.7969 3.1417 3.1417 3.3548 3.3548 3.5166 3.5166 3.6204 3.6204 4.5961 4.5961 4.6278 4.6278 7.9838 7.9838 8.4853 8.4853 10.1953 10.1953 10.2088 10.2088 k = 0.5000-0.2387 0.1941 ( 4116 PWs) bands (ev): -20.9623 -20.9623 -20.9533 -20.9533 -8.1144 -8.1144 -7.7169 -7.7169 -7.3591 -7.3591 -6.9679 -6.9679 -5.8706 -5.8706 -5.6494 -5.6494 -5.4582 -5.4582 -5.2857 -5.2857 1.5781 1.5781 1.8002 1.8002 3.1579 3.1579 3.4086 3.4086 3.6045 3.6045 3.9272 3.9272 4.2313 4.2313 4.7410 4.7410 7.2598 7.2598 9.6956 9.6956 10.0096 10.0096 10.2135 10.2135 k = 0.4881-0.2330 0.1895 ( 4115 PWs) bands (ev): -20.9624 -20.9624 -20.9533 -20.9533 -8.1139 -8.1139 -7.7177 -7.7177 -7.3586 -7.3586 -6.9681 -6.9681 -5.8699 -5.8699 -5.6491 -5.6491 -5.4581 -5.4581 -5.2859 -5.2859 1.5786 1.5786 1.8006 1.8006 3.1581 3.1581 3.4077 3.4077 3.6029 3.6029 3.9258 3.9258 4.2337 4.2337 4.7406 4.7406 7.2617 7.2617 9.6898 9.6898 9.9965 9.9965 10.2251 10.2251 k = 0.4762-0.2273 0.1849 ( 4108 PWs) bands (ev): -20.9626 -20.9626 -20.9533 -20.9533 -8.1123 -8.1123 -7.7200 -7.7200 -7.3571 -7.3571 -6.9687 -6.9687 -5.8677 -5.8677 -5.6481 -5.6481 -5.4578 -5.4578 -5.2864 -5.2864 1.5801 1.5801 1.8020 1.8020 3.1587 3.1587 3.4051 3.4051 3.5982 3.5982 3.9219 3.9219 4.2407 4.2407 4.7393 4.7393 7.2675 7.2675 9.6726 9.6726 9.9639 9.9639 10.2532 10.2532 k = 0.4643-0.2216 0.1802 ( 4107 PWs) bands (ev): -20.9629 -20.9629 -20.9534 -20.9534 -8.1096 -8.1096 -7.7238 -7.7238 -7.3547 -7.3547 -6.9696 -6.9696 -5.8640 -5.8640 -5.6464 -5.6464 -5.4574 -5.4574 -5.2873 -5.2873 1.5825 1.5825 1.8043 1.8043 3.1595 3.1595 3.4010 3.4010 3.5907 3.5907 3.9156 3.9156 4.2518 4.2518 4.7372 4.7372 7.2770 7.2770 9.6448 9.6448 9.9217 9.9217 10.2871 10.2871 k = 0.4524-0.2160 0.1756 ( 4104 PWs) bands (ev): -20.9633 -20.9633 -20.9534 -20.9534 -8.1059 -8.1059 -7.7291 -7.7291 -7.3513 -7.3513 -6.9708 -6.9708 -5.8590 -5.8590 -5.6440 -5.6440 -5.4568 -5.4568 -5.2886 -5.2886 1.5859 1.5859 1.8075 1.8075 3.1603 3.1603 3.3955 3.3955 3.5811 3.5811 3.9071 3.9071 4.2664 4.2664 4.7341 4.7341 7.2903 7.2903 9.6076 9.6076 9.8750 9.8750 10.3209 10.3209 k = 0.4405-0.2103 0.1710 ( 4103 PWs) bands (ev): -20.9638 -20.9638 -20.9535 -20.9535 -8.1012 -8.1012 -7.7357 -7.7357 -7.3472 -7.3472 -6.9724 -6.9724 -5.8526 -5.8526 -5.6411 -5.6411 -5.4561 -5.4561 -5.2902 -5.2902 1.5901 1.5901 1.8115 1.8115 3.1605 3.1605 3.3890 3.3890 3.5699 3.5699 3.8968 3.8968 4.2837 4.2837 4.7300 4.7300 7.3073 7.3073 9.5625 9.5625 9.8257 9.8257 10.3513 10.3513 k = 0.4286-0.2046 0.1664 ( 4106 PWs) bands (ev): -20.9645 -20.9645 -20.9536 -20.9536 -8.0955 -8.0955 -7.7434 -7.7434 -7.3423 -7.3423 -6.9742 -6.9742 -5.8449 -5.8449 -5.6374 -5.6374 -5.4551 -5.4551 -5.2922 -5.2922 1.5952 1.5952 1.8163 1.8163 3.1598 3.1598 3.3822 3.3822 3.5579 3.5579 3.8849 3.8849 4.3030 4.3030 4.7248 4.7248 7.3280 7.3280 9.5114 9.5114 9.7744 9.7744 10.3760 10.3760 k = 0.4167-0.1989 0.1617 ( 4107 PWs) bands (ev): -20.9652 -20.9652 -20.9537 -20.9537 -8.0888 -8.0888 -7.7523 -7.7523 -7.3367 -7.3367 -6.9764 -6.9764 -5.8360 -5.8360 -5.6332 -5.6332 -5.4541 -5.4541 -5.2945 -5.2945 1.6009 1.6009 1.8219 1.8219 3.1573 3.1573 3.3759 3.3759 3.5455 3.5455 3.8716 3.8716 4.3237 4.3237 4.7184 4.7184 7.3524 7.3524 9.4559 9.4559 9.7214 9.7214 10.3929 10.3929 k = 0.4048-0.1932 0.1571 ( 4107 PWs) bands (ev): -20.9660 -20.9660 -20.9539 -20.9539 -8.0812 -8.0812 -7.7620 -7.7620 -7.3306 -7.3306 -6.9789 -6.9789 -5.8260 -5.8260 -5.6283 -5.6283 -5.4528 -5.4528 -5.2971 -5.2971 1.6072 1.6072 1.8283 1.8283 3.1523 3.1523 3.3710 3.3710 3.5334 3.5334 3.8570 3.8570 4.3452 4.3452 4.7108 4.7108 7.3803 7.3803 9.3974 9.3974 9.6668 9.6668 10.3997 10.3997 k = 0.3929-0.1875 0.1525 ( 4107 PWs) bands (ev): -20.9670 -20.9670 -20.9541 -20.9541 -8.0727 -8.0727 -7.7726 -7.7726 -7.3239 -7.3239 -6.9815 -6.9815 -5.8150 -5.8150 -5.6229 -5.6229 -5.4514 -5.4514 -5.3000 -5.3000 1.6140 1.6140 1.8353 1.8353 3.1442 3.1442 3.3686 3.3686 3.5218 3.5218 3.8413 3.8413 4.3670 4.3670 4.7018 4.7018 7.4117 7.4117 9.3369 9.3369 9.6110 9.6110 10.3936 10.3936 k = 0.3810-0.1819 0.1479 ( 4106 PWs) bands (ev): -20.9679 -20.9679 -20.9543 -20.9543 -8.0635 -8.0635 -7.7837 -7.7837 -7.3169 -7.3169 -6.9845 -6.9845 -5.8031 -5.8031 -5.6169 -5.6169 -5.4499 -5.4499 -5.3031 -5.3031 1.6211 1.6211 1.8429 1.8429 3.1327 3.1327 3.3693 3.3693 3.5110 3.5110 3.8247 3.8247 4.3887 4.3887 4.6914 4.6914 7.4464 7.4464 9.2753 9.2753 9.5545 9.5545 10.3728 10.3728 k = 0.3690-0.1762 0.1433 ( 4109 PWs) bands (ev): -20.9690 -20.9690 -20.9546 -20.9546 -8.0536 -8.0536 -7.7953 -7.7953 -7.3096 -7.3096 -6.9876 -6.9876 -5.7904 -5.7904 -5.6103 -5.6103 -5.4482 -5.4482 -5.3064 -5.3064 1.6283 1.6283 1.8510 1.8510 3.1178 3.1178 3.3735 3.3735 3.5011 3.5011 3.8071 3.8071 4.4100 4.4100 4.6794 4.6794 7.4844 7.4844 9.2131 9.2131 9.4979 9.4979 10.3370 10.3370 k = 0.3571-0.1705 0.1386 ( 4110 PWs) bands (ev): -20.9701 -20.9701 -20.9549 -20.9549 -8.0431 -8.0431 -7.8071 -7.8071 -7.3021 -7.3021 -6.9909 -6.9909 -5.7771 -5.7771 -5.6033 -5.6033 -5.4464 -5.4464 -5.3100 -5.3100 1.6355 1.6355 1.8596 1.8596 3.1002 3.1002 3.3810 3.3810 3.4923 3.4923 3.7889 3.7889 4.4306 4.4306 4.6659 4.6659 7.5253 7.5253 9.1509 9.1509 9.4417 9.4417 10.2879 10.2879 k = 0.3452-0.1648 0.1340 ( 4112 PWs) bands (ev): -20.9713 -20.9713 -20.9552 -20.9552 -8.0322 -8.0322 -7.8188 -7.8188 -7.2944 -7.2944 -6.9943 -6.9943 -5.7631 -5.7631 -5.5958 -5.5958 -5.4444 -5.4444 -5.3137 -5.3137 1.6424 1.6424 1.8686 1.8686 3.0808 3.0808 3.3915 3.3915 3.4845 3.4845 3.7701 3.7701 4.4501 4.4501 4.6509 4.6509 7.5690 7.5690 9.0889 9.0889 9.3866 9.3866 10.2287 10.2287 k = 0.3333-0.1591 0.1294 ( 4114 PWs) bands (ev): -20.9725 -20.9725 -20.9555 -20.9555 -8.0213 -8.0213 -7.8302 -7.8302 -7.2867 -7.2867 -6.9978 -6.9978 -5.7487 -5.7487 -5.5880 -5.5880 -5.4424 -5.4424 -5.3175 -5.3175 1.6489 1.6489 1.8778 1.8778 3.0603 3.0603 3.4043 3.4043 3.4781 3.4781 3.7509 3.7509 4.4682 4.4682 4.6344 4.6344 7.6152 7.6152 9.0274 9.0274 9.3331 9.3331 10.1623 10.1623 k = 0.3214-0.1534 0.1248 ( 4111 PWs) bands (ev): -20.9738 -20.9738 -20.9559 -20.9559 -8.0106 -8.0106 -7.8407 -7.8407 -7.2790 -7.2790 -7.0014 -7.0014 -5.7339 -5.7339 -5.5798 -5.5798 -5.4403 -5.4403 -5.3213 -5.3213 1.6546 1.6546 1.8874 1.8874 3.0396 3.0396 3.4187 3.4187 3.4734 3.4734 3.7316 3.7316 4.4844 4.4844 4.6167 4.6167 7.6635 7.6635 8.9669 8.9669 9.2817 9.2817 10.0913 10.0913 k = 0.3095-0.1478 0.1202 ( 4110 PWs) bands (ev): -20.9751 -20.9751 -20.9563 -20.9563 -8.0008 -8.0008 -7.8498 -7.8498 -7.2714 -7.2714 -7.0051 -7.0051 -5.7189 -5.7189 -5.5714 -5.5714 -5.4381 -5.4381 -5.3251 -5.3251 1.6593 1.6593 1.8970 1.8970 3.0196 3.0196 3.4333 3.4333 3.4714 3.4714 3.7122 3.7122 4.4978 4.4978 4.5985 4.5985 7.7134 7.7134 8.9075 8.9075 9.2329 9.2329 10.0174 10.0174 k = 0.2976-0.1421 0.1155 ( 4111 PWs) bands (ev): -20.9764 -20.9764 -20.9568 -20.9568 -7.9927 -7.9927 -7.8566 -7.8566 -7.2641 -7.2641 -7.0087 -7.0087 -5.7038 -5.7038 -5.5627 -5.5627 -5.4358 -5.4358 -5.3287 -5.3287 1.6628 1.6628 1.9068 1.9068 3.0009 3.0009 3.4446 3.4446 3.4753 3.4753 3.6931 3.6931 4.5066 4.5066 4.5816 4.5816 7.7645 7.7645 8.8498 8.8498 9.1869 9.1869 9.9421 9.9421 k = 0.2857-0.1364 0.1109 ( 4118 PWs) bands (ev): -20.9777 -20.9777 -20.9572 -20.9572 -7.9874 -7.9874 -7.8600 -7.8600 -7.2571 -7.2571 -7.0123 -7.0123 -5.6887 -5.6887 -5.5540 -5.5540 -5.4336 -5.4336 -5.3321 -5.3321 1.6649 1.6649 1.9165 1.9165 2.9840 2.9840 3.4492 3.4492 3.4879 3.4879 3.6745 3.6745 4.5064 4.5064 4.5703 4.5703 7.8158 7.8158 8.7943 8.7943 9.1442 9.1442 9.8666 9.8666 k = 0.2738-0.1307 0.1063 ( 4119 PWs) bands (ev): -20.9791 -20.9791 -20.9577 -20.9577 -7.9856 -7.9856 -7.8591 -7.8591 -7.2504 -7.2504 -7.0158 -7.0158 -5.6736 -5.6736 -5.5453 -5.5453 -5.4314 -5.4314 -5.3351 -5.3351 1.6653 1.6653 1.9261 1.9261 2.9696 2.9696 3.4501 3.4501 3.5058 3.5058 3.6571 3.6571 4.4935 4.4935 4.5682 4.5682 7.8665 7.8665 8.7417 8.7417 9.1050 9.1050 9.7917 9.7917 k = 0.2619-0.1250 0.1017 ( 4115 PWs) bands (ev): -20.9804 -20.9804 -20.9582 -20.9582 -7.9878 -7.9878 -7.8536 -7.8536 -7.2443 -7.2443 -7.0191 -7.0191 -5.6586 -5.6586 -5.5368 -5.5368 -5.4295 -5.4295 -5.3375 -5.3375 1.6640 1.6640 1.9356 1.9356 2.9580 2.9580 3.4502 3.4502 3.5252 3.5252 3.6415 3.6415 4.4713 4.4713 4.5720 4.5720 7.9152 7.9152 8.6931 8.6931 9.0694 9.0694 9.7183 9.7183 k = 0.2500-0.1193 0.0970 ( 4116 PWs) bands (ev): -20.9818 -20.9818 -20.9587 -20.9587 -7.9933 -7.9933 -7.8441 -7.8441 -7.2389 -7.2389 -7.0221 -7.0221 -5.6439 -5.6439 -5.5286 -5.5286 -5.4277 -5.4277 -5.3393 -5.3393 1.6607 1.6607 1.9448 1.9448 2.9496 2.9496 3.4503 3.4503 3.5435 3.5435 3.6294 3.6294 4.4440 4.4440 4.5773 4.5773 7.9601 7.9601 8.6497 8.6497 9.0375 9.0375 9.6471 9.6471 k = 0.2381-0.1137 0.0924 ( 4113 PWs) bands (ev): -20.9831 -20.9831 -20.9592 -20.9592 -8.0013 -8.0013 -7.8314 -7.8314 -7.2342 -7.2342 -7.0249 -7.0249 -5.6295 -5.6295 -5.5207 -5.5207 -5.4263 -5.4263 -5.3401 -5.3401 1.6555 1.6555 1.9536 1.9536 2.9446 2.9446 3.4504 3.4504 3.5572 3.5572 3.6243 3.6243 4.4138 4.4138 4.5824 4.5824 7.9991 7.9991 8.6132 8.6132 9.0095 9.0095 9.5789 9.5789 k = 0.2262-0.1080 0.0878 ( 4113 PWs) bands (ev): -20.9845 -20.9845 -20.9597 -20.9597 -8.0108 -8.0108 -7.8164 -7.8164 -7.2305 -7.2305 -7.0272 -7.0272 -5.6154 -5.6154 -5.5134 -5.5134 -5.4253 -5.4253 -5.3399 -5.3399 1.6483 1.6483 1.9621 1.9621 2.9433 2.9433 3.4501 3.4501 3.5622 3.5622 3.6306 3.6306 4.3814 4.3814 4.5864 4.5864 8.0295 8.0295 8.5855 8.5855 8.9853 8.9853 9.5145 9.5145 k = 0.2143-0.1023 0.0832 ( 4118 PWs) bands (ev): -20.9858 -20.9858 -20.9601 -20.9601 -8.0212 -8.0212 -7.7998 -7.7998 -7.2277 -7.2277 -7.0290 -7.0290 -5.6017 -5.6017 -5.5068 -5.5068 -5.4248 -5.4248 -5.3385 -5.3385 1.6393 1.6393 1.9701 1.9701 2.9457 2.9457 3.4488 3.4488 3.5606 3.5606 3.6466 3.6466 4.3474 4.3474 4.5890 4.5890 8.0488 8.0488 8.5683 8.5683 8.9648 8.9648 9.4551 9.4551 k = 0.2024-0.0966 0.0786 ( 4117 PWs) bands (ev): -20.9871 -20.9871 -20.9606 -20.9606 -8.0320 -8.0320 -7.7820 -7.7820 -7.2262 -7.2262 -7.0304 -7.0304 -5.5884 -5.5884 -5.5009 -5.5009 -5.4248 -5.4248 -5.3358 -5.3358 1.6286 1.6286 1.9775 1.9775 2.9518 2.9518 3.4458 3.4458 3.5581 3.5581 3.6670 3.6670 4.3120 4.3120 4.5902 4.5902 8.0558 8.0558 8.5617 8.5617 8.9474 8.9474 9.4019 9.4019 k = 0.1905-0.0909 0.0739 ( 4116 PWs) bands (ev): -20.9884 -20.9884 -20.9611 -20.9611 -8.0429 -8.0429 -7.7635 -7.7635 -7.2258 -7.2258 -7.0311 -7.0311 -5.5757 -5.5757 -5.4960 -5.4960 -5.4252 -5.4252 -5.3321 -5.3321 1.6164 1.6164 1.9844 1.9844 2.9616 2.9616 3.4408 3.4408 3.5577 3.5577 3.6889 3.6889 4.2755 4.2755 4.5899 4.5899 8.0508 8.0508 8.5643 8.5643 8.9324 8.9324 9.3568 9.3568 k = 0.1786-0.0852 0.0693 ( 4114 PWs) bands (ev): -20.9896 -20.9896 -20.9616 -20.9616 -8.0537 -8.0537 -7.7444 -7.7444 -7.2267 -7.2267 -7.0313 -7.0313 -5.5634 -5.5634 -5.4919 -5.4919 -5.4259 -5.4259 -5.3273 -5.3273 1.6030 1.6030 1.9907 1.9907 2.9749 2.9749 3.4338 3.4338 3.5604 3.5604 3.7109 3.7109 4.2384 4.2384 4.5883 4.5883 8.0361 8.0361 8.5729 8.5729 8.9182 8.9182 9.3221 9.3221 k = 0.1667-0.0796 0.0647 ( 4112 PWs) bands (ev): -20.9908 -20.9908 -20.9621 -20.9621 -8.0643 -8.0643 -7.7250 -7.7250 -7.2288 -7.2288 -7.0309 -7.0309 -5.5518 -5.5518 -5.4888 -5.4888 -5.4267 -5.4267 -5.3216 -5.3216 1.5887 1.5887 1.9964 1.9964 2.9916 2.9916 3.4253 3.4253 3.5659 3.5659 3.7321 3.7321 4.2010 4.2010 4.5852 4.5852 8.0145 8.0145 8.5840 8.5840 8.9027 8.9027 9.3001 9.3001 k = 0.1548-0.0739 0.0601 ( 4115 PWs) bands (ev): -20.9919 -20.9919 -20.9625 -20.9625 -8.0744 -8.0744 -7.7054 -7.7054 -7.2322 -7.2322 -7.0299 -7.0299 -5.5407 -5.5407 -5.4866 -5.4866 -5.4275 -5.4275 -5.3154 -5.3154 1.5737 1.5737 2.0015 2.0015 3.0115 3.0115 3.4159 3.4159 3.5739 3.5739 3.7518 3.7518 4.1639 4.1639 4.5809 4.5809 7.9886 7.9886 8.5949 8.5949 8.8841 8.8841 9.2922 9.2922 k = 0.1429-0.0682 0.0555 ( 4114 PWs) bands (ev): -20.9929 -20.9929 -20.9629 -20.9629 -8.0841 -8.0841 -7.6857 -7.6857 -7.2368 -7.2368 -7.0285 -7.0285 -5.5302 -5.5302 -5.4852 -5.4852 -5.4282 -5.4282 -5.3088 -5.3088 1.5583 1.5583 2.0059 2.0059 3.0343 3.0343 3.4061 3.4061 3.5837 3.5837 3.7690 3.7690 4.1279 4.1279 4.5755 4.5755 7.9607 7.9607 8.6040 8.6040 8.8615 8.8615 9.2983 9.2983 k = 0.1310-0.0625 0.0508 ( 4118 PWs) bands (ev): -20.9939 -20.9939 -20.9633 -20.9633 -8.0932 -8.0932 -7.6661 -7.6661 -7.2425 -7.2425 -7.0268 -7.0268 -5.5205 -5.5205 -5.4844 -5.4844 -5.4289 -5.4289 -5.3019 -5.3019 1.5429 1.5429 2.0098 2.0098 3.0597 3.0597 3.3964 3.3964 3.5948 3.5948 3.7826 3.7826 4.0940 4.0940 4.5692 4.5692 7.9321 7.9321 8.6108 8.6108 8.8354 8.8354 9.3162 9.3162 k = 0.1190-0.0568 0.0462 ( 4110 PWs) bands (ev): -20.9949 -20.9949 -20.9637 -20.9637 -8.1017 -8.1017 -7.6468 -7.6468 -7.2491 -7.2491 -7.0248 -7.0248 -5.5117 -5.5117 -5.4840 -5.4840 -5.4294 -5.4294 -5.2951 -5.2951 1.5279 1.5279 2.0132 2.0132 3.0875 3.0875 3.3871 3.3871 3.6066 3.6066 3.7910 3.7910 4.0638 4.0638 4.5621 4.5621 7.9039 7.9039 8.6154 8.6154 8.8073 8.8073 9.3428 9.3428 k = 0.1071-0.0511 0.0416 ( 4112 PWs) bands (ev): -20.9957 -20.9957 -20.9640 -20.9640 -8.1095 -8.1095 -7.6278 -7.6278 -7.2566 -7.2566 -7.0226 -7.0226 -5.5040 -5.5040 -5.4836 -5.4836 -5.4298 -5.4298 -5.2885 -5.2885 1.5133 1.5133 2.0160 2.0160 3.1174 3.1174 3.3785 3.3785 3.6186 3.6186 3.7922 3.7922 4.0394 4.0394 4.5544 4.5544 7.8771 7.8771 8.6182 8.6182 8.7788 8.7788 9.3746 9.3746 k = 0.0952-0.0455 0.0370 ( 4116 PWs) bands (ev): -20.9965 -20.9965 -20.9644 -20.9644 -8.1166 -8.1166 -7.6094 -7.6094 -7.2647 -7.2647 -7.0204 -7.0204 -5.4983 -5.4983 -5.4822 -5.4822 -5.4303 -5.4303 -5.2822 -5.2822 1.4996 1.4996 2.0184 2.0184 3.1490 3.1490 3.3708 3.3708 3.6304 3.6304 3.7846 3.7846 4.0223 4.0223 4.5465 4.5465 7.8520 7.8520 8.6195 8.6195 8.7511 8.7511 9.4087 9.4087 k = 0.0833-0.0398 0.0323 ( 4121 PWs) bands (ev): -20.9972 -20.9972 -20.9646 -20.9646 -8.1229 -8.1229 -7.5918 -7.5918 -7.2732 -7.2732 -7.0183 -7.0183 -5.4954 -5.4954 -5.4788 -5.4788 -5.4309 -5.4309 -5.2764 -5.2764 1.4869 1.4869 2.0203 2.0203 3.1819 3.1819 3.3643 3.3643 3.6412 3.6412 3.7681 3.7681 4.0131 4.0131 4.5385 4.5385 7.8291 7.8291 8.6196 8.6196 8.7254 8.7254 9.4426 9.4426 k = 0.0714-0.0341 0.0277 ( 4125 PWs) bands (ev): -20.9978 -20.9978 -20.9649 -20.9649 -8.1284 -8.1284 -7.5753 -7.5753 -7.2820 -7.2820 -7.0162 -7.0162 -5.4946 -5.4946 -5.4740 -5.4740 -5.4316 -5.4316 -5.2711 -5.2711 1.4755 1.4755 2.0219 2.0219 3.2154 3.2154 3.3592 3.3592 3.6502 3.6502 3.7449 3.7449 4.0101 4.0101 4.5308 4.5308 7.8087 7.8087 8.6187 8.6187 8.7025 8.7025 9.4745 9.4745 k = 0.0595-0.0284 0.0231 ( 4132 PWs) bands (ev): -20.9983 -20.9983 -20.9651 -20.9651 -8.1332 -8.1332 -7.5600 -7.5600 -7.2906 -7.2906 -7.0144 -7.0144 -5.4950 -5.4950 -5.4687 -5.4687 -5.4324 -5.4324 -5.2665 -5.2665 1.4655 1.4655 2.0232 2.0232 3.2484 3.2484 3.3564 3.3564 3.6547 3.6547 3.7197 3.7197 4.0113 4.0113 4.5236 4.5236 7.7912 7.7912 8.6170 8.6170 8.6832 8.6832 9.5030 9.5030 k = 0.0476-0.0227 0.0185 ( 4133 PWs) bands (ev): -20.9988 -20.9988 -20.9653 -20.9653 -8.1371 -8.1371 -7.5464 -7.5464 -7.2987 -7.2987 -7.0128 -7.0128 -5.4956 -5.4956 -5.4636 -5.4636 -5.4335 -5.4335 -5.2626 -5.2626 1.4572 1.4572 2.0242 2.0242 3.2786 3.2786 3.3575 3.3575 3.6478 3.6478 3.7016 3.7016 4.0145 4.0145 4.5172 4.5172 7.7765 7.7765 8.6144 8.6144 8.6678 8.6678 9.5270 9.5270 k = 0.0357-0.0170 0.0139 ( 4137 PWs) bands (ev): -20.9991 -20.9991 -20.9654 -20.9654 -8.1401 -8.1401 -7.5350 -7.5350 -7.3059 -7.3059 -7.0115 -7.0115 -5.4963 -5.4963 -5.4592 -5.4592 -5.4348 -5.4348 -5.2596 -5.2596 1.4505 1.4505 2.0249 2.0249 3.3015 3.3015 3.3662 3.3662 3.6251 3.6251 3.6971 3.6971 4.0181 4.0181 4.5119 4.5119 7.7650 7.7650 8.6111 8.6111 8.6568 8.6568 9.5460 9.5460 k = 0.0238-0.0114 0.0092 ( 4138 PWs) bands (ev): -20.9994 -20.9994 -20.9655 -20.9655 -8.1423 -8.1423 -7.5263 -7.5263 -7.3116 -7.3116 -7.0106 -7.0106 -5.4969 -5.4969 -5.4555 -5.4555 -5.4361 -5.4361 -5.2573 -5.2573 1.4457 1.4457 2.0254 2.0254 3.3132 3.3132 3.3841 3.3841 3.5969 3.5969 3.6983 3.6983 4.0213 4.0213 4.5079 4.5079 7.7568 7.7568 8.6077 8.6077 8.6497 8.6497 9.5595 9.5595 k = 0.0119-0.0057 0.0046 ( 4138 PWs) bands (ev): -20.9995 -20.9995 -20.9656 -20.9656 -8.1436 -8.1436 -7.5208 -7.5208 -7.3153 -7.3153 -7.0100 -7.0100 -5.4972 -5.4972 -5.4529 -5.4529 -5.4373 -5.4373 -5.2560 -5.2560 1.4428 1.4428 2.0257 2.0257 3.3174 3.3174 3.4036 3.4036 3.5731 3.5731 3.7001 3.7001 4.0234 4.0234 4.5055 4.5055 7.7518 7.7518 8.6052 8.6052 8.6460 8.6460 9.5676 9.5676 k = 0.0000 0.0000 0.0000 ( 4141 PWs) bands (ev): -20.9996 -20.9996 -20.9656 -20.9656 -8.1441 -8.1441 -7.5189 -7.5189 -7.3166 -7.3166 -7.0098 -7.0098 -5.4974 -5.4974 -5.4519 -5.4519 -5.4378 -5.4378 -5.2555 -5.2555 1.4418 1.4418 2.0257 2.0257 3.3184 3.3184 3.4123 3.4123 3.5632 3.5632 3.7008 3.7008 4.0241 4.0241 4.5046 4.5046 7.7501 7.7501 8.6043 8.6043 8.6448 8.6448 9.5703 9.5703 Writing output data file BaC2.save init_run : 1.20s CPU 1.73s WALL ( 1 calls) electrons : 115.75s CPU 119.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.21s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 115.74s CPU 119.20s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 332 calls) cegterg : 107.10s CPU 108.67s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 55.51s CPU 56.77s WALL ( 6826 calls) s_psi : 3.37s CPU 3.33s WALL ( 6826 calls) g_psi : 0.18s CPU 0.20s WALL ( 6110 calls) cdiaghg : 42.46s CPU 42.69s WALL ( 6442 calls) cegterg:over : 4.51s CPU 4.54s WALL ( 6110 calls) cegterg:upda : 4.02s CPU 4.21s WALL ( 6110 calls) cegterg:last : 1.73s CPU 1.79s WALL ( 1052 calls) cdiaghg:chol : 2.30s CPU 2.37s WALL ( 6442 calls) cdiaghg:inve : 1.51s CPU 1.47s WALL ( 6442 calls) cdiaghg:para : 2.43s CPU 2.49s WALL ( 12884 calls) Called by h_psi: h_psi:vloc : 47.45s CPU 48.48s WALL ( 6826 calls) h_psi:vnl : 7.94s CPU 8.11s WALL ( 6826 calls) add_vuspsi : 3.62s CPU 3.91s WALL ( 6826 calls) General routines calbec : 4.30s CPU 4.18s WALL ( 6826 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.60s CPU 44.48s WALL ( 656076 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.21s WALL ( 664 calls) Parallel routines fft_scatter : 17.19s CPU 17.66s WALL ( 656099 calls) PWSCF : 2m10.32s CPU 2m45.29s WALL This run was terminated on: 16:11:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=