Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:19:14 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: ./YCl.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 70 50 14 1465 878 141 Max 71 51 15 1467 894 144 Sum 2547 1825 533 52775 31917 5147 bravais-lattice index = 14 lattice parameter (alat) = 17.8150 a.u. unit-cell volume = 754.9676 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.815003 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.920788 celldm(5)= 0.920788 celldm(6)= 0.920788 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.920788 0.390063 0.000000 ) a(3) = ( 0.920788 0.186989 0.342322 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.360611 -1.400376 ) b(2) = ( 0.000000 2.563686 -1.400376 ) b(3) = ( 0.000000 0.000000 2.921222 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Y 11.00 88.90590 Y( 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= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0102041 -0.0240879 -0.0142896), wk = 0.0032154 k( 3) = ( 0.0204082 -0.0481757 -0.0285791), wk = 0.0032154 k( 4) = ( 0.0306122 -0.0722636 -0.0428687), wk = 0.0032154 k( 5) = ( 0.0408163 -0.0963515 -0.0571582), wk = 0.0032154 k( 6) = ( 0.0510204 -0.1204393 -0.0714478), wk = 0.0032154 k( 7) = ( 0.0612245 -0.1445272 -0.0857373), wk = 0.0032154 k( 8) = ( 0.0714286 -0.1686151 -0.1000269), wk = 0.0032154 k( 9) = ( 0.0816327 -0.1927029 -0.1143164), wk = 0.0032154 k( 10) = ( 0.0918367 -0.2167908 -0.1286060), wk = 0.0032154 k( 11) = ( 0.1020408 -0.2408787 -0.1428956), wk = 0.0032154 k( 12) = ( 0.1122449 -0.2649666 -0.1571851), wk = 0.0032154 k( 13) = ( 0.1224490 -0.2890544 -0.1714747), wk = 0.0032154 k( 14) = ( 0.1326531 -0.3131423 -0.1857642), wk = 0.0032154 k( 15) = ( 0.1428571 -0.3372301 -0.2000538), wk = 0.0032154 k( 16) = ( 0.1530612 -0.3613180 -0.2143433), wk = 0.0032154 k( 17) = ( 0.1632653 -0.3854059 -0.2286329), wk = 0.0032154 k( 18) = ( 0.1734694 -0.4094938 -0.2429225), wk = 0.0032154 k( 19) = ( 0.1836735 -0.4335816 -0.2572120), wk = 0.0032154 k( 20) = ( 0.1938776 -0.4576695 -0.2715016), wk = 0.0032154 k( 21) = ( 0.2040816 -0.4817574 -0.2857911), wk = 0.0032154 k( 22) = ( 0.2142857 -0.5058452 -0.3000807), wk = 0.0032154 k( 23) = ( 0.2244898 -0.5299331 -0.3143702), wk = 0.0032154 k( 24) = ( 0.2346939 -0.5540210 -0.3286598), wk = 0.0032154 k( 25) = ( 0.2448980 -0.5781088 -0.3429493), wk = 0.0032154 k( 26) = ( 0.2551020 -0.6021967 -0.3572389), wk = 0.0032154 k( 27) = ( 0.2653061 -0.6262846 -0.3715284), wk = 0.0032154 k( 28) = ( 0.2755102 -0.6503724 -0.3858180), wk = 0.0032154 k( 29) = ( 0.2857143 -0.6744603 -0.4001076), wk = 0.0032154 k( 30) = ( 0.2959184 -0.6985482 -0.4143971), wk = 0.0032154 k( 31) = ( 0.3061224 -0.7226360 -0.4286867), wk = 0.0032154 k( 32) = ( 0.3163265 -0.7467239 -0.4429762), wk = 0.0032154 k( 33) = ( 0.3265306 -0.7708118 -0.4572658), wk = 0.0032154 k( 34) = ( 0.3367347 -0.7948996 -0.4715553), wk = 0.0032154 k( 35) = ( 0.3469388 -0.8189875 -0.4858449), wk = 0.0032154 k( 36) = ( 0.3571429 -0.8430754 -0.5001345), wk = 0.0032154 k( 37) = ( 0.3673469 -0.8671633 -0.5144240), wk = 0.0032154 k( 38) = ( 0.3775510 -0.8912511 -0.5287136), wk = 0.0032154 k( 39) = ( 0.3877551 -0.9153390 -0.5430031), wk = 0.0032154 k( 40) = ( 0.3979592 -0.9394268 -0.5572927), wk = 0.0032154 k( 41) = ( 0.4081633 -0.9635147 -0.5715822), wk = 0.0032154 k( 42) = ( 0.4183674 -0.9876026 -0.5858718), wk = 0.0032154 k( 43) = ( 0.4285714 -1.0116905 -0.6001613), wk = 0.0032154 k( 44) = ( 0.4387755 -1.0357783 -0.6144509), wk = 0.0032154 k( 45) = ( 0.4489796 -1.0598662 -0.6287404), wk = 0.0032154 k( 46) = ( 0.4591837 -1.0839541 -0.6430300), wk = 0.0032154 k( 47) = ( 0.4693878 -1.1080419 -0.6573196), wk = 0.0032154 k( 48) = ( 0.4795918 -1.1321298 -0.6716091), wk = 0.0032154 k( 49) = ( 0.4897959 -1.1562177 -0.6858987), wk = 0.0032154 k( 50) = ( 0.5000000 -1.1803055 -0.7001882), wk = 0.0032154 k( 51) = ( 0.5000000 -1.1803055 -0.7001882), wk = 0.0032154 k( 52) = ( 0.5000000 -1.1652688 -0.7255357), wk = 0.0032154 k( 53) = ( 0.5000000 -1.1502320 -0.7508831), wk = 0.0032154 k( 54) = ( 0.5000000 -1.1351953 -0.7762305), wk = 0.0032154 k( 55) = ( 0.5000000 -1.1201585 -0.8015779), wk = 0.0032154 k( 56) = ( 0.5000000 -1.1051217 -0.8269254), wk = 0.0032154 k( 57) = ( 0.5000000 -1.0900850 -0.8522728), wk = 0.0032154 k( 58) = ( 0.5000000 -1.0750482 -0.8776202), wk = 0.0032154 k( 59) = ( 0.5000000 -1.0600115 -0.9029677), wk = 0.0032154 k( 60) = ( 0.5000000 -1.0449747 -0.9283151), wk = 0.0032154 k( 61) = ( 0.5000000 -1.0299379 -0.9536625), wk = 0.0032154 k( 62) = ( 0.5000000 -1.0149012 -0.9790100), wk = 0.0032154 k( 63) = ( 0.5000000 -0.9998644 -1.0043574), wk = 0.0032154 k( 64) = ( 0.5000000 -0.9848277 -1.0297048), wk = 0.0032154 k( 65) = ( 0.5000000 -0.9697909 -1.0550522), wk = 0.0032154 k( 66) = ( 0.5000000 -0.9547541 -1.0803997), wk = 0.0032154 k( 67) = ( 0.5000000 -0.9397174 -1.1057471), wk = 0.0032154 k( 68) = ( 0.5000000 -0.9246806 -1.1310945), wk = 0.0032154 k( 69) = ( 0.5000000 -0.9096438 -1.1564420), wk = 0.0032154 k( 70) = ( 0.5000000 -0.8946071 -1.1817894), wk = 0.0032154 k( 71) = ( 0.5000000 -0.8795703 -1.2071368), wk = 0.0032154 k( 72) = ( 0.5000000 -0.8645336 -1.2324842), wk = 0.0032154 k( 73) = ( 0.5000000 -0.8494968 -1.2578317), wk = 0.0032154 k( 74) = ( 0.5000000 -0.8344600 -1.2831791), wk = 0.0032154 k( 75) = ( 0.5000000 -0.8194233 -1.3085265), wk = 0.0032154 k( 76) = ( 0.5000000 -0.8043866 -1.3338739), wk = 0.0032154 k( 77) = ( 0.5000000 -0.7893498 -1.3592213), wk = 0.0032154 k( 78) = ( 0.5000000 -0.7743130 -1.3845688), wk = 0.0032154 k( 79) = ( 0.5000000 -0.7592763 -1.4099162), wk = 0.0032154 k( 80) = ( 0.5000000 -0.7442395 -1.4352636), wk = 0.0032154 k( 81) = ( 0.5000000 -0.7292028 -1.4606111), wk = 0.0032154 k( 82) = ( 0.8240413 -0.6633982 -1.3401419), wk = 0.0032154 k( 83) = ( 0.8181496 -0.6494902 -1.3146805), wk = 0.0032154 k( 84) = ( 0.8122580 -0.6355823 -1.2892191), wk = 0.0032154 k( 85) = ( 0.8063663 -0.6216744 -1.2637577), wk = 0.0032154 k( 86) = ( 0.8004747 -0.6077665 -1.2382963), wk = 0.0032154 k( 87) = ( 0.7945830 -0.5938586 -1.2128349), wk = 0.0032154 k( 88) = ( 0.7886914 -0.5799507 -1.1873735), wk = 0.0032154 k( 89) = ( 0.7827997 -0.5660427 -1.1619121), wk = 0.0032154 k( 90) = ( 0.7769080 -0.5521348 -1.1364507), wk = 0.0032154 k( 91) = ( 0.7710164 -0.5382269 -1.1109894), wk = 0.0032154 k( 92) = ( 0.7651247 -0.5243190 -1.0855280), wk = 0.0032154 k( 93) = ( 0.7592330 -0.5104111 -1.0600666), wk = 0.0032154 k( 94) = ( 0.7533414 -0.4965032 -1.0346052), wk = 0.0032154 k( 95) = ( 0.7474497 -0.4825952 -1.0091438), wk = 0.0032154 k( 96) = ( 0.7415581 -0.4686873 -0.9836824), wk = 0.0032154 k( 97) = ( 0.7356664 -0.4547794 -0.9582210), wk = 0.0032154 k( 98) = ( 0.7297747 -0.4408715 -0.9327596), wk = 0.0032154 k( 99) = ( 0.7238831 -0.4269635 -0.9072982), wk = 0.0032154 k( 100) = ( 0.7179914 -0.4130556 -0.8818368), wk = 0.0032154 k( 101) = ( 0.7120998 -0.3991477 -0.8563754), wk = 0.0032154 k( 102) = ( 0.7062081 -0.3852398 -0.8309140), wk = 0.0032154 k( 103) = ( 0.7003164 -0.3713319 -0.8054526), wk = 0.0032154 k( 104) = ( 0.6944248 -0.3574239 -0.7799912), wk = 0.0032154 k( 105) = ( 0.6885331 -0.3435160 -0.7545299), wk = 0.0032154 k( 106) = ( 0.6826415 -0.3296081 -0.7290685), wk = 0.0032154 k( 107) = ( 0.6767498 -0.3157002 -0.7036071), wk = 0.0032154 k( 108) = ( 0.6708581 -0.3017923 -0.6781457), wk = 0.0032154 k( 109) = ( 0.6649665 -0.2878844 -0.6526843), wk = 0.0032154 k( 110) = ( 0.6590748 -0.2739764 -0.6272229), wk = 0.0032154 k( 111) = ( 0.6531832 -0.2600685 -0.6017615), wk = 0.0032154 k( 112) = ( 0.6472915 -0.2461606 -0.5763001), wk = 0.0032154 k( 113) = ( 0.6413998 -0.2322527 -0.5508387), wk = 0.0032154 k( 114) = ( 0.6355082 -0.2183448 -0.5253773), wk = 0.0032154 k( 115) = ( 0.6296165 -0.2044369 -0.4999160), wk = 0.0032154 k( 116) = ( 0.6237249 -0.1905289 -0.4744546), wk = 0.0032154 k( 117) = ( 0.6178332 -0.1766210 -0.4489932), wk = 0.0032154 k( 118) = ( 0.6119415 -0.1627131 -0.4235318), wk = 0.0032154 k( 119) = ( 0.6060499 -0.1488052 -0.3980704), wk = 0.0032154 k( 120) = ( 0.6001582 -0.1348973 -0.3726090), wk = 0.0032154 k( 121) = ( 0.5942666 -0.1209893 -0.3471476), wk = 0.0032154 k( 122) = ( 0.5883749 -0.1070814 -0.3216862), wk = 0.0032154 k( 123) = ( 0.5824832 -0.0931735 -0.2962248), wk = 0.0032154 k( 124) = ( 0.5765916 -0.0792656 -0.2707635), wk = 0.0032154 k( 125) = ( 0.5706999 -0.0653577 -0.2453021), wk = 0.0032154 k( 126) = ( 0.5648083 -0.0514498 -0.2198407), wk = 0.0032154 k( 127) = ( 0.5589166 -0.0375418 -0.1943793), wk = 0.0032154 k( 128) = ( 0.5530249 -0.0236339 -0.1689179), wk = 0.0032154 k( 129) = ( 0.5471333 -0.0097260 -0.1434565), wk = 0.0032154 k( 130) = ( 0.5412416 0.0041819 -0.1179951), wk = 0.0032154 k( 131) = ( 0.5353500 0.0180898 -0.0925337), wk = 0.0032154 k( 132) = ( 0.5294583 0.0319978 -0.0670723), wk = 0.0032154 k( 133) = ( 0.5235666 0.0459057 -0.0416109), wk = 0.0032154 k( 134) = ( 0.5176750 0.0598136 -0.0161496), wk = 0.0032154 k( 135) = ( 0.5117833 0.0737215 0.0093118), wk = 0.0032154 k( 136) = ( 0.5058917 0.0876294 0.0347732), wk = 0.0032154 k( 137) = ( 0.5000000 0.1015373 0.0602346), wk = 0.0032154 k( 138) = ( 0.5000000 0.1015373 0.0602346), wk = 0.0032154 k( 139) = ( 0.4722222 0.0958964 0.0568882), wk = 0.0032154 k( 140) = ( 0.4444444 0.0902554 0.0535419), wk = 0.0032154 k( 141) = ( 0.4166667 0.0846145 0.0501955), wk = 0.0032154 k( 142) = ( 0.3888889 0.0789735 0.0468491), wk = 0.0032154 k( 143) = ( 0.3611111 0.0733325 0.0435028), wk = 0.0032154 k( 144) = ( 0.3333333 0.0676916 0.0401564), wk = 0.0032154 k( 145) = ( 0.3055556 0.0620506 0.0368100), wk = 0.0032154 k( 146) = ( 0.2777778 0.0564096 0.0334637), wk = 0.0032154 k( 147) = ( 0.2500000 0.0507687 0.0301173), wk = 0.0032154 k( 148) = ( 0.2222222 0.0451277 0.0267709), wk = 0.0032154 k( 149) = ( 0.1944444 0.0394867 0.0234246), wk = 0.0032154 k( 150) = ( 0.1666667 0.0338458 0.0200782), wk = 0.0032154 k( 151) = ( 0.1388889 0.0282048 0.0167318), wk = 0.0032154 k( 152) = ( 0.1111111 0.0225639 0.0133855), wk = 0.0032154 k( 153) = ( 0.0833333 0.0169229 0.0100391), wk = 0.0032154 k( 154) = ( 0.0555556 0.0112819 0.0066927), wk = 0.0032154 k( 155) = ( 0.0277778 0.0056410 0.0033464), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0059295 -0.0139971 -0.0256247), wk = 0.0032154 k( 159) = ( 0.0118589 -0.0279943 -0.0512495), wk = 0.0032154 k( 160) = ( 0.0177884 -0.0419915 -0.0768743), wk = 0.0032154 k( 161) = ( 0.0237178 -0.0559886 -0.1024990), wk = 0.0032154 k( 162) = ( 0.0296473 -0.0699858 -0.1281238), wk = 0.0032154 k( 163) = ( 0.0355768 -0.0839829 -0.1537485), wk = 0.0032154 k( 164) = ( 0.0415062 -0.0979801 -0.1793733), wk = 0.0032154 k( 165) = ( 0.0474357 -0.1119772 -0.2049981), wk = 0.0032154 k( 166) = ( 0.0533652 -0.1259744 -0.2306228), wk = 0.0032154 k( 167) = ( 0.0592946 -0.1399715 -0.2562475), wk = 0.0032154 k( 168) = ( 0.0652241 -0.1539687 -0.2818723), wk = 0.0032154 k( 169) = ( 0.0711535 -0.1679659 -0.3074971), wk = 0.0032154 k( 170) = ( 0.0770830 -0.1819630 -0.3331218), wk = 0.0032154 k( 171) = ( 0.0830125 -0.1959602 -0.3587466), wk = 0.0032154 k( 172) = ( 0.0889419 -0.2099573 -0.3843713), wk = 0.0032154 k( 173) = ( 0.0948714 -0.2239545 -0.4099961), wk = 0.0032154 k( 174) = ( 0.1008009 -0.2379516 -0.4356209), wk = 0.0032154 k( 175) = ( 0.1067303 -0.2519488 -0.4612456), wk = 0.0032154 k( 176) = ( 0.1126598 -0.2659459 -0.4868703), wk = 0.0032154 k( 177) = ( 0.1185892 -0.2799431 -0.5124951), wk = 0.0032154 k( 178) = ( 0.1245187 -0.2939402 -0.5381199), wk = 0.0032154 k( 179) = ( 0.1304482 -0.3079374 -0.5637446), wk = 0.0032154 k( 180) = ( 0.1363776 -0.3219345 -0.5893694), wk = 0.0032154 k( 181) = ( 0.1423071 -0.3359317 -0.6149941), wk = 0.0032154 k( 182) = ( 0.1482366 -0.3499289 -0.6406189), wk = 0.0032154 k( 183) = ( 0.1541660 -0.3639260 -0.6662437), wk = 0.0032154 k( 184) = ( 0.1600955 -0.3779232 -0.6918684), wk = 0.0032154 k( 185) = ( 0.1660249 -0.3919203 -0.7174932), wk = 0.0032154 k( 186) = ( 0.1719544 -0.4059175 -0.7431179), wk = 0.0032154 k( 187) = ( 0.1778839 -0.4199146 -0.7687427), wk = 0.0032154 k( 188) = ( 0.1838133 -0.4339118 -0.7943674), wk = 0.0032154 k( 189) = ( 0.1897428 -0.4479089 -0.8199922), wk = 0.0032154 k( 190) = ( 0.1956722 -0.4619061 -0.8456169), wk = 0.0032154 k( 191) = ( 0.2016017 -0.4759033 -0.8712417), wk = 0.0032154 k( 192) = ( 0.2075312 -0.4899004 -0.8968665), wk = 0.0032154 k( 193) = ( 0.2134606 -0.5038976 -0.9224912), wk = 0.0032154 k( 194) = ( 0.2193901 -0.5178947 -0.9481160), wk = 0.0032154 k( 195) = ( 0.2253196 -0.5318918 -0.9737407), wk = 0.0032154 k( 196) = ( 0.2312490 -0.5458890 -0.9993655), wk = 0.0032154 k( 197) = ( 0.2371785 -0.5598862 -1.0249902), wk = 0.0032154 k( 198) = ( 0.2431079 -0.5738833 -1.0506150), wk = 0.0032154 k( 199) = ( 0.2490374 -0.5878805 -1.0762397), wk = 0.0032154 k( 200) = ( 0.2549669 -0.6018776 -1.1018645), wk = 0.0032154 k( 201) = ( 0.2608963 -0.6158748 -1.1274893), wk = 0.0032154 k( 202) = ( 0.2668258 -0.6298719 -1.1531140), wk = 0.0032154 k( 203) = ( 0.2727553 -0.6438691 -1.1787388), wk = 0.0032154 k( 204) = ( 0.2786847 -0.6578662 -1.2043635), wk = 0.0032154 k( 205) = ( 0.2846142 -0.6718634 -1.2299883), wk = 0.0032154 k( 206) = ( 0.2905436 -0.6858606 -1.2556130), wk = 0.0032154 k( 207) = ( 0.2964731 -0.6998577 -1.2812378), wk = 0.0032154 k( 208) = ( 0.3024026 -0.7138549 -1.3068625), wk = 0.0032154 k( 209) = ( 0.3083320 -0.7278520 -1.3324873), wk = 0.0032154 k( 210) = ( 0.3142615 -0.7418492 -1.3581121), wk = 0.0032154 k( 211) = ( 0.3201910 -0.7558463 -1.3837368), wk = 0.0032154 k( 212) = ( 0.3261204 -0.7698435 -1.4093616), wk = 0.0032154 k( 213) = ( 0.3320499 -0.7838406 -1.4349863), wk = 0.0032154 k( 214) = ( 0.3379794 -0.7978378 -1.4606111), wk = 0.0032154 k( 215) = ( 0.6620206 -0.6963004 -1.4003765), wk = 0.0032154 k( 216) = ( 0.6562342 -0.6678062 -1.4003765), wk = 0.0032154 k( 217) = ( 0.6504477 -0.6393120 -1.4003765), wk = 0.0032154 k( 218) = ( 0.6446613 -0.6108178 -1.4003765), wk = 0.0032154 k( 219) = ( 0.6388748 -0.5823236 -1.4003765), wk = 0.0032154 k( 220) = ( 0.6330884 -0.5538294 -1.4003765), wk = 0.0032154 k( 221) = ( 0.6273019 -0.5253352 -1.4003765), wk = 0.0032154 k( 222) = ( 0.6215155 -0.4968410 -1.4003765), wk = 0.0032154 k( 223) = ( 0.6157290 -0.4683468 -1.4003765), wk = 0.0032154 k( 224) = ( 0.6099426 -0.4398526 -1.4003765), wk = 0.0032154 k( 225) = ( 0.6041561 -0.4113584 -1.4003765), wk = 0.0032154 k( 226) = ( 0.5983697 -0.3828642 -1.4003765), wk = 0.0032154 k( 227) = ( 0.5925832 -0.3543700 -1.4003765), wk = 0.0032154 k( 228) = ( 0.5867968 -0.3258758 -1.4003765), wk = 0.0032154 k( 229) = ( 0.5810103 -0.2973816 -1.4003765), wk = 0.0032154 k( 230) = ( 0.5752239 -0.2688873 -1.4003765), wk = 0.0032154 k( 231) = ( 0.5694374 -0.2403931 -1.4003765), wk = 0.0032154 k( 232) = ( 0.5636510 -0.2118989 -1.4003765), wk = 0.0032154 k( 233) = ( 0.5578645 -0.1834047 -1.4003765), wk = 0.0032154 k( 234) = ( 0.5520781 -0.1549105 -1.4003765), wk = 0.0032154 k( 235) = ( 0.5462916 -0.1264163 -1.4003765), wk = 0.0032154 k( 236) = ( 0.5405052 -0.0979221 -1.4003765), wk = 0.0032154 k( 237) = ( 0.5347187 -0.0694279 -1.4003765), wk = 0.0032154 k( 238) = ( 0.5289323 -0.0409337 -1.4003765), wk = 0.0032154 k( 239) = ( 0.5231458 -0.0124395 -1.4003765), wk = 0.0032154 k( 240) = ( 0.5173594 0.0160547 -1.4003765), wk = 0.0032154 k( 241) = ( 0.5115729 0.0445489 -1.4003765), wk = 0.0032154 k( 242) = ( 0.5057864 0.0730431 -1.4003765), wk = 0.0032154 k( 243) = ( 0.5000000 0.1015373 -1.4003765), wk = 0.0032154 k( 244) = ( 0.5000000 0.1015373 -1.4003765), wk = 0.0032154 k( 245) = ( 0.5270034 0.1070211 -1.3903374), wk = 0.0032154 k( 246) = ( 0.5540069 0.1125048 -1.3802982), wk = 0.0032154 k( 247) = ( 0.5810103 0.1179885 -1.3702592), wk = 0.0032154 k( 248) = ( 0.6080138 0.1234722 -1.3602200), wk = 0.0032154 k( 249) = ( 0.6350172 0.1289559 -1.3501810), wk = 0.0032154 k( 250) = ( 0.6620206 0.1344396 -1.3401418), wk = 0.0032154 k( 251) = ( 0.6620206 0.1344396 -1.3401418), wk = 0.0032154 k( 252) = ( 0.6585734 0.1337396 -1.3103466), wk = 0.0032154 k( 253) = ( 0.6551262 0.1330395 -1.2805514), wk = 0.0032154 k( 254) = ( 0.6516789 0.1323395 -1.2507561), wk = 0.0032154 k( 255) = ( 0.6482317 0.1316394 -1.2209609), wk = 0.0032154 k( 256) = ( 0.6447844 0.1309394 -1.1911656), wk = 0.0032154 k( 257) = ( 0.6413372 0.1302393 -1.1613704), wk = 0.0032154 k( 258) = ( 0.6378899 0.1295393 -1.1315752), wk = 0.0032154 k( 259) = ( 0.6344427 0.1288392 -1.1017799), wk = 0.0032154 k( 260) = ( 0.6309954 0.1281392 -1.0719846), wk = 0.0032154 k( 261) = ( 0.6275482 0.1274391 -1.0421894), wk = 0.0032154 k( 262) = ( 0.6241009 0.1267391 -1.0123942), wk = 0.0032154 k( 263) = ( 0.6206537 0.1260390 -0.9825989), wk = 0.0032154 k( 264) = ( 0.6172064 0.1253390 -0.9528037), wk = 0.0032154 k( 265) = ( 0.6137592 0.1246389 -0.9230084), wk = 0.0032154 k( 266) = ( 0.6103119 0.1239389 -0.8932132), wk = 0.0032154 k( 267) = ( 0.6068647 0.1232389 -0.8634179), wk = 0.0032154 k( 268) = ( 0.6034174 0.1225388 -0.8336227), wk = 0.0032154 k( 269) = ( 0.5999702 0.1218388 -0.8038275), wk = 0.0032154 k( 270) = ( 0.5965229 0.1211387 -0.7740322), wk = 0.0032154 k( 271) = ( 0.5930757 0.1204387 -0.7442370), wk = 0.0032154 k( 272) = ( 0.5896284 0.1197386 -0.7144417), wk = 0.0032154 k( 273) = ( 0.5861812 0.1190386 -0.6846465), wk = 0.0032154 k( 274) = ( 0.5827339 0.1183385 -0.6548512), wk = 0.0032154 k( 275) = ( 0.5792867 0.1176385 -0.6250560), wk = 0.0032154 k( 276) = ( 0.5758395 0.1169384 -0.5952607), wk = 0.0032154 k( 277) = ( 0.5723922 0.1162384 -0.5654655), wk = 0.0032154 k( 278) = ( 0.5689450 0.1155383 -0.5356703), wk = 0.0032154 k( 279) = ( 0.5654977 0.1148383 -0.5058750), wk = 0.0032154 k( 280) = ( 0.5620505 0.1141382 -0.4760798), wk = 0.0032154 k( 281) = ( 0.5586032 0.1134382 -0.4462845), wk = 0.0032154 k( 282) = ( 0.5551560 0.1127381 -0.4164893), wk = 0.0032154 k( 283) = ( 0.5517087 0.1120381 -0.3866941), wk = 0.0032154 k( 284) = ( 0.5482615 0.1113380 -0.3568988), wk = 0.0032154 k( 285) = ( 0.5448142 0.1106380 -0.3271036), wk = 0.0032154 k( 286) = ( 0.5413670 0.1099379 -0.2973083), wk = 0.0032154 k( 287) = ( 0.5379197 0.1092379 -0.2675131), wk = 0.0032154 k( 288) = ( 0.5344725 0.1085378 -0.2377178), wk = 0.0032154 k( 289) = ( 0.5310252 0.1078378 -0.2079226), wk = 0.0032154 k( 290) = ( 0.5275780 0.1071377 -0.1781273), wk = 0.0032154 k( 291) = ( 0.5241307 0.1064377 -0.1483321), wk = 0.0032154 k( 292) = ( 0.5206835 0.1057376 -0.1185369), wk = 0.0032154 k( 293) = ( 0.5172362 0.1050376 -0.0887416), wk = 0.0032154 k( 294) = ( 0.5137890 0.1043375 -0.0589463), wk = 0.0032154 k( 295) = ( 0.5103417 0.1036375 -0.0291511), wk = 0.0032154 k( 296) = ( 0.5068945 0.1029374 0.0006441), wk = 0.0032154 k( 297) = ( 0.5034473 0.1022374 0.0304394), wk = 0.0032154 k( 298) = ( 0.5000000 0.1015373 0.0602346), wk = 0.0032154 k( 299) = ( 0.5000000 -1.1803055 -0.7001882), wk = 0.0032154 k( 300) = ( 0.5270034 -1.1718441 -0.6951687), wk = 0.0032154 k( 301) = ( 0.5540069 -1.1633826 -0.6901491), wk = 0.0032154 k( 302) = ( 0.5810103 -1.1549212 -0.6851296), wk = 0.0032154 k( 303) = ( 0.6080138 -1.1464598 -0.6801100), wk = 0.0032154 k( 304) = ( 0.6350172 -1.1379983 -0.6750905), wk = 0.0032154 k( 305) = ( 0.6620206 -1.1295369 -0.6700709), wk = 0.0032154 k( 306) = ( 0.6890241 -1.1210754 -0.6650514), wk = 0.0032154 k( 307) = ( 0.7160275 -1.1126140 -0.6600318), wk = 0.0032154 k( 308) = ( 0.7430310 -1.1041525 -0.6550123), wk = 0.0032154 k( 309) = ( 0.7700344 -1.0956911 -0.6499927), wk = 0.0032154 k( 310) = ( 0.7970379 -1.0872296 -0.6449732), wk = 0.0032154 k( 311) = ( 0.8240413 -1.0787682 -0.6399536), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0102041 -0.0000000 0.0000000), wk = 0.0032154 k( 3) = ( 0.0204082 -0.0000000 0.0000000), wk = 0.0032154 k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0032154 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0032154 k( 6) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0032154 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0032154 k( 8) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0032154 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0032154 k( 10) = ( 0.0918367 -0.0000000 -0.0000000), wk = 0.0032154 k( 11) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0032154 k( 12) = ( 0.1122449 0.0000000 -0.0000000), wk = 0.0032154 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0032154 k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0032154 k( 15) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0032154 k( 16) = ( 0.1530612 0.0000000 -0.0000000), wk = 0.0032154 k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0032154 k( 18) = ( 0.1734694 -0.0000000 -0.0000000), wk = 0.0032154 k( 19) = ( 0.1836735 0.0000000 -0.0000000), wk = 0.0032154 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0032154 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0032154 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0032154 k( 23) = ( 0.2244898 0.0000000 -0.0000000), wk = 0.0032154 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0032154 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0032154 k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0032154 k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0032154 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0032154 k( 29) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0032154 k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0032154 k( 31) = ( 0.3061224 -0.0000000 0.0000000), wk = 0.0032154 k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0032154 k( 33) = ( 0.3265306 -0.0000000 -0.0000000), wk = 0.0032154 k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0032154 k( 35) = ( 0.3469388 -0.0000000 -0.0000000), wk = 0.0032154 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0032154 k( 37) = ( 0.3673469 0.0000000 -0.0000000), wk = 0.0032154 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0032154 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0032154 k( 40) = ( 0.3979592 -0.0000000 -0.0000000), wk = 0.0032154 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0032154 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0032154 k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0032154 k( 44) = ( 0.4387755 -0.0000000 0.0000000), wk = 0.0032154 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0032154 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0032154 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0032154 k( 48) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0032154 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0032154 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 52) = ( 0.5000000 0.0058653 -0.0058653), wk = 0.0032154 k( 53) = ( 0.5000000 0.0117306 -0.0117306), wk = 0.0032154 k( 54) = ( 0.5000000 0.0175959 -0.0175959), wk = 0.0032154 k( 55) = ( 0.5000000 0.0234612 -0.0234612), wk = 0.0032154 k( 56) = ( 0.5000000 0.0293265 -0.0293265), wk = 0.0032154 k( 57) = ( 0.5000000 0.0351917 -0.0351917), wk = 0.0032154 k( 58) = ( 0.5000000 0.0410570 -0.0410570), wk = 0.0032154 k( 59) = ( 0.5000000 0.0469223 -0.0469223), wk = 0.0032154 k( 60) = ( 0.5000000 0.0527876 -0.0527876), wk = 0.0032154 k( 61) = ( 0.5000000 0.0586529 -0.0586529), wk = 0.0032154 k( 62) = ( 0.5000000 0.0645182 -0.0645182), wk = 0.0032154 k( 63) = ( 0.5000000 0.0703835 -0.0703835), wk = 0.0032154 k( 64) = ( 0.5000000 0.0762488 -0.0762488), wk = 0.0032154 k( 65) = ( 0.5000000 0.0821141 -0.0821141), wk = 0.0032154 k( 66) = ( 0.5000000 0.0879793 -0.0879794), wk = 0.0032154 k( 67) = ( 0.5000000 0.0938446 -0.0938446), wk = 0.0032154 k( 68) = ( 0.5000000 0.0997099 -0.0997099), wk = 0.0032154 k( 69) = ( 0.5000000 0.1055752 -0.1055752), wk = 0.0032154 k( 70) = ( 0.5000000 0.1114405 -0.1114405), wk = 0.0032154 k( 71) = ( 0.5000000 0.1173058 -0.1173058), wk = 0.0032154 k( 72) = ( 0.5000000 0.1231711 -0.1231711), wk = 0.0032154 k( 73) = ( 0.5000000 0.1290364 -0.1290364), wk = 0.0032154 k( 74) = ( 0.5000000 0.1349017 -0.1349017), wk = 0.0032154 k( 75) = ( 0.5000000 0.1407670 -0.1407669), wk = 0.0032154 k( 76) = ( 0.5000000 0.1466322 -0.1466322), wk = 0.0032154 k( 77) = ( 0.5000000 0.1524975 -0.1524975), wk = 0.0032154 k( 78) = ( 0.5000000 0.1583628 -0.1583628), wk = 0.0032154 k( 79) = ( 0.5000000 0.1642281 -0.1642281), wk = 0.0032154 k( 80) = ( 0.5000000 0.1700934 -0.1700934), wk = 0.0032154 k( 81) = ( 0.5000000 0.1759587 -0.1759587), wk = 0.0032154 k( 82) = ( 0.8240413 0.5000000 0.1759587), wk = 0.0032154 k( 83) = ( 0.8181496 0.5000000 0.1818503), wk = 0.0032154 k( 84) = ( 0.8122580 0.5000000 0.1877420), wk = 0.0032154 k( 85) = ( 0.8063663 0.5000000 0.1936337), wk = 0.0032154 k( 86) = ( 0.8004747 0.5000000 0.1995253), wk = 0.0032154 k( 87) = ( 0.7945830 0.5000000 0.2054170), wk = 0.0032154 k( 88) = ( 0.7886914 0.5000000 0.2113086), wk = 0.0032154 k( 89) = ( 0.7827997 0.5000000 0.2172003), wk = 0.0032154 k( 90) = ( 0.7769080 0.5000000 0.2230920), wk = 0.0032154 k( 91) = ( 0.7710164 0.5000000 0.2289836), wk = 0.0032154 k( 92) = ( 0.7651247 0.5000000 0.2348753), wk = 0.0032154 k( 93) = ( 0.7592330 0.5000000 0.2407669), wk = 0.0032154 k( 94) = ( 0.7533414 0.5000000 0.2466586), wk = 0.0032154 k( 95) = ( 0.7474497 0.5000000 0.2525503), wk = 0.0032154 k( 96) = ( 0.7415581 0.5000000 0.2584419), wk = 0.0032154 k( 97) = ( 0.7356664 0.5000000 0.2643336), wk = 0.0032154 k( 98) = ( 0.7297747 0.5000000 0.2702253), wk = 0.0032154 k( 99) = ( 0.7238831 0.5000000 0.2761169), wk = 0.0032154 k( 100) = ( 0.7179914 0.5000000 0.2820086), wk = 0.0032154 k( 101) = ( 0.7120998 0.5000000 0.2879002), wk = 0.0032154 k( 102) = ( 0.7062081 0.5000000 0.2937919), wk = 0.0032154 k( 103) = ( 0.7003164 0.5000000 0.2996836), wk = 0.0032154 k( 104) = ( 0.6944248 0.5000000 0.3055752), wk = 0.0032154 k( 105) = ( 0.6885331 0.5000000 0.3114669), wk = 0.0032154 k( 106) = ( 0.6826415 0.5000000 0.3173585), wk = 0.0032154 k( 107) = ( 0.6767498 0.5000000 0.3232502), wk = 0.0032154 k( 108) = ( 0.6708581 0.5000000 0.3291419), wk = 0.0032154 k( 109) = ( 0.6649665 0.5000000 0.3350335), wk = 0.0032154 k( 110) = ( 0.6590748 0.5000000 0.3409252), wk = 0.0032154 k( 111) = ( 0.6531832 0.5000000 0.3468168), wk = 0.0032154 k( 112) = ( 0.6472915 0.5000000 0.3527085), wk = 0.0032154 k( 113) = ( 0.6413998 0.5000000 0.3586002), wk = 0.0032154 k( 114) = ( 0.6355082 0.5000000 0.3644918), wk = 0.0032154 k( 115) = ( 0.6296165 0.5000000 0.3703835), wk = 0.0032154 k( 116) = ( 0.6237249 0.5000000 0.3762751), wk = 0.0032154 k( 117) = ( 0.6178332 0.5000000 0.3821668), wk = 0.0032154 k( 118) = ( 0.6119415 0.5000000 0.3880585), wk = 0.0032154 k( 119) = ( 0.6060499 0.5000000 0.3939501), wk = 0.0032154 k( 120) = ( 0.6001582 0.5000000 0.3998418), wk = 0.0032154 k( 121) = ( 0.5942666 0.5000000 0.4057334), wk = 0.0032154 k( 122) = ( 0.5883749 0.5000000 0.4116251), wk = 0.0032154 k( 123) = ( 0.5824832 0.5000000 0.4175168), wk = 0.0032154 k( 124) = ( 0.5765916 0.5000000 0.4234084), wk = 0.0032154 k( 125) = ( 0.5706999 0.5000000 0.4293001), wk = 0.0032154 k( 126) = ( 0.5648083 0.5000000 0.4351917), wk = 0.0032154 k( 127) = ( 0.5589166 0.5000000 0.4410834), wk = 0.0032154 k( 128) = ( 0.5530249 0.5000000 0.4469751), wk = 0.0032154 k( 129) = ( 0.5471333 0.5000000 0.4528667), wk = 0.0032154 k( 130) = ( 0.5412416 0.5000000 0.4587584), wk = 0.0032154 k( 131) = ( 0.5353500 0.5000000 0.4646500), wk = 0.0032154 k( 132) = ( 0.5294583 0.5000000 0.4705417), wk = 0.0032154 k( 133) = ( 0.5235666 0.5000000 0.4764334), wk = 0.0032154 k( 134) = ( 0.5176750 0.5000000 0.4823250), wk = 0.0032154 k( 135) = ( 0.5117833 0.5000000 0.4882167), wk = 0.0032154 k( 136) = ( 0.5058917 0.5000000 0.4941083), wk = 0.0032154 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 139) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0032154 k( 140) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0032154 k( 141) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0032154 k( 142) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0032154 k( 143) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0032154 k( 144) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032154 k( 145) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0032154 k( 146) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0032154 k( 147) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 k( 148) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0032154 k( 149) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0032154 k( 150) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032154 k( 151) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0032154 k( 152) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0032154 k( 153) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0032154 k( 154) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0032154 k( 155) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0059295 -0.0000000 -0.0059295), wk = 0.0032154 k( 159) = ( 0.0118589 -0.0000000 -0.0118589), wk = 0.0032154 k( 160) = ( 0.0177884 0.0000000 -0.0177884), wk = 0.0032154 k( 161) = ( 0.0237178 -0.0000000 -0.0237179), wk = 0.0032154 k( 162) = ( 0.0296473 0.0000000 -0.0296473), wk = 0.0032154 k( 163) = ( 0.0355768 -0.0000000 -0.0355768), wk = 0.0032154 k( 164) = ( 0.0415062 -0.0000000 -0.0415062), wk = 0.0032154 k( 165) = ( 0.0474357 -0.0000000 -0.0474357), wk = 0.0032154 k( 166) = ( 0.0533652 0.0000000 -0.0533652), wk = 0.0032154 k( 167) = ( 0.0592946 0.0000000 -0.0592946), wk = 0.0032154 k( 168) = ( 0.0652241 -0.0000000 -0.0652241), wk = 0.0032154 k( 169) = ( 0.0711535 -0.0000000 -0.0711536), wk = 0.0032154 k( 170) = ( 0.0770830 0.0000000 -0.0770830), wk = 0.0032154 k( 171) = ( 0.0830125 0.0000000 -0.0830125), wk = 0.0032154 k( 172) = ( 0.0889419 -0.0000000 -0.0889419), wk = 0.0032154 k( 173) = ( 0.0948714 -0.0000000 -0.0948714), wk = 0.0032154 k( 174) = ( 0.1008009 -0.0000000 -0.1008009), wk = 0.0032154 k( 175) = ( 0.1067303 0.0000000 -0.1067303), wk = 0.0032154 k( 176) = ( 0.1126598 -0.0000000 -0.1126598), wk = 0.0032154 k( 177) = ( 0.1185892 0.0000000 -0.1185892), wk = 0.0032154 k( 178) = ( 0.1245187 -0.0000000 -0.1245187), wk = 0.0032154 k( 179) = ( 0.1304482 -0.0000000 -0.1304482), wk = 0.0032154 k( 180) = ( 0.1363776 0.0000000 -0.1363776), wk = 0.0032154 k( 181) = ( 0.1423071 -0.0000000 -0.1423071), wk = 0.0032154 k( 182) = ( 0.1482366 0.0000000 -0.1482366), wk = 0.0032154 k( 183) = ( 0.1541660 0.0000000 -0.1541660), wk = 0.0032154 k( 184) = ( 0.1600955 -0.0000000 -0.1600955), wk = 0.0032154 k( 185) = ( 0.1660249 0.0000000 -0.1660249), wk = 0.0032154 k( 186) = ( 0.1719544 0.0000000 -0.1719544), wk = 0.0032154 k( 187) = ( 0.1778839 -0.0000000 -0.1778839), wk = 0.0032154 k( 188) = ( 0.1838133 -0.0000000 -0.1838133), wk = 0.0032154 k( 189) = ( 0.1897428 -0.0000000 -0.1897428), wk = 0.0032154 k( 190) = ( 0.1956722 -0.0000000 -0.1956723), wk = 0.0032154 k( 191) = ( 0.2016017 -0.0000000 -0.2016017), wk = 0.0032154 k( 192) = ( 0.2075312 0.0000000 -0.2075312), wk = 0.0032154 k( 193) = ( 0.2134606 0.0000000 -0.2134606), wk = 0.0032154 k( 194) = ( 0.2193901 -0.0000000 -0.2193901), wk = 0.0032154 k( 195) = ( 0.2253196 -0.0000000 -0.2253196), wk = 0.0032154 k( 196) = ( 0.2312490 0.0000000 -0.2312490), wk = 0.0032154 k( 197) = ( 0.2371785 -0.0000000 -0.2371785), wk = 0.0032154 k( 198) = ( 0.2431079 -0.0000000 -0.2431079), wk = 0.0032154 k( 199) = ( 0.2490374 0.0000000 -0.2490374), wk = 0.0032154 k( 200) = ( 0.2549669 -0.0000000 -0.2549669), wk = 0.0032154 k( 201) = ( 0.2608963 -0.0000000 -0.2608963), wk = 0.0032154 k( 202) = ( 0.2668258 -0.0000000 -0.2668258), wk = 0.0032154 k( 203) = ( 0.2727553 0.0000000 -0.2727553), wk = 0.0032154 k( 204) = ( 0.2786847 -0.0000000 -0.2786847), wk = 0.0032154 k( 205) = ( 0.2846142 0.0000000 -0.2846142), wk = 0.0032154 k( 206) = ( 0.2905436 0.0000000 -0.2905437), wk = 0.0032154 k( 207) = ( 0.2964731 -0.0000000 -0.2964731), wk = 0.0032154 k( 208) = ( 0.3024026 -0.0000000 -0.3024026), wk = 0.0032154 k( 209) = ( 0.3083320 0.0000000 -0.3083320), wk = 0.0032154 k( 210) = ( 0.3142615 -0.0000000 -0.3142615), wk = 0.0032154 k( 211) = ( 0.3201910 -0.0000000 -0.3201910), wk = 0.0032154 k( 212) = ( 0.3261204 -0.0000000 -0.3261204), wk = 0.0032154 k( 213) = ( 0.3320499 0.0000000 -0.3320499), wk = 0.0032154 k( 214) = ( 0.3379794 -0.0000000 -0.3379794), wk = 0.0032154 k( 215) = ( 0.6620206 0.3379794 -0.0000000), wk = 0.0032154 k( 216) = ( 0.6562342 0.3437658 -0.0000000), wk = 0.0032154 k( 217) = ( 0.6504477 0.3495523 -0.0000000), wk = 0.0032154 k( 218) = ( 0.6446613 0.3553387 -0.0000000), wk = 0.0032154 k( 219) = ( 0.6388748 0.3611251 -0.0000000), wk = 0.0032154 k( 220) = ( 0.6330884 0.3669116 -0.0000000), wk = 0.0032154 k( 221) = ( 0.6273019 0.3726981 -0.0000000), wk = 0.0032154 k( 222) = ( 0.6215155 0.3784845 -0.0000000), wk = 0.0032154 k( 223) = ( 0.6157290 0.3842710 -0.0000000), wk = 0.0032154 k( 224) = ( 0.6099426 0.3900574 -0.0000000), wk = 0.0032154 k( 225) = ( 0.6041561 0.3958439 -0.0000000), wk = 0.0032154 k( 226) = ( 0.5983697 0.4016303 -0.0000000), wk = 0.0032154 k( 227) = ( 0.5925832 0.4074168 -0.0000000), wk = 0.0032154 k( 228) = ( 0.5867968 0.4132032 -0.0000000), wk = 0.0032154 k( 229) = ( 0.5810103 0.4189897 -0.0000000), wk = 0.0032154 k( 230) = ( 0.5752239 0.4247761 -0.0000000), wk = 0.0032154 k( 231) = ( 0.5694374 0.4305626 -0.0000000), wk = 0.0032154 k( 232) = ( 0.5636510 0.4363490 -0.0000000), wk = 0.0032154 k( 233) = ( 0.5578645 0.4421355 -0.0000000), wk = 0.0032154 k( 234) = ( 0.5520781 0.4479219 -0.0000000), wk = 0.0032154 k( 235) = ( 0.5462916 0.4537084 -0.0000000), wk = 0.0032154 k( 236) = ( 0.5405052 0.4594948 -0.0000000), wk = 0.0032154 k( 237) = ( 0.5347187 0.4652813 -0.0000000), wk = 0.0032154 k( 238) = ( 0.5289323 0.4710677 0.0000000), wk = 0.0032154 k( 239) = ( 0.5231458 0.4768542 0.0000000), wk = 0.0032154 k( 240) = ( 0.5173594 0.4826406 0.0000000), wk = 0.0032154 k( 241) = ( 0.5115729 0.4884271 -0.0000000), wk = 0.0032154 k( 242) = ( 0.5057864 0.4942136 -0.0000000), wk = 0.0032154 k( 243) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032154 k( 244) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032154 k( 245) = ( 0.5270034 0.5270034 0.0293264), wk = 0.0032154 k( 246) = ( 0.5540069 0.5540069 0.0586529), wk = 0.0032154 k( 247) = ( 0.5810103 0.5810103 0.0879793), wk = 0.0032154 k( 248) = ( 0.6080138 0.6080138 0.1173058), wk = 0.0032154 k( 249) = ( 0.6350172 0.6350172 0.1466322), wk = 0.0032154 k( 250) = ( 0.6620206 0.6620206 0.1759587), wk = 0.0032154 k( 251) = ( 0.6620206 0.6620206 0.1759587), wk = 0.0032154 k( 252) = ( 0.6585734 0.6585734 0.1828532), wk = 0.0032154 k( 253) = ( 0.6551262 0.6551262 0.1897477), wk = 0.0032154 k( 254) = ( 0.6516789 0.6516789 0.1966422), wk = 0.0032154 k( 255) = ( 0.6482317 0.6482317 0.2035367), wk = 0.0032154 k( 256) = ( 0.6447844 0.6447844 0.2104312), wk = 0.0032154 k( 257) = ( 0.6413372 0.6413372 0.2173257), wk = 0.0032154 k( 258) = ( 0.6378899 0.6378899 0.2242202), wk = 0.0032154 k( 259) = ( 0.6344427 0.6344427 0.2311147), wk = 0.0032154 k( 260) = ( 0.6309954 0.6309954 0.2380092), wk = 0.0032154 k( 261) = ( 0.6275482 0.6275482 0.2449036), wk = 0.0032154 k( 262) = ( 0.6241009 0.6241009 0.2517981), wk = 0.0032154 k( 263) = ( 0.6206537 0.6206537 0.2586926), wk = 0.0032154 k( 264) = ( 0.6172064 0.6172064 0.2655871), wk = 0.0032154 k( 265) = ( 0.6137592 0.6137592 0.2724816), wk = 0.0032154 k( 266) = ( 0.6103119 0.6103119 0.2793761), wk = 0.0032154 k( 267) = ( 0.6068647 0.6068647 0.2862706), wk = 0.0032154 k( 268) = ( 0.6034174 0.6034174 0.2931651), wk = 0.0032154 k( 269) = ( 0.5999702 0.5999702 0.3000596), wk = 0.0032154 k( 270) = ( 0.5965229 0.5965229 0.3069541), wk = 0.0032154 k( 271) = ( 0.5930757 0.5930757 0.3138486), wk = 0.0032154 k( 272) = ( 0.5896284 0.5896284 0.3207431), wk = 0.0032154 k( 273) = ( 0.5861812 0.5861812 0.3276376), wk = 0.0032154 k( 274) = ( 0.5827339 0.5827339 0.3345321), wk = 0.0032154 k( 275) = ( 0.5792867 0.5792867 0.3414266), wk = 0.0032154 k( 276) = ( 0.5758395 0.5758395 0.3483211), wk = 0.0032154 k( 277) = ( 0.5723922 0.5723922 0.3552156), wk = 0.0032154 k( 278) = ( 0.5689450 0.5689450 0.3621101), wk = 0.0032154 k( 279) = ( 0.5654977 0.5654977 0.3690046), wk = 0.0032154 k( 280) = ( 0.5620505 0.5620505 0.3758991), wk = 0.0032154 k( 281) = ( 0.5586032 0.5586032 0.3827936), wk = 0.0032154 k( 282) = ( 0.5551560 0.5551560 0.3896881), wk = 0.0032154 k( 283) = ( 0.5517087 0.5517087 0.3965826), wk = 0.0032154 k( 284) = ( 0.5482615 0.5482615 0.4034771), wk = 0.0032154 k( 285) = ( 0.5448142 0.5448142 0.4103716), wk = 0.0032154 k( 286) = ( 0.5413670 0.5413670 0.4172660), wk = 0.0032154 k( 287) = ( 0.5379197 0.5379197 0.4241606), wk = 0.0032154 k( 288) = ( 0.5344725 0.5344725 0.4310550), wk = 0.0032154 k( 289) = ( 0.5310252 0.5310252 0.4379495), wk = 0.0032154 k( 290) = ( 0.5275780 0.5275780 0.4448440), wk = 0.0032154 k( 291) = ( 0.5241307 0.5241307 0.4517385), wk = 0.0032154 k( 292) = ( 0.5206835 0.5206835 0.4586330), wk = 0.0032154 k( 293) = ( 0.5172362 0.5172362 0.4655275), wk = 0.0032154 k( 294) = ( 0.5137890 0.5137890 0.4724220), wk = 0.0032154 k( 295) = ( 0.5103417 0.5103417 0.4793165), wk = 0.0032154 k( 296) = ( 0.5068945 0.5068945 0.4862110), wk = 0.0032154 k( 297) = ( 0.5034473 0.5034473 0.4931055), wk = 0.0032154 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 299) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 300) = ( 0.5270034 0.0281650 0.0281649), wk = 0.0032154 k( 301) = ( 0.5540069 0.0563299 0.0563299), wk = 0.0032154 k( 302) = ( 0.5810103 0.0844948 0.0844948), wk = 0.0032154 k( 303) = ( 0.6080138 0.1126598 0.1126598), wk = 0.0032154 k( 304) = ( 0.6350172 0.1408247 0.1408247), wk = 0.0032154 k( 305) = ( 0.6620206 0.1689897 0.1689897), wk = 0.0032154 k( 306) = ( 0.6890241 0.1971546 0.1971546), wk = 0.0032154 k( 307) = ( 0.7160275 0.2253196 0.2253196), wk = 0.0032154 k( 308) = ( 0.7430310 0.2534845 0.2534845), wk = 0.0032154 k( 309) = ( 0.7700344 0.2816495 0.2816495), wk = 0.0032154 k( 310) = ( 0.7970379 0.3098144 0.3098144), wk = 0.0032154 k( 311) = ( 0.8240413 0.3379794 0.3379794), wk = 0.0032154 Dense grid: 52775 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 31917 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 224, 44) NL pseudopotentials 0.23 Mb ( 112, 136) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.01 Mb ( 1467) G-vector shells 0.01 Mb ( 1211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 224, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./YCl.save/charge-density.dat Starting wfc are 68 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 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.7 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.6 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.7 secs Computing kpt #: 15 total cpu time spent up to now is 18.7 secs Computing kpt #: 16 total cpu time spent up to now is 19.7 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 total cpu time spent up to now is 21.8 secs Computing kpt #: 19 total cpu time spent up to now is 22.9 secs Computing kpt #: 20 total cpu time spent up to now is 24.0 secs Computing kpt #: 21 total cpu time spent up to now is 25.2 secs Computing kpt #: 22 total cpu time spent up to now is 26.3 secs Computing kpt #: 23 total cpu time spent up to now is 27.3 secs Computing kpt #: 24 total cpu time spent up to now is 28.4 secs Computing kpt #: 25 total cpu time spent up to now is 29.5 secs Computing kpt #: 26 total cpu time spent up to now is 30.6 secs Computing kpt #: 27 total cpu time spent up to now is 31.8 secs Computing kpt #: 28 total cpu time spent up to now is 32.9 secs Computing kpt #: 29 total cpu time spent up to now is 34.1 secs Computing kpt #: 30 total cpu time spent up to now is 35.2 secs Computing kpt #: 31 total cpu time spent up to now is 36.4 secs Computing kpt #: 32 total cpu time spent up to now is 37.5 secs Computing kpt #: 33 total cpu time spent up to now is 38.7 secs Computing kpt #: 34 total cpu time spent up to now is 39.9 secs Computing kpt #: 35 total cpu time spent up to now is 41.1 secs Computing kpt #: 36 total cpu time spent up to now is 42.2 secs Computing kpt #: 37 total cpu time spent up to now is 43.4 secs Computing kpt #: 38 total cpu time spent up to now is 44.6 secs Computing kpt #: 39 total cpu time spent up to now is 45.8 secs Computing kpt #: 40 total cpu time spent up to now is 47.0 secs Computing kpt #: 41 total cpu time spent up to now is 48.3 secs Computing kpt #: 42 total cpu time spent up to now is 49.5 secs Computing kpt #: 43 total cpu time spent up to now is 50.7 secs Computing kpt #: 44 total cpu time spent up to now is 52.0 secs Computing kpt #: 45 total cpu time spent up to now is 53.3 secs Computing kpt #: 46 total cpu time spent up to now is 54.5 secs Computing kpt #: 47 total cpu time spent up to now is 55.8 secs Computing kpt #: 48 total cpu time spent up to now is 57.0 secs Computing kpt #: 49 total cpu time spent up to now is 58.2 secs Computing kpt #: 50 total cpu time spent up to now is 59.5 secs Computing kpt #: 51 total cpu time spent up to now is 60.9 secs Computing kpt #: 52 total cpu time spent up to now is 62.5 secs Computing kpt #: 53 total cpu time spent up to now is 63.7 secs Computing kpt #: 54 total cpu time spent up to now is 65.0 secs Computing kpt #: 55 total cpu time spent up to now is 66.2 secs Computing kpt #: 56 total cpu time spent up to now is 67.4 secs Computing kpt #: 57 total cpu time spent up to now is 68.6 secs Computing kpt #: 58 total cpu time spent up to now is 69.9 secs Computing kpt #: 59 total cpu time spent up to now is 71.1 secs Computing kpt #: 60 total cpu time spent up to now is 72.6 secs Computing kpt #: 61 total cpu time spent up to now is 74.0 secs Computing kpt #: 62 total cpu time spent up to now is 75.4 secs Computing kpt #: 63 total cpu time spent up to now is 77.2 secs Computing kpt #: 64 total cpu time spent up to now is 78.7 secs Computing kpt #: 65 total cpu time spent up to now is 79.8 secs Computing kpt #: 66 total cpu time spent up to now is 81.0 secs Computing kpt #: 67 total cpu time spent up to now is 82.1 secs Computing kpt #: 68 total cpu time spent up to now is 83.2 secs Computing kpt #: 69 total cpu time spent up to now is 84.3 secs Computing kpt #: 70 total cpu time spent up to now is 85.5 secs Computing kpt #: 71 total cpu time spent up to now is 86.5 secs Computing kpt #: 72 total cpu time spent up to now is 87.5 secs Computing kpt #: 73 total cpu time spent up to now is 88.4 secs Computing kpt #: 74 total cpu time spent up to now is 89.4 secs Computing kpt #: 75 total cpu time spent up to now is 90.3 secs Computing kpt #: 76 total cpu time spent up to now is 91.3 secs Computing kpt #: 77 total cpu time spent up to now is 92.2 secs Computing kpt #: 78 total cpu time spent up to now is 93.2 secs Computing kpt #: 79 total cpu time spent up to now is 94.1 secs Computing kpt #: 80 total cpu time spent up to now is 95.1 secs Computing kpt #: 81 total cpu time spent up to now is 96.0 secs Computing kpt #: 82 total cpu time spent up to now is 97.0 secs Computing kpt #: 83 total cpu time spent up to now is 97.9 secs Computing kpt #: 84 total cpu time spent up to now is 98.8 secs Computing kpt #: 85 total cpu time spent up to now is 99.7 secs Computing kpt #: 86 total cpu time spent up to now is 100.7 secs Computing kpt #: 87 total cpu time spent up to now is 101.6 secs Computing kpt #: 88 total cpu time spent up to now is 102.5 secs Computing kpt #: 89 total cpu time spent up to now is 103.4 secs Computing kpt #: 90 total cpu time spent up to now is 104.3 secs Computing kpt #: 91 total cpu time spent up to now is 105.3 secs Computing kpt #: 92 total cpu time spent up to now is 106.2 secs Computing kpt #: 93 total cpu time spent up to now is 107.1 secs Computing kpt #: 94 total cpu time spent up to now is 108.0 secs Computing kpt #: 95 total cpu time spent up to now is 108.9 secs Computing kpt #: 96 total cpu time spent up to now is 109.9 secs Computing kpt #: 97 total cpu time spent up to now is 110.8 secs Computing kpt #: 98 total cpu time spent up to now is 111.7 secs Computing kpt #: 99 total cpu time spent up to now is 112.6 secs Computing kpt #: 100 total cpu time spent up to now is 113.5 secs Computing kpt #: 101 total cpu time spent up to now is 114.4 secs Computing kpt #: 102 total cpu time spent up to now is 115.3 secs Computing kpt #: 103 total cpu time spent up to now is 116.2 secs Computing kpt #: 104 total cpu time spent up to now is 117.1 secs Computing kpt #: 105 total cpu time spent up to now is 118.0 secs Computing kpt #: 106 total cpu time spent up to now is 118.8 secs Computing kpt #: 107 total cpu time spent up to now is 119.7 secs Computing kpt #: 108 total cpu time spent up to now is 120.6 secs Computing kpt #: 109 total cpu time spent up to now is 121.5 secs Computing kpt #: 110 total cpu time spent up to now is 122.4 secs Computing kpt #: 111 total cpu time spent up to now is 123.3 secs Computing kpt #: 112 total cpu time spent up to now is 124.2 secs Computing kpt #: 113 total cpu time spent up to now is 125.1 secs Computing kpt #: 114 total cpu time spent up to now is 126.0 secs Computing kpt #: 115 total cpu time spent up to now is 127.0 secs Computing kpt #: 116 total cpu time spent up to now is 127.9 secs Computing kpt #: 117 total cpu time spent up to now is 128.8 secs Computing kpt #: 118 total cpu time spent up to now is 129.8 secs Computing kpt #: 119 total cpu time spent up to now is 130.7 secs Computing kpt #: 120 total cpu time spent up to now is 131.7 secs Computing kpt #: 121 total cpu time spent up to now is 132.6 secs Computing kpt #: 122 total cpu time spent up to now is 133.6 secs Computing kpt #: 123 total cpu time spent up to now is 134.5 secs Computing kpt #: 124 total cpu time spent up to now is 135.5 secs Computing kpt #: 125 total cpu time spent up to now is 136.5 secs Computing kpt #: 126 total cpu time spent up to now is 137.4 secs Computing kpt #: 127 total cpu time spent up to now is 138.4 secs Computing kpt #: 128 total cpu time spent up to now is 139.3 secs Computing kpt #: 129 total cpu time spent up to now is 140.3 secs Computing kpt #: 130 total cpu time spent up to now is 141.4 secs Computing kpt #: 131 total cpu time spent up to now is 142.6 secs Computing kpt #: 132 total cpu time spent up to now is 143.7 secs Computing kpt #: 133 total cpu time spent up to now is 144.8 secs Computing kpt #: 134 total cpu time spent up to now is 145.9 secs Computing kpt #: 135 total cpu time spent up to now is 147.1 secs Computing kpt #: 136 total cpu time spent up to now is 148.3 secs Computing kpt #: 137 total cpu time spent up to now is 149.4 secs Computing kpt #: 138 total cpu time spent up to now is 150.5 secs Computing kpt #: 139 total cpu time spent up to now is 151.7 secs Computing kpt #: 140 total cpu time spent up to now is 152.8 secs Computing kpt #: 141 total cpu time spent up to now is 153.8 secs Computing kpt #: 142 total cpu time spent up to now is 155.0 secs Computing kpt #: 143 total cpu time spent up to now is 156.1 secs Computing kpt #: 144 total cpu time spent up to now is 157.2 secs Computing kpt #: 145 total cpu time spent up to now is 158.4 secs Computing kpt #: 146 total cpu time spent up to now is 159.5 secs Computing kpt #: 147 total cpu time spent up to now is 160.7 secs Computing kpt #: 148 total cpu time spent up to now is 161.8 secs Computing kpt #: 149 total cpu time spent up to now is 163.0 secs Computing kpt #: 150 total cpu time spent up to now is 164.1 secs Computing kpt #: 151 total cpu time spent up to now is 165.1 secs Computing kpt #: 152 total cpu time spent up to now is 166.3 secs Computing kpt #: 153 total cpu time spent up to now is 167.2 secs Computing kpt #: 154 total cpu time spent up to now is 168.4 secs Computing kpt #: 155 total cpu time spent up to now is 169.5 secs Computing kpt #: 156 total cpu time spent up to now is 170.7 secs Computing kpt #: 157 total cpu time spent up to now is 171.8 secs Computing kpt #: 158 total cpu time spent up to now is 172.9 secs Computing kpt #: 159 total cpu time spent up to now is 174.1 secs Computing kpt #: 160 total cpu time spent up to now is 175.2 secs Computing kpt #: 161 total cpu time spent up to now is 176.2 secs Computing kpt #: 162 total cpu time spent up to now is 177.2 secs Computing kpt #: 163 total cpu time spent up to now is 178.3 secs Computing kpt #: 164 total cpu time spent up to now is 179.5 secs Computing kpt #: 165 total cpu time spent up to now is 180.7 secs Computing kpt #: 166 total cpu time spent up to now is 181.6 secs Computing kpt #: 167 total cpu time spent up to now is 182.6 secs Computing kpt #: 168 total cpu time spent up to now is 183.6 secs Computing kpt #: 169 total cpu time spent up to now is 184.6 secs Computing kpt #: 170 total cpu time spent up to now is 185.6 secs Computing kpt #: 171 total cpu time spent up to now is 186.5 secs Computing kpt #: 172 total cpu time spent up to now is 187.5 secs Computing kpt #: 173 total cpu time spent up to now is 188.5 secs Computing kpt #: 174 total cpu time spent up to now is 189.5 secs Computing kpt #: 175 total cpu time spent up to now is 190.4 secs Computing kpt #: 176 total cpu time spent up to now is 191.4 secs Computing kpt #: 177 total cpu time spent up to now is 192.4 secs Computing kpt #: 178 total cpu time spent up to now is 193.4 secs Computing kpt #: 179 total cpu time spent up to now is 194.3 secs Computing kpt #: 180 total cpu time spent up to now is 195.3 secs Computing kpt #: 181 total cpu time spent up to now is 196.3 secs Computing kpt #: 182 total cpu time spent up to now is 197.3 secs Computing kpt #: 183 total cpu time spent up to now is 198.2 secs Computing kpt #: 184 total cpu time spent up to now is 199.2 secs Computing kpt #: 185 total cpu time spent up to now is 200.1 secs Computing kpt #: 186 total cpu time spent up to now is 201.0 secs Computing kpt #: 187 total cpu time spent up to now is 202.0 secs Computing kpt #: 188 total cpu time spent up to now is 202.9 secs Computing kpt #: 189 total cpu time spent up to now is 203.8 secs Computing kpt #: 190 total cpu time spent up to now is 204.7 secs Computing kpt #: 191 total cpu time spent up to now is 205.6 secs Computing kpt #: 192 total cpu time spent up to now is 206.6 secs Computing kpt #: 193 total cpu time spent up to now is 207.5 secs Computing kpt #: 194 total cpu time spent up to now is 208.4 secs Computing kpt #: 195 total cpu time spent up to now is 209.4 secs Computing kpt #: 196 total cpu time spent up to now is 210.3 secs Computing kpt #: 197 total cpu time spent up to now is 211.2 secs Computing kpt #: 198 total cpu time spent up to now is 212.2 secs Computing kpt #: 199 total cpu time spent up to now is 213.1 secs Computing kpt #: 200 total cpu time spent up to now is 214.1 secs Computing kpt #: 201 total cpu time spent up to now is 215.0 secs Computing kpt #: 202 total cpu time spent up to now is 215.9 secs Computing kpt #: 203 total cpu time spent up to now is 216.9 secs Computing kpt #: 204 total cpu time spent up to now is 217.8 secs Computing kpt #: 205 total cpu time spent up to now is 218.7 secs Computing kpt #: 206 total cpu time spent up to now is 219.7 secs Computing kpt #: 207 total cpu time spent up to now is 220.6 secs Computing kpt #: 208 total cpu time spent up to now is 221.6 secs Computing kpt #: 209 total cpu time spent up to now is 222.5 secs Computing kpt #: 210 total cpu time spent up to now is 223.4 secs Computing kpt #: 211 total cpu time spent up to now is 224.4 secs Computing kpt #: 212 total cpu time spent up to now is 225.3 secs Computing kpt #: 213 total cpu time spent up to now is 226.2 secs Computing kpt #: 214 total cpu time spent up to now is 227.2 secs Computing kpt #: 215 total cpu time spent up to now is 228.1 secs Computing kpt #: 216 total cpu time spent up to now is 229.0 secs Computing kpt #: 217 total cpu time spent up to now is 230.0 secs Computing kpt #: 218 total cpu time spent up to now is 230.9 secs Computing kpt #: 219 total cpu time spent up to now is 231.9 secs Computing kpt #: 220 total cpu time spent up to now is 232.8 secs Computing kpt #: 221 total cpu time spent up to now is 233.8 secs Computing kpt #: 222 total cpu time spent up to now is 234.7 secs Computing kpt #: 223 total cpu time spent up to now is 235.7 secs Computing kpt #: 224 total cpu time spent up to now is 236.6 secs Computing kpt #: 225 total cpu time spent up to now is 237.6 secs Computing kpt #: 226 total cpu time spent up to now is 238.7 secs Computing kpt #: 227 total cpu time spent up to now is 239.8 secs Computing kpt #: 228 total cpu time spent up to now is 240.9 secs Computing kpt #: 229 total cpu time spent up to now is 242.0 secs Computing kpt #: 230 total cpu time spent up to now is 243.1 secs Computing kpt #: 231 total cpu time spent up to now is 244.2 secs Computing kpt #: 232 total cpu time spent up to now is 245.4 secs Computing kpt #: 233 total cpu time spent up to now is 246.6 secs Computing kpt #: 234 total cpu time spent up to now is 247.7 secs Computing kpt #: 235 total cpu time spent up to now is 248.9 secs Computing kpt #: 236 total cpu time spent up to now is 250.2 secs Computing kpt #: 237 total cpu time spent up to now is 251.6 secs Computing kpt #: 238 total cpu time spent up to now is 253.2 secs Computing kpt #: 239 total cpu time spent up to now is 255.1 secs Computing kpt #: 240 total cpu time spent up to now is 257.1 secs Computing kpt #: 241 total cpu time spent up to now is 259.6 secs Computing kpt #: 242 total cpu time spent up to now is 261.7 secs Computing kpt #: 243 total cpu time spent up to now is 263.5 secs Computing kpt #: 244 total cpu time spent up to now is 264.9 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.6 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.2 secs Computing kpt #: 247 total cpu time spent up to now is 272.5 secs Computing kpt #: 248 total cpu time spent up to now is 274.3 secs Computing kpt #: 249 total cpu time spent up to now is 275.9 secs Computing kpt #: 250 total cpu time spent up to now is 277.4 secs Computing kpt #: 251 total cpu time spent up to now is 278.9 secs Computing kpt #: 252 total cpu time spent up to now is 280.4 secs Computing kpt #: 253 total cpu time spent up to now is 282.0 secs Computing kpt #: 254 total cpu time spent up to now is 283.5 secs Computing kpt #: 255 total cpu time spent up to now is 284.9 secs Computing kpt #: 256 total cpu time spent up to now is 286.4 secs Computing kpt #: 257 total cpu time spent up to now is 287.7 secs Computing kpt #: 258 total cpu time spent up to now is 288.9 secs Computing kpt #: 259 total cpu time spent up to now is 290.1 secs Computing kpt #: 260 total cpu time spent up to now is 291.2 secs Computing kpt #: 261 total cpu time spent up to now is 292.4 secs Computing kpt #: 262 total cpu time spent up to now is 293.6 secs Computing kpt #: 263 total cpu time spent up to now is 294.7 secs Computing kpt #: 264 total cpu time spent up to now is 295.9 secs Computing kpt #: 265 total cpu time spent up to now is 297.0 secs Computing kpt #: 266 total cpu time spent up to now is 298.2 secs Computing kpt #: 267 total cpu time spent up to now is 299.3 secs Computing kpt #: 268 total cpu time spent up to now is 300.4 secs Computing kpt #: 269 total cpu time spent up to now is 301.6 secs Computing kpt #: 270 total cpu time spent up to now is 302.7 secs Computing kpt #: 271 total cpu time spent up to now is 303.8 secs Computing kpt #: 272 total cpu time spent up to now is 304.9 secs Computing kpt #: 273 total cpu time spent up to now is 306.1 secs Computing kpt #: 274 total cpu time spent up to now is 307.0 secs Computing kpt #: 275 total cpu time spent up to now is 308.0 secs Computing kpt #: 276 total cpu time spent up to now is 308.9 secs Computing kpt #: 277 total cpu time spent up to now is 309.9 secs Computing kpt #: 278 total cpu time spent up to now is 310.9 secs Computing kpt #: 279 total cpu time spent up to now is 311.8 secs Computing kpt #: 280 total cpu time spent up to now is 312.8 secs Computing kpt #: 281 total cpu time spent up to now is 313.8 secs Computing kpt #: 282 total cpu time spent up to now is 314.7 secs Computing kpt #: 283 total cpu time spent up to now is 315.7 secs Computing kpt #: 284 total cpu time spent up to now is 316.7 secs Computing kpt #: 285 total cpu time spent up to now is 317.7 secs Computing kpt #: 286 total cpu time spent up to now is 318.7 secs Computing kpt #: 287 total cpu time spent up to now is 319.6 secs Computing kpt #: 288 total cpu time spent up to now is 320.6 secs Computing kpt #: 289 total cpu time spent up to now is 321.5 secs Computing kpt #: 290 total cpu time spent up to now is 322.5 secs Computing kpt #: 291 total cpu time spent up to now is 323.4 secs Computing kpt #: 292 total cpu time spent up to now is 324.4 secs Computing kpt #: 293 total cpu time spent up to now is 325.6 secs Computing kpt #: 294 total cpu time spent up to now is 326.7 secs Computing kpt #: 295 total cpu time spent up to now is 327.9 secs Computing kpt #: 296 total cpu time spent up to now is 329.0 secs Computing kpt #: 297 total cpu time spent up to now is 330.2 secs Computing kpt #: 298 total cpu time spent up to now is 331.3 secs Computing kpt #: 299 total cpu time spent up to now is 332.5 secs Computing kpt #: 300 total cpu time spent up to now is 333.7 secs Computing kpt #: 301 total cpu time spent up to now is 335.0 secs Computing kpt #: 302 total cpu time spent up to now is 336.2 secs Computing kpt #: 303 total cpu time spent up to now is 337.5 secs Computing kpt #: 304 total cpu time spent up to now is 338.7 secs Computing kpt #: 305 total cpu time spent up to now is 340.0 secs Computing kpt #: 306 total cpu time spent up to now is 341.4 secs Computing kpt #: 307 total cpu time spent up to now is 342.8 secs Computing kpt #: 308 total cpu time spent up to now is 344.3 secs Computing kpt #: 309 total cpu time spent up to now is 345.8 secs Computing kpt #: 310 total cpu time spent up to now is 347.3 secs Computing kpt #: 311 total cpu time spent up to now is 349.0 secs ethr = 2.78E-08, avg # of iterations = 25.9 total cpu time spent up to now is 349.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8052 -14.8052 -14.5962 -14.5962 -14.5898 -14.5898 -14.5332 -14.5332 -8.9845 -8.9845 -8.7863 -8.7863 1.7374 1.7374 2.7339 2.7339 3.3159 3.3159 3.3958 3.3958 3.4326 3.4326 3.5120 3.5120 5.6009 5.6009 7.7069 7.7069 9.3774 9.3774 9.4231 9.4231 9.6767 9.6767 9.9234 9.9234 k = 0.0102-0.0241-0.0143 ( 3993 PWs) bands (ev): -35.1674 -35.1674 -35.1273 -35.1273 -16.1491 -16.1491 -16.0157 -16.0157 -14.8052 -14.8052 -14.5977 -14.5977 -14.5886 -14.5886 -14.5334 -14.5334 -8.9842 -8.9842 -8.7861 -8.7861 1.7384 1.7384 2.7344 2.7344 3.3149 3.3149 3.3945 3.3945 3.4313 3.4313 3.5104 3.5104 5.6030 5.6030 7.7063 7.7063 9.3756 9.3756 9.4215 9.4215 9.6775 9.6775 9.9245 9.9245 k = 0.0204-0.0482-0.0286 ( 3996 PWs) bands (ev): -35.1673 -35.1673 -35.1273 -35.1273 -16.1493 -16.1493 -16.0161 -16.0161 -14.8052 -14.8052 -14.6007 -14.6007 -14.5863 -14.5863 -14.5342 -14.5342 -8.9833 -8.9833 -8.7856 -8.7856 1.7413 1.7413 2.7358 2.7358 3.3116 3.3116 3.3907 3.3907 3.4272 3.4272 3.5060 3.5060 5.6094 5.6094 7.7047 7.7047 9.3690 9.3690 9.4178 9.4178 9.6800 9.6800 9.9277 9.9277 k = 0.0306-0.0723-0.0429 ( 3998 PWs) bands (ev): -35.1671 -35.1671 -35.1272 -35.1272 -16.1495 -16.1495 -16.0167 -16.0167 -14.8053 -14.8053 -14.6044 -14.6044 -14.5839 -14.5839 -14.5354 -14.5354 -8.9817 -8.9817 -8.7847 -8.7847 1.7462 1.7462 2.7380 2.7380 3.3060 3.3060 3.3846 3.3846 3.4196 3.4196 3.4996 3.4996 5.6199 5.6199 7.7021 7.7021 9.3548 9.3548 9.4151 9.4151 9.6840 9.6840 9.9331 9.9331 k = 0.0408-0.0964-0.0572 ( 3996 PWs) bands (ev): -35.1668 -35.1668 -35.1271 -35.1271 -16.1498 -16.1498 -16.0175 -16.0175 -14.8053 -14.8053 -14.6083 -14.6083 -14.5817 -14.5817 -14.5371 -14.5371 -8.9796 -8.9796 -8.7834 -8.7834 1.7530 1.7530 2.7412 2.7412 3.2976 3.2976 3.3763 3.3763 3.4081 3.4081 3.4923 3.4923 5.6342 5.6342 7.6984 7.6984 9.3320 9.3320 9.4151 9.4151 9.6893 9.6893 9.9403 9.9403 k = 0.0510-0.1204-0.0714 ( 3992 PWs) bands (ev): -35.1665 -35.1665 -35.1269 -35.1269 -16.1503 -16.1503 -16.0186 -16.0186 -14.8054 -14.8054 -14.6126 -14.6126 -14.5798 -14.5798 -14.5393 -14.5393 -8.9769 -8.9769 -8.7818 -8.7818 1.7617 1.7617 2.7451 2.7451 3.2859 3.2859 3.3655 3.3655 3.3929 3.3929 3.4851 3.4851 5.6521 5.6521 7.6938 7.6938 9.3013 9.3013 9.4177 9.4177 9.6958 9.6958 9.9492 9.9492 k = 0.0612-0.1445-0.0857 ( 3996 PWs) bands (ev): -35.1661 -35.1661 -35.1268 -35.1268 -16.1508 -16.1508 -16.0200 -16.0200 -14.8055 -14.8055 -14.6171 -14.6171 -14.5782 -14.5782 -14.5418 -14.5418 -8.9736 -8.9736 -8.7799 -8.7799 1.7722 1.7722 2.7498 2.7498 3.2707 3.2707 3.3500 3.3500 3.3766 3.3766 3.4786 3.4786 5.6732 5.6732 7.6883 7.6883 9.2641 9.2641 9.4223 9.4223 9.7030 9.7030 9.9594 9.9594 k = 0.0714-0.1686-0.1000 ( 3990 PWs) bands (ev): -35.1657 -35.1657 -35.1265 -35.1265 -16.1514 -16.1514 -16.0215 -16.0215 -14.8057 -14.8057 -14.6217 -14.6217 -14.5770 -14.5770 -14.5447 -14.5447 -8.9697 -8.9697 -8.7776 -8.7776 1.7845 1.7845 2.7551 2.7551 3.2517 3.2517 3.3269 3.3269 3.3630 3.3630 3.4728 3.4728 5.6970 5.6970 7.6819 7.6819 9.2214 9.2214 9.4285 9.4285 9.7105 9.7105 9.9707 9.9707 k = 0.0816-0.1927-0.1143 ( 3990 PWs) bands (ev): -35.1652 -35.1652 -35.1263 -35.1263 -16.1521 -16.1521 -16.0233 -16.0233 -14.8058 -14.8058 -14.6266 -14.6266 -14.5762 -14.5762 -14.5478 -14.5478 -8.9653 -8.9653 -8.7750 -8.7750 1.7984 1.7984 2.7609 2.7609 3.2288 3.2288 3.2970 3.2970 3.3522 3.3522 3.4674 3.4674 5.7233 5.7233 7.6748 7.6748 9.1742 9.1742 9.4363 9.4363 9.7177 9.7177 9.9827 9.9827 k = 0.0918-0.2168-0.1286 ( 3992 PWs) bands (ev): -35.1646 -35.1646 -35.1260 -35.1260 -16.1529 -16.1529 -16.0254 -16.0254 -14.8060 -14.8060 -14.6317 -14.6317 -14.5760 -14.5760 -14.5509 -14.5509 -8.9604 -8.9604 -8.7721 -8.7721 1.8140 1.8140 2.7671 2.7671 3.2022 3.2022 3.2628 3.2628 3.3428 3.3428 3.4623 3.4623 5.7516 5.7516 7.6671 7.6671 9.1232 9.1232 9.4456 9.4456 9.7238 9.7238 9.9952 9.9952 k = 0.1020-0.2409-0.1429 ( 3996 PWs) bands (ev): -35.1640 -35.1640 -35.1257 -35.1257 -16.1538 -16.1538 -16.0276 -16.0276 -14.8063 -14.8063 -14.6369 -14.6369 -14.5766 -14.5766 -14.5539 -14.5539 -8.9549 -8.9549 -8.7689 -8.7689 1.8311 1.8311 2.7733 2.7733 3.1719 3.1719 3.2258 3.2258 3.3339 3.3339 3.4571 3.4571 5.7815 5.7815 7.6589 7.6589 9.0692 9.0692 9.4562 9.4562 9.7281 9.7281 10.0083 10.0083 k = 0.1122-0.2650-0.1572 ( 3999 PWs) bands (ev): -35.1633 -35.1633 -35.1254 -35.1254 -16.1547 -16.1547 -16.0301 -16.0301 -14.8065 -14.8065 -14.6422 -14.6422 -14.5782 -14.5782 -14.5564 -14.5564 -8.9490 -8.9490 -8.7654 -8.7654 1.8495 1.8495 2.7794 2.7794 3.1385 3.1385 3.1872 3.1872 3.3252 3.3252 3.4518 3.4518 5.8127 5.8127 7.6503 7.6503 9.0127 9.0127 9.4683 9.4683 9.7295 9.7295 10.0224 10.0224 k = 0.1224-0.2891-0.1715 ( 3997 PWs) bands (ev): -35.1625 -35.1625 -35.1250 -35.1250 -16.1558 -16.1558 -16.0328 -16.0328 -14.8069 -14.8069 -14.6477 -14.6477 -14.5810 -14.5810 -14.5583 -14.5583 -8.9426 -8.9426 -8.7617 -8.7617 1.8692 1.8692 2.7848 2.7848 3.1022 3.1022 3.1479 3.1479 3.3166 3.3166 3.4462 3.4462 5.8450 5.8450 7.6415 7.6415 8.9543 8.9543 9.4817 9.4817 9.7273 9.7273 10.0382 10.0382 k = 0.1327-0.3131-0.1858 ( 3995 PWs) bands (ev): -35.1617 -35.1617 -35.1247 -35.1247 -16.1569 -16.1569 -16.0357 -16.0357 -14.8073 -14.8073 -14.6532 -14.6532 -14.5850 -14.5850 -14.5596 -14.5596 -8.9358 -8.9358 -8.7577 -8.7577 1.8900 1.8900 2.7890 2.7890 3.0641 3.0641 3.1083 3.1083 3.3079 3.3079 3.4404 3.4404 5.8780 5.8780 7.6326 7.6326 8.8945 8.8945 9.4965 9.4965 9.7208 9.7208 10.0561 10.0561 k = 0.1429-0.3372-0.2001 ( 3994 PWs) bands (ev): -35.1608 -35.1608 -35.1243 -35.1243 -16.1581 -16.1581 -16.0387 -16.0387 -14.8077 -14.8077 -14.6588 -14.6588 -14.5898 -14.5898 -14.5604 -14.5604 -8.9285 -8.9285 -8.7535 -8.7535 1.9118 1.9118 2.7907 2.7907 3.0253 3.0253 3.0689 3.0689 3.2990 3.2990 3.4343 3.4343 5.9115 5.9115 7.6238 7.6238 8.8338 8.8338 9.5126 9.5126 9.7099 9.7099 10.0766 10.0766 k = 0.1531-0.3613-0.2143 ( 3998 PWs) bands (ev): -35.1599 -35.1599 -35.1239 -35.1239 -16.1594 -16.1594 -16.0420 -16.0420 -14.8082 -14.8082 -14.6644 -14.6644 -14.5953 -14.5953 -14.5610 -14.5610 -8.9209 -8.9209 -8.7491 -8.7491 1.9344 1.9344 2.7882 2.7882 2.9874 2.9874 3.0306 3.0306 3.2901 3.2901 3.4279 3.4279 5.9453 5.9453 7.6152 7.6152 8.7726 8.7726 9.5299 9.5299 9.6946 9.6946 10.1002 10.1002 k = 0.1633-0.3854-0.2286 ( 3993 PWs) bands (ev): -35.1589 -35.1589 -35.1234 -35.1234 -16.1608 -16.1608 -16.0455 -16.0455 -14.8088 -14.8088 -14.6700 -14.6700 -14.6012 -14.6012 -14.5615 -14.5615 -8.9130 -8.9130 -8.7445 -8.7445 1.9575 1.9575 2.7792 2.7792 2.9515 2.9515 2.9954 2.9954 3.2809 3.2809 3.4212 3.4212 5.9795 5.9795 7.6071 7.6071 8.7111 8.7111 9.5482 9.5482 9.6755 9.6755 10.1267 10.1267 k = 0.1735-0.4095-0.2429 ( 3995 PWs) bands (ev): -35.1579 -35.1579 -35.1230 -35.1230 -16.1622 -16.1622 -16.0491 -16.0491 -14.8095 -14.8095 -14.6756 -14.6756 -14.6075 -14.6075 -14.5619 -14.5619 -8.9048 -8.9048 -8.7398 -8.7398 1.9809 1.9809 2.7613 2.7613 2.9162 2.9162 2.9673 2.9673 3.2716 3.2716 3.4141 3.4141 6.0137 6.0137 7.5994 7.5994 8.6499 8.6499 9.5670 9.5670 9.6535 9.6535 10.1562 10.1562 k = 0.1837-0.4336-0.2572 ( 3985 PWs) bands (ev): -35.1569 -35.1569 -35.1226 -35.1226 -16.1637 -16.1637 -16.0529 -16.0529 -14.8103 -14.8103 -14.6812 -14.6812 -14.6140 -14.6140 -14.5624 -14.5624 -8.8962 -8.8962 -8.7349 -8.7349 2.0043 2.0043 2.7342 2.7342 2.8788 2.8788 2.9501 2.9501 3.2622 3.2622 3.4067 3.4067 6.0480 6.0480 7.5924 7.5924 8.5890 8.5890 9.5834 9.5834 9.6319 9.6319 10.1884 10.1884 k = 0.1939-0.4577-0.2715 ( 3983 PWs) bands (ev): -35.1558 -35.1558 -35.1221 -35.1221 -16.1653 -16.1653 -16.0569 -16.0569 -14.8112 -14.8112 -14.6868 -14.6868 -14.6206 -14.6206 -14.5630 -14.5630 -8.8875 -8.8875 -8.7299 -8.7299 2.0275 2.0275 2.6999 2.6999 2.8389 2.8389 2.9427 2.9427 3.2526 3.2526 3.3991 3.3991 6.0824 6.0824 7.5860 7.5860 8.5289 8.5289 9.5819 9.5819 9.6266 9.6266 10.2232 10.2232 k = 0.2041-0.4818-0.2858 ( 3984 PWs) bands (ev): -35.1547 -35.1547 -35.1216 -35.1216 -16.1669 -16.1669 -16.0610 -16.0610 -14.8123 -14.8123 -14.6923 -14.6923 -14.6273 -14.6273 -14.5636 -14.5636 -8.8785 -8.8785 -8.7248 -8.7248 2.0500 2.0500 2.6614 2.6614 2.7977 2.7977 2.9414 2.9414 3.2430 3.2430 3.3912 3.3912 6.1168 6.1168 7.5804 7.5804 8.4698 8.4698 9.5570 9.5570 9.6435 9.6435 10.2604 10.2604 k = 0.2143-0.5058-0.3001 ( 3977 PWs) bands (ev): -35.1536 -35.1536 -35.1212 -35.1212 -16.1686 -16.1686 -16.0652 -16.0652 -14.8135 -14.8135 -14.6977 -14.6977 -14.6339 -14.6339 -14.5643 -14.5643 -8.8694 -8.8694 -8.7197 -8.7197 2.0712 2.0712 2.6211 2.6211 2.7561 2.7561 2.9436 2.9436 3.2333 3.2333 3.3831 3.3831 6.1513 6.1513 7.5757 7.5757 8.4119 8.4119 9.5256 9.5256 9.6660 9.6660 10.3000 10.3000 k = 0.2245-0.5299-0.3144 ( 3977 PWs) bands (ev): -35.1524 -35.1524 -35.1207 -35.1207 -16.1702 -16.1702 -16.0696 -16.0696 -14.8148 -14.8148 -14.7031 -14.7031 -14.6403 -14.6403 -14.5651 -14.5651 -8.8601 -8.8601 -8.7145 -8.7145 2.0906 2.0906 2.5806 2.5806 2.7150 2.7150 2.9478 2.9478 3.2236 3.2236 3.3747 3.3747 6.1860 6.1860 7.5717 7.5717 8.3554 8.3554 9.4919 9.4919 9.6902 9.6902 10.3419 10.3419 k = 0.2347-0.5540-0.3287 ( 3974 PWs) bands (ev): -35.1512 -35.1512 -35.1203 -35.1203 -16.1720 -16.1720 -16.0740 -16.0740 -14.8163 -14.8163 -14.7085 -14.7085 -14.6466 -14.6466 -14.5660 -14.5660 -8.8507 -8.8507 -8.7093 -8.7093 2.1073 2.1073 2.5412 2.5412 2.6749 2.6749 2.9530 2.9530 3.2139 3.2139 3.3662 3.3662 6.2208 6.2208 7.5684 7.5684 8.3006 8.3006 9.4566 9.4566 9.7153 9.7153 10.3860 10.3860 k = 0.2449-0.5781-0.3429 ( 3974 PWs) bands (ev): -35.1500 -35.1500 -35.1198 -35.1198 -16.1737 -16.1737 -16.0786 -16.0786 -14.8180 -14.8180 -14.7139 -14.7139 -14.6526 -14.6526 -14.5670 -14.5670 -8.8413 -8.8413 -8.7042 -8.7042 2.1204 2.1204 2.5035 2.5035 2.6369 2.6369 2.9586 2.9586 3.2042 3.2042 3.3576 3.3576 6.2560 6.2560 7.5658 7.5658 8.2475 8.2475 9.4205 9.4205 9.7409 9.7409 10.4322 10.4322 k = 0.2551-0.6022-0.3572 ( 3976 PWs) bands (ev): -35.1488 -35.1488 -35.1194 -35.1194 -16.1755 -16.1755 -16.0832 -16.0832 -14.8198 -14.8198 -14.7193 -14.7193 -14.6581 -14.6581 -14.5681 -14.5681 -8.8318 -8.8318 -8.6990 -8.6990 2.1286 2.1286 2.4681 2.4681 2.6020 2.6020 2.9643 2.9643 3.1946 3.1946 3.3488 3.3488 6.2914 6.2914 7.5637 7.5637 8.1964 8.1964 9.3836 9.3836 9.7669 9.7669 10.4806 10.4806 k = 0.2653-0.6263-0.3715 ( 3976 PWs) bands (ev): -35.1476 -35.1476 -35.1189 -35.1189 -16.1772 -16.1772 -16.0879 -16.0879 -14.8218 -14.8218 -14.7248 -14.7248 -14.6632 -14.6632 -14.5693 -14.5693 -8.8224 -8.8224 -8.6940 -8.6940 2.1309 2.1309 2.4350 2.4350 2.5719 2.5719 2.9699 2.9699 3.1851 3.1851 3.3400 3.3400 6.3274 6.3274 7.5621 7.5621 8.1475 8.1475 9.3464 9.3464 9.7929 9.7929 10.5310 10.5310 k = 0.2755-0.6504-0.3858 ( 3971 PWs) bands (ev): -35.1464 -35.1464 -35.1185 -35.1185 -16.1789 -16.1789 -16.0926 -16.0926 -14.8239 -14.8239 -14.7304 -14.7304 -14.6678 -14.6678 -14.5706 -14.5706 -8.8130 -8.8130 -8.6890 -8.6890 2.1263 2.1263 2.4033 2.4033 2.5483 2.5483 2.9752 2.9752 3.1758 3.1758 3.3312 3.3312 6.3638 6.3638 7.5606 7.5606 8.1008 8.1008 9.3091 9.3091 9.8188 9.8188 10.5836 10.5836 k = 0.2857-0.6745-0.4001 ( 3969 PWs) bands (ev): -35.1452 -35.1452 -35.1181 -35.1181 -16.1806 -16.1806 -16.0974 -16.0974 -14.8261 -14.8261 -14.7361 -14.7361 -14.6717 -14.6717 -14.5720 -14.5720 -8.8036 -8.8036 -8.6841 -8.6841 2.1150 2.1150 2.3718 2.3718 2.5327 2.5327 2.9801 2.9801 3.1666 3.1666 3.3224 3.3224 6.4008 6.4008 7.5592 7.5592 8.0565 8.0565 9.2718 9.2718 9.8445 9.8445 10.6383 10.6383 k = 0.2959-0.6985-0.4144 ( 3968 PWs) bands (ev): -35.1439 -35.1439 -35.1177 -35.1177 -16.1823 -16.1823 -16.1021 -16.1021 -14.8284 -14.8284 -14.7419 -14.7419 -14.6751 -14.6751 -14.5734 -14.5734 -8.7944 -8.7944 -8.6793 -8.6793 2.0979 2.0979 2.3396 2.3396 2.5253 2.5253 2.9845 2.9845 3.1576 3.1576 3.3137 3.3137 6.4384 6.4384 7.5575 7.5575 8.0148 8.0148 9.2348 9.2348 9.8697 9.8697 10.6949 10.6949 k = 0.3061-0.7226-0.4287 ( 3963 PWs) bands (ev): -35.1427 -35.1427 -35.1174 -35.1174 -16.1839 -16.1839 -16.1069 -16.1069 -14.8307 -14.8307 -14.7479 -14.7479 -14.6779 -14.6779 -14.5749 -14.5749 -8.7853 -8.7853 -8.6747 -8.6747 2.0763 2.0763 2.3065 2.3065 2.5250 2.5250 2.9884 2.9884 3.1489 3.1489 3.3051 3.3051 6.4767 6.4767 7.5554 7.5554 7.9756 7.9756 9.1983 9.1983 9.8943 9.8943 10.7534 10.7534 k = 0.3163-0.7467-0.4430 ( 3958 PWs) bands (ev): -35.1415 -35.1415 -35.1170 -35.1170 -16.1855 -16.1855 -16.1116 -16.1116 -14.8330 -14.8330 -14.7539 -14.7539 -14.6800 -14.6800 -14.5765 -14.5765 -8.7764 -8.7764 -8.6702 -8.6702 2.0518 2.0518 2.2729 2.2729 2.5302 2.5302 2.9918 2.9918 3.1404 3.1404 3.2966 3.2966 6.5157 6.5157 7.5526 7.5526 7.9390 7.9390 9.1623 9.1623 9.9182 9.9182 10.8136 10.8136 k = 0.3265-0.7708-0.4573 ( 3962 PWs) bands (ev): -35.1404 -35.1404 -35.1167 -35.1167 -16.1870 -16.1870 -16.1163 -16.1163 -14.8354 -14.8354 -14.7600 -14.7600 -14.6817 -14.6817 -14.5782 -14.5782 -8.7677 -8.7677 -8.6660 -8.6660 2.0256 2.0256 2.2393 2.2393 2.5390 2.5390 2.9947 2.9947 3.1322 3.1322 3.2883 3.2883 6.5553 6.5553 7.5489 7.5489 7.9051 7.9051 9.1272 9.1272 9.9412 9.9412 10.8754 10.8754 k = 0.3367-0.7949-0.4716 ( 3964 PWs) bands (ev): -35.1392 -35.1392 -35.1164 -35.1164 -16.1884 -16.1884 -16.1209 -16.1209 -14.8376 -14.8376 -14.7661 -14.7661 -14.6828 -14.6828 -14.5799 -14.5799 -8.7593 -8.7593 -8.6619 -8.6619 1.9988 1.9988 2.2061 2.2061 2.5501 2.5501 2.9971 2.9971 3.1243 3.1243 3.2803 3.2803 6.5956 6.5956 7.5442 7.5442 7.8739 7.8739 9.0929 9.0929 9.9632 9.9632 10.9384 10.9384 k = 0.3469-0.8190-0.4858 ( 3966 PWs) bands (ev): -35.1381 -35.1381 -35.1162 -35.1162 -16.1897 -16.1897 -16.1254 -16.1254 -14.8398 -14.8398 -14.7721 -14.7721 -14.6836 -14.6836 -14.5816 -14.5816 -8.7511 -8.7511 -8.6581 -8.6581 1.9722 1.9722 2.1738 2.1738 2.5626 2.5626 2.9990 2.9990 3.1168 3.1168 3.2725 3.2725 6.6365 6.6365 7.5382 7.5382 7.8452 7.8452 9.0598 9.0598 9.9842 9.9842 11.0024 11.0024 k = 0.3571-0.8431-0.5001 ( 3974 PWs) bands (ev): -35.1370 -35.1370 -35.1159 -35.1159 -16.1909 -16.1909 -16.1298 -16.1298 -14.8419 -14.8419 -14.7781 -14.7781 -14.6839 -14.6839 -14.5833 -14.5833 -8.7433 -8.7433 -8.6545 -8.6545 1.9462 1.9462 2.1426 2.1426 2.5758 2.5758 3.0005 3.0005 3.1096 3.1096 3.2650 3.2650 6.6779 6.6779 7.5311 7.5311 7.8189 7.8189 9.0279 9.0279 10.0039 10.0039 11.0670 11.0670 k = 0.3673-0.8672-0.5144 ( 3975 PWs) bands (ev): -35.1359 -35.1359 -35.1157 -35.1157 -16.1920 -16.1920 -16.1341 -16.1341 -14.8438 -14.8438 -14.7839 -14.7839 -14.6839 -14.6839 -14.5851 -14.5851 -8.7357 -8.7357 -8.6512 -8.6512 1.9211 1.9211 2.1128 2.1128 2.5890 2.5890 3.0015 3.0015 3.1029 3.1029 3.2579 3.2579 6.7197 6.7197 7.5227 7.5227 7.7948 7.7948 8.9974 8.9974 10.0224 10.0224 11.1319 11.1319 k = 0.3776-0.8913-0.5287 ( 3979 PWs) bands (ev): -35.1349 -35.1349 -35.1155 -35.1155 -16.1930 -16.1930 -16.1383 -16.1383 -14.8456 -14.8456 -14.7896 -14.7896 -14.6836 -14.6836 -14.5869 -14.5869 -8.7286 -8.7286 -8.6482 -8.6482 1.8974 1.8974 2.0846 2.0846 2.6019 2.6019 3.0023 3.0023 3.0965 3.0965 3.2511 3.2511 6.7616 6.7616 7.5133 7.5133 7.7726 7.7726 8.9683 8.9683 10.0396 10.0396 11.1964 11.1964 k = 0.3878-0.9153-0.5430 ( 3978 PWs) bands (ev): -35.1340 -35.1340 -35.1154 -35.1154 -16.1938 -16.1938 -16.1423 -16.1423 -14.8471 -14.8471 -14.7950 -14.7950 -14.6831 -14.6831 -14.5886 -14.5886 -8.7218 -8.7218 -8.6454 -8.6454 1.8752 1.8752 2.0581 2.0581 2.6144 2.6144 3.0027 3.0027 3.0905 3.0905 3.2448 3.2448 6.8037 6.8037 7.5029 7.5029 7.7521 7.7521 8.9409 8.9409 10.0555 10.0555 11.2603 11.2603 k = 0.3980-0.9394-0.5573 ( 3971 PWs) bands (ev): -35.1331 -35.1331 -35.1153 -35.1153 -16.1945 -16.1945 -16.1461 -16.1461 -14.8485 -14.8485 -14.8003 -14.8003 -14.6825 -14.6825 -14.5903 -14.5903 -8.7154 -8.7154 -8.6429 -8.6429 1.8547 1.8547 2.0335 2.0335 2.6261 2.6261 3.0029 3.0029 3.0850 3.0850 3.2389 3.2389 6.8455 6.8455 7.4917 7.4917 7.7330 7.7330 8.9152 8.9152 10.0701 10.0701 11.3228 11.3228 k = 0.4082-0.9635-0.5716 ( 3975 PWs) bands (ev): -35.1322 -35.1322 -35.1152 -35.1152 -16.1951 -16.1951 -16.1496 -16.1496 -14.8496 -14.8496 -14.8052 -14.8052 -14.6817 -14.6817 -14.5920 -14.5920 -8.7096 -8.7096 -8.6406 -8.6406 1.8359 1.8359 2.0108 2.0108 2.6370 2.6370 3.0028 3.0028 3.0800 3.0800 3.2335 3.2335 6.8869 6.8869 7.4798 7.4798 7.7150 7.7150 8.8915 8.8915 10.0832 10.0832 11.3833 11.3833 k = 0.4184-0.9876-0.5859 ( 3971 PWs) bands (ev): -35.1314 -35.1314 -35.1151 -35.1151 -16.1955 -16.1955 -16.1530 -16.1530 -14.8505 -14.8505 -14.8098 -14.8098 -14.6808 -14.6808 -14.5936 -14.5936 -8.7042 -8.7042 -8.6387 -8.6387 1.8190 1.8190 1.9903 1.9903 2.6469 2.6469 3.0027 3.0027 3.0754 3.0754 3.2286 3.2286 6.9275 6.9275 7.4675 7.4675 7.6981 7.6981 8.8698 8.8698 10.0950 10.0950 11.4411 11.4411 k = 0.4286-1.0117-0.6002 ( 3976 PWs) bands (ev): -35.1307 -35.1307 -35.1150 -35.1150 -16.1959 -16.1959 -16.1560 -16.1560 -14.8512 -14.8512 -14.8141 -14.8141 -14.6799 -14.6799 -14.5951 -14.5951 -8.6993 -8.6993 -8.6370 -8.6370 1.8039 1.8039 1.9720 1.9720 2.6557 2.6557 3.0024 3.0024 3.0713 3.0713 3.2242 3.2242 6.9669 6.9669 7.4548 7.4548 7.6822 7.6822 8.8502 8.8502 10.1054 10.1054 11.4955 11.4955 k = 0.4388-1.0358-0.6145 ( 3981 PWs) bands (ev): -35.1301 -35.1301 -35.1150 -35.1150 -16.1961 -16.1961 -16.1588 -16.1588 -14.8517 -14.8517 -14.8181 -14.8181 -14.6791 -14.6791 -14.5965 -14.5965 -8.6950 -8.6950 -8.6356 -8.6356 1.7908 1.7908 1.9559 1.9559 2.6635 2.6635 3.0021 3.0021 3.0677 3.0677 3.2203 3.2203 7.0045 7.0045 7.4419 7.4419 7.6675 7.6675 8.8330 8.8330 10.1143 10.1143 11.5455 11.5455 k = 0.4490-1.0599-0.6287 ( 3988 PWs) bands (ev): -35.1295 -35.1295 -35.1150 -35.1150 -16.1962 -16.1962 -16.1613 -16.1613 -14.8519 -14.8519 -14.8216 -14.8216 -14.6782 -14.6782 -14.5977 -14.5977 -8.6912 -8.6912 -8.6345 -8.6345 1.7797 1.7797 1.9422 1.9422 2.6701 2.6701 3.0018 3.0018 3.0647 3.0647 3.2170 3.2170 7.0399 7.0399 7.4288 7.4288 7.6541 7.6541 8.8181 8.8181 10.1219 10.1219 11.5903 11.5903 k = 0.4592-1.0840-0.6430 ( 3987 PWs) bands (ev): -35.1290 -35.1290 -35.1150 -35.1150 -16.1962 -16.1962 -16.1633 -16.1633 -14.8520 -14.8520 -14.8246 -14.8246 -14.6775 -14.6775 -14.5987 -14.5987 -8.6881 -8.6881 -8.6336 -8.6336 1.7706 1.7706 1.9308 1.9308 2.6756 2.6756 3.0014 3.0014 3.0621 3.0621 3.2143 3.2143 7.0721 7.0721 7.4160 7.4160 7.6425 7.6425 8.8058 8.8058 10.1281 10.1281 11.6288 11.6288 k = 0.4694-1.1080-0.6573 ( 3991 PWs) bands (ev): -35.1287 -35.1287 -35.1150 -35.1150 -16.1962 -16.1962 -16.1650 -16.1650 -14.8519 -14.8519 -14.8271 -14.8271 -14.6769 -14.6769 -14.5996 -14.5996 -8.6857 -8.6857 -8.6329 -8.6329 1.7635 1.7635 1.9220 1.9220 2.6798 2.6798 3.0012 3.0012 3.0601 3.0601 3.2122 3.2122 7.0999 7.0999 7.4038 7.4038 7.6329 7.6329 8.7961 8.7961 10.1329 10.1329 11.6600 11.6600 k = 0.4796-1.1321-0.6716 ( 3985 PWs) bands (ev): -35.1284 -35.1284 -35.1150 -35.1150 -16.1962 -16.1962 -16.1662 -16.1662 -14.8518 -14.8518 -14.8289 -14.8289 -14.6764 -14.6764 -14.6002 -14.6002 -8.6839 -8.6839 -8.6324 -8.6324 1.7585 1.7585 1.9156 1.9156 2.6829 2.6829 3.0010 3.0010 3.0587 3.0587 3.2106 3.2106 7.1220 7.1220 7.3935 7.3935 7.6258 7.6258 8.7891 8.7891 10.1363 10.1363 11.6830 11.6830 k = 0.4898-1.1562-0.6859 ( 3988 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1670 -16.1670 -14.8516 -14.8516 -14.8301 -14.8301 -14.6761 -14.6761 -14.6005 -14.6005 -8.6828 -8.6828 -8.6321 -8.6321 1.7554 1.7554 1.9118 1.9118 2.6847 2.6847 3.0008 3.0008 3.0578 3.0578 3.2097 3.2097 7.1364 7.1364 7.3862 7.3862 7.6214 7.6214 8.7849 8.7849 10.1383 10.1383 11.6972 11.6972 k = 0.5000-1.1803-0.7002 ( 3996 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6761 -14.6761 -14.6007 -14.6007 -8.6824 -8.6824 -8.6320 -8.6320 1.7544 1.7544 1.9105 1.9105 2.6853 2.6853 3.0008 3.0008 3.0575 3.0575 3.2094 3.2094 7.1414 7.1414 7.3836 7.3836 7.6198 7.6198 8.7835 8.7835 10.1390 10.1390 11.7019 11.7019 k = 0.5000-1.1803-0.7002 ( 3996 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6761 -14.6761 -14.6007 -14.6007 -8.6824 -8.6824 -8.6320 -8.6320 1.7544 1.7544 1.9105 1.9105 2.6853 2.6853 3.0008 3.0008 3.0575 3.0575 3.2094 3.2094 7.1414 7.1414 7.3836 7.3836 7.6198 7.6198 8.7835 8.7835 10.1390 10.1390 11.7019 11.7019 k = 0.5000-1.1653-0.7255 ( 3996 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1673 -16.1673 -14.8516 -14.8516 -14.8305 -14.8305 -14.6761 -14.6761 -14.6008 -14.6008 -8.6823 -8.6823 -8.6320 -8.6320 1.7551 1.7551 1.9111 1.9111 2.6854 2.6854 2.9991 2.9991 3.0575 3.0575 3.2083 3.2083 7.1418 7.1418 7.3842 7.3842 7.6199 7.6199 8.7861 8.7861 10.1390 10.1390 11.6976 11.6976 k = 0.5000-1.1502-0.7509 ( 3990 PWs) bands (ev): -35.1281 -35.1281 -35.1150 -35.1150 -16.1962 -16.1962 -16.1673 -16.1673 -14.8515 -14.8515 -14.8305 -14.8305 -14.6764 -14.6764 -14.6013 -14.6013 -8.6821 -8.6821 -8.6317 -8.6317 1.7573 1.7573 1.9129 1.9129 2.6857 2.6857 2.9939 2.9939 3.0575 3.0575 3.2051 3.2051 7.1429 7.1429 7.3858 7.3858 7.6201 7.6201 8.7942 8.7942 10.1389 10.1389 11.6851 11.6851 k = 0.5000-1.1352-0.7762 ( 3984 PWs) bands (ev): -35.1280 -35.1280 -35.1150 -35.1150 -16.1963 -16.1963 -16.1673 -16.1673 -14.8514 -14.8514 -14.8305 -14.8305 -14.6769 -14.6769 -14.6020 -14.6020 -8.6816 -8.6816 -8.6314 -8.6314 1.7610 1.7610 1.9160 1.9160 2.6861 2.6861 2.9853 2.9853 3.0574 3.0574 3.1997 3.1997 7.1447 7.1447 7.3885 7.3885 7.6204 7.6204 8.8075 8.8075 10.1388 10.1388 11.6661 11.6661 k = 0.5000-1.1202-0.8016 ( 3980 PWs) bands (ev): -35.1279 -35.1279 -35.1150 -35.1150 -16.1964 -16.1964 -16.1673 -16.1673 -14.8514 -14.8514 -14.8305 -14.8305 -14.6775 -14.6775 -14.6030 -14.6030 -8.6809 -8.6809 -8.6309 -8.6309 1.7661 1.7661 1.9202 1.9202 2.6866 2.6866 2.9734 2.9734 3.0573 3.0573 3.1923 3.1923 7.1472 7.1472 7.3923 7.3923 7.6208 7.6208 8.8260 8.8260 10.1386 10.1386 11.6424 11.6424 k = 0.5000-1.1051-0.8269 ( 3986 PWs) bands (ev): -35.1277 -35.1277 -35.1150 -35.1150 -16.1965 -16.1965 -16.1674 -16.1674 -14.8513 -14.8513 -14.8304 -14.8304 -14.6782 -14.6782 -14.6043 -14.6043 -8.6801 -8.6801 -8.6302 -8.6302 1.7726 1.7726 1.9257 1.9257 2.6870 2.6870 2.9584 2.9584 3.0572 3.0572 3.1831 3.1831 7.1504 7.1504 7.3970 7.3970 7.6214 7.6214 8.8495 8.8495 10.1383 10.1383 11.6158 11.6158 k = 0.5000-1.0901-0.8523 ( 3980 PWs) bands (ev): -35.1276 -35.1276 -35.1150 -35.1150 -16.1966 -16.1966 -16.1674 -16.1674 -14.8512 -14.8512 -14.8304 -14.8304 -14.6791 -14.6791 -14.6058 -14.6058 -8.6791 -8.6791 -8.6294 -8.6294 1.7805 1.7805 1.9323 1.9323 2.6874 2.6874 2.9402 2.9402 3.0570 3.0570 3.1721 3.1721 7.1542 7.1542 7.4027 7.4027 7.6221 7.6221 8.8780 8.8780 10.1380 10.1380 11.5879 11.5879 k = 0.5000-1.0750-0.8776 ( 3990 PWs) bands (ev): -35.1273 -35.1273 -35.1150 -35.1150 -16.1968 -16.1968 -16.1675 -16.1675 -14.8512 -14.8512 -14.8302 -14.8302 -14.6802 -14.6802 -14.6076 -14.6076 -8.6780 -8.6780 -8.6285 -8.6285 1.7898 1.7898 1.9401 1.9401 2.6876 2.6876 2.9193 2.9193 3.0566 3.0566 3.1597 3.1597 7.1586 7.1586 7.4093 7.4093 7.6231 7.6231 8.9113 8.9113 10.1377 10.1377 11.5597 11.5597 k = 0.5000-1.0600-0.9030 ( 3976 PWs) bands (ev): -35.1271 -35.1271 -35.1150 -35.1150 -16.1970 -16.1970 -16.1676 -16.1676 -14.8512 -14.8512 -14.8301 -14.8301 -14.6813 -14.6813 -14.6096 -14.6096 -8.6766 -8.6766 -8.6275 -8.6275 1.8004 1.8004 1.9491 1.9491 2.6874 2.6874 2.8958 2.8958 3.0561 3.0561 3.1462 3.1462 7.1635 7.1635 7.4167 7.4167 7.6243 7.6243 8.9492 8.9492 10.1373 10.1373 11.5324 11.5324 k = 0.5000-1.0450-0.9283 ( 3972 PWs) bands (ev): -35.1268 -35.1268 -35.1150 -35.1150 -16.1973 -16.1973 -16.1677 -16.1677 -14.8512 -14.8512 -14.8298 -14.8298 -14.6825 -14.6825 -14.6118 -14.6118 -8.6752 -8.6752 -8.6265 -8.6265 1.8122 1.8122 1.9592 1.9592 2.6866 2.6866 2.8699 2.8699 3.0553 3.0553 3.1319 3.1319 7.1689 7.1689 7.4249 7.4249 7.6258 7.6258 8.9914 8.9914 10.1370 10.1370 11.5064 11.5064 k = 0.5000-1.0299-0.9537 ( 3966 PWs) bands (ev): -35.1265 -35.1265 -35.1151 -35.1151 -16.1975 -16.1975 -16.1678 -16.1678 -14.8514 -14.8514 -14.8295 -14.8295 -14.6838 -14.6838 -14.6141 -14.6141 -8.6735 -8.6735 -8.6253 -8.6253 1.8251 1.8251 1.9704 1.9704 2.6850 2.6850 2.8420 2.8420 3.0539 3.0539 3.1173 3.1173 7.1746 7.1746 7.4337 7.4337 7.6275 7.6275 9.0379 9.0379 10.1368 10.1368 11.4822 11.4822 k = 0.5000-1.0149-0.9790 ( 3966 PWs) bands (ev): -35.1262 -35.1262 -35.1151 -35.1151 -16.1978 -16.1978 -16.1679 -16.1679 -14.8517 -14.8517 -14.8291 -14.8291 -14.6851 -14.6851 -14.6167 -14.6167 -8.6718 -8.6718 -8.6242 -8.6242 1.8392 1.8392 1.9826 1.9826 2.6823 2.6823 2.8123 2.8123 3.0515 3.0515 3.1032 3.1032 7.1807 7.1807 7.4431 7.4431 7.6295 7.6295 9.0883 9.0883 10.1367 10.1367 11.4592 11.4592 k = 0.5000-0.9999-1.0044 ( 3966 PWs) bands (ev): -35.1258 -35.1258 -35.1151 -35.1151 -16.1981 -16.1981 -16.1681 -16.1681 -14.8520 -14.8520 -14.8287 -14.8287 -14.6865 -14.6865 -14.6193 -14.6193 -8.6699 -8.6699 -8.6230 -8.6230 1.8544 1.8544 1.9959 1.9959 2.6783 2.6783 2.7812 2.7812 3.0477 3.0477 3.0905 3.0905 7.1870 7.1870 7.4530 7.4530 7.6317 7.6317 9.1424 9.1424 10.1367 10.1367 11.4316 11.4317 k = 0.5000-0.9848-1.0297 ( 3970 PWs) bands (ev): -35.1254 -35.1254 -35.1152 -35.1152 -16.1983 -16.1983 -16.1683 -16.1683 -14.8525 -14.8525 -14.8282 -14.8282 -14.6878 -14.6878 -14.6221 -14.6221 -8.6680 -8.6680 -8.6217 -8.6217 1.8705 1.8705 2.0103 2.0103 2.6726 2.6726 2.7490 2.7490 3.0415 3.0415 3.0803 3.0803 7.1935 7.1935 7.4633 7.4633 7.6342 7.6342 9.2001 9.2001 10.1370 10.1370 11.3726 11.3726 k = 0.5000-0.9698-1.0551 ( 3972 PWs) bands (ev): -35.1250 -35.1250 -35.1152 -35.1152 -16.1986 -16.1986 -16.1686 -16.1686 -14.8531 -14.8531 -14.8276 -14.8276 -14.6890 -14.6890 -14.6249 -14.6249 -8.6659 -8.6659 -8.6205 -8.6205 1.8875 1.8875 2.0256 2.0256 2.6646 2.6646 2.7163 2.7163 3.0330 3.0330 3.0731 3.0731 7.2000 7.2000 7.4739 7.4739 7.6369 7.6369 9.2610 9.2610 10.1377 10.1377 11.2982 11.2982 k = 0.5000-0.9548-1.0804 ( 3974 PWs) bands (ev): -35.1246 -35.1246 -35.1153 -35.1153 -16.1989 -16.1989 -16.1688 -16.1688 -14.8537 -14.8537 -14.8270 -14.8270 -14.6902 -14.6902 -14.6278 -14.6278 -8.6638 -8.6638 -8.6194 -8.6194 1.9052 1.9052 2.0418 2.0418 2.6534 2.6534 2.6842 2.6842 3.0230 3.0230 3.0683 3.0683 7.2065 7.2065 7.4848 7.4848 7.6397 7.6397 9.3250 9.3250 10.1388 10.1388 11.2227 11.2227 k = 0.5000-0.9397-1.1057 ( 3978 PWs) bands (ev): -35.1242 -35.1242 -35.1154 -35.1154 -16.1992 -16.1992 -16.1691 -16.1691 -14.8544 -14.8544 -14.8264 -14.8264 -14.6913 -14.6913 -14.6307 -14.6307 -8.6616 -8.6616 -8.6182 -8.6182 1.9236 1.9236 2.0590 2.0590 2.6353 2.6353 2.6563 2.6563 3.0130 3.0130 3.0648 3.0648 7.2130 7.2130 7.4958 7.4958 7.6425 7.6425 9.3918 9.3918 10.1406 10.1406 11.1481 11.1481 k = 0.5000-0.9247-1.1311 ( 3972 PWs) bands (ev): -35.1237 -35.1237 -35.1155 -35.1155 -16.1995 -16.1995 -16.1694 -16.1694 -14.8552 -14.8552 -14.8258 -14.8258 -14.6923 -14.6923 -14.6336 -14.6336 -8.6593 -8.6593 -8.6172 -8.6172 1.9425 1.9425 2.0770 2.0770 2.6068 2.6068 2.6365 2.6365 3.0039 3.0039 3.0619 3.0619 7.2193 7.2193 7.5069 7.5069 7.6453 7.6453 9.4609 9.4609 10.1430 10.1430 11.0752 11.0752 k = 0.5000-0.9096-1.1564 ( 3974 PWs) bands (ev): -35.1232 -35.1232 -35.1156 -35.1156 -16.1998 -16.1998 -16.1697 -16.1697 -14.8560 -14.8560 -14.8252 -14.8252 -14.6931 -14.6931 -14.6364 -14.6364 -8.6571 -8.6571 -8.6162 -8.6162 1.9617 1.9617 2.0959 2.0959 2.5745 2.5745 2.6187 2.6187 2.9961 2.9961 3.0592 3.0592 7.2254 7.2254 7.5179 7.5179 7.6478 7.6478 9.5321 9.5321 10.1462 10.1462 11.0044 11.0044 k = 0.5000-0.8946-1.1818 ( 3980 PWs) bands (ev): -35.1228 -35.1228 -35.1158 -35.1158 -16.2001 -16.2001 -16.1701 -16.1701 -14.8569 -14.8569 -14.8247 -14.8247 -14.6937 -14.6937 -14.6392 -14.6392 -8.6548 -8.6548 -8.6154 -8.6154 1.9811 1.9811 2.1155 2.1155 2.5419 2.5419 2.5997 2.5997 2.9898 2.9898 3.0564 3.0564 7.2312 7.2312 7.5289 7.5289 7.6499 7.6499 9.6048 9.6048 10.1503 10.1503 10.9365 10.9365 k = 0.5000-0.8796-1.2071 ( 3982 PWs) bands (ev): -35.1223 -35.1223 -35.1159 -35.1159 -16.2003 -16.2003 -16.1704 -16.1704 -14.8577 -14.8577 -14.8242 -14.8242 -14.6942 -14.6942 -14.6419 -14.6419 -8.6526 -8.6526 -8.6147 -8.6147 2.0003 2.0003 2.1359 2.1359 2.5100 2.5100 2.5792 2.5792 2.9851 2.9851 3.0536 3.0536 7.2368 7.2368 7.5396 7.5396 7.6516 7.6516 9.6782 9.6782 10.1553 10.1553 10.8720 10.8720 k = 0.5000-0.8645-1.2325 ( 3978 PWs) bands (ev): -35.1218 -35.1218 -35.1161 -35.1161 -16.2006 -16.2006 -16.1708 -16.1708 -14.8585 -14.8585 -14.8239 -14.8239 -14.6946 -14.6946 -14.6444 -14.6444 -8.6504 -8.6504 -8.6141 -8.6141 2.0192 2.0192 2.1570 2.1570 2.4795 2.4795 2.5574 2.5574 2.9818 2.9818 3.0505 3.0505 7.2419 7.2419 7.5501 7.5501 7.6526 7.6526 9.7516 9.7516 10.1611 10.1611 10.8118 10.8118 k = 0.5000-0.8495-1.2578 ( 3976 PWs) bands (ev): -35.1213 -35.1213 -35.1163 -35.1163 -16.2008 -16.2008 -16.1712 -16.1712 -14.8593 -14.8593 -14.8235 -14.8235 -14.6947 -14.6947 -14.6467 -14.6467 -8.6483 -8.6483 -8.6136 -8.6136 2.0373 2.0373 2.1787 2.1787 2.4509 2.4509 2.5344 2.5344 2.9798 2.9798 3.0473 3.0473 7.2466 7.2466 7.5603 7.5603 7.6529 7.6529 9.8233 9.8233 10.1676 10.1676 10.7570 10.7570 k = 0.5000-0.8345-1.2832 ( 3974 PWs) bands (ev): -35.1208 -35.1208 -35.1166 -35.1166 -16.2010 -16.2010 -16.1715 -16.1715 -14.8600 -14.8600 -14.8233 -14.8233 -14.6947 -14.6947 -14.6489 -14.6489 -8.6464 -8.6464 -8.6134 -8.6134 2.0540 2.0540 2.2009 2.2009 2.4248 2.4248 2.5107 2.5107 2.9789 2.9789 3.0438 3.0438 7.2509 7.2509 7.5700 7.5700 7.6523 7.6523 9.8916 9.8916 10.1747 10.1747 10.7093 10.7093 k = 0.5000-0.8194-1.3085 ( 3968 PWs) bands (ev): -35.1204 -35.1204 -35.1168 -35.1168 -16.2011 -16.2011 -16.1718 -16.1718 -14.8606 -14.8606 -14.8231 -14.8231 -14.6947 -14.6947 -14.6508 -14.6508 -8.6445 -8.6445 -8.6132 -8.6132 2.0688 2.0688 2.2236 2.2236 2.4018 2.4018 2.4868 2.4868 2.9788 2.9788 3.0402 3.0402 7.2545 7.2545 7.5791 7.5791 7.6509 7.6509 9.9536 9.9536 10.1819 10.1819 10.6705 10.6705 k = 0.5000-0.8044-1.3339 ( 3968 PWs) bands (ev): -35.1199 -35.1199 -35.1171 -35.1171 -16.2012 -16.2012 -16.1721 -16.1721 -14.8612 -14.8612 -14.8231 -14.8231 -14.6945 -14.6945 -14.6523 -14.6523 -8.6429 -8.6429 -8.6133 -8.6133 2.0809 2.0809 2.2466 2.2466 2.3828 2.3828 2.4631 2.4631 2.9795 2.9795 3.0364 3.0364 7.2575 7.2575 7.5874 7.5874 7.6488 7.6488 10.0059 10.0059 10.1890 10.1890 10.6432 10.6432 k = 0.5000-0.7893-1.3592 ( 3964 PWs) bands (ev): -35.1194 -35.1194 -35.1174 -35.1174 -16.2013 -16.2013 -16.1724 -16.1724 -14.8616 -14.8616 -14.8230 -14.8230 -14.6943 -14.6943 -14.6536 -14.6536 -8.6415 -8.6415 -8.6134 -8.6134 2.0894 2.0894 2.2698 2.2698 2.3682 2.3682 2.4404 2.4404 2.9806 2.9806 3.0326 3.0326 7.2596 7.2596 7.5946 7.5946 7.6462 7.6462 10.0446 10.0446 10.1953 10.1953 10.6296 10.6296 k = 0.5000-0.7743-1.3846 ( 3956 PWs) bands (ev): -35.1190 -35.1190 -35.1178 -35.1178 -16.2014 -16.2014 -16.1725 -16.1725 -14.8619 -14.8619 -14.8230 -14.8230 -14.6941 -14.6941 -14.6544 -14.6544 -8.6404 -8.6404 -8.6137 -8.6137 2.0936 2.0936 2.2928 2.2928 2.3578 2.3578 2.4203 2.4203 2.9820 2.9820 3.0288 3.0288 7.2607 7.2607 7.6002 7.6002 7.6436 7.6436 10.0671 10.0671 10.2005 10.2005 10.6299 10.6299 k = 0.5000-0.7593-1.4099 ( 3966 PWs) bands (ev): -35.1185 -35.1185 -35.1182 -35.1182 -16.2014 -16.2014 -16.1726 -16.1726 -14.8620 -14.8620 -14.8230 -14.8230 -14.6940 -14.6940 -14.6549 -14.6549 -8.6396 -8.6396 -8.6140 -8.6140 2.0935 2.0935 2.3150 2.3150 2.3494 2.3494 2.4059 2.4059 2.9835 2.9835 3.0253 3.0253 7.2605 7.2605 7.6034 7.6034 7.6421 7.6421 10.0735 10.0735 10.2039 10.2039 10.6407 10.6407 k = 0.5000-0.7442-1.4353 ( 3958 PWs) bands (ev): -35.1186 -35.1186 -35.1181 -35.1181 -16.2014 -16.2014 -16.1726 -16.1726 -14.8620 -14.8620 -14.8230 -14.8230 -14.6940 -14.6940 -14.6548 -14.6548 -8.6393 -8.6393 -8.6143 -8.6143 2.0894 2.0894 2.3310 2.3310 2.3434 2.3434 2.4019 2.4019 2.9847 2.9847 3.0223 3.0223 7.2588 7.2588 7.6038 7.6038 7.6423 7.6423 10.0669 10.0669 10.2051 10.2051 10.6552 10.6552 k = 0.5000-0.7292-1.4606 ( 3960 PWs) bands (ev): -35.1191 -35.1191 -35.1177 -35.1177 -16.2014 -16.2014 -16.1725 -16.1725 -14.8618 -14.8618 -14.8230 -14.8230 -14.6942 -14.6942 -14.6543 -14.6543 -8.6395 -8.6395 -8.6147 -8.6147 2.0822 2.0822 2.3195 2.3195 2.3590 2.3590 2.4096 2.4096 2.9853 2.9853 3.0202 3.0202 7.2551 7.2551 7.6016 7.6016 7.6442 7.6442 10.0513 10.0513 10.2035 10.2035 10.6658 10.6658 k = 0.8240-0.6634-1.3401 ( 3960 PWs) bands (ev): -35.1191 -35.1191 -35.1177 -35.1177 -16.2014 -16.2014 -16.1725 -16.1725 -14.8618 -14.8618 -14.8230 -14.8230 -14.6942 -14.6942 -14.6543 -14.6543 -8.6395 -8.6395 -8.6147 -8.6147 2.0822 2.0822 2.3195 2.3195 2.3590 2.3590 2.4096 2.4096 2.9853 2.9853 3.0202 3.0202 7.2551 7.2551 7.6016 7.6016 7.6442 7.6442 10.0513 10.0513 10.2035 10.2035 10.6658 10.6658 k = 0.8181-0.6495-1.3147 ( 3954 PWs) bands (ev): -35.1196 -35.1196 -35.1173 -35.1173 -16.2013 -16.2013 -16.1722 -16.1722 -14.8615 -14.8615 -14.8229 -14.8229 -14.6945 -14.6945 -14.6533 -14.6533 -8.6403 -8.6403 -8.6150 -8.6150 2.0730 2.0730 2.3016 2.3016 2.3774 2.3774 2.4260 2.4260 2.9850 2.9850 3.0192 3.0192 7.2491 7.2491 7.5979 7.5979 7.6473 7.6473 10.0304 10.0304 10.1987 10.1987 10.6675 10.6675 k = 0.8123-0.6356-1.2892 ( 3956 PWs) bands (ev): -35.1201 -35.1201 -35.1170 -35.1170 -16.2012 -16.2012 -16.1718 -16.1718 -14.8610 -14.8610 -14.8227 -14.8227 -14.6949 -14.6949 -14.6519 -14.6519 -8.6417 -8.6417 -8.6152 -8.6152 2.0628 2.0628 2.2830 2.2830 2.3957 2.3957 2.4472 2.4472 2.9836 2.9836 3.0197 3.0197 7.2404 7.2404 7.5941 7.5941 7.6506 7.6506 10.0069 10.0069 10.1906 10.1906 10.6585 10.6585 k = 0.8064-0.6217-1.2638 ( 3960 PWs) bands (ev): -35.1207 -35.1207 -35.1166 -35.1166 -16.2011 -16.2011 -16.1712 -16.1712 -14.8603 -14.8603 -14.8223 -14.8223 -14.6955 -14.6955 -14.6500 -14.6500 -8.6436 -8.6436 -8.6154 -8.6154 2.0525 2.0525 2.2648 2.2648 2.4140 2.4140 2.4711 2.4711 2.9813 2.9813 3.0213 3.0213 7.2285 7.2285 7.5910 7.5910 7.6539 7.6539 9.9826 9.9826 10.1793 10.1793 10.6399 10.6399 k = 0.8005-0.6078-1.2383 ( 3960 PWs) bands (ev): -35.1213 -35.1213 -35.1163 -35.1163 -16.2010 -16.2010 -16.1704 -16.1704 -14.8594 -14.8594 -14.8218 -14.8218 -14.6962 -14.6962 -14.6478 -14.6478 -8.6462 -8.6462 -8.6156 -8.6156 2.0428 2.0428 2.2476 2.2476 2.4324 2.4324 2.4964 2.4964 2.9785 2.9785 3.0240 3.0240 7.2131 7.2131 7.5894 7.5894 7.6567 7.6567 9.9588 9.9588 10.1648 10.1648 10.6140 10.6140 k = 0.7946-0.5939-1.2128 ( 3962 PWs) bands (ev): -35.1220 -35.1220 -35.1160 -35.1160 -16.2008 -16.2008 -16.1694 -16.1694 -14.8584 -14.8584 -14.8212 -14.8212 -14.6969 -14.6969 -14.6453 -14.6453 -8.6493 -8.6493 -8.6159 -8.6159 2.0339 2.0339 2.2317 2.2317 2.4508 2.4508 2.5225 2.5225 2.9755 2.9755 3.0273 3.0273 7.1942 7.1942 7.5896 7.5896 7.6590 7.6590 9.9362 9.9362 10.1475 10.1475 10.5830 10.5830 k = 0.7887-0.5800-1.1874 ( 3964 PWs) bands (ev): -35.1227 -35.1227 -35.1158 -35.1158 -16.2006 -16.2006 -16.1681 -16.1681 -14.8573 -14.8573 -14.8202 -14.8202 -14.6976 -14.6976 -14.6426 -14.6426 -8.6529 -8.6529 -8.6163 -8.6163 2.0263 2.0263 2.2173 2.2173 2.4690 2.4690 2.5491 2.5491 2.9727 2.9727 3.0312 3.0312 7.1717 7.1717 7.5921 7.5921 7.6608 7.6608 9.9152 9.9152 10.1279 10.1279 10.5484 10.5484 k = 0.7828-0.5660-1.1619 ( 3966 PWs) bands (ev): -35.1234 -35.1234 -35.1156 -35.1156 -16.2003 -16.2003 -16.1667 -16.1667 -14.8560 -14.8560 -14.8191 -14.8191 -14.6984 -14.6984 -14.6397 -14.6397 -8.6570 -8.6570 -8.6168 -8.6168 2.0201 2.0201 2.2046 2.2046 2.4865 2.4865 2.5759 2.5759 2.9702 2.9702 3.0354 3.0354 7.1457 7.1457 7.5968 7.5968 7.6620 7.6620 9.8961 9.8961 10.1066 10.1066 10.5118 10.5118 k = 0.7769-0.5521-1.1365 ( 3968 PWs) bands (ev): -35.1242 -35.1242 -35.1154 -35.1154 -16.2001 -16.2001 -16.1650 -16.1650 -14.8546 -14.8546 -14.8176 -14.8176 -14.6991 -14.6991 -14.6365 -14.6365 -8.6615 -8.6615 -8.6174 -8.6174 2.0156 2.0156 2.1936 2.1936 2.5033 2.5033 2.6028 2.6028 2.9684 2.9684 3.0398 3.0398 7.1165 7.1165 7.6037 7.6037 7.6628 7.6628 9.8789 9.8789 10.0839 10.0839 10.4738 10.4738 k = 0.7710-0.5382-1.1110 ( 3962 PWs) bands (ev): -35.1250 -35.1250 -35.1152 -35.1152 -16.1997 -16.1997 -16.1631 -16.1631 -14.8532 -14.8532 -14.8158 -14.8158 -14.6997 -14.6997 -14.6333 -14.6333 -8.6665 -8.6665 -8.6183 -8.6183 2.0127 2.0127 2.1844 2.1844 2.5190 2.5190 2.6297 2.6297 2.9675 2.9675 3.0445 3.0445 7.0843 7.0843 7.6126 7.6126 7.6633 7.6633 9.8637 9.8637 10.0605 10.0605 10.4351 10.4351 k = 0.7651-0.5243-1.0855 ( 3968 PWs) bands (ev): -35.1259 -35.1259 -35.1151 -35.1151 -16.1993 -16.1993 -16.1609 -16.1609 -14.8516 -14.8516 -14.8137 -14.8137 -14.7003 -14.7003 -14.6300 -14.6300 -8.6719 -8.6719 -8.6194 -8.6194 2.0116 2.0116 2.1772 2.1772 2.5336 2.5336 2.6565 2.6565 2.9675 2.9675 3.0493 3.0493 7.0497 7.0497 7.6233 7.6233 7.6639 7.6639 9.8504 9.8504 10.0368 10.0368 10.3963 10.3963 k = 0.7592-0.5104-1.0601 ( 3978 PWs) bands (ev): -35.1268 -35.1268 -35.1150 -35.1150 -16.1989 -16.1989 -16.1585 -16.1585 -14.8500 -14.8500 -14.8113 -14.8113 -14.7007 -14.7007 -14.6266 -14.6266 -8.6776 -8.6776 -8.6208 -8.6208 2.0123 2.0123 2.1720 2.1720 2.5467 2.5467 2.6829 2.6829 2.9687 2.9687 3.0543 3.0543 7.0129 7.0129 7.6347 7.6347 7.6654 7.6654 9.8387 9.8387 10.0131 10.0131 10.3574 10.3574 k = 0.7533-0.4965-1.0346 ( 3970 PWs) bands (ev): -35.1277 -35.1277 -35.1150 -35.1150 -16.1983 -16.1983 -16.1559 -16.1559 -14.8483 -14.8483 -14.8085 -14.8085 -14.7010 -14.7010 -14.6232 -14.6232 -8.6837 -8.6837 -8.6224 -8.6224 2.0147 2.0147 2.1688 2.1688 2.5584 2.5584 2.7090 2.7090 2.9712 2.9712 3.0594 3.0594 6.9743 6.9743 7.6443 7.6443 7.6703 7.6703 9.8286 9.8286 9.9899 9.9899 10.3189 10.3189 k = 0.7474-0.4826-1.0091 ( 3970 PWs) bands (ev): -35.1287 -35.1287 -35.1149 -35.1149 -16.1977 -16.1977 -16.1531 -16.1531 -14.8466 -14.8466 -14.8054 -14.8054 -14.7012 -14.7012 -14.6198 -14.6198 -8.6902 -8.6902 -8.6243 -8.6243 2.0188 2.0188 2.1677 2.1677 2.5686 2.5686 2.7344 2.7344 2.9751 2.9751 3.0648 3.0648 6.9343 6.9343 7.6491 7.6491 7.6817 7.6817 9.8198 9.8198 9.9673 9.9673 10.2807 10.2807 k = 0.7416-0.4687-0.9837 ( 3968 PWs) bands (ev): -35.1297 -35.1297 -35.1149 -35.1149 -16.1970 -16.1970 -16.1500 -16.1500 -14.8449 -14.8449 -14.8019 -14.8019 -14.7012 -14.7012 -14.6163 -14.6163 -8.6969 -8.6969 -8.6265 -8.6265 2.0246 2.0246 2.1687 2.1687 2.5772 2.5772 2.7591 2.7591 2.9804 2.9804 3.0703 3.0703 6.8932 6.8932 7.6503 7.6503 7.6986 7.6986 9.8120 9.8120 9.9457 9.9457 10.2429 10.2429 k = 0.7357-0.4548-0.9582 ( 3962 PWs) bands (ev): -35.1307 -35.1307 -35.1150 -35.1150 -16.1963 -16.1963 -16.1468 -16.1468 -14.8431 -14.8431 -14.7982 -14.7982 -14.7010 -14.7010 -14.6129 -14.6129 -8.7040 -8.7040 -8.6290 -8.6290 2.0318 2.0318 2.1718 2.1718 2.5843 2.5843 2.7829 2.7829 2.9872 2.9872 3.0762 3.0762 6.8514 6.8514 7.6499 7.6499 7.7186 7.7186 9.8052 9.8052 9.9252 9.9252 10.2056 10.2056 k = 0.7298-0.4409-0.9328 ( 3964 PWs) bands (ev): -35.1318 -35.1318 -35.1151 -35.1151 -16.1954 -16.1954 -16.1433 -16.1433 -14.8412 -14.8412 -14.7941 -14.7941 -14.7005 -14.7005 -14.6096 -14.6096 -8.7114 -8.7114 -8.6318 -8.6318 2.0405 2.0405 2.1770 2.1770 2.5901 2.5901 2.8056 2.8056 2.9953 2.9953 3.0825 3.0825 6.8091 6.8091 7.6491 7.6491 7.7409 7.7409 9.7990 9.7990 9.9060 9.9060 10.1687 10.1687 k = 0.7239-0.4270-0.9073 ( 3968 PWs) bands (ev): -35.1329 -35.1329 -35.1152 -35.1152 -16.1944 -16.1944 -16.1397 -16.1397 -14.8394 -14.8394 -14.7897 -14.7897 -14.6998 -14.6998 -14.6063 -14.6063 -8.7190 -8.7190 -8.6349 -8.6349 2.0503 2.0503 2.1844 2.1844 2.5948 2.5948 2.8268 2.8268 3.0047 3.0047 3.0894 3.0894 6.7666 6.7666 7.6482 7.6482 7.7651 7.7651 9.7934 9.7934 9.8881 9.8881 10.1323 10.1323 k = 0.7180-0.4131-0.8818 ( 3972 PWs) bands (ev): -35.1340 -35.1340 -35.1154 -35.1154 -16.1934 -16.1934 -16.1359 -16.1359 -14.8375 -14.8375 -14.7851 -14.7851 -14.6989 -14.6989 -14.6031 -14.6031 -8.7268 -8.7268 -8.6382 -8.6382 2.0611 2.0611 2.1939 2.1939 2.5987 2.5987 2.8464 2.8464 3.0153 3.0153 3.0970 3.0970 6.7242 6.7242 7.6473 7.6473 7.7911 7.7911 9.7881 9.7881 9.8717 9.8717 10.0962 10.0962 k = 0.7121-0.3991-0.8564 ( 3982 PWs) bands (ev): -35.1352 -35.1352 -35.1156 -35.1156 -16.1922 -16.1922 -16.1320 -16.1320 -14.8356 -14.8356 -14.7803 -14.7803 -14.6976 -14.6976 -14.5999 -14.5999 -8.7349 -8.7349 -8.6419 -8.6419 2.0726 2.0726 2.2054 2.2054 2.6021 2.6021 2.8639 2.8639 3.0270 3.0270 3.1055 3.1055 6.6822 6.6822 7.6466 7.6466 7.8188 7.8188 9.7831 9.7831 9.8568 9.8568 10.0604 10.0604 k = 0.7062-0.3852-0.8309 ( 3988 PWs) bands (ev): -35.1364 -35.1364 -35.1158 -35.1158 -16.1910 -16.1910 -16.1279 -16.1279 -14.8337 -14.8337 -14.7754 -14.7754 -14.6960 -14.6960 -14.5969 -14.5969 -8.7431 -8.7431 -8.6459 -8.6459 2.0846 2.0846 2.2190 2.2190 2.6055 2.6055 2.8793 2.8793 3.0395 3.0395 3.1150 3.1150 6.6407 6.6407 7.6461 7.6461 7.8482 7.8482 9.7784 9.7784 9.8434 9.8434 10.0249 10.0249 k = 0.7003-0.3713-0.8055 ( 3990 PWs) bands (ev): -35.1376 -35.1376 -35.1160 -35.1160 -16.1897 -16.1897 -16.1237 -16.1237 -14.8318 -14.8318 -14.7702 -14.7702 -14.6941 -14.6941 -14.5939 -14.5939 -8.7515 -8.7515 -8.6501 -8.6501 2.0966 2.0966 2.2346 2.2346 2.6092 2.6092 2.8921 2.8921 3.0529 3.0529 3.1258 3.1258 6.6000 6.6000 7.6458 7.6458 7.8793 7.8793 9.7739 9.7739 9.8314 9.8314 9.9896 9.9896 k = 0.6944-0.3574-0.7800 ( 3988 PWs) bands (ev): -35.1388 -35.1388 -35.1163 -35.1163 -16.1883 -16.1883 -16.1193 -16.1193 -14.8299 -14.8299 -14.7650 -14.7650 -14.6917 -14.6917 -14.5910 -14.5910 -8.7601 -8.7601 -8.6546 -8.6546 2.1082 2.1082 2.2521 2.2521 2.6138 2.6138 2.9024 2.9024 3.0670 3.0670 3.1377 3.1377 6.5603 6.5603 7.6458 7.6458 7.9121 7.9121 9.7697 9.7697 9.8209 9.8209 9.9546 9.9546 k = 0.6885-0.3435-0.7545 ( 3984 PWs) bands (ev): -35.1400 -35.1400 -35.1166 -35.1166 -16.1868 -16.1868 -16.1149 -16.1149 -14.8280 -14.8280 -14.7596 -14.7596 -14.6889 -14.6889 -14.5883 -14.5883 -8.7687 -8.7687 -8.6594 -8.6594 2.1192 2.1192 2.2714 2.2714 2.6197 2.6197 2.9100 2.9100 3.0817 3.0817 3.1508 3.1508 6.5218 6.5218 7.6459 7.6459 7.9465 7.9465 9.7659 9.7659 9.8117 9.8117 9.9200 9.9200 k = 0.6826-0.3296-0.7291 ( 3980 PWs) bands (ev): -35.1412 -35.1412 -35.1169 -35.1169 -16.1853 -16.1853 -16.1104 -16.1104 -14.8262 -14.8262 -14.7542 -14.7542 -14.6857 -14.6857 -14.5857 -14.5857 -8.7775 -8.7775 -8.6644 -8.6644 2.1289 2.1289 2.2923 2.2923 2.6275 2.6275 2.9153 2.9153 3.0968 3.0968 3.1649 3.1649 6.4845 6.4845 7.6462 7.6462 7.9826 7.9826 9.7625 9.7625 9.8038 9.8038 9.8858 9.8858 k = 0.6767-0.3157-0.7036 ( 3980 PWs) bands (ev): -35.1425 -35.1425 -35.1173 -35.1173 -16.1837 -16.1837 -16.1059 -16.1059 -14.8244 -14.8244 -14.7488 -14.7488 -14.6821 -14.6821 -14.5832 -14.5832 -8.7863 -8.7863 -8.6696 -8.6696 2.1370 2.1370 2.3147 2.3147 2.6375 2.6375 2.9183 2.9183 3.1122 3.1122 3.1799 3.1799 6.4487 6.4487 7.6465 7.6465 8.0204 8.0204 9.7594 9.7594 9.7967 9.7967 9.8527 9.8527 k = 0.6709-0.3018-0.6781 ( 3982 PWs) bands (ev): -35.1437 -35.1437 -35.1177 -35.1177 -16.1821 -16.1821 -16.1013 -16.1013 -14.8226 -14.8226 -14.7434 -14.7434 -14.6780 -14.6780 -14.5809 -14.5809 -8.7952 -8.7952 -8.6751 -8.6751 2.1431 2.1431 2.3385 2.3385 2.6502 2.6502 2.9195 2.9195 3.1277 3.1277 3.1954 3.1954 6.4143 6.4143 7.6468 7.6468 8.0599 8.0599 9.7563 9.7563 9.7892 9.7892 9.8223 9.8223 k = 0.6650-0.2879-0.6527 ( 3988 PWs) bands (ev): -35.1450 -35.1450 -35.1181 -35.1181 -16.1804 -16.1804 -16.0967 -16.0967 -14.8209 -14.8209 -14.7380 -14.7380 -14.6734 -14.6734 -14.5786 -14.5786 -8.8041 -8.8041 -8.6808 -8.6808 2.1471 2.1471 2.3633 2.3633 2.6659 2.6659 2.9191 2.9191 3.1433 3.1433 3.2113 3.2113 6.3816 6.3816 7.6469 7.6469 8.1010 8.1010 9.7518 9.7518 9.7756 9.7756 9.8020 9.8020 k = 0.6591-0.2740-0.6272 ( 3986 PWs) bands (ev): -35.1463 -35.1463 -35.1185 -35.1185 -16.1787 -16.1787 -16.0921 -16.0921 -14.8193 -14.8193 -14.7325 -14.7325 -14.6685 -14.6685 -14.5766 -14.5766 -8.8130 -8.8130 -8.6866 -8.6866 2.1486 2.1486 2.3889 2.3889 2.6846 2.6846 2.9178 2.9178 3.1589 3.1589 3.2274 3.2274 6.3505 6.3505 7.6467 7.6467 8.1438 8.1438 9.7372 9.7372 9.7609 9.7609 9.7956 9.7956 k = 0.6532-0.2601-0.6018 ( 3994 PWs) bands (ev): -35.1475 -35.1475 -35.1189 -35.1189 -16.1770 -16.1770 -16.0875 -16.0875 -14.8178 -14.8178 -14.7271 -14.7271 -14.6631 -14.6631 -14.5746 -14.5746 -8.8218 -8.8218 -8.6926 -8.6926 2.1478 2.1478 2.4149 2.4149 2.7064 2.7064 2.9159 2.9159 3.1743 3.1743 3.2435 3.2435 6.3211 6.3211 7.6461 7.6461 8.1883 8.1883 9.7100 9.7100 9.7559 9.7559 9.7948 9.7948 k = 0.6473-0.2462-0.5763 ( 3994 PWs) bands (ev): -35.1487 -35.1487 -35.1193 -35.1193 -16.1752 -16.1752 -16.0829 -16.0829 -14.8164 -14.8164 -14.7216 -14.7216 -14.6574 -14.6574 -14.5729 -14.5729 -8.8306 -8.8306 -8.6987 -8.6987 2.1446 2.1446 2.4408 2.4408 2.7311 2.7311 2.9141 2.9141 3.1894 3.1894 3.2593 3.2593 6.2934 6.2934 7.6450 7.6450 8.2343 8.2343 9.6805 9.6805 9.7533 9.7533 9.7969 9.7969 k = 0.6414-0.2323-0.5508 ( 3998 PWs) bands (ev): -35.1500 -35.1500 -35.1198 -35.1198 -16.1735 -16.1735 -16.0784 -16.0784 -14.8151 -14.8151 -14.7161 -14.7161 -14.6515 -14.6515 -14.5712 -14.5712 -8.8393 -8.8393 -8.7049 -8.7049 2.1393 2.1393 2.4660 2.4660 2.7586 2.7586 2.9130 2.9130 3.2043 3.2043 3.2748 3.2748 6.2674 6.2674 7.6431 7.6431 8.2820 8.2820 9.6514 9.6514 9.7509 9.7509 9.8013 9.8013 k = 0.6355-0.2183-0.5254 ( 3992 PWs) bands (ev): -35.1512 -35.1512 -35.1203 -35.1203 -16.1717 -16.1717 -16.0739 -16.0739 -14.8138 -14.8138 -14.7106 -14.7106 -14.6453 -14.6453 -14.5697 -14.5697 -8.8479 -8.8479 -8.7112 -8.7112 2.1321 2.1321 2.4898 2.4898 2.7884 2.7884 2.9134 2.9134 3.2189 3.2189 3.2898 3.2898 6.2429 6.2429 7.6404 7.6404 8.3311 8.3311 9.6234 9.6234 9.7483 9.7483 9.8077 9.8077 k = 0.6296-0.2044-0.4999 ( 3994 PWs) bands (ev): -35.1524 -35.1524 -35.1207 -35.1207 -16.1700 -16.1700 -16.0695 -16.0695 -14.8127 -14.8127 -14.7050 -14.7050 -14.6389 -14.6389 -14.5684 -14.5684 -8.8563 -8.8563 -8.7176 -8.7176 2.1232 2.1232 2.5115 2.5115 2.8203 2.8203 2.9163 2.9163 3.2330 3.2330 3.3044 3.3044 6.2200 6.2200 7.6368 7.6368 8.3818 8.3818 9.5967 9.5967 9.7455 9.7455 9.8158 9.8158 k = 0.6237-0.1905-0.4745 ( 3996 PWs) bands (ev): -35.1536 -35.1536 -35.1212 -35.1212 -16.1683 -16.1683 -16.0652 -16.0652 -14.8117 -14.8117 -14.6994 -14.6994 -14.6323 -14.6323 -14.5672 -14.5672 -8.8646 -8.8646 -8.7239 -8.7239 2.1130 2.1130 2.5300 2.5300 2.8536 2.8536 2.9227 2.9227 3.2467 3.2467 3.3183 3.3183 6.1986 6.1986 7.6320 7.6320 8.4338 8.4338 9.5718 9.5718 9.7421 9.7421 9.8253 9.8253 k = 0.6178-0.1766-0.4490 ( 3992 PWs) bands (ev): -35.1547 -35.1547 -35.1216 -35.1216 -16.1667 -16.1667 -16.0611 -16.0611 -14.8107 -14.8107 -14.6938 -14.6938 -14.6258 -14.6258 -14.5661 -14.5661 -8.8726 -8.8726 -8.7303 -8.7303 2.1016 2.1016 2.5447 2.5447 2.8876 2.8876 2.9338 2.9338 3.2600 3.2600 3.3315 3.3315 6.1786 6.1786 7.6261 7.6261 8.4870 8.4870 9.5486 9.5486 9.7383 9.7383 9.8359 9.8359 k = 0.6119-0.1627-0.4235 ( 3992 PWs) bands (ev): -35.1558 -35.1558 -35.1221 -35.1221 -16.1651 -16.1651 -16.0570 -16.0570 -14.8099 -14.8099 -14.6881 -14.6881 -14.6192 -14.6192 -14.5652 -14.5652 -8.8805 -8.8805 -8.7366 -8.7366 2.0894 2.0894 2.5551 2.5551 2.9206 2.9206 2.9514 2.9514 3.2727 3.2727 3.3441 3.3441 6.1598 6.1598 7.6190 7.6190 8.5414 8.5414 9.5273 9.5273 9.7338 9.7338 9.8471 9.8471 k = 0.6060-0.1488-0.3981 ( 3992 PWs) bands (ev): -35.1569 -35.1569 -35.1226 -35.1226 -16.1635 -16.1635 -16.0531 -16.0531 -14.8091 -14.8091 -14.6824 -14.6824 -14.6127 -14.6127 -14.5643 -14.5643 -8.8881 -8.8881 -8.7428 -8.7428 2.0765 2.0765 2.5610 2.5610 2.9501 2.9501 2.9778 2.9778 3.2849 3.2849 3.3559 3.3559 6.1423 6.1423 7.6106 7.6106 8.5968 8.5968 9.5080 9.5080 9.7286 9.7286 9.8584 9.8584 k = 0.6002-0.1349-0.3726 ( 3992 PWs) bands (ev): -35.1579 -35.1579 -35.1230 -35.1230 -16.1620 -16.1620 -16.0493 -16.0493 -14.8084 -14.8084 -14.6766 -14.6766 -14.6063 -14.6063 -14.5636 -14.5636 -8.8955 -8.8955 -8.7490 -8.7490 2.0632 2.0632 2.5626 2.5626 2.9773 2.9773 3.0112 3.0112 3.2966 3.2966 3.3670 3.3670 6.1258 6.1258 7.6009 7.6009 8.6530 8.6530 9.4906 9.4906 9.7225 9.7225 9.8693 9.8693 k = 0.5943-0.1210-0.3471 ( 3992 PWs) bands (ev): -35.1589 -35.1589 -35.1234 -35.1234 -16.1605 -16.1605 -16.0457 -16.0457 -14.8078 -14.8078 -14.6709 -14.6709 -14.6002 -14.6002 -14.5629 -14.5629 -8.9025 -8.9025 -8.7550 -8.7550 2.0497 2.0497 2.5606 2.5606 3.0052 3.0052 3.0474 3.0474 3.3077 3.3077 3.3775 3.3775 6.1103 6.1103 7.5901 7.5901 8.7097 8.7097 9.4751 9.4751 9.7155 9.7155 9.8790 9.8790 k = 0.5884-0.1071-0.3217 ( 3992 PWs) bands (ev): -35.1599 -35.1599 -35.1239 -35.1239 -16.1592 -16.1592 -16.0422 -16.0422 -14.8073 -14.8073 -14.6652 -14.6652 -14.5944 -14.5944 -14.5622 -14.5622 -8.9093 -8.9093 -8.7608 -8.7608 2.0362 2.0362 2.5557 2.5557 3.0349 3.0349 3.0843 3.0843 3.3182 3.3182 3.3872 3.3872 6.0957 6.0957 7.5781 7.5781 8.7668 8.7668 9.4613 9.4613 9.7076 9.7076 9.8872 9.8872 k = 0.5825-0.0932-0.2962 ( 3996 PWs) bands (ev): -35.1608 -35.1608 -35.1243 -35.1243 -16.1579 -16.1579 -16.0390 -16.0390 -14.8068 -14.8068 -14.6595 -14.6595 -14.5891 -14.5891 -14.5615 -14.5615 -8.9157 -8.9157 -8.7665 -8.7665 2.0228 2.0228 2.5485 2.5485 3.0660 3.0660 3.1211 3.1211 3.3282 3.3282 3.3964 3.3964 6.0818 6.0818 7.5651 7.5651 8.8239 8.8239 9.4491 9.4491 9.6988 9.6988 9.8936 9.8936 k = 0.5766-0.0793-0.2708 ( 3994 PWs) bands (ev): -35.1617 -35.1617 -35.1247 -35.1247 -16.1566 -16.1566 -16.0359 -16.0359 -14.8064 -14.8064 -14.6539 -14.6539 -14.5845 -14.5845 -14.5604 -14.5604 -8.9218 -8.9218 -8.7719 -8.7719 2.0096 2.0096 2.5397 2.5397 3.0979 3.0979 3.1571 3.1571 3.3377 3.3377 3.4049 3.4049 6.0687 6.0687 7.5513 7.5513 8.8807 8.8807 9.4383 9.4383 9.6890 9.6890 9.8984 9.8984 k = 0.5707-0.0654-0.2453 ( 3998 PWs) bands (ev): -35.1625 -35.1625 -35.1250 -35.1250 -16.1555 -16.1555 -16.0330 -16.0330 -14.8060 -14.8060 -14.6483 -14.6483 -14.5808 -14.5808 -14.5589 -14.5589 -8.9275 -8.9275 -8.7770 -8.7770 1.9969 1.9969 2.5299 2.5299 3.1301 3.1301 3.1920 3.1920 3.3466 3.3466 3.4128 3.4128 6.0563 6.0563 7.5368 7.5368 8.9369 8.9369 9.4286 9.4286 9.6785 9.6785 9.9023 9.9023 k = 0.5648-0.0514-0.2198 ( 3996 PWs) bands (ev): -35.1632 -35.1632 -35.1254 -35.1254 -16.1544 -16.1544 -16.0303 -16.0303 -14.8057 -14.8057 -14.6429 -14.6429 -14.5782 -14.5782 -14.5568 -14.5568 -8.9328 -8.9328 -8.7819 -8.7819 1.9848 1.9848 2.5196 2.5196 3.1618 3.1618 3.2253 3.2253 3.3551 3.3551 3.4203 3.4203 6.0446 6.0446 7.5220 7.5220 8.9920 8.9920 9.4198 9.4198 9.6674 9.6674 9.9060 9.9060 k = 0.5589-0.0375-0.1944 ( 3986 PWs) bands (ev): -35.1639 -35.1639 -35.1257 -35.1257 -16.1534 -16.1534 -16.0279 -16.0279 -14.8054 -14.8054 -14.6375 -14.6375 -14.5768 -14.5768 -14.5541 -14.5541 -8.9377 -8.9377 -8.7864 -8.7864 1.9733 1.9733 2.5091 2.5091 3.1924 3.1924 3.2566 3.2566 3.3633 3.3633 3.4274 3.4274 6.0335 6.0335 7.5071 7.5071 9.0455 9.0455 9.4118 9.4118 9.6558 9.6558 9.9104 9.9104 k = 0.5530-0.0236-0.1689 ( 3992 PWs) bands (ev): -35.1646 -35.1646 -35.1260 -35.1260 -16.1526 -16.1526 -16.0256 -16.0256 -14.8052 -14.8052 -14.6323 -14.6323 -14.5763 -14.5763 -14.5510 -14.5510 -8.9422 -8.9422 -8.7906 -8.7906 1.9626 1.9626 2.4988 2.4988 3.2213 3.2213 3.2856 3.2856 3.3711 3.3711 3.4342 3.4342 6.0231 6.0231 7.4924 7.4924 9.0968 9.0968 9.4044 9.4044 9.6441 9.6441 9.9162 9.9162 k = 0.5471-0.0097-0.1435 ( 4000 PWs) bands (ev): -35.1652 -35.1652 -35.1263 -35.1263 -16.1518 -16.1518 -16.0236 -16.0236 -14.8050 -14.8050 -14.6273 -14.6273 -14.5766 -14.5766 -14.5478 -14.5478 -8.9463 -8.9463 -8.7945 -8.7945 1.9528 1.9528 2.4890 2.4890 3.2479 3.2479 3.3117 3.3117 3.3788 3.3788 3.4409 3.4409 6.0135 6.0135 7.4782 7.4782 9.1454 9.1454 9.3976 9.3976 9.6325 9.6325 9.9236 9.9236 k = 0.5412 0.0042-0.1180 ( 4004 PWs) bands (ev): -35.1657 -35.1657 -35.1265 -35.1265 -16.1511 -16.1511 -16.0218 -16.0218 -14.8048 -14.8048 -14.6224 -14.6224 -14.5774 -14.5774 -14.5447 -14.5447 -8.9499 -8.9499 -8.7979 -8.7979 1.9439 1.9439 2.4798 2.4798 3.2717 3.2717 3.3347 3.3347 3.3864 3.3864 3.4476 3.4476 6.0047 6.0047 7.4647 7.4647 9.1906 9.1906 9.3915 9.3915 9.6214 9.6214 9.9328 9.9328 k = 0.5353 0.0181-0.0925 ( 4010 PWs) bands (ev): -35.1661 -35.1661 -35.1268 -35.1268 -16.1505 -16.1505 -16.0203 -16.0203 -14.8047 -14.8047 -14.6178 -14.6178 -14.5787 -14.5787 -14.5418 -14.5418 -8.9531 -8.9531 -8.8009 -8.8009 1.9361 1.9361 2.4715 2.4715 3.2921 3.2921 3.3543 3.3543 3.3940 3.3940 3.4544 3.4544 5.9968 5.9968 7.4524 7.4524 9.2315 9.2315 9.3862 9.3862 9.6109 9.6109 9.9431 9.9431 k = 0.5295 0.0320-0.0671 ( 4010 PWs) bands (ev): -35.1665 -35.1665 -35.1269 -35.1269 -16.1499 -16.1499 -16.0189 -16.0189 -14.8045 -14.8045 -14.6133 -14.6133 -14.5803 -14.5803 -14.5393 -14.5393 -8.9557 -8.9557 -8.8035 -8.8035 1.9293 1.9293 2.4643 2.4643 3.3089 3.3089 3.3703 3.3703 3.4014 3.4014 3.4612 3.4612 5.9898 5.9898 7.4414 7.4414 9.2673 9.2673 9.3820 9.3820 9.6015 9.6015 9.9537 9.9537 k = 0.5236 0.0459-0.0416 ( 4018 PWs) bands (ev): -35.1668 -35.1668 -35.1271 -35.1271 -16.1495 -16.1495 -16.0179 -16.0179 -14.8044 -14.8044 -14.6091 -14.6091 -14.5822 -14.5822 -14.5371 -14.5371 -8.9580 -8.9580 -8.8057 -8.8057 1.9237 1.9237 2.4582 2.4582 3.3220 3.3220 3.3828 3.3828 3.4084 3.4084 3.4678 3.4678 5.9840 5.9840 7.4320 7.4320 9.2968 9.2968 9.3796 9.3796 9.5933 9.5933 9.9634 9.9634 k = 0.5177 0.0598-0.0161 ( 4020 PWs) bands (ev): -35.1671 -35.1671 -35.1272 -35.1272 -16.1492 -16.1492 -16.0170 -16.0170 -14.8044 -14.8044 -14.6052 -14.6052 -14.5843 -14.5843 -14.5354 -14.5354 -8.9597 -8.9597 -8.8073 -8.8073 1.9193 1.9193 2.4533 2.4533 3.3316 3.3316 3.3920 3.3920 3.4147 3.4147 3.4738 3.4738 5.9793 5.9793 7.4245 7.4245 9.3188 9.3188 9.3795 9.3795 9.5866 9.5866 9.9708 9.9708 k = 0.5118 0.0737 0.0093 ( 4016 PWs) bands (ev): -35.1673 -35.1673 -35.1273 -35.1273 -16.1489 -16.1489 -16.0164 -16.0164 -14.8043 -14.8043 -14.6016 -14.6016 -14.5866 -14.5866 -14.5342 -14.5342 -8.9609 -8.9609 -8.8085 -8.8085 1.9162 1.9162 2.4498 2.4498 3.3381 3.3381 3.3982 3.3982 3.4196 3.4196 3.4786 3.4786 5.9760 5.9760 7.4190 7.4190 9.3323 9.3323 9.3820 9.3820 9.5817 9.5817 9.9750 9.9750 k = 0.5059 0.0876 0.0348 ( 4018 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0160 -16.0160 -14.8043 -14.8043 -14.5987 -14.5987 -14.5887 -14.5887 -14.5334 -14.5334 -8.9617 -8.9617 -8.8093 -8.8093 1.9143 1.9143 2.4477 2.4477 3.3418 3.3418 3.4018 3.4018 3.4228 3.4228 3.4817 3.4817 5.9739 5.9739 7.4156 7.4156 9.3387 9.3387 9.3855 9.3855 9.5787 9.5787 9.9765 9.9765 k = 0.5000 0.1015 0.0602 ( 4010 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1487 -16.1487 -16.0159 -16.0159 -14.8043 -14.8043 -14.5974 -14.5974 -14.5898 -14.5898 -14.5332 -14.5332 -8.9619 -8.9619 -8.8095 -8.8095 1.9136 1.9136 2.4470 2.4470 3.3430 3.3430 3.4030 3.4030 3.4239 3.4239 3.4827 3.4827 5.9732 5.9732 7.4145 7.4145 9.3404 9.3404 9.3871 9.3871 9.5777 9.5777 9.9768 9.9768 k = 0.5000 0.1015 0.0602 ( 4010 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1487 -16.1487 -16.0159 -16.0159 -14.8043 -14.8043 -14.5974 -14.5974 -14.5898 -14.5898 -14.5332 -14.5332 -8.9619 -8.9619 -8.8095 -8.8095 1.9136 1.9136 2.4470 2.4470 3.3430 3.3430 3.4030 3.4030 3.4239 3.4239 3.4827 3.4827 5.9732 5.9732 7.4145 7.4145 9.3404 9.3404 9.3871 9.3871 9.5777 9.5777 9.9768 9.9768 k = 0.4722 0.0959 0.0569 ( 4007 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0159 -16.0159 -14.8043 -14.8043 -14.5974 -14.5974 -14.5898 -14.5898 -14.5332 -14.5332 -8.9621 -8.9621 -8.8093 -8.8093 1.9117 1.9117 2.4497 2.4497 3.3427 3.3427 3.4033 3.4033 3.4236 3.4236 3.4831 3.4831 5.9699 5.9699 7.4173 7.4173 9.3407 9.3407 9.3874 9.3874 9.5782 9.5782 9.9765 9.9765 k = 0.4444 0.0903 0.0535 ( 4007 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0159 -16.0159 -14.8043 -14.8043 -14.5973 -14.5973 -14.5898 -14.5898 -14.5332 -14.5332 -8.9627 -8.9627 -8.8087 -8.8087 1.9060 1.9060 2.4577 2.4577 3.3418 3.3418 3.4042 3.4042 3.4227 3.4227 3.4840 3.4840 5.9603 5.9603 7.4255 7.4255 9.3415 9.3415 9.3881 9.3881 9.5797 9.5797 9.9754 9.9754 k = 0.4167 0.0846 0.0502 ( 4013 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0159 -16.0159 -14.8043 -14.8043 -14.5973 -14.5973 -14.5898 -14.5898 -14.5332 -14.5332 -8.9636 -8.9636 -8.8077 -8.8077 1.8969 1.8969 2.4705 2.4705 3.3404 3.3404 3.4057 3.4057 3.4212 3.4212 3.4855 3.4855 5.9447 5.9447 7.4387 7.4387 9.3427 9.3427 9.3893 9.3893 9.5822 9.5822 9.9735 9.9735 k = 0.3889 0.0790 0.0468 ( 4010 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0159 -16.0159 -14.8044 -14.8044 -14.5972 -14.5972 -14.5898 -14.5898 -14.5332 -14.5332 -8.9649 -8.9649 -8.8065 -8.8065 1.8853 1.8853 2.4874 2.4874 3.3386 3.3386 3.4076 3.4076 3.4193 3.4193 3.4874 3.4874 5.9239 5.9239 7.4562 7.4562 9.3444 9.3444 9.3910 9.3910 9.5858 9.5858 9.9711 9.9711 k = 0.3611 0.0733 0.0435 ( 4007 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0159 -16.0159 -14.8044 -14.8044 -14.5972 -14.5972 -14.5898 -14.5898 -14.5332 -14.5332 -8.9664 -8.9664 -8.8049 -8.8049 1.8717 1.8717 2.5074 2.5074 3.3366 3.3366 3.4098 3.4098 3.4172 3.4172 3.4897 3.4897 5.8988 5.8988 7.4771 7.4771 9.3465 9.3465 9.3931 9.3931 9.5904 9.5904 9.9680 9.9680 k = 0.3333 0.0677 0.0402 ( 4007 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0158 -16.0158 -14.8045 -14.8045 -14.5971 -14.5971 -14.5898 -14.5898 -14.5332 -14.5332 -8.9682 -8.9682 -8.8031 -8.8031 1.8569 1.8569 2.5298 2.5298 3.3343 3.3343 3.4122 3.4122 3.4148 3.4148 3.4921 3.4921 5.8704 5.8704 7.5005 7.5005 9.3490 9.3490 9.3955 9.3955 9.5960 9.5960 9.9644 9.9644 k = 0.3056 0.0621 0.0368 ( 4001 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1489 -16.1489 -16.0158 -16.0158 -14.8046 -14.8046 -14.5970 -14.5970 -14.5898 -14.5898 -14.5332 -14.5332 -8.9700 -8.9700 -8.8012 -8.8012 1.8415 1.8415 2.5536 2.5536 3.3320 3.3320 3.4124 3.4124 3.4147 3.4147 3.4946 3.4946 5.8397 5.8397 7.5255 7.5255 9.3518 9.3518 9.3982 9.3982 9.6026 9.6026 9.9604 9.9604 k = 0.2778 0.0564 0.0335 ( 4000 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1489 -16.1489 -16.0158 -16.0158 -14.8046 -14.8046 -14.5969 -14.5969 -14.5898 -14.5898 -14.5332 -14.5332 -8.9720 -8.9720 -8.7992 -8.7992 1.8261 1.8261 2.5781 2.5781 3.3296 3.3296 3.4099 3.4099 3.4173 3.4173 3.4972 3.4972 5.8077 5.8077 7.5511 7.5511 9.3548 9.3548 9.4011 9.4011 9.6102 9.6102 9.9560 9.9560 k = 0.2500 0.0508 0.0301 ( 4015 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1489 -16.1489 -16.0158 -16.0158 -14.8047 -14.8047 -14.5968 -14.5968 -14.5898 -14.5898 -14.5332 -14.5332 -8.9739 -8.9739 -8.7972 -8.7972 1.8111 1.8111 2.6027 2.6027 3.3273 3.3273 3.4075 3.4075 3.4198 3.4198 3.4996 3.4996 5.7755 5.7755 7.5765 7.5765 9.3580 9.3580 9.4042 9.4042 9.6184 9.6184 9.9514 9.9514 k = 0.2222 0.0451 0.0268 ( 4003 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1489 -16.1489 -16.0157 -16.0157 -14.8048 -14.8048 -14.5967 -14.5967 -14.5898 -14.5898 -14.5332 -14.5332 -8.9759 -8.9759 -8.7952 -8.7952 1.7969 1.7969 2.6265 2.6265 3.3252 3.3252 3.4053 3.4053 3.4222 3.4222 3.5020 3.5020 5.7440 5.7440 7.6011 7.6011 9.3613 9.3613 9.4074 9.4074 9.6272 9.6272 9.9467 9.9467 k = 0.1944 0.0395 0.0234 ( 4003 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1490 -16.1490 -16.0157 -16.0157 -14.8049 -14.8049 -14.5966 -14.5966 -14.5898 -14.5898 -14.5332 -14.5332 -8.9777 -8.9777 -8.7933 -8.7933 1.7837 1.7837 2.6492 2.6492 3.3231 3.3231 3.4032 3.4032 3.4244 3.4244 3.5042 3.5042 5.7139 5.7139 7.6240 7.6240 9.3644 9.3644 9.4105 9.4105 9.6362 9.6362 9.9421 9.9421 k = 0.1667 0.0338 0.0201 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1490 -16.1490 -16.0157 -16.0157 -14.8049 -14.8049 -14.5965 -14.5965 -14.5898 -14.5898 -14.5332 -14.5332 -8.9794 -8.9794 -8.7916 -8.7916 1.7719 1.7719 2.6700 2.6700 3.3213 3.3213 3.4013 3.4013 3.4265 3.4265 3.5062 3.5062 5.6862 5.6862 7.6449 7.6449 9.3675 9.3675 9.4134 9.4134 9.6451 9.6451 9.9377 9.9377 k = 0.1389 0.0282 0.0167 ( 3994 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1490 -16.1490 -16.0157 -16.0157 -14.8050 -14.8050 -14.5964 -14.5964 -14.5898 -14.5898 -14.5332 -14.5332 -8.9809 -8.9809 -8.7901 -8.7901 1.7617 1.7617 2.6885 2.6885 3.3197 3.3197 3.3996 3.3996 3.4283 3.4283 3.5079 3.5079 5.6615 5.6615 7.6632 7.6632 9.3703 9.3703 9.4162 9.4162 9.6536 9.6536 9.9337 9.9337 k = 0.1111 0.0226 0.0134 ( 3994 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1490 -16.1490 -16.0156 -16.0156 -14.8051 -14.8051 -14.5963 -14.5963 -14.5898 -14.5898 -14.5332 -14.5332 -8.9821 -8.9821 -8.7888 -8.7888 1.7531 1.7531 2.7043 2.7043 3.3184 3.3184 3.3983 3.3983 3.4298 3.4298 3.5093 3.5093 5.6404 5.6404 7.6786 7.6786 9.3727 9.3727 9.4185 9.4185 9.6613 9.6613 9.9302 9.9302 k = 0.0833 0.0169 0.0100 ( 4000 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8051 -14.8051 -14.5963 -14.5963 -14.5898 -14.5898 -14.5332 -14.5332 -8.9831 -8.9831 -8.7877 -8.7877 1.7463 1.7463 2.7170 2.7170 3.3173 3.3173 3.3972 3.3972 3.4310 3.4310 3.5105 3.5105 5.6234 5.6234 7.6908 7.6908 9.3747 9.3747 9.4205 9.4205 9.6677 9.6677 9.9273 9.9273 k = 0.0556 0.0113 0.0067 ( 4006 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8052 -14.8052 -14.5962 -14.5962 -14.5898 -14.5898 -14.5332 -14.5332 -8.9839 -8.9839 -8.7869 -8.7869 1.7413 1.7413 2.7263 2.7263 3.3166 3.3166 3.3964 3.3964 3.4319 3.4319 3.5113 3.5113 5.6110 5.6110 7.6997 7.6997 9.3762 9.3762 9.4219 9.4219 9.6726 9.6726 9.9251 9.9251 k = 0.0278 0.0056 0.0033 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8052 -14.8052 -14.5962 -14.5962 -14.5898 -14.5898 -14.5332 -14.5332 -8.9843 -8.9843 -8.7865 -8.7865 1.7384 1.7384 2.7320 2.7320 3.3161 3.3161 3.3959 3.3959 3.4324 3.4324 3.5118 3.5118 5.6034 5.6034 7.7050 7.7050 9.3771 9.3771 9.4228 9.4228 9.6757 9.6757 9.9238 9.9238 k = 0.0000 0.0000 0.0000 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8052 -14.8052 -14.5962 -14.5962 -14.5898 -14.5898 -14.5332 -14.5332 -8.9845 -8.9845 -8.7863 -8.7863 1.7374 1.7374 2.7339 2.7339 3.3159 3.3159 3.3958 3.3958 3.4326 3.4326 3.5120 3.5120 5.6009 5.6009 7.7069 7.7069 9.3774 9.3774 9.4231 9.4231 9.6767 9.6767 9.9234 9.9234 k = 0.0000 0.0000 0.0000 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1491 -16.1491 -16.0156 -16.0156 -14.8052 -14.8052 -14.5962 -14.5962 -14.5898 -14.5898 -14.5332 -14.5332 -8.9845 -8.9845 -8.7863 -8.7863 1.7374 1.7374 2.7339 2.7339 3.3159 3.3159 3.3958 3.3958 3.4326 3.4326 3.5120 3.5120 5.6009 5.6009 7.7069 7.7069 9.3774 9.3774 9.4231 9.4231 9.6767 9.6767 9.9234 9.9234 k = 0.0059-0.0140-0.0256 ( 3997 PWs) bands (ev): -35.1674 -35.1674 -35.1273 -35.1273 -16.1491 -16.1491 -16.0157 -16.0157 -14.8052 -14.8052 -14.5977 -14.5977 -14.5886 -14.5886 -14.5334 -14.5334 -8.9842 -8.9842 -8.7861 -8.7861 1.7383 1.7383 2.7344 2.7344 3.3149 3.3149 3.3944 3.3944 3.4313 3.4313 3.5104 3.5104 5.6030 5.6030 7.7063 7.7063 9.3756 9.3756 9.4214 9.4214 9.6776 9.6776 9.9245 9.9245 k = 0.0119-0.0280-0.0512 ( 3999 PWs) bands (ev): -35.1673 -35.1673 -35.1273 -35.1273 -16.1493 -16.1493 -16.0161 -16.0161 -14.8052 -14.8052 -14.6008 -14.6008 -14.5862 -14.5862 -14.5342 -14.5342 -8.9833 -8.9833 -8.7856 -8.7856 1.7413 1.7413 2.7359 2.7359 3.3116 3.3116 3.3906 3.3906 3.4271 3.4271 3.5059 3.5059 5.6094 5.6094 7.7048 7.7048 9.3688 9.3688 9.4178 9.4178 9.6801 9.6801 9.9278 9.9278 k = 0.0178-0.0420-0.0769 ( 3991 PWs) bands (ev): -35.1671 -35.1671 -35.1272 -35.1272 -16.1495 -16.1495 -16.0167 -16.0167 -14.8053 -14.8053 -14.6044 -14.6044 -14.5839 -14.5839 -14.5354 -14.5354 -8.9817 -8.9817 -8.7846 -8.7846 1.7462 1.7462 2.7384 2.7384 3.3059 3.3059 3.3843 3.3843 3.4196 3.4196 3.4994 3.4994 5.6198 5.6198 7.7023 7.7023 9.3545 9.3545 9.4151 9.4151 9.6842 9.6842 9.9331 9.9331 k = 0.0237-0.0560-0.1025 ( 3989 PWs) bands (ev): -35.1668 -35.1668 -35.1271 -35.1271 -16.1498 -16.1498 -16.0176 -16.0176 -14.8053 -14.8053 -14.6084 -14.6084 -14.5817 -14.5817 -14.5372 -14.5372 -8.9796 -8.9796 -8.7834 -8.7834 1.7530 1.7530 2.7417 2.7417 3.2974 3.2974 3.3755 3.3755 3.4083 3.4083 3.4920 3.4920 5.6340 5.6340 7.6987 7.6987 9.3315 9.3315 9.4152 9.4152 9.6898 9.6898 9.9404 9.9404 k = 0.0296-0.0700-0.1281 ( 3993 PWs) bands (ev): -35.1665 -35.1665 -35.1269 -35.1269 -16.1503 -16.1503 -16.0187 -16.0187 -14.8054 -14.8054 -14.6127 -14.6127 -14.5798 -14.5798 -14.5394 -14.5394 -8.9768 -8.9768 -8.7817 -8.7817 1.7616 1.7616 2.7460 2.7460 3.2858 3.2858 3.3630 3.3630 3.3945 3.3945 3.4845 3.4845 5.6518 5.6518 7.6943 7.6943 9.3006 9.3006 9.4178 9.4178 9.6965 9.6965 9.9492 9.9492 k = 0.0356-0.0840-0.1537 ( 3991 PWs) bands (ev): -35.1661 -35.1661 -35.1267 -35.1267 -16.1508 -16.1508 -16.0200 -16.0200 -14.8055 -14.8055 -14.6172 -14.6172 -14.5781 -14.5781 -14.5419 -14.5419 -8.9735 -8.9735 -8.7797 -8.7797 1.7721 1.7721 2.7511 2.7511 3.2710 3.2710 3.3444 3.3444 3.3808 3.3808 3.4775 3.4775 5.6728 5.6728 7.6889 7.6889 9.2632 9.2632 9.4225 9.4225 9.7042 9.7042 9.9593 9.9593 k = 0.0415-0.0980-0.1794 ( 3993 PWs) bands (ev): -35.1657 -35.1657 -35.1265 -35.1265 -16.1514 -16.1514 -16.0216 -16.0216 -14.8057 -14.8057 -14.6220 -14.6220 -14.5769 -14.5769 -14.5448 -14.5448 -8.9696 -8.9696 -8.7774 -8.7774 1.7843 1.7843 2.7569 2.7569 3.2528 3.2528 3.3183 3.3183 3.3694 3.3694 3.4707 3.4707 5.6965 5.6965 7.6828 7.6828 9.2205 9.2205 9.4287 9.4287 9.7126 9.7126 9.9700 9.9700 k = 0.0474-0.1120-0.2050 ( 3991 PWs) bands (ev): -35.1651 -35.1651 -35.1263 -35.1263 -16.1521 -16.1521 -16.0234 -16.0234 -14.8059 -14.8059 -14.6269 -14.6269 -14.5761 -14.5761 -14.5480 -14.5480 -8.9652 -8.9652 -8.7747 -8.7747 1.7982 1.7982 2.7633 2.7633 3.2314 3.2314 3.2860 3.2860 3.3597 3.3597 3.4641 3.4641 5.7227 5.7227 7.6759 7.6759 9.1734 9.1734 9.4364 9.4364 9.7215 9.7215 9.9804 9.9804 k = 0.0534-0.1260-0.2306 ( 3985 PWs) bands (ev): -35.1646 -35.1646 -35.1260 -35.1260 -16.1529 -16.1529 -16.0255 -16.0255 -14.8060 -14.8060 -14.6320 -14.6320 -14.5759 -14.5759 -14.5512 -14.5512 -8.9603 -8.9603 -8.7717 -8.7717 1.8137 1.8137 2.7702 2.7702 3.2070 3.2070 3.2494 3.2494 3.3508 3.3508 3.4572 3.4572 5.7508 5.7508 7.6684 7.6684 9.1228 9.1228 9.4455 9.4455 9.7305 9.7305 9.9895 9.9895 k = 0.0593-0.1400-0.2562 ( 3991 PWs) bands (ev): -35.1639 -35.1639 -35.1257 -35.1257 -16.1538 -16.1538 -16.0278 -16.0278 -14.8063 -14.8063 -14.6373 -14.6373 -14.5765 -14.5765 -14.5542 -14.5542 -8.9548 -8.9548 -8.7684 -8.7684 1.8307 1.8307 2.7774 2.7774 3.1799 3.1799 3.2097 3.2097 3.3421 3.3421 3.4500 3.4500 5.7807 5.7807 7.6604 7.6604 9.0692 9.0692 9.4559 9.4559 9.7395 9.7395 9.9960 9.9960 k = 0.0652-0.1540-0.2819 ( 3993 PWs) bands (ev): -35.1632 -35.1632 -35.1254 -35.1254 -16.1548 -16.1548 -16.0303 -16.0303 -14.8065 -14.8065 -14.6427 -14.6427 -14.5781 -14.5781 -14.5568 -14.5568 -8.9488 -8.9488 -8.7648 -8.7648 1.8490 1.8490 2.7846 2.7846 3.1498 3.1498 3.1684 3.1684 3.3332 3.3332 3.4423 3.4423 5.8120 5.8120 7.6520 7.6520 9.0134 9.0134 9.4676 9.4676 9.7484 9.7484 9.9992 9.9992 k = 0.0712-0.1680-0.3075 ( 3989 PWs) bands (ev): -35.1624 -35.1624 -35.1250 -35.1250 -16.1558 -16.1558 -16.0330 -16.0330 -14.8068 -14.8068 -14.6482 -14.6482 -14.5809 -14.5809 -14.5588 -14.5588 -8.9424 -8.9424 -8.7610 -8.7610 1.8686 1.8686 2.7917 2.7917 3.1145 3.1145 3.1290 3.1290 3.3240 3.3240 3.4341 3.4341 5.8443 5.8443 7.6434 7.6434 8.9558 8.9558 9.4805 9.4805 9.7569 9.7569 9.9986 9.9986 k = 0.0771-0.1820-0.3331 ( 3991 PWs) bands (ev): -35.1616 -35.1616 -35.1246 -35.1246 -16.1570 -16.1570 -16.0359 -16.0359 -14.8072 -14.8072 -14.6538 -14.6538 -14.5847 -14.5847 -14.5602 -14.5602 -8.9356 -8.9356 -8.7569 -8.7569 1.8893 1.8893 2.7981 2.7981 3.0720 3.0720 3.0946 3.0946 3.3142 3.3142 3.4252 3.4252 5.8775 5.8775 7.6346 7.6346 8.8971 8.8971 9.4946 9.4946 9.7651 9.7651 9.9944 9.9944 k = 0.0830-0.1960-0.3587 ( 3993 PWs) bands (ev): -35.1607 -35.1607 -35.1242 -35.1242 -16.1582 -16.1582 -16.0390 -16.0390 -14.8076 -14.8076 -14.6595 -14.6595 -14.5895 -14.5895 -14.5612 -14.5612 -8.9283 -8.9283 -8.7525 -8.7525 1.9109 1.9109 2.8031 2.8031 3.0266 3.0266 3.0624 3.0624 3.3038 3.3038 3.4156 3.4156 5.9114 5.9114 7.6259 7.6259 8.8376 8.8376 9.5099 9.5099 9.7731 9.7731 9.9871 9.9871 k = 0.0889-0.2100-0.3844 ( 3995 PWs) bands (ev): -35.1598 -35.1598 -35.1238 -35.1238 -16.1595 -16.1595 -16.0423 -16.0423 -14.8081 -14.8081 -14.6652 -14.6652 -14.5949 -14.5949 -14.5620 -14.5620 -8.9207 -8.9207 -8.7480 -8.7480 1.9332 1.9332 2.8059 2.8059 2.9805 2.9805 3.0317 3.0317 3.2927 3.2927 3.4053 3.4053 5.9459 5.9459 7.6174 7.6174 8.7777 8.7777 9.5263 9.5263 9.7808 9.7808 9.9777 9.9777 k = 0.0949-0.2240-0.4100 ( 3989 PWs) bands (ev): -35.1588 -35.1588 -35.1234 -35.1234 -16.1609 -16.1609 -16.0458 -16.0458 -14.8086 -14.8086 -14.6710 -14.6710 -14.6008 -14.6008 -14.5626 -14.5626 -8.9128 -8.9128 -8.7433 -8.7433 1.9561 1.9561 2.8050 2.8050 2.9348 2.9348 3.0037 3.0037 3.2807 3.2807 3.3942 3.3942 5.9808 5.9808 7.6093 7.6093 8.7178 8.7178 9.5436 9.5436 9.7884 9.7884 9.9669 9.9669 k = 0.1008-0.2380-0.4356 ( 3985 PWs) bands (ev): -35.1578 -35.1578 -35.1230 -35.1230 -16.1624 -16.1624 -16.0495 -16.0495 -14.8092 -14.8092 -14.6768 -14.6768 -14.6071 -14.6071 -14.5633 -14.5633 -8.9045 -8.9045 -8.7384 -8.7384 1.9793 1.9793 2.7980 2.7980 2.8902 2.8902 2.9804 2.9804 3.2679 3.2679 3.3824 3.3824 6.0160 6.0160 7.6016 7.6016 8.6581 8.6581 9.5618 9.5618 9.7960 9.7960 9.9554 9.9554 k = 0.1067-0.2519-0.4612 ( 3987 PWs) bands (ev): -35.1568 -35.1568 -35.1225 -35.1225 -16.1639 -16.1639 -16.0533 -16.0533 -14.8098 -14.8098 -14.6826 -14.6826 -14.6135 -14.6135 -14.5641 -14.5641 -8.8960 -8.8960 -8.7333 -8.7333 2.0025 2.0025 2.7829 2.7829 2.8476 2.8476 2.9635 2.9635 3.2542 3.2542 3.3699 3.3699 6.0515 6.0515 7.5945 7.5945 8.5990 8.5990 9.5807 9.5807 9.8038 9.8038 9.9438 9.9438 k = 0.1127-0.2659-0.4869 ( 3987 PWs) bands (ev): -35.1557 -35.1557 -35.1220 -35.1220 -16.1654 -16.1654 -16.0573 -16.0573 -14.8106 -14.8106 -14.6883 -14.6883 -14.6201 -14.6201 -14.5649 -14.5649 -8.8872 -8.8872 -8.7281 -8.7281 2.0254 2.0254 2.7589 2.7589 2.8076 2.8076 2.9538 2.9538 3.2396 3.2396 3.3566 3.3566 6.0874 6.0874 7.5881 7.5881 8.5405 8.5405 9.6001 9.6001 9.8116 9.8116 9.9328 9.9328 k = 0.1186-0.2799-0.5125 ( 3977 PWs) bands (ev): -35.1545 -35.1545 -35.1216 -35.1216 -16.1671 -16.1671 -16.0614 -16.0614 -14.8114 -14.8114 -14.6941 -14.6941 -14.6267 -14.6267 -14.5659 -14.5659 -8.8782 -8.8782 -8.7228 -8.7228 2.0476 2.0476 2.7280 2.7280 2.7700 2.7700 2.9501 2.9501 3.2242 3.2242 3.3426 3.3426 6.1235 6.1235 7.5825 7.5825 8.4831 8.4831 9.6198 9.6198 9.8198 9.8198 9.9228 9.9228 k = 0.1245-0.2939-0.5381 ( 3975 PWs) bands (ev): -35.1534 -35.1534 -35.1211 -35.1211 -16.1687 -16.1687 -16.0656 -16.0656 -14.8123 -14.8123 -14.6998 -14.6998 -14.6333 -14.6333 -14.5670 -14.5670 -8.8691 -8.8691 -8.7175 -8.7175 2.0687 2.0687 2.6939 2.6939 2.7338 2.7338 2.9505 2.9505 3.2078 3.2078 3.3279 3.3279 6.1599 6.1599 7.5778 7.5778 8.4267 8.4267 9.6396 9.6396 9.8283 9.8283 9.9141 9.9141 k = 0.1304-0.3079-0.5637 ( 3981 PWs) bands (ev): -35.1522 -35.1522 -35.1206 -35.1206 -16.1704 -16.1704 -16.0700 -16.0700 -14.8133 -14.8133 -14.7054 -14.7054 -14.6399 -14.6399 -14.5682 -14.5682 -8.8598 -8.8598 -8.7120 -8.7120 2.0881 2.0881 2.6596 2.6596 2.6982 2.6982 2.9533 2.9533 3.1905 3.1905 3.3125 3.3125 6.1966 6.1966 7.5741 7.5741 8.3716 8.3716 9.6592 9.6592 9.8370 9.8370 9.9071 9.9071 k = 0.1364-0.3219-0.5894 ( 3983 PWs) bands (ev): -35.1510 -35.1510 -35.1202 -35.1202 -16.1722 -16.1722 -16.0744 -16.0744 -14.8144 -14.8144 -14.7110 -14.7110 -14.6463 -14.6463 -14.5696 -14.5696 -8.8503 -8.8503 -8.7066 -8.7066 2.1053 2.1053 2.6266 2.6266 2.6635 2.6635 2.9574 2.9574 3.1725 3.1725 3.2965 3.2965 6.2337 6.2337 7.5715 7.5715 8.3179 8.3179 9.6783 9.6783 9.8458 9.8458 9.9022 9.9022 k = 0.1423-0.3359-0.6150 ( 3975 PWs) bands (ev): -35.1498 -35.1498 -35.1197 -35.1197 -16.1739 -16.1739 -16.0789 -16.0789 -14.8157 -14.8157 -14.7166 -14.7166 -14.6526 -14.6526 -14.5711 -14.5711 -8.8408 -8.8408 -8.7011 -8.7011 2.1195 2.1195 2.5955 2.5955 2.6308 2.6308 2.9620 2.9620 3.1536 3.1536 3.2799 3.2799 6.2711 6.2711 7.5699 7.5699 8.2657 8.2657 9.6967 9.6967 9.8548 9.8548 9.8996 9.8996 k = 0.1482-0.3499-0.6406 ( 3977 PWs) bands (ev): -35.1485 -35.1485 -35.1193 -35.1193 -16.1756 -16.1756 -16.0835 -16.0835 -14.8170 -14.8170 -14.7222 -14.7222 -14.6586 -14.6586 -14.5728 -14.5728 -8.8313 -8.8313 -8.6957 -8.6957 2.1301 2.1301 2.5653 2.5653 2.6022 2.6022 2.9666 2.9666 3.1340 3.1340 3.2629 3.2629 6.3090 6.3090 7.5693 7.5693 8.2151 8.2151 9.7141 9.7141 9.8637 9.8637 9.8996 9.8996 k = 0.1542-0.3639-0.6662 ( 3989 PWs) bands (ev): -35.1473 -35.1473 -35.1188 -35.1188 -16.1774 -16.1774 -16.0881 -16.0881 -14.8184 -14.8184 -14.7277 -14.7277 -14.6642 -14.6642 -14.5747 -14.5747 -8.8218 -8.8218 -8.6902 -8.6902 2.1364 2.1364 2.5347 2.5347 2.5802 2.5802 2.9709 2.9709 3.1138 3.1138 3.2454 3.2454 6.3473 6.3473 7.5698 7.5698 8.1662 8.1662 9.7301 9.7301 9.8725 9.8725 9.9022 9.9022 k = 0.1601-0.3779-0.6919 ( 3985 PWs) bands (ev): -35.1460 -35.1460 -35.1184 -35.1184 -16.1791 -16.1791 -16.0927 -16.0927 -14.8199 -14.8199 -14.7332 -14.7332 -14.6696 -14.6696 -14.5766 -14.5766 -8.8122 -8.8122 -8.6849 -8.6849 2.1381 2.1381 2.5031 2.5031 2.5657 2.5657 2.9744 2.9744 3.0931 3.0931 3.2277 3.2277 6.3860 6.3860 7.5714 7.5714 8.1191 8.1191 9.7447 9.7447 9.8815 9.8815 9.9072 9.9072 k = 0.1660-0.3919-0.7175 ( 3985 PWs) bands (ev): -35.1448 -35.1448 -35.1180 -35.1180 -16.1808 -16.1808 -16.0974 -16.0974 -14.8215 -14.8215 -14.7387 -14.7387 -14.6745 -14.6745 -14.5788 -14.5788 -8.8028 -8.8028 -8.6796 -8.6796 2.1353 2.1353 2.4714 2.4714 2.5582 2.5582 2.9769 2.9769 3.0720 3.0720 3.2099 3.2099 6.4252 6.4252 7.5740 7.5740 8.0738 8.0738 9.7577 9.7577 9.8911 9.8911 9.9140 9.9140 k = 0.1720-0.4059-0.7431 ( 3981 PWs) bands (ev): -35.1435 -35.1435 -35.1176 -35.1176 -16.1825 -16.1825 -16.1020 -16.1020 -14.8232 -14.8232 -14.7442 -14.7442 -14.6790 -14.6790 -14.5810 -14.5810 -8.7933 -8.7933 -8.6744 -8.6744 2.1285 2.1285 2.4402 2.4402 2.5565 2.5565 2.9782 2.9782 3.0507 3.0507 3.1922 3.1922 6.4649 6.4649 7.5775 7.5775 8.0304 8.0304 9.7694 9.7694 9.9013 9.9013 9.9221 9.9221 k = 0.1779-0.4199-0.7687 ( 3978 PWs) bands (ev): -35.1422 -35.1422 -35.1172 -35.1172 -16.1841 -16.1841 -16.1066 -16.1066 -14.8249 -14.8249 -14.7497 -14.7497 -14.6830 -14.6830 -14.5834 -14.5834 -8.7840 -8.7840 -8.6693 -8.6693 2.1185 2.1185 2.4099 2.4099 2.5594 2.5594 2.9776 2.9776 3.0294 3.0294 3.1750 3.1750 6.5051 6.5051 7.5819 7.5819 7.9889 7.9889 9.7799 9.7799 9.9120 9.9120 9.9314 9.9314 k = 0.1838-0.4339-0.7944 ( 3982 PWs) bands (ev): -35.1410 -35.1410 -35.1169 -35.1169 -16.1857 -16.1857 -16.1112 -16.1112 -14.8267 -14.8267 -14.7552 -14.7552 -14.6866 -14.6866 -14.5860 -14.5860 -8.7749 -8.7749 -8.6643 -8.6643 2.1062 2.1062 2.3809 2.3809 2.5656 2.5656 2.9748 2.9748 3.0086 3.0086 3.1586 3.1586 6.5456 6.5456 7.5871 7.5871 7.9494 7.9494 9.7896 9.7896 9.9224 9.9224 9.9422 9.9422 k = 0.1897-0.4479-0.8200 ( 3972 PWs) bands (ev): -35.1397 -35.1397 -35.1165 -35.1165 -16.1872 -16.1872 -16.1157 -16.1157 -14.8285 -14.8285 -14.7606 -14.7606 -14.6898 -14.6898 -14.5886 -14.5886 -8.7659 -8.7659 -8.6595 -8.6595 2.0927 2.0927 2.3534 2.3534 2.5738 2.5738 2.9687 2.9687 2.9891 2.9891 3.1435 3.1435 6.5866 6.5866 7.5929 7.5929 7.9118 7.9118 9.7989 9.7989 9.9318 9.9318 9.9550 9.9550 k = 0.1957-0.4619-0.8456 ( 3974 PWs) bands (ev): -35.1385 -35.1385 -35.1162 -35.1162 -16.1887 -16.1887 -16.1202 -16.1202 -14.8304 -14.8304 -14.7660 -14.7660 -14.6925 -14.6925 -14.5914 -14.5914 -8.7570 -8.7570 -8.6549 -8.6549 2.0788 2.0788 2.3276 2.3276 2.5829 2.5829 2.9576 2.9576 2.9725 2.9725 3.1301 3.1301 6.6278 6.6278 7.5992 7.5992 7.8762 7.8762 9.8081 9.8081 9.9399 9.9399 9.9698 9.9698 k = 0.2016-0.4759-0.8712 ( 3972 PWs) bands (ev): -35.1373 -35.1373 -35.1160 -35.1160 -16.1901 -16.1901 -16.1245 -16.1245 -14.8323 -14.8323 -14.7712 -14.7712 -14.6948 -14.6948 -14.5943 -14.5943 -8.7484 -8.7484 -8.6505 -8.6505 2.0650 2.0650 2.3036 2.3036 2.5918 2.5918 2.9419 2.9419 2.9587 2.9587 3.1187 3.1187 6.6694 6.6694 7.6059 7.6059 7.8426 7.8426 9.8173 9.8173 9.9470 9.9470 9.9863 9.9863 k = 0.2075-0.4899-0.8969 ( 3966 PWs) bands (ev): -35.1361 -35.1361 -35.1157 -35.1157 -16.1914 -16.1914 -16.1287 -16.1287 -14.8342 -14.8342 -14.7764 -14.7764 -14.6967 -14.6967 -14.5973 -14.5973 -8.7400 -8.7400 -8.6462 -8.6462 2.0519 2.0519 2.2814 2.2814 2.5996 2.5996 2.9252 2.9252 2.9442 2.9442 3.1093 3.1093 6.7110 6.7110 7.6129 7.6129 7.8109 7.8109 9.8267 9.8267 9.9534 9.9534 10.0044 10.0044 k = 0.2135-0.5039-0.9225 ( 3966 PWs) bands (ev): -35.1349 -35.1349 -35.1155 -35.1155 -16.1926 -16.1926 -16.1328 -16.1328 -14.8361 -14.8361 -14.7814 -14.7814 -14.6982 -14.6982 -14.6005 -14.6005 -8.7318 -8.7318 -8.6422 -8.6422 2.0399 2.0399 2.2613 2.2613 2.6052 2.6052 2.9094 2.9094 2.9282 2.9282 3.1019 3.1019 6.7528 6.7528 7.6198 7.6198 7.7813 7.7813 9.8365 9.8365 9.9593 9.9593 10.0239 10.0239 k = 0.2194-0.5179-0.9481 ( 3974 PWs) bands (ev): -35.1338 -35.1338 -35.1153 -35.1153 -16.1937 -16.1937 -16.1368 -16.1368 -14.8380 -14.8380 -14.7862 -14.7862 -14.6994 -14.6994 -14.6037 -14.6037 -8.7239 -8.7239 -8.6384 -8.6384 2.0293 2.0293 2.2432 2.2432 2.6080 2.6080 2.8944 2.8944 2.9116 2.9116 3.0961 3.0961 6.7944 6.7944 7.6266 7.6266 7.7537 7.7537 9.8468 9.8468 9.9652 9.9652 10.0449 10.0449 k = 0.2253-0.5319-0.9737 ( 3974 PWs) bands (ev): -35.1326 -35.1326 -35.1152 -35.1152 -16.1947 -16.1947 -16.1405 -16.1405 -14.8399 -14.8399 -14.7907 -14.7907 -14.7003 -14.7003 -14.6070 -14.6070 -8.7162 -8.7162 -8.6349 -8.6349 2.0203 2.0203 2.2273 2.2273 2.6072 2.6072 2.8775 2.8775 2.8980 2.8980 3.0916 3.0916 6.8358 6.8358 7.6331 7.6331 7.7282 7.7282 9.8577 9.8577 9.9710 9.9710 10.0674 10.0674 k = 0.2312-0.5459-0.9994 ( 3972 PWs) bands (ev): -35.1315 -35.1315 -35.1151 -35.1151 -16.1957 -16.1957 -16.1441 -16.1441 -14.8417 -14.8417 -14.7950 -14.7950 -14.7009 -14.7009 -14.6103 -14.6103 -8.7089 -8.7089 -8.6316 -8.6316 2.0130 2.0130 2.2136 2.2136 2.6026 2.6026 2.8567 2.8567 2.8902 2.8902 3.0879 3.0879 6.8767 6.8767 7.6388 7.6388 7.7050 7.7050 9.8694 9.8694 9.9770 9.9770 10.0916 10.0916 k = 0.2372-0.5599-1.0250 ( 3978 PWs) bands (ev): -35.1305 -35.1305 -35.1150 -35.1150 -16.1965 -16.1965 -16.1476 -16.1476 -14.8435 -14.8435 -14.7991 -14.7991 -14.7013 -14.7013 -14.6137 -14.6137 -8.7019 -8.7019 -8.6286 -8.6286 2.0076 2.0076 2.2021 2.2021 2.5940 2.5940 2.8331 2.8331 2.8872 2.8872 3.0849 3.0849 6.9171 6.9171 7.6430 7.6430 7.6847 7.6847 9.8819 9.8819 9.9833 9.9833 10.1175 10.1175 k = 0.2431-0.5739-1.0506 ( 3974 PWs) bands (ev): -35.1294 -35.1294 -35.1149 -35.1149 -16.1973 -16.1973 -16.1508 -16.1508 -14.8453 -14.8453 -14.8028 -14.8028 -14.7014 -14.7014 -14.6171 -14.6171 -8.6952 -8.6952 -8.6258 -8.6258 2.0042 2.0042 2.1929 2.1929 2.5819 2.5819 2.8078 2.8078 2.8877 2.8877 3.0821 3.0821 6.9566 6.9566 7.6432 7.6432 7.6698 7.6698 9.8953 9.8953 9.9901 9.9901 10.1453 10.1453 k = 0.2490-0.5879-1.0762 ( 3976 PWs) bands (ev): -35.1284 -35.1284 -35.1149 -35.1149 -16.1979 -16.1979 -16.1538 -16.1538 -14.8471 -14.8471 -14.8062 -14.8062 -14.7014 -14.7014 -14.6206 -14.6206 -8.6888 -8.6888 -8.6233 -8.6233 2.0026 2.0026 2.1860 2.1860 2.5668 2.5668 2.7815 2.7815 2.8909 2.8909 3.0795 3.0795 6.9950 6.9950 7.6350 7.6350 7.6645 7.6645 9.9099 9.9099 9.9975 9.9975 10.1749 10.1749 k = 0.2550-0.6019-1.1019 ( 3980 PWs) bands (ev): -35.1274 -35.1274 -35.1150 -35.1150 -16.1985 -16.1985 -16.1566 -16.1566 -14.8488 -14.8488 -14.8093 -14.8093 -14.7012 -14.7012 -14.6241 -14.6241 -8.6828 -8.6828 -8.6211 -8.6211 2.0030 2.0030 2.1815 2.1815 2.5495 2.5495 2.7544 2.7544 2.8961 2.8961 3.0770 3.0770 7.0320 7.0320 7.6220 7.6220 7.6651 7.6651 9.9257 9.9257 10.0054 10.0054 10.2063 10.2063 k = 0.2609-0.6159-1.1275 ( 3982 PWs) bands (ev): -35.1265 -35.1265 -35.1150 -35.1150 -16.1990 -16.1990 -16.1592 -16.1592 -14.8505 -14.8505 -14.8120 -14.8120 -14.7008 -14.7008 -14.6275 -14.6275 -8.6771 -8.6771 -8.6192 -8.6192 2.0054 2.0054 2.1793 2.1793 2.5305 2.5305 2.7266 2.7266 2.9027 2.9027 3.0744 3.0744 7.0672 7.0672 7.6094 7.6094 7.6666 7.6666 9.9427 9.9427 10.0140 10.0140 10.2396 10.2396 k = 0.2668-0.6299-1.1531 ( 3978 PWs) bands (ev): -35.1256 -35.1256 -35.1151 -35.1151 -16.1995 -16.1995 -16.1615 -16.1615 -14.8521 -14.8521 -14.8143 -14.8143 -14.7003 -14.7003 -14.6309 -14.6309 -8.6717 -8.6717 -8.6175 -8.6175 2.0096 2.0096 2.1794 2.1794 2.5103 2.5103 2.6984 2.6984 2.9101 2.9101 3.0717 3.0717 7.1005 7.1005 7.5983 7.5983 7.6679 7.6679 9.9611 9.9611 10.0231 10.0231 10.2746 10.2746 k = 0.2728-0.6439-1.1787 ( 3984 PWs) bands (ev): -35.1248 -35.1248 -35.1153 -35.1153 -16.1999 -16.1999 -16.1636 -16.1636 -14.8536 -14.8536 -14.8163 -14.8163 -14.6997 -14.6997 -14.6342 -14.6342 -8.6668 -8.6668 -8.6161 -8.6161 2.0155 2.0155 2.1819 2.1819 2.4896 2.4896 2.6698 2.6698 2.9180 2.9180 3.0687 3.0687 7.1313 7.1313 7.5893 7.5893 7.6683 7.6683 9.9806 9.9806 10.0329 10.0329 10.3111 10.3111 k = 0.2787-0.6579-1.2044 ( 3984 PWs) bands (ev): -35.1240 -35.1240 -35.1154 -35.1154 -16.2002 -16.2002 -16.1655 -16.1655 -14.8551 -14.8551 -14.8180 -14.8180 -14.6990 -14.6990 -14.6375 -14.6375 -8.6622 -8.6622 -8.6150 -8.6150 2.0230 2.0230 2.1867 2.1867 2.4686 2.4686 2.6411 2.6411 2.9261 2.9261 3.0655 3.0655 7.1592 7.1592 7.5826 7.5826 7.6679 7.6679 10.0010 10.0010 10.0435 10.0435 10.3490 10.3490 k = 0.2846-0.6719-1.2300 ( 3982 PWs) bands (ev): -35.1232 -35.1232 -35.1156 -35.1156 -16.2004 -16.2004 -16.1671 -16.1671 -14.8564 -14.8564 -14.8194 -14.8194 -14.6983 -14.6983 -14.6406 -14.6406 -8.6580 -8.6580 -8.6141 -8.6141 2.0320 2.0320 2.1938 2.1938 2.4478 2.4478 2.6122 2.6122 2.9342 2.9342 3.0620 3.0620 7.1840 7.1840 7.5784 7.5784 7.6666 7.6666 10.0216 10.0216 10.0552 10.0552 10.3879 10.3879 k = 0.2905-0.6859-1.2556 ( 3978 PWs) bands (ev): -35.1225 -35.1225 -35.1159 -35.1159 -16.2007 -16.2007 -16.1685 -16.1685 -14.8577 -14.8577 -14.8205 -14.8205 -14.6975 -14.6975 -14.6435 -14.6435 -8.6542 -8.6542 -8.6135 -8.6135 2.0421 2.0421 2.2031 2.2031 2.4277 2.4277 2.5834 2.5834 2.9421 2.9421 3.0581 3.0581 7.2054 7.2054 7.5767 7.5767 7.6645 7.6645 10.0404 10.0404 10.0695 10.0695 10.4275 10.4275 k = 0.2965-0.6999-1.2812 ( 3978 PWs) bands (ev): -35.1218 -35.1218 -35.1161 -35.1161 -16.2009 -16.2009 -16.1697 -16.1697 -14.8588 -14.8588 -14.8214 -14.8214 -14.6967 -14.6967 -14.6462 -14.6462 -8.6508 -8.6508 -8.6132 -8.6132 2.0529 2.0529 2.2146 2.2146 2.4086 2.4086 2.5546 2.5546 2.9497 2.9497 3.0540 3.0540 7.2230 7.2230 7.5774 7.5774 7.6617 7.6617 10.0550 10.0550 10.0882 10.0882 10.4669 10.4669 k = 0.3024-0.7139-1.3069 ( 3976 PWs) bands (ev): -35.1211 -35.1211 -35.1164 -35.1164 -16.2010 -16.2010 -16.1707 -16.1707 -14.8597 -14.8597 -14.8220 -14.8220 -14.6960 -14.6960 -14.6486 -14.6486 -8.6478 -8.6478 -8.6130 -8.6130 2.0640 2.0640 2.2281 2.2281 2.3911 2.3911 2.5261 2.5261 2.9569 2.9569 3.0495 3.0495 7.2370 7.2370 7.5803 7.5803 7.6582 7.6582 10.0653 10.0653 10.1106 10.1106 10.5055 10.5055 k = 0.3083-0.7279-1.3325 ( 3962 PWs) bands (ev): -35.1205 -35.1205 -35.1167 -35.1167 -16.2012 -16.2012 -16.1714 -16.1714 -14.8605 -14.8605 -14.8224 -14.8224 -14.6953 -14.6953 -14.6507 -14.6507 -8.6452 -8.6452 -8.6130 -8.6130 2.0746 2.0746 2.2436 2.2436 2.3760 2.3760 2.4979 2.4979 2.9637 2.9637 3.0447 3.0447 7.2474 7.2474 7.5849 7.5849 7.6543 7.6543 10.0723 10.0723 10.1344 10.1344 10.5422 10.5422 k = 0.3143-0.7418-1.3581 ( 3956 PWs) bands (ev): -35.1199 -35.1199 -35.1171 -35.1171 -16.2013 -16.2013 -16.1719 -16.1719 -14.8612 -14.8612 -14.8227 -14.8227 -14.6948 -14.6948 -14.6524 -14.6524 -8.6431 -8.6431 -8.6131 -8.6131 2.0838 2.0838 2.2608 2.2608 2.3639 2.3639 2.4705 2.4705 2.9699 2.9699 3.0397 3.0397 7.2545 7.2545 7.5905 7.5905 7.6502 7.6502 10.0766 10.0766 10.1578 10.1578 10.5755 10.5755 k = 0.3202-0.7558-1.3837 ( 3956 PWs) bands (ev): -35.1194 -35.1194 -35.1175 -35.1175 -16.2013 -16.2013 -16.1723 -16.1723 -14.8616 -14.8616 -14.8229 -14.8229 -14.6944 -14.6944 -14.6537 -14.6537 -8.6414 -8.6414 -8.6134 -8.6134 2.0905 2.0905 2.2795 2.2795 2.3555 2.3555 2.4444 2.4444 2.9754 2.9754 3.0346 3.0346 7.2588 7.2588 7.5963 7.5963 7.6464 7.6464 10.0783 10.0783 10.1789 10.1789 10.6041 10.6041 k = 0.3261-0.7698-1.4094 ( 3960 PWs) bands (ev): -35.1189 -35.1189 -35.1178 -35.1178 -16.2014 -16.2014 -16.1725 -16.1725 -14.8619 -14.8619 -14.8230 -14.8230 -14.6941 -14.6941 -14.6545 -14.6545 -8.6402 -8.6402 -8.6137 -8.6137 2.0938 2.0938 2.2994 2.2994 2.3507 2.3507 2.4210 2.4210 2.9800 2.9800 3.0295 3.0295 7.2606 7.2606 7.6011 7.6011 7.6434 7.6434 10.0772 10.0772 10.1953 10.1953 10.6267 10.6267 k = 0.3320-0.7838-1.4350 ( 3958 PWs) bands (ev): -35.1185 -35.1185 -35.1183 -35.1183 -16.2014 -16.2014 -16.1726 -16.1726 -14.8620 -14.8620 -14.8230 -14.8230 -14.6940 -14.6940 -14.6549 -14.6549 -8.6395 -8.6395 -8.6140 -8.6140 2.0930 2.0930 2.3198 2.3198 2.3464 2.3464 2.4048 2.4048 2.9835 2.9835 3.0249 3.0249 7.2603 7.2603 7.6037 7.6037 7.6419 7.6419 10.0733 10.0733 10.2041 10.2041 10.6437 10.6437 k = 0.3380-0.7978-1.4606 ( 3958 PWs) bands (ev): -35.1187 -35.1187 -35.1180 -35.1180 -16.2014 -16.2014 -16.1726 -16.1726 -14.8620 -14.8620 -14.8230 -14.8230 -14.6940 -14.6940 -14.6548 -14.6548 -8.6393 -8.6393 -8.6144 -8.6144 2.0878 2.0878 2.3304 2.3304 2.3455 2.3455 2.4028 2.4028 2.9852 2.9852 3.0212 3.0212 7.2583 7.2583 7.6035 7.6035 7.6425 7.6425 10.0669 10.0669 10.2018 10.2018 10.6573 10.6573 k = 0.6620-0.6963-1.4004 ( 3958 PWs) bands (ev): -35.1187 -35.1187 -35.1180 -35.1180 -16.2014 -16.2014 -16.1726 -16.1726 -14.8620 -14.8620 -14.8230 -14.8230 -14.6940 -14.6940 -14.6548 -14.6548 -8.6393 -8.6393 -8.6144 -8.6144 2.0878 2.0878 2.3304 2.3304 2.3455 2.3455 2.4028 2.4028 2.9852 2.9852 3.0212 3.0212 7.2583 7.2583 7.6035 7.6035 7.6425 7.6425 10.0669 10.0669 10.2018 10.2018 10.6573 10.6573 k = 0.6562-0.6678-1.4004 ( 3960 PWs) bands (ev): -35.1191 -35.1191 -35.1177 -35.1177 -16.2014 -16.2014 -16.1725 -16.1725 -14.8618 -14.8618 -14.8230 -14.8230 -14.6942 -14.6942 -14.6542 -14.6542 -8.6396 -8.6396 -8.6147 -8.6147 2.0791 2.0791 2.3131 2.3131 2.3657 2.3657 2.4144 2.4144 2.9849 2.9849 3.0192 3.0192 7.2550 7.2550 7.6007 7.6007 7.6443 7.6443 10.0584 10.0584 10.1860 10.1860 10.6712 10.6712 k = 0.6504-0.6393-1.4004 ( 3952 PWs) bands (ev): -35.1196 -35.1196 -35.1173 -35.1173 -16.2013 -16.2013 -16.1723 -16.1723 -14.8615 -14.8615 -14.8230 -14.8230 -14.6943 -14.6943 -14.6532 -14.6532 -8.6403 -8.6403 -8.6150 -8.6150 2.0675 2.0675 2.2908 2.2908 2.3890 2.3890 2.4340 2.4340 2.9823 2.9823 3.0188 3.0188 7.2505 7.2505 7.5965 7.5965 7.6463 7.6463 10.0482 10.0482 10.1558 10.1558 10.6896 10.6896 k = 0.6447-0.6108-1.4004 ( 3954 PWs) bands (ev): -35.1200 -35.1200 -35.1170 -35.1170 -16.2012 -16.2012 -16.1720 -16.1720 -14.8610 -14.8610 -14.8231 -14.8231 -14.6945 -14.6945 -14.6518 -14.6518 -8.6414 -8.6414 -8.6153 -8.6153 2.0537 2.0537 2.2674 2.2674 2.4142 2.4142 2.4578 2.4578 2.9781 2.9781 3.0198 3.0198 7.2450 7.2450 7.5913 7.5913 7.6479 7.6479 10.0365 10.0365 10.1126 10.1126 10.7145 10.7145 k = 0.6389-0.5823-1.4004 ( 3946 PWs) bands (ev): -35.1205 -35.1205 -35.1167 -35.1167 -16.2011 -16.2011 -16.1717 -16.1717 -14.8604 -14.8604 -14.8232 -14.8232 -14.6947 -14.6947 -14.6501 -14.6501 -8.6429 -8.6429 -8.6156 -8.6156 2.0385 2.0385 2.2437 2.2437 2.4412 2.4412 2.4840 2.4840 2.9730 2.9730 3.0215 3.0215 7.2385 7.2385 7.5857 7.5857 7.6484 7.6484 10.0220 10.0220 10.0612 10.0612 10.7460 10.7460 k = 0.6331-0.5538-1.4004 ( 3952 PWs) bands (ev): -35.1210 -35.1210 -35.1165 -35.1165 -16.2009 -16.2009 -16.1714 -16.1714 -14.8598 -14.8598 -14.8234 -14.8234 -14.6947 -14.6947 -14.6482 -14.6482 -8.6446 -8.6446 -8.6159 -8.6159 2.0223 2.0223 2.2203 2.2203 2.4697 2.4697 2.5115 2.5115 2.9676 2.9676 3.0235 3.0235 7.2313 7.2313 7.5799 7.5799 7.6478 7.6478 9.9858 9.9858 10.0240 10.0240 10.7834 10.7834 k = 0.6273-0.5253-1.4004 ( 3952 PWs) bands (ev): -35.1215 -35.1215 -35.1163 -35.1163 -16.2007 -16.2007 -16.1710 -16.1710 -14.8591 -14.8591 -14.8237 -14.8237 -14.6947 -14.6947 -14.6460 -14.6460 -8.6466 -8.6466 -8.6162 -8.6162 2.0054 2.0054 2.1972 2.1972 2.4995 2.4995 2.5395 2.5395 2.9626 2.9626 3.0256 3.0256 7.2232 7.2232 7.5741 7.5741 7.6459 7.6459 9.9222 9.9222 10.0102 10.0102 10.8256 10.8256 k = 0.6215-0.4968-1.4004 ( 3964 PWs) bands (ev): -35.1219 -35.1219 -35.1161 -35.1161 -16.2005 -16.2005 -16.1707 -16.1707 -14.8583 -14.8583 -14.8240 -14.8240 -14.6944 -14.6944 -14.6436 -14.6436 -8.6489 -8.6489 -8.6166 -8.6166 1.9883 1.9883 2.1747 2.1747 2.5302 2.5302 2.5674 2.5674 2.9584 2.9584 3.0276 3.0276 7.2144 7.2144 7.5683 7.5683 7.6430 7.6430 9.8526 9.8526 10.0007 10.0007 10.8717 10.8717 k = 0.6157-0.4683-1.4004 ( 3974 PWs) bands (ev): -35.1224 -35.1224 -35.1159 -35.1159 -16.2003 -16.2003 -16.1703 -16.1703 -14.8575 -14.8575 -14.8244 -14.8244 -14.6941 -14.6941 -14.6410 -14.6410 -8.6512 -8.6512 -8.6170 -8.6170 1.9712 1.9712 2.1529 2.1529 2.5615 2.5615 2.5944 2.5944 2.9556 2.9556 3.0296 3.0296 7.2049 7.2049 7.5626 7.5626 7.6390 7.6390 9.7811 9.7811 9.9936 9.9936 10.9209 10.9209 k = 0.6099-0.4399-1.4004 ( 3972 PWs) bands (ev): -35.1229 -35.1229 -35.1157 -35.1157 -16.2000 -16.2000 -16.1700 -16.1700 -14.8567 -14.8567 -14.8249 -14.8249 -14.6936 -14.6936 -14.6384 -14.6384 -8.6537 -8.6537 -8.6174 -8.6174 1.9542 1.9542 2.1318 2.1318 2.5932 2.5932 2.6200 2.6200 2.9548 2.9548 3.0314 3.0314 7.1948 7.1948 7.5570 7.5570 7.6343 7.6343 9.7092 9.7092 9.9887 9.9887 10.9727 10.9727 k = 0.6042-0.4114-1.4004 ( 3978 PWs) bands (ev): -35.1234 -35.1234 -35.1156 -35.1156 -16.1998 -16.1998 -16.1696 -16.1696 -14.8559 -14.8559 -14.8254 -14.8254 -14.6929 -14.6929 -14.6356 -14.6356 -8.6563 -8.6563 -8.6180 -8.6180 1.9374 1.9374 2.1114 2.1114 2.6245 2.6245 2.6435 2.6435 2.9565 2.9565 3.0332 3.0332 7.1841 7.1841 7.5516 7.5516 7.6290 7.6290 9.6379 9.6379 9.9860 9.9860 11.0268 11.0268 k = 0.5984-0.3829-1.4004 ( 3980 PWs) bands (ev): -35.1238 -35.1238 -35.1155 -35.1155 -16.1995 -16.1995 -16.1693 -16.1693 -14.8551 -14.8551 -14.8260 -14.8260 -14.6920 -14.6920 -14.6328 -14.6328 -8.6589 -8.6589 -8.6185 -8.6185 1.9211 1.9211 2.0918 2.0918 2.6537 2.6537 2.6658 2.6658 2.9615 2.9615 3.0350 3.0350 7.1728 7.1728 7.5463 7.5463 7.6232 7.6232 9.5678 9.5678 9.9854 9.9854 11.0827 11.0827 k = 0.5926-0.3544-1.4004 ( 3972 PWs) bands (ev): -35.1242 -35.1242 -35.1154 -35.1154 -16.1992 -16.1992 -16.1690 -16.1690 -14.8543 -14.8543 -14.8266 -14.8266 -14.6910 -14.6910 -14.6299 -14.6299 -8.6616 -8.6616 -8.6191 -8.6191 1.9052 1.9052 2.0731 2.0731 2.6744 2.6744 2.6925 2.6925 2.9698 2.9698 3.0369 3.0369 7.1611 7.1611 7.5412 7.5412 7.6173 7.6173 9.4996 9.4996 9.9869 9.9869 11.1403 11.1403 k = 0.5868-0.3259-1.4004 ( 3962 PWs) bands (ev): -35.1247 -35.1247 -35.1153 -35.1153 -16.1989 -16.1989 -16.1687 -16.1687 -14.8536 -14.8536 -14.8272 -14.8272 -14.6899 -14.6899 -14.6270 -14.6270 -8.6642 -8.6642 -8.6198 -8.6198 1.8899 1.8899 2.0553 2.0553 2.6871 2.6871 2.7224 2.7224 2.9814 2.9814 3.0393 3.0393 7.1491 7.1491 7.5362 7.5362 7.6113 7.6113 9.4336 9.4336 9.9904 9.9904 11.1994 11.1994 k = 0.5810-0.2974-1.4004 ( 3964 PWs) bands (ev): -35.1251 -35.1251 -35.1152 -35.1152 -16.1986 -16.1986 -16.1685 -16.1685 -14.8530 -14.8530 -14.8278 -14.8278 -14.6888 -14.6888 -14.6242 -14.6242 -8.6668 -8.6668 -8.6205 -8.6205 1.8753 1.8753 2.0385 2.0385 2.6951 2.6951 2.7523 2.7523 2.9952 2.9952 3.0431 3.0431 7.1368 7.1368 7.5314 7.5314 7.6055 7.6055 9.3702 9.3702 9.9955 9.9955 11.2598 11.2598 k = 0.5752-0.2689-1.4004 ( 3962 PWs) bands (ev): -35.1255 -35.1255 -35.1152 -35.1152 -16.1983 -16.1983 -16.1683 -16.1683 -14.8525 -14.8525 -14.8283 -14.8283 -14.6875 -14.6875 -14.6214 -14.6214 -8.6693 -8.6693 -8.6211 -8.6211 1.8613 1.8613 2.0226 2.0226 2.6994 2.6994 2.7815 2.7815 3.0087 3.0087 3.0499 3.0499 7.1244 7.1244 7.5268 7.5268 7.5999 7.5999 9.3097 9.3097 10.0021 10.0021 11.3214 11.3214 k = 0.5694-0.2404-1.4004 ( 3970 PWs) bands (ev): -35.1259 -35.1259 -35.1151 -35.1151 -16.1981 -16.1981 -16.1681 -16.1681 -14.8521 -14.8521 -14.8288 -14.8288 -14.6862 -14.6862 -14.6187 -14.6187 -8.6718 -8.6718 -8.6218 -8.6218 1.8482 1.8482 2.0077 2.0077 2.7008 2.7008 2.8095 2.8095 3.0185 3.0185 3.0623 3.0623 7.1121 7.1121 7.5224 7.5224 7.5947 7.5947 9.2524 9.2524 10.0099 10.0099 11.3843 11.3843 k = 0.5637-0.2119-1.4004 ( 3978 PWs) bands (ev): -35.1262 -35.1262 -35.1151 -35.1151 -16.1978 -16.1978 -16.1679 -16.1679 -14.8517 -14.8517 -14.8292 -14.8292 -14.6849 -14.6849 -14.6161 -14.6161 -8.6741 -8.6741 -8.6225 -8.6225 1.8359 1.8359 1.9939 1.9939 2.7001 2.7001 2.8363 2.8363 3.0239 3.0239 3.0802 3.0802 7.1001 7.1001 7.5182 7.5182 7.5899 7.5899 9.1986 9.1986 10.0187 10.0187 11.4484 11.4484 k = 0.5579-0.1834-1.4004 ( 3978 PWs) bands (ev): -35.1265 -35.1265 -35.1151 -35.1151 -16.1975 -16.1975 -16.1678 -16.1678 -14.8515 -14.8515 -14.8296 -14.8296 -14.6836 -14.6836 -14.6136 -14.6136 -8.6763 -8.6763 -8.6232 -8.6232 1.8245 1.8245 1.9812 1.9812 2.6979 2.6979 2.8614 2.8614 3.0267 3.0267 3.1011 3.1011 7.0884 7.0884 7.5141 7.5141 7.5855 7.5855 9.1485 9.1485 10.0280 10.0280 11.5137 11.5137 k = 0.5521-0.1549-1.4004 ( 3976 PWs) bands (ev): -35.1268 -35.1268 -35.1150 -35.1150 -16.1973 -16.1973 -16.1676 -16.1676 -14.8514 -14.8514 -14.8299 -14.8299 -14.6824 -14.6824 -14.6113 -14.6113 -8.6784 -8.6784 -8.6238 -8.6238 1.8140 1.8140 1.9696 1.9696 2.6948 2.6948 2.8848 2.8848 3.0281 3.0281 3.1228 3.1228 7.0772 7.0772 7.5103 7.5103 7.5816 7.5816 9.1024 9.1024 10.0376 10.0376 11.5802 11.5802 k = 0.5463-0.1264-1.4004 ( 3980 PWs) bands (ev): -35.1271 -35.1271 -35.1150 -35.1150 -16.1971 -16.1971 -16.1675 -16.1675 -14.8513 -14.8513 -14.8301 -14.8301 -14.6812 -14.6812 -14.6091 -14.6091 -8.6803 -8.6803 -8.6244 -8.6244 1.8045 1.8045 1.9591 1.9591 2.6912 2.6912 2.9062 2.9062 3.0290 3.0290 3.1441 3.1441 7.0668 7.0668 7.5068 7.5068 7.5783 7.5783 9.0604 9.0604 10.0472 10.0472 11.6479 11.6479 k = 0.5405-0.0979-1.4004 ( 3978 PWs) bands (ev): -35.1274 -35.1274 -35.1150 -35.1150 -16.1969 -16.1969 -16.1674 -16.1674 -14.8513 -14.8513 -14.8302 -14.8302 -14.6800 -14.6800 -14.6072 -14.6072 -8.6820 -8.6820 -8.6249 -8.6249 1.7960 1.7960 1.9498 1.9498 2.6874 2.6874 2.9255 2.9255 3.0295 3.0295 3.1642 3.1642 7.0573 7.0573 7.5035 7.5035 7.5754 7.5754 9.0228 9.0228 10.0565 10.0565 11.7168 11.7168 k = 0.5347-0.0694-1.4004 ( 3978 PWs) bands (ev): -35.1276 -35.1276 -35.1150 -35.1150 -16.1967 -16.1967 -16.1674 -16.1674 -14.8514 -14.8514 -14.8303 -14.8303 -14.6790 -14.6790 -14.6054 -14.6054 -8.6835 -8.6835 -8.6254 -8.6254 1.7886 1.7886 1.9416 1.9416 2.6837 2.6837 2.9425 2.9425 3.0298 3.0298 3.1826 3.1826 7.0487 7.0487 7.5006 7.5006 7.5729 7.5729 8.9897 8.9897 10.0653 10.0653 11.7867 11.7867 k = 0.5289-0.0409-1.4004 ( 3982 PWs) bands (ev): -35.1278 -35.1278 -35.1150 -35.1150 -16.1965 -16.1965 -16.1673 -16.1673 -14.8515 -14.8515 -14.8304 -14.8304 -14.6781 -14.6781 -14.6039 -14.6039 -8.6848 -8.6848 -8.6259 -8.6259 1.7823 1.7823 1.9347 1.9347 2.6803 2.6803 2.9571 2.9571 3.0301 3.0301 3.1989 3.1989 7.0413 7.0413 7.4980 7.4980 7.5709 7.5709 8.9614 8.9614 10.0731 10.0731 11.8574 11.8574 k = 0.5231-0.0124-1.4004 ( 3976 PWs) bands (ev): -35.1279 -35.1279 -35.1150 -35.1150 -16.1964 -16.1964 -16.1673 -16.1673 -14.8516 -14.8516 -14.8304 -14.8304 -14.6774 -14.6774 -14.6027 -14.6027 -8.6859 -8.6859 -8.6262 -8.6262 1.7771 1.7771 1.9291 1.9291 2.6773 2.6773 2.9691 2.9691 3.0303 3.0303 3.2126 3.2126 7.0350 7.0350 7.4959 7.4959 7.5693 7.5693 8.9381 8.9381 10.0799 10.0799 11.9284 11.9284 k = 0.5174 0.0161-1.4004 ( 3972 PWs) bands (ev): -35.1280 -35.1280 -35.1150 -35.1150 -16.1963 -16.1963 -16.1672 -16.1672 -14.8517 -14.8517 -14.8304 -14.8304 -14.6768 -14.6768 -14.6017 -14.6017 -8.6867 -8.6867 -8.6265 -8.6265 1.7730 1.7730 1.9246 1.9246 2.6749 2.6749 2.9785 2.9785 3.0305 3.0305 3.2235 3.2235 7.0301 7.0301 7.4942 7.4942 7.5681 7.5681 8.9198 8.9198 10.0854 10.0854 11.9975 11.9975 k = 0.5116 0.0445-1.4004 ( 3974 PWs) bands (ev): -35.1281 -35.1281 -35.1150 -35.1150 -16.1962 -16.1962 -16.1672 -16.1672 -14.8517 -14.8517 -14.8304 -14.8304 -14.6763 -14.6763 -14.6010 -14.6010 -8.6874 -8.6874 -8.6267 -8.6267 1.7701 1.7701 1.9215 1.9215 2.6731 2.6731 2.9852 2.9852 3.0307 3.0307 3.2315 3.2315 7.0265 7.0265 7.4929 7.4929 7.5672 7.5672 8.9066 8.9066 10.0895 10.0895 12.0575 12.0575 k = 0.5058 0.0730-1.4004 ( 3978 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1672 -16.1672 -14.8518 -14.8518 -14.8304 -14.8304 -14.6761 -14.6761 -14.6006 -14.6006 -8.6877 -8.6877 -8.6268 -8.6268 1.7683 1.7683 1.9195 1.9195 2.6720 2.6720 2.9892 2.9892 3.0308 3.0308 3.2363 3.2363 7.0243 7.0243 7.4921 7.4921 7.5667 7.5667 8.8986 8.8986 10.0920 10.0920 12.0995 12.0995 k = 0.5000 0.1015-1.4004 ( 3974 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1672 -16.1672 -14.8518 -14.8518 -14.8304 -14.8304 -14.6760 -14.6760 -14.6004 -14.6004 -8.6879 -8.6879 -8.6269 -8.6269 1.7677 1.7677 1.9189 1.9189 2.6716 2.6716 2.9906 2.9906 3.0309 3.0309 3.2380 3.2380 7.0236 7.0236 7.4919 7.4919 7.5666 7.5666 8.8960 8.8960 10.0928 10.0928 12.1228 12.1228 k = 0.5000 0.1015-1.4004 ( 3974 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1672 -16.1672 -14.8518 -14.8518 -14.8304 -14.8304 -14.6760 -14.6760 -14.6004 -14.6004 -8.6879 -8.6879 -8.6269 -8.6269 1.7677 1.7677 1.9189 1.9189 2.6716 2.6716 2.9906 2.9906 3.0309 3.0309 3.2380 3.2380 7.0236 7.0236 7.4919 7.4919 7.5666 7.5666 8.8960 8.8960 10.0928 10.0928 12.1228 12.1228 k = 0.5270 0.1070-1.3903 ( 3975 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1672 -16.1672 -14.8518 -14.8518 -14.8304 -14.8304 -14.6760 -14.6760 -14.6004 -14.6004 -8.6878 -8.6878 -8.6269 -8.6269 1.7676 1.7676 1.9190 1.9190 2.6718 2.6718 2.9906 2.9906 3.0311 3.0311 3.2378 3.2378 7.0239 7.0239 7.4917 7.4917 7.5669 7.5669 8.8951 8.8951 10.0932 10.0932 12.1203 12.1203 k = 0.5540 0.1125-1.3803 ( 3975 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1671 -16.1671 -14.8518 -14.8518 -14.8304 -14.8304 -14.6760 -14.6760 -14.6004 -14.6004 -8.6878 -8.6878 -8.6270 -8.6270 1.7671 1.7671 1.9193 1.9193 2.6723 2.6723 2.9907 2.9907 3.0317 3.0317 3.2372 3.2372 7.0249 7.0249 7.4910 7.4910 7.5679 7.5679 8.8923 8.8923 10.0942 10.0942 12.1056 12.1056 k = 0.5810 0.1180-1.3703 ( 3979 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1671 -16.1671 -14.8518 -14.8518 -14.8303 -14.8303 -14.6760 -14.6760 -14.6004 -14.6004 -8.6877 -8.6877 -8.6273 -8.6273 1.7663 1.7663 1.9197 1.9197 2.6731 2.6731 2.9909 2.9909 3.0328 3.0328 3.2362 3.2362 7.0264 7.0264 7.4899 7.4899 7.5697 7.5697 8.8879 8.8879 10.0960 10.0960 12.0799 12.0799 k = 0.6080 0.1235-1.3602 ( 3980 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1670 -16.1670 -14.8518 -14.8518 -14.8301 -14.8301 -14.6761 -14.6761 -14.6003 -14.6003 -8.6875 -8.6875 -8.6275 -8.6275 1.7652 1.7652 1.9203 1.9203 2.6741 2.6741 2.9912 2.9912 3.0342 3.0342 3.2348 3.2348 7.0285 7.0285 7.4884 7.4884 7.5720 7.5720 8.8818 8.8818 10.0984 10.0984 12.0491 12.0491 k = 0.6350 0.1290-1.3502 ( 3986 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1669 -16.1669 -14.8518 -14.8518 -14.8300 -14.8300 -14.6761 -14.6761 -14.6003 -14.6003 -8.6874 -8.6874 -8.6279 -8.6279 1.7640 1.7640 1.9210 1.9210 2.6753 2.6753 2.9916 2.9916 3.0360 3.0360 3.2332 3.2332 7.0310 7.0310 7.4864 7.4864 7.5750 7.5750 8.8744 8.8744 10.1012 10.1012 12.0154 12.0154 k = 0.6620 0.1344-1.3401 ( 3982 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1667 -16.1667 -14.8518 -14.8518 -14.8297 -14.8297 -14.6762 -14.6762 -14.6003 -14.6003 -8.6872 -8.6872 -8.6283 -8.6283 1.7628 1.7628 1.9218 1.9218 2.6766 2.6766 2.9920 2.9920 3.0381 3.0381 3.2313 3.2313 7.0341 7.0341 7.4839 7.4839 7.5786 7.5786 8.8659 8.8659 10.1045 10.1045 11.9800 11.9800 k = 0.6620 0.1344-1.3401 ( 3982 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1667 -16.1667 -14.8518 -14.8518 -14.8297 -14.8297 -14.6762 -14.6762 -14.6003 -14.6003 -8.6872 -8.6872 -8.6283 -8.6283 1.7628 1.7628 1.9218 1.9218 2.6766 2.6766 2.9920 2.9920 3.0381 3.0381 3.2313 3.2313 7.0341 7.0341 7.4839 7.4839 7.5786 7.5786 8.8659 8.8659 10.1045 10.1045 11.9800 11.9800 k = 0.6586 0.1337-1.3103 ( 3976 PWs) bands (ev): -35.1285 -35.1285 -35.1150 -35.1150 -16.1962 -16.1962 -16.1658 -16.1658 -14.8520 -14.8520 -14.8283 -14.8283 -14.6765 -14.6765 -14.5998 -14.5998 -8.6885 -8.6885 -8.6287 -8.6287 1.7643 1.7643 1.9279 1.9279 2.6766 2.6766 2.9915 2.9915 3.0399 3.0399 3.2316 3.2316 7.0169 7.0169 7.4947 7.4947 7.5831 7.5831 8.8664 8.8664 10.1037 10.1037 11.9845 11.9845 k = 0.6551 0.1330-1.2806 ( 3974 PWs) bands (ev): -35.1288 -35.1288 -35.1150 -35.1150 -16.1962 -16.1962 -16.1644 -16.1644 -14.8521 -14.8521 -14.8262 -14.8262 -14.6770 -14.6770 -14.5991 -14.5991 -8.6907 -8.6907 -8.6292 -8.6292 1.7683 1.7683 1.9359 1.9359 2.6757 2.6757 2.9912 2.9912 3.0424 3.0424 3.2325 3.2325 6.9947 6.9947 7.5025 7.5025 7.5943 7.5943 8.8691 8.8691 10.1019 10.1019 11.9519 11.9519 k = 0.6517 0.1323-1.2508 ( 3979 PWs) bands (ev): -35.1292 -35.1292 -35.1150 -35.1150 -16.1962 -16.1962 -16.1625 -16.1625 -14.8521 -14.8521 -14.8234 -14.8234 -14.6777 -14.6777 -14.5982 -14.5982 -8.6935 -8.6935 -8.6298 -8.6298 1.7745 1.7745 1.9458 1.9458 2.6738 2.6738 2.9912 2.9912 3.0456 3.0456 3.2339 3.2339 6.9682 6.9682 7.5083 7.5083 7.6107 7.6107 8.8740 8.8740 10.0990 10.0990 11.8825 11.8825 k = 0.6482 0.1316-1.2210 ( 3982 PWs) bands (ev): -35.1297 -35.1297 -35.1150 -35.1150 -16.1962 -16.1962 -16.1603 -16.1603 -14.8519 -14.8519 -14.8202 -14.8202 -14.6785 -14.6785 -14.5971 -14.5971 -8.6971 -8.6971 -8.6307 -8.6307 1.7830 1.7830 1.9575 1.9575 2.6711 2.6711 2.9913 2.9913 3.0495 3.0495 3.2358 3.2358 6.9379 6.9379 7.5137 7.5137 7.6302 7.6302 8.8810 8.8810 10.0949 10.0949 11.7948 11.7948 k = 0.6448 0.1309-1.1912 ( 3976 PWs) bands (ev): -35.1303 -35.1303 -35.1150 -35.1150 -16.1960 -16.1960 -16.1577 -16.1577 -14.8516 -14.8516 -14.8164 -14.8164 -14.6793 -14.6793 -14.5958 -14.5958 -8.7013 -8.7013 -8.6318 -8.6318 1.7939 1.7939 1.9710 1.9710 2.6677 2.6677 2.9916 2.9916 3.0540 3.0540 3.2381 3.2381 6.9045 6.9045 7.5198 7.5198 7.6515 7.6515 8.8900 8.8900 10.0897 10.0897 11.7003 11.7003 k = 0.6413 0.1302-1.1614 ( 3982 PWs) bands (ev): -35.1310 -35.1310 -35.1151 -35.1151 -16.1958 -16.1958 -16.1547 -16.1547 -14.8511 -14.8511 -14.8123 -14.8123 -14.6802 -14.6802 -14.5944 -14.5944 -8.7061 -8.7061 -8.6332 -8.6332 1.8069 1.8069 1.9861 1.9861 2.6636 2.6636 2.9919 2.9919 3.0591 3.0591 3.2409 3.2409 6.8687 6.8687 7.5269 7.5269 7.6737 7.6737 8.9010 8.9010 10.0833 10.0833 11.6036 11.6036 k = 0.6379 0.1295-1.1316 ( 3977 PWs) bands (ev): -35.1318 -35.1318 -35.1151 -35.1151 -16.1954 -16.1954 -16.1515 -16.1515 -14.8503 -14.8503 -14.8078 -14.8078 -14.6811 -14.6811 -14.5928 -14.5928 -8.7114 -8.7114 -8.6348 -8.6348 1.8221 1.8221 2.0028 2.0028 2.6590 2.6590 2.9921 2.9921 3.0649 3.0649 3.2442 3.2442 6.8309 6.8309 7.5350 7.5350 7.6967 7.6967 8.9139 8.9139 10.0756 10.0756 11.5065 11.5065 k = 0.6344 0.1288-1.1018 ( 3975 PWs) bands (ev): -35.1326 -35.1326 -35.1152 -35.1152 -16.1948 -16.1948 -16.1480 -16.1480 -14.8492 -14.8492 -14.8029 -14.8029 -14.6819 -14.6819 -14.5912 -14.5912 -8.7172 -8.7172 -8.6368 -8.6368 1.8394 1.8394 2.0209 2.0209 2.6542 2.6542 2.9921 2.9921 3.0712 3.0712 3.2479 3.2479 6.7917 6.7917 7.5441 7.5441 7.7204 7.7204 8.9286 8.9286 10.0665 10.0665 11.4100 11.4100 k = 0.6310 0.1281-1.0720 ( 3968 PWs) bands (ev): -35.1335 -35.1335 -35.1153 -35.1153 -16.1942 -16.1942 -16.1443 -16.1443 -14.8479 -14.8479 -14.7978 -14.7978 -14.6826 -14.6826 -14.5895 -14.5895 -8.7235 -8.7235 -8.6391 -8.6391 1.8586 1.8586 2.0404 2.0404 2.6492 2.6492 2.9918 2.9918 3.0780 3.0780 3.2520 3.2520 6.7517 6.7517 7.5538 7.5538 7.7447 7.7447 8.9451 8.9451 10.0560 10.0560 11.3148 11.3148 k = 0.6275 0.1274-1.0422 ( 3967 PWs) bands (ev): -35.1344 -35.1344 -35.1155 -35.1155 -16.1934 -16.1934 -16.1403 -16.1403 -14.8464 -14.8464 -14.7924 -14.7924 -14.6832 -14.6832 -14.5877 -14.5877 -8.7302 -8.7302 -8.6417 -8.6417 1.8796 1.8796 2.0610 2.0610 2.6444 2.6444 2.9911 2.9911 3.0854 3.0854 3.2565 3.2565 6.7111 6.7111 7.5639 7.5639 7.7700 7.7700 8.9632 8.9632 10.0440 10.0440 11.2211 11.2211 k = 0.6241 0.1267-1.0124 ( 3966 PWs) bands (ev): -35.1354 -35.1354 -35.1156 -35.1156 -16.1925 -16.1925 -16.1362 -16.1362 -14.8447 -14.8447 -14.7868 -14.7868 -14.6836 -14.6836 -14.5860 -14.5860 -8.7372 -8.7372 -8.6447 -8.6447 1.9022 1.9022 2.0826 2.0826 2.6399 2.6399 2.9899 2.9899 3.0933 3.0933 3.2613 3.2613 6.6704 6.6704 7.5741 7.5741 7.7965 7.7965 8.9829 8.9829 10.0304 10.0304 11.1293 11.1293 k = 0.6207 0.1260-0.9826 ( 3971 PWs) bands (ev): -35.1365 -35.1365 -35.1158 -35.1158 -16.1914 -16.1914 -16.1319 -16.1319 -14.8429 -14.8429 -14.7809 -14.7809 -14.6837 -14.6837 -14.5842 -14.5842 -8.7446 -8.7446 -8.6480 -8.6480 1.9263 1.9263 2.1050 2.1050 2.6360 2.6360 2.9881 2.9881 3.1017 3.1017 3.2665 3.2665 6.6299 6.6299 7.5840 7.5840 7.8243 7.8243 9.0042 9.0042 10.0153 10.0153 11.0396 11.0396 k = 0.6172 0.1253-0.9528 ( 3975 PWs) bands (ev): -35.1376 -35.1376 -35.1161 -35.1161 -16.1902 -16.1902 -16.1275 -16.1275 -14.8408 -14.8408 -14.7750 -14.7750 -14.6835 -14.6835 -14.5824 -14.5824 -8.7523 -8.7523 -8.6516 -8.6516 1.9514 1.9514 2.1281 2.1281 2.6333 2.6333 2.9855 2.9855 3.1105 3.1105 3.2721 3.2721 6.5900 6.5900 7.5935 7.5935 7.8537 7.8537 9.0270 9.0270 9.9985 9.9985 10.9523 10.9523 k = 0.6138 0.1246-0.9230 ( 3973 PWs) bands (ev): -35.1387 -35.1387 -35.1163 -35.1163 -16.1889 -16.1889 -16.1230 -16.1230 -14.8386 -14.8386 -14.7689 -14.7689 -14.6830 -14.6830 -14.5807 -14.5807 -8.7602 -8.7602 -8.6556 -8.6556 1.9772 1.9772 2.1516 2.1516 2.6320 2.6320 2.9823 2.9823 3.1197 3.1197 3.2779 3.2779 6.5509 6.5509 7.6024 7.6024 7.8848 7.8848 9.0513 9.0513 9.9802 9.9802 10.8674 10.8674 k = 0.6103 0.1239-0.8932 ( 3982 PWs) bands (ev): -35.1399 -35.1399 -35.1166 -35.1166 -16.1876 -16.1876 -16.1184 -16.1184 -14.8363 -14.8363 -14.7627 -14.7627 -14.6820 -14.6820 -14.5790 -14.5790 -8.7684 -8.7684 -8.6599 -8.6599 2.0033 2.0033 2.1756 2.1756 2.6326 2.6326 2.9782 2.9782 3.1293 3.1293 3.2840 3.2840 6.5128 6.5128 7.6105 7.6105 7.9178 7.9178 9.0770 9.0770 9.9602 9.9602 10.7852 10.7852 k = 0.6069 0.1232-0.8634 ( 3986 PWs) bands (ev): -35.1411 -35.1411 -35.1169 -35.1169 -16.1861 -16.1861 -16.1137 -16.1137 -14.8340 -14.8340 -14.7566 -14.7566 -14.6806 -14.6806 -14.5773 -14.5773 -8.7767 -8.7767 -8.6645 -8.6645 2.0288 2.0288 2.1999 2.1999 2.6357 2.6357 2.9733 2.9733 3.1393 3.1393 3.2903 3.2903 6.4760 6.4760 7.6177 7.6177 7.9528 7.9528 9.1041 9.1041 9.9388 9.9388 10.7057 10.7057 k = 0.6034 0.1225-0.8336 ( 3987 PWs) bands (ev): -35.1423 -35.1423 -35.1172 -35.1172 -16.1845 -16.1845 -16.1089 -16.1089 -14.8316 -14.8316 -14.7505 -14.7505 -14.6786 -14.6786 -14.5757 -14.5757 -8.7851 -8.7851 -8.6693 -8.6693 2.0530 2.0530 2.2248 2.2248 2.6417 2.6417 2.9677 2.9677 3.1496 3.1496 3.2969 3.2969 6.4407 6.4407 7.6239 7.6239 7.9898 7.9898 9.1326 9.1326 9.9159 9.9159 10.6292 10.6292 k = 0.6000 0.1218-0.8038 ( 3981 PWs) bands (ev): -35.1435 -35.1435 -35.1176 -35.1176 -16.1829 -16.1829 -16.1041 -16.1041 -14.8292 -14.8292 -14.7444 -14.7444 -14.6760 -14.6760 -14.5742 -14.5742 -8.7937 -8.7937 -8.6745 -8.6745 2.0749 2.0749 2.2505 2.2505 2.6511 2.6511 2.9614 2.9614 3.1601 3.1601 3.3036 3.3036 6.4068 6.4068 7.6292 7.6292 8.0288 8.0288 9.1623 9.1623 9.8916 9.8916 10.5557 10.5557 k = 0.5965 0.1211-0.7740 ( 3977 PWs) bands (ev): -35.1447 -35.1447 -35.1180 -35.1180 -16.1812 -16.1812 -16.0993 -16.0993 -14.8268 -14.8268 -14.7385 -14.7385 -14.6729 -14.6729 -14.5727 -14.5727 -8.8024 -8.8024 -8.6799 -8.6799 2.0935 2.0935 2.2773 2.2773 2.6641 2.6641 2.9545 2.9545 3.1709 3.1709 3.3105 3.3105 6.3746 6.3746 7.6334 7.6334 8.0697 8.0697 9.1933 9.1933 9.8662 9.8662 10.4854 10.4854 k = 0.5931 0.1204-0.7442 ( 3984 PWs) bands (ev): -35.1459 -35.1459 -35.1184 -35.1184 -16.1795 -16.1795 -16.0945 -16.0945 -14.8245 -14.8245 -14.7327 -14.7327 -14.6691 -14.6691 -14.5713 -14.5713 -8.8111 -8.8111 -8.6855 -8.6855 2.1081 2.1081 2.3057 2.3057 2.6811 2.6811 2.9472 2.9472 3.1819 3.1819 3.3176 3.3176 6.3441 6.3441 7.6366 7.6366 8.1126 8.1126 9.2254 9.2254 9.8397 9.8397 10.4183 10.4183 k = 0.5896 0.1197-0.7144 ( 3984 PWs) bands (ev): -35.1472 -35.1472 -35.1188 -35.1188 -16.1777 -16.1777 -16.0897 -16.0897 -14.8223 -14.8223 -14.7270 -14.7270 -14.6647 -14.6647 -14.5700 -14.5700 -8.8198 -8.8198 -8.6913 -8.6913 2.1181 2.1181 2.3356 2.3356 2.7018 2.7018 2.9398 2.9398 3.1930 3.1930 3.3247 3.3247 6.3154 6.3154 7.6387 7.6387 8.1574 8.1574 9.2585 9.2585 9.8124 9.8124 10.3547 10.3547 k = 0.5862 0.1190-0.6846 ( 3986 PWs) bands (ev): -35.1484 -35.1484 -35.1192 -35.1192 -16.1759 -16.1759 -16.0849 -16.0849 -14.8202 -14.8202 -14.7214 -14.7214 -14.6597 -14.6597 -14.5688 -14.5688 -8.8285 -8.8285 -8.6973 -8.6973 2.1236 2.1236 2.3667 2.3667 2.7262 2.7262 2.9327 2.9327 3.2042 3.2042 3.3319 3.3319 6.2883 6.2883 7.6397 7.6397 8.2039 8.2039 9.2926 9.2926 9.7845 9.7845 10.2945 10.2945 k = 0.5827 0.1183-0.6549 ( 3982 PWs) bands (ev): -35.1496 -35.1496 -35.1197 -35.1197 -16.1742 -16.1742 -16.0802 -16.0802 -14.8183 -14.8183 -14.7159 -14.7159 -14.6542 -14.6542 -14.5676 -14.5676 -8.8372 -8.8372 -8.7035 -8.7035 2.1250 2.1250 2.3984 2.3984 2.7538 2.7538 2.9263 2.9263 3.2155 3.2155 3.3391 3.3391 6.2630 6.2630 7.6396 7.6396 8.2522 8.2522 9.3274 9.3274 9.7563 9.7563 10.2381 10.2381 k = 0.5793 0.1176-0.6251 ( 3980 PWs) bands (ev): -35.1509 -35.1509 -35.1201 -35.1201 -16.1724 -16.1724 -16.0756 -16.0756 -14.8165 -14.8165 -14.7105 -14.7105 -14.6483 -14.6483 -14.5666 -14.5666 -8.8458 -8.8458 -8.7097 -8.7097 2.1228 2.1228 2.4299 2.4299 2.7842 2.7842 2.9214 2.9214 3.2268 3.2268 3.3464 3.3464 6.2393 6.2393 7.6382 7.6382 8.3021 8.3021 9.3626 9.3626 9.7279 9.7279 10.1853 10.1853 k = 0.5758 0.1169-0.5953 ( 3982 PWs) bands (ev): -35.1521 -35.1521 -35.1206 -35.1206 -16.1706 -16.1706 -16.0711 -16.0711 -14.8149 -14.8149 -14.7051 -14.7051 -14.6421 -14.6421 -14.5657 -14.5657 -8.8543 -8.8543 -8.7160 -8.7160 2.1177 2.1177 2.4600 2.4600 2.8169 2.8169 2.9187 2.9187 3.2380 3.2380 3.3536 3.3536 6.2171 6.2171 7.6357 7.6357 8.3535 8.3535 9.3981 9.3981 9.6996 9.6996 10.1364 10.1364 k = 0.5724 0.1162-0.5655 ( 3982 PWs) bands (ev): -35.1533 -35.1533 -35.1211 -35.1211 -16.1689 -16.1689 -16.0666 -16.0666 -14.8134 -14.8134 -14.6996 -14.6996 -14.6356 -14.6356 -14.5648 -14.5648 -8.8626 -8.8626 -8.7224 -8.7224 2.1101 2.1101 2.4875 2.4875 2.8512 2.8512 2.9195 2.9195 3.2492 3.2492 3.3607 3.3607 6.1964 6.1964 7.6318 7.6318 8.4063 8.4063 9.4334 9.4334 9.6718 9.6718 10.0914 10.0914 k = 0.5689 0.1155-0.5357 ( 3986 PWs) bands (ev): -35.1544 -35.1544 -35.1215 -35.1215 -16.1672 -16.1672 -16.0623 -16.0623 -14.8121 -14.8121 -14.6942 -14.6942 -14.6289 -14.6289 -14.5641 -14.5641 -8.8707 -8.8707 -8.7288 -8.7288 2.1006 2.1006 2.5113 2.5113 2.8861 2.8861 2.9254 2.9254 3.2603 3.2603 3.3678 3.3678 6.1771 6.1771 7.6266 7.6266 8.4605 8.4605 9.4681 9.4681 9.6446 9.6446 10.0505 10.0505 k = 0.5655 0.1148-0.5059 ( 3990 PWs) bands (ev): -35.1555 -35.1555 -35.1220 -35.1220 -16.1655 -16.1655 -16.0581 -16.0581 -14.8109 -14.8109 -14.6886 -14.6886 -14.6222 -14.6222 -14.5634 -14.5634 -8.8787 -8.8787 -8.7351 -8.7351 2.0897 2.0897 2.5302 2.5302 2.9178 2.9178 2.9406 2.9406 3.2712 3.2712 3.3748 3.3748 6.1590 6.1590 7.6200 7.6200 8.5158 8.5158 9.5013 9.5013 9.6187 9.6187 10.0137 10.0137 k = 0.5621 0.1141-0.4761 ( 3986 PWs) bands (ev): -35.1566 -35.1566 -35.1225 -35.1225 -16.1639 -16.1639 -16.0541 -16.0541 -14.8099 -14.8099 -14.6830 -14.6830 -14.6155 -14.6155 -14.5629 -14.5629 -8.8864 -8.8864 -8.7414 -8.7414 2.0777 2.0777 2.5435 2.5435 2.9409 2.9409 2.9706 2.9706 3.2819 3.2819 3.3816 3.3816 6.1420 6.1420 7.6120 7.6120 8.5722 8.5722 9.5312 9.5312 9.5954 9.5954 9.9812 9.9812 k = 0.5586 0.1134-0.4463 ( 3984 PWs) bands (ev): -35.1577 -35.1577 -35.1229 -35.1229 -16.1623 -16.1623 -16.0502 -16.0502 -14.8090 -14.8090 -14.6774 -14.6774 -14.6089 -14.6089 -14.5624 -14.5624 -8.8939 -8.8939 -8.7477 -8.7477 2.0649 2.0649 2.5512 2.5512 2.9633 2.9633 3.0072 3.0072 3.2924 3.2924 3.3883 3.3883 6.1260 6.1260 7.6027 7.6027 8.6294 8.6294 9.5480 9.5480 9.5839 9.5839 9.9531 9.9531 k = 0.5552 0.1127-0.4165 ( 3983 PWs) bands (ev): -35.1587 -35.1587 -35.1234 -35.1234 -16.1609 -16.1609 -16.0465 -16.0465 -14.8083 -14.8083 -14.6717 -14.6717 -14.6025 -14.6025 -14.5619 -14.5619 -8.9011 -8.9011 -8.7538 -8.7538 2.0517 2.0517 2.5538 2.5538 2.9893 2.9893 3.0452 3.0452 3.3027 3.3027 3.3948 3.3948 6.1109 6.1109 7.5921 7.5921 8.6873 8.6873 9.5359 9.5359 9.5994 9.5994 9.9295 9.9295 k = 0.5517 0.1120-0.3867 ( 3979 PWs) bands (ev): -35.1597 -35.1597 -35.1238 -35.1238 -16.1594 -16.1594 -16.0429 -16.0429 -14.8076 -14.8076 -14.6660 -14.6660 -14.5964 -14.5964 -14.5614 -14.5614 -8.9080 -8.9080 -8.7597 -8.7597 2.0383 2.0383 2.5520 2.5520 3.0187 3.0187 3.0832 3.0832 3.3126 3.3126 3.4011 3.4011 6.0965 6.0965 7.5803 7.5803 8.7457 8.7457 9.5160 9.5160 9.6198 9.6198 9.9108 9.9108 k = 0.5483 0.1113-0.3569 ( 3979 PWs) bands (ev): -35.1606 -35.1606 -35.1242 -35.1242 -16.1581 -16.1581 -16.0396 -16.0396 -14.8070 -14.8070 -14.6604 -14.6604 -14.5908 -14.5908 -14.5608 -14.5608 -8.9146 -8.9146 -8.7654 -8.7654 2.0249 2.0249 2.5470 2.5470 3.0507 3.0507 3.1206 3.1206 3.3223 3.3223 3.4073 3.4073 6.0829 6.0829 7.5674 7.5674 8.8042 8.8042 9.4960 9.4960 9.6366 9.6366 9.8972 9.8972 k = 0.5448 0.1106-0.3271 ( 3986 PWs) bands (ev): -35.1615 -35.1615 -35.1246 -35.1246 -16.1568 -16.1568 -16.0364 -16.0364 -14.8066 -14.8066 -14.6547 -14.6547 -14.5859 -14.5859 -14.5600 -14.5600 -8.9208 -8.9208 -8.7710 -8.7710 2.0117 2.0117 2.5395 2.5395 3.0841 3.0841 3.1572 3.1572 3.3317 3.3317 3.4133 3.4133 6.0700 6.0700 7.5536 7.5536 8.8626 8.8626 9.4772 9.4772 9.6478 9.6478 9.8891 9.8891 k = 0.5414 0.1099-0.2973 ( 3988 PWs) bands (ev): -35.1624 -35.1624 -35.1250 -35.1250 -16.1557 -16.1557 -16.0335 -16.0335 -14.8061 -14.8061 -14.6491 -14.6491 -14.5818 -14.5818 -14.5587 -14.5587 -8.9266 -8.9266 -8.7762 -8.7762 1.9988 1.9988 2.5305 2.5305 3.1181 3.1181 3.1924 3.1924 3.3408 3.3408 3.4191 3.4191 6.0576 6.0576 7.5391 7.5391 8.9205 8.9205 9.4598 9.4598 9.6531 9.6531 9.8863 9.8863 k = 0.5379 0.1092-0.2675 ( 3993 PWs) bands (ev): -35.1631 -35.1631 -35.1253 -35.1253 -16.1546 -16.1546 -16.0307 -16.0307 -14.8058 -14.8058 -14.6436 -14.6436 -14.5789 -14.5789 -14.5568 -14.5568 -8.9321 -8.9321 -8.7812 -8.7812 1.9865 1.9865 2.5205 2.5205 3.1518 3.1518 3.2259 3.2259 3.3496 3.3496 3.4248 3.4248 6.0458 6.0458 7.5241 7.5241 8.9774 8.9774 9.4439 9.4439 9.6530 9.6530 9.8884 9.8884 k = 0.5345 0.1085-0.2377 ( 3995 PWs) bands (ev): -35.1639 -35.1639 -35.1257 -35.1257 -16.1536 -16.1536 -16.0282 -16.0282 -14.8055 -14.8055 -14.6382 -14.6382 -14.5771 -14.5771 -14.5543 -14.5543 -8.9371 -8.9371 -8.7858 -8.7858 1.9748 1.9748 2.5102 2.5102 3.1843 3.1843 3.2573 3.2573 3.3582 3.3582 3.4305 3.4305 6.0347 6.0347 7.5091 7.5091 9.0329 9.0329 9.4296 9.4296 9.6484 9.6484 9.8943 9.8943 k = 0.5310 0.1078-0.2079 ( 4001 PWs) bands (ev): -35.1645 -35.1645 -35.1260 -35.1260 -16.1527 -16.1527 -16.0259 -16.0259 -14.8052 -14.8052 -14.6329 -14.6329 -14.5764 -14.5764 -14.5513 -14.5513 -8.9417 -8.9417 -8.7901 -8.7901 1.9639 1.9639 2.4999 2.4999 3.2150 3.2150 3.2862 3.2862 3.3667 3.3667 3.4361 3.4361 6.0242 6.0242 7.4941 7.4941 9.0863 9.0863 9.4170 9.4170 9.6408 9.6408 9.9032 9.9032 k = 0.5276 0.1071-0.1781 ( 4003 PWs) bands (ev): -35.1651 -35.1651 -35.1263 -35.1263 -16.1519 -16.1519 -16.0238 -16.0238 -14.8050 -14.8050 -14.6278 -14.6278 -14.5766 -14.5766 -14.5481 -14.5481 -8.9459 -8.9459 -8.7941 -8.7941 1.9538 1.9538 2.4899 2.4899 3.2433 3.2433 3.3122 3.3122 3.3752 3.3752 3.4419 3.4419 6.0144 6.0144 7.4796 7.4796 9.1369 9.1369 9.4060 9.4060 9.6315 9.6315 9.9142 9.9142 k = 0.5241 0.1064-0.1483 ( 4005 PWs) bands (ev): -35.1656 -35.1656 -35.1265 -35.1265 -16.1511 -16.1511 -16.0220 -16.0220 -14.8048 -14.8048 -14.6229 -14.6229 -14.5773 -14.5773 -14.5450 -14.5450 -8.9496 -8.9496 -8.7976 -8.7976 1.9447 1.9447 2.4806 2.4806 3.2685 3.2685 3.3350 3.3350 3.3836 3.3836 3.4479 3.4479 6.0054 6.0054 7.4659 7.4659 9.1841 9.1841 9.3967 9.3967 9.6214 9.6214 9.9264 9.9264 k = 0.5207 0.1057-0.1185 ( 4007 PWs) bands (ev): -35.1661 -35.1661 -35.1267 -35.1267 -16.1505 -16.1505 -16.0204 -16.0204 -14.8047 -14.8047 -14.6181 -14.6181 -14.5786 -14.5786 -14.5421 -14.5421 -8.9528 -8.9528 -8.8007 -8.8007 1.9367 1.9367 2.4721 2.4721 3.2901 3.2901 3.3542 3.3542 3.3921 3.3921 3.4543 3.4543 5.9973 5.9973 7.4533 7.4533 9.2269 9.2269 9.3891 9.3891 9.6113 9.6113 9.9392 9.9392 k = 0.5172 0.1050-0.0887 ( 4009 PWs) bands (ev): -35.1665 -35.1665 -35.1269 -35.1269 -16.1500 -16.1500 -16.0190 -16.0190 -14.8045 -14.8045 -14.6136 -14.6136 -14.5802 -14.5802 -14.5395 -14.5395 -8.9556 -8.9556 -8.8034 -8.8034 1.9298 1.9298 2.4647 2.4647 3.3077 3.3077 3.3700 3.3700 3.4003 3.4003 3.4609 3.4609 5.9903 5.9903 7.4421 7.4421 9.2643 9.2643 9.3835 9.3835 9.6019 9.6019 9.9516 9.9516 k = 0.5138 0.1043-0.0589 ( 4016 PWs) bands (ev): -35.1668 -35.1668 -35.1271 -35.1271 -16.1495 -16.1495 -16.0179 -16.0179 -14.8044 -14.8044 -14.6093 -14.6093 -14.5821 -14.5821 -14.5373 -14.5373 -8.9579 -8.9579 -8.8056 -8.8056 1.9240 1.9240 2.4585 2.4585 3.3214 3.3214 3.3824 3.3824 3.4079 3.4079 3.4675 3.4675 5.9843 5.9843 7.4325 7.4325 9.2951 9.2951 9.3801 9.3801 9.5937 9.5937 9.9624 9.9624 k = 0.5103 0.1036-0.0292 ( 4017 PWs) bands (ev): -35.1671 -35.1671 -35.1272 -35.1272 -16.1492 -16.1492 -16.0170 -16.0170 -14.8044 -14.8044 -14.6053 -14.6053 -14.5842 -14.5842 -14.5355 -14.5355 -8.9596 -8.9596 -8.8073 -8.8073 1.9195 1.9195 2.4535 2.4535 3.3313 3.3313 3.3917 3.3917 3.4144 3.4144 3.4736 3.4736 5.9795 5.9795 7.4248 7.4248 9.3180 9.3180 9.3796 9.3796 9.5869 9.5869 9.9704 9.9704 k = 0.5069 0.1029 0.0006 ( 4017 PWs) bands (ev): -35.1673 -35.1673 -35.1273 -35.1273 -16.1490 -16.1490 -16.0164 -16.0164 -14.8043 -14.8043 -14.6017 -14.6017 -14.5865 -14.5865 -14.5342 -14.5342 -8.9609 -8.9609 -8.8085 -8.8085 1.9162 1.9162 2.4499 2.4499 3.3379 3.3379 3.3981 3.3981 3.4195 3.4195 3.4785 3.4785 5.9760 5.9760 7.4191 7.4191 9.3321 9.3321 9.3820 9.3820 9.5818 9.5818 9.9749 9.9749 k = 0.5034 0.1022 0.0304 ( 4020 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1488 -16.1488 -16.0160 -16.0160 -14.8043 -14.8043 -14.5988 -14.5988 -14.5887 -14.5887 -14.5334 -14.5334 -8.9617 -8.9617 -8.8093 -8.8093 1.9143 1.9143 2.4477 2.4477 3.3417 3.3417 3.4018 3.4018 3.4228 3.4228 3.4816 3.4816 5.9739 5.9739 7.4156 7.4156 9.3387 9.3387 9.3855 9.3855 9.5787 9.5787 9.9765 9.9765 k = 0.5000 0.1015 0.0602 ( 4010 PWs) bands (ev): -35.1674 -35.1674 -35.1274 -35.1274 -16.1487 -16.1487 -16.0159 -16.0159 -14.8043 -14.8043 -14.5974 -14.5974 -14.5898 -14.5898 -14.5332 -14.5332 -8.9619 -8.9619 -8.8095 -8.8095 1.9136 1.9136 2.4470 2.4470 3.3430 3.3430 3.4030 3.4030 3.4239 3.4239 3.4827 3.4827 5.9732 5.9732 7.4145 7.4145 9.3404 9.3404 9.3871 9.3871 9.5777 9.5777 9.9768 9.9768 k = 0.5000-1.1803-0.7002 ( 3996 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6761 -14.6761 -14.6007 -14.6007 -8.6824 -8.6824 -8.6320 -8.6320 1.7544 1.7544 1.9105 1.9105 2.6853 2.6853 3.0008 3.0008 3.0575 3.0575 3.2094 3.2094 7.1414 7.1414 7.3836 7.3836 7.6198 7.6198 8.7835 8.7835 10.1390 10.1390 11.7019 11.7019 k = 0.5270-1.1718-0.6952 ( 3990 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6760 -14.6760 -14.6007 -14.6007 -8.6825 -8.6825 -8.6320 -8.6320 1.7544 1.7544 1.9106 1.9106 2.6852 2.6852 3.0007 3.0007 3.0573 3.0573 3.2097 3.2097 7.1398 7.1398 7.3851 7.3851 7.6194 7.6194 8.7843 8.7843 10.1387 10.1387 11.7040 11.7040 k = 0.5540-1.1634-0.6901 ( 3986 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6760 -14.6760 -14.6007 -14.6007 -8.6826 -8.6826 -8.6319 -8.6319 1.7546 1.7546 1.9110 1.9110 2.6850 2.6850 3.0004 3.0004 3.0567 3.0567 3.2104 3.2104 7.1353 7.1353 7.3893 7.3893 7.6182 7.6182 8.7867 8.7867 10.1377 10.1377 11.7103 11.7103 k = 0.5810-1.1549-0.6851 ( 3975 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8305 -14.8305 -14.6760 -14.6760 -14.6006 -14.6006 -8.6828 -8.6828 -8.6317 -8.6317 1.7549 1.7549 1.9117 1.9117 2.6847 2.6847 2.9999 2.9999 3.0556 3.0556 3.2115 3.2115 7.1283 7.1283 7.3959 7.3959 7.6162 7.6162 8.7908 8.7908 10.1360 10.1360 11.7207 11.7207 k = 0.6080-1.1465-0.6801 ( 3972 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1672 -16.1672 -14.8516 -14.8516 -14.8304 -14.8304 -14.6761 -14.6761 -14.6006 -14.6006 -8.6832 -8.6832 -8.6314 -8.6314 1.7552 1.7552 1.9125 1.9125 2.6842 2.6842 2.9993 2.9993 3.0542 3.0542 3.2131 3.2131 7.1193 7.1193 7.4043 7.4043 7.6135 7.6135 8.7962 8.7962 10.1337 10.1337 11.7352 11.7352 k = 0.6350-1.1380-0.6751 ( 3976 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1671 -16.1671 -14.8516 -14.8516 -14.8304 -14.8304 -14.6761 -14.6761 -14.6006 -14.6006 -8.6835 -8.6835 -8.6311 -8.6311 1.7557 1.7557 1.9135 1.9135 2.6836 2.6836 2.9985 2.9985 3.0525 3.0525 3.2150 3.2150 7.1089 7.1089 7.4141 7.4141 7.6102 7.6102 8.8029 8.8029 10.1309 10.1309 11.7536 11.7536 k = 0.6620-1.1295-0.6701 ( 3981 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1671 -16.1671 -14.8517 -14.8517 -14.8303 -14.8303 -14.6761 -14.6761 -14.6006 -14.6006 -8.6840 -8.6840 -8.6308 -8.6308 1.7564 1.7564 1.9147 1.9147 2.6829 2.6829 2.9976 2.9976 3.0506 3.0506 3.2171 3.2171 7.0976 7.0976 7.4247 7.4247 7.6062 7.6062 8.8106 8.8106 10.1276 10.1276 11.7760 11.7760 k = 0.6890-1.1211-0.6651 ( 3974 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1671 -16.1671 -14.8517 -14.8517 -14.8302 -14.8302 -14.6761 -14.6761 -14.6005 -14.6005 -8.6845 -8.6845 -8.6304 -8.6304 1.7571 1.7571 1.9160 1.9160 2.6821 2.6821 2.9966 2.9966 3.0485 3.0485 3.2194 3.2194 7.0859 7.0859 7.4356 7.4356 7.6018 7.6018 8.8192 8.8192 10.1240 10.1240 11.8021 11.8021 k = 0.7160-1.1126-0.6600 ( 3973 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1961 -16.1961 -16.1670 -16.1670 -14.8517 -14.8517 -14.8302 -14.8302 -14.6761 -14.6761 -14.6005 -14.6005 -8.6850 -8.6850 -8.6300 -8.6300 1.7580 1.7580 1.9173 1.9173 2.6811 2.6811 2.9956 2.9956 3.0463 3.0463 3.2218 3.2218 7.0743 7.0743 7.4466 7.4466 7.5971 7.5971 8.8284 8.8284 10.1202 10.1202 11.8317 11.8317 k = 0.7430-1.1042-0.6550 ( 3970 PWs) bands (ev): -35.1282 -35.1282 -35.1150 -35.1150 -16.1962 -16.1962 -16.1669 -16.1669 -14.8517 -14.8517 -14.8301 -14.8301 -14.6761 -14.6761 -14.6004 -14.6004 -8.6855 -8.6855 -8.6295 -8.6295 1.7590 1.7590 1.9186 1.9186 2.6801 2.6801 2.9946 2.9946 3.0442 3.0442 3.2243 3.2243 7.0631 7.0631 7.4573 7.4573 7.5922 7.5922 8.8379 8.8379 10.1162 10.1162 11.8646 11.8646 k = 0.7700-1.0957-0.6500 ( 3977 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1669 -16.1669 -14.8518 -14.8518 -14.8300 -14.8300 -14.6761 -14.6761 -14.6004 -14.6004 -8.6861 -8.6861 -8.6291 -8.6291 1.7601 1.7601 1.9198 1.9198 2.6790 2.6790 2.9936 2.9936 3.0420 3.0420 3.2267 3.2267 7.0524 7.0524 7.4673 7.4673 7.5873 7.5873 8.8475 8.8475 10.1122 10.1122 11.9006 11.9006 k = 0.7970-1.0872-0.6450 ( 3984 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1668 -16.1668 -14.8518 -14.8518 -14.8299 -14.8299 -14.6762 -14.6762 -14.6003 -14.6003 -8.6866 -8.6866 -8.6287 -8.6287 1.7614 1.7614 1.9209 1.9209 2.6778 2.6778 2.9928 2.9928 3.0400 3.0400 3.2291 3.2291 7.0427 7.0427 7.4763 7.4763 7.5826 7.5826 8.8569 8.8569 10.1082 10.1082 11.9392 11.9392 k = 0.8240-1.0788-0.6400 ( 3982 PWs) bands (ev): -35.1283 -35.1283 -35.1150 -35.1150 -16.1962 -16.1962 -16.1667 -16.1667 -14.8518 -14.8518 -14.8297 -14.8297 -14.6762 -14.6762 -14.6003 -14.6003 -8.6872 -8.6872 -8.6283 -8.6283 1.7628 1.7628 1.9218 1.9218 2.6766 2.6766 2.9920 2.9920 3.0381 3.0381 3.2313 3.2313 7.0341 7.0341 7.4839 7.4839 7.5786 7.5786 8.8659 8.8659 10.1045 10.1045 11.9800 11.9800 Writing output data file YCl.save init_run : 0.37s CPU 0.56s WALL ( 1 calls) electrons : 342.46s CPU 346.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 342.46s CPU 346.07s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.06s WALL ( 311 calls) cegterg : 303.64s CPU 306.01s WALL ( 518 calls) Called by sum_band: Called by *egterg: h_psi : 276.40s CPU 278.13s WALL ( 8870 calls) s_psi : 4.15s CPU 4.40s WALL ( 8870 calls) g_psi : 0.18s CPU 0.18s WALL ( 8041 calls) cdiaghg : 46.10s CPU 46.79s WALL ( 8352 calls) cegterg:over : 4.48s CPU 4.43s WALL ( 8041 calls) cegterg:upda : 4.46s CPU 4.69s WALL ( 8041 calls) cegterg:last : 1.86s CPU 1.75s WALL ( 1140 calls) cdiaghg:chol : 2.72s CPU 2.67s WALL ( 8352 calls) cdiaghg:inve : 1.44s CPU 1.55s WALL ( 8352 calls) cdiaghg:para : 2.42s CPU 2.58s WALL ( 16704 calls) Called by h_psi: h_psi:vloc : 266.04s CPU 267.82s WALL ( 8870 calls) h_psi:vnl : 10.18s CPU 10.14s WALL ( 8870 calls) add_vuspsi : 5.22s CPU 5.19s WALL ( 8870 calls) General routines calbec : 4.92s CPU 4.93s WALL ( 8870 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 245.38s CPU 246.81s WALL ( 660356 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.17s WALL ( 622 calls) Parallel routines fft_scatter : 43.78s CPU 44.20s WALL ( 660379 calls) PWSCF : 5m56.49s CPU 6m32.11s WALL This run was terminated on: 17:25:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=