Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:48:41 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: ./CrBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 33 33 9 1457 1457 221 Max 34 34 10 1464 1464 229 Sum 1189 1189 343 52583 52583 8077 bravais-lattice index = 14 lattice parameter (alat) = 7.5544 a.u. unit-cell volume = 543.2985 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.554426 celldm(2)= 1.000000 celldm(3)= 1.555171 celldm(4)= 0.060209 celldm(5)= 0.060209 celldm(6)= 0.583407 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.583407 0.812180 0.000000 ) a(3) = ( 0.093635 0.048028 1.551607 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.718321 -0.038112 ) b(2) = ( 0.000000 1.231254 -0.038112 ) b(3) = ( 0.000000 0.000000 0.644493 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) Br 7.00 79.90400 Br( 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= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0111111 0.0056992 -0.0008469), wk = 0.0024876 k( 3) = ( 0.0222222 0.0113985 -0.0016939), wk = 0.0024876 k( 4) = ( 0.0333333 0.0170977 -0.0025408), wk = 0.0024876 k( 5) = ( 0.0444444 0.0227970 -0.0033877), wk = 0.0024876 k( 6) = ( 0.0555556 0.0284962 -0.0042347), wk = 0.0024876 k( 7) = ( 0.0666667 0.0341955 -0.0050816), wk = 0.0024876 k( 8) = ( 0.0777778 0.0398947 -0.0059285), wk = 0.0024876 k( 9) = ( 0.0888889 0.0455940 -0.0067755), wk = 0.0024876 k( 10) = ( 0.1000000 0.0512932 -0.0076224), wk = 0.0024876 k( 11) = ( 0.1111111 0.0569925 -0.0084693), wk = 0.0024876 k( 12) = ( 0.1222222 0.0626917 -0.0093163), wk = 0.0024876 k( 13) = ( 0.1333333 0.0683910 -0.0101632), wk = 0.0024876 k( 14) = ( 0.1444444 0.0740902 -0.0110102), wk = 0.0024876 k( 15) = ( 0.1555556 0.0797895 -0.0118571), wk = 0.0024876 k( 16) = ( 0.1666667 0.0854887 -0.0127040), wk = 0.0024876 k( 17) = ( 0.1777778 0.0911880 -0.0135510), wk = 0.0024876 k( 18) = ( 0.1888889 0.0968872 -0.0143979), wk = 0.0024876 k( 19) = ( 0.2000000 0.1025864 -0.0152448), wk = 0.0024876 k( 20) = ( 0.2111111 0.1082857 -0.0160918), wk = 0.0024876 k( 21) = ( 0.2222222 0.1139849 -0.0169387), wk = 0.0024876 k( 22) = ( 0.2333333 0.1196842 -0.0177856), wk = 0.0024876 k( 23) = ( 0.2444444 0.1253834 -0.0186326), wk = 0.0024876 k( 24) = ( 0.2555556 0.1310827 -0.0194795), wk = 0.0024876 k( 25) = ( 0.2666667 0.1367819 -0.0203264), wk = 0.0024876 k( 26) = ( 0.2777778 0.1424812 -0.0211734), wk = 0.0024876 k( 27) = ( 0.2888889 0.1481804 -0.0220203), wk = 0.0024876 k( 28) = ( 0.3000000 0.1538797 -0.0228672), wk = 0.0024876 k( 29) = ( 0.3111111 0.1595789 -0.0237142), wk = 0.0024876 k( 30) = ( 0.3222222 0.1652782 -0.0245611), wk = 0.0024876 k( 31) = ( 0.3333333 0.1709774 -0.0254080), wk = 0.0024876 k( 32) = ( 0.3444444 0.1766767 -0.0262550), wk = 0.0024876 k( 33) = ( 0.3555556 0.1823759 -0.0271019), wk = 0.0024876 k( 34) = ( 0.3666667 0.1880752 -0.0279488), wk = 0.0024876 k( 35) = ( 0.3777778 0.1937744 -0.0287958), wk = 0.0024876 k( 36) = ( 0.3888889 0.1994737 -0.0296427), wk = 0.0024876 k( 37) = ( 0.4000000 0.2051729 -0.0304897), wk = 0.0024876 k( 38) = ( 0.4111111 0.2108721 -0.0313366), wk = 0.0024876 k( 39) = ( 0.4222222 0.2165714 -0.0321835), wk = 0.0024876 k( 40) = ( 0.4333333 0.2222706 -0.0330305), wk = 0.0024876 k( 41) = ( 0.4444444 0.2279699 -0.0338774), wk = 0.0024876 k( 42) = ( 0.4555556 0.2336691 -0.0347243), wk = 0.0024876 k( 43) = ( 0.4666667 0.2393684 -0.0355713), wk = 0.0024876 k( 44) = ( 0.4777778 0.2450676 -0.0364182), wk = 0.0024876 k( 45) = ( 0.4888889 0.2507669 -0.0372651), wk = 0.0024876 k( 46) = ( 0.5000000 0.2564661 -0.0381121), wk = 0.0024876 k( 47) = ( 0.5000000 0.2564661 -0.0381121), wk = 0.0024876 k( 48) = ( 0.5007455 0.2568485 -0.0257584), wk = 0.0024876 k( 49) = ( 0.5014910 0.2572309 -0.0134047), wk = 0.0024876 k( 50) = ( 0.5022365 0.2576133 -0.0010510), wk = 0.0024876 k( 51) = ( 0.5029820 0.2579957 0.0113026), wk = 0.0024876 k( 52) = ( 0.5037275 0.2583781 0.0236563), wk = 0.0024876 k( 53) = ( 0.5044730 0.2587605 0.0360100), wk = 0.0024876 k( 54) = ( 0.5052185 0.2591429 0.0483637), wk = 0.0024876 k( 55) = ( 0.5059640 0.2595253 0.0607173), wk = 0.0024876 k( 56) = ( 0.5067095 0.2599077 0.0730710), wk = 0.0024876 k( 57) = ( 0.5074551 0.2602901 0.0854247), wk = 0.0024876 k( 58) = ( 0.5082006 0.2606725 0.0977784), wk = 0.0024876 k( 59) = ( 0.5089461 0.2610549 0.1101320), wk = 0.0024876 k( 60) = ( 0.5096916 0.2614372 0.1224857), wk = 0.0024876 k( 61) = ( 0.5104371 0.2618196 0.1348394), wk = 0.0024876 k( 62) = ( 0.5111826 0.2622020 0.1471931), wk = 0.0024876 k( 63) = ( 0.5119281 0.2625844 0.1595467), wk = 0.0024876 k( 64) = ( 0.5126736 0.2629668 0.1719004), wk = 0.0024876 k( 65) = ( 0.5134191 0.2633492 0.1842541), wk = 0.0024876 k( 66) = ( 0.5141646 0.2637316 0.1966078), wk = 0.0024876 k( 67) = ( 0.5149101 0.2641140 0.2089614), wk = 0.0024876 k( 68) = ( 0.5156556 0.2644964 0.2213151), wk = 0.0024876 k( 69) = ( 0.5164011 0.2648788 0.2336688), wk = 0.0024876 k( 70) = ( 0.5171466 0.2652612 0.2460225), wk = 0.0024876 k( 71) = ( 0.5171466 0.2652612 0.2460225), wk = 0.0024876 k( 72) = ( 0.5128600 0.2630624 0.2555505), wk = 0.0024876 k( 73) = ( 0.5085733 0.2608637 0.2650785), wk = 0.0024876 k( 74) = ( 0.5042867 0.2586649 0.2746065), wk = 0.0024876 k( 75) = ( 0.5000000 0.2564661 0.2841345), wk = 0.0024876 k( 76) = ( 0.5000000 0.2564661 0.2841345), wk = 0.0024876 k( 77) = ( 0.5057284 0.2452981 0.2841345), wk = 0.0024876 k( 78) = ( 0.5114569 0.2341300 0.2841345), wk = 0.0024876 k( 79) = ( 0.5171854 0.2229620 0.2841345), wk = 0.0024876 k( 80) = ( 0.5229138 0.2117939 0.2841345), wk = 0.0024876 k( 81) = ( 0.5286423 0.2006259 0.2841345), wk = 0.0024876 k( 82) = ( 0.5343707 0.1894578 0.2841345), wk = 0.0024876 k( 83) = ( 0.5400992 0.1782898 0.2841345), wk = 0.0024876 k( 84) = ( 0.5458276 0.1671217 0.2841345), wk = 0.0024876 k( 85) = ( 0.5515561 0.1559537 0.2841345), wk = 0.0024876 k( 86) = ( 0.5572845 0.1447856 0.2841345), wk = 0.0024876 k( 87) = ( 0.5630130 0.1336176 0.2841345), wk = 0.0024876 k( 88) = ( 0.5687414 0.1224495 0.2841345), wk = 0.0024876 k( 89) = ( 0.5744699 0.1112815 0.2841345), wk = 0.0024876 k( 90) = ( 0.5801983 0.1001134 0.2841345), wk = 0.0024876 k( 91) = ( 0.5859268 0.0889454 0.2841345), wk = 0.0024876 k( 92) = ( 0.5916552 0.0777773 0.2841345), wk = 0.0024876 k( 93) = ( 0.5973837 0.0666093 0.2841345), wk = 0.0024876 k( 94) = ( 0.6031122 0.0554412 0.2841345), wk = 0.0024876 k( 95) = ( 0.6088406 0.0442732 0.2841345), wk = 0.0024876 k( 96) = ( 0.6145691 0.0331051 0.2841345), wk = 0.0024876 k( 97) = ( 0.6202975 0.0219371 0.2841345), wk = 0.0024876 k( 98) = ( 0.6260260 0.0107690 0.2841345), wk = 0.0024876 k( 99) = ( 0.6317544 -0.0003990 0.2841345), wk = 0.0024876 k( 100) = ( 0.6374829 -0.0115671 0.2841345), wk = 0.0024876 k( 101) = ( 0.6432113 -0.0227351 0.2841345), wk = 0.0024876 k( 102) = ( 0.6489398 -0.0339032 0.2841345), wk = 0.0024876 k( 103) = ( 0.6546682 -0.0450712 0.2841345), wk = 0.0024876 k( 104) = ( 0.6603967 -0.0562393 0.2841345), wk = 0.0024876 k( 105) = ( 0.6661251 -0.0674073 0.2841345), wk = 0.0024876 k( 106) = ( 0.6718536 -0.0785754 0.2841345), wk = 0.0024876 k( 107) = ( 0.6775821 -0.0897434 0.2841345), wk = 0.0024876 k( 108) = ( 0.6833105 -0.1009115 0.2841345), wk = 0.0024876 k( 109) = ( 0.6890390 -0.1120796 0.2841345), wk = 0.0024876 k( 110) = ( 0.3109610 -0.6062419 0.3222466), wk = 0.0024876 k( 111) = ( 0.3052025 -0.5950153 0.3222466), wk = 0.0024876 k( 112) = ( 0.2994440 -0.5837885 0.3222466), wk = 0.0024876 k( 113) = ( 0.2936854 -0.5725618 0.3222466), wk = 0.0024876 k( 114) = ( 0.2879269 -0.5613351 0.3222466), wk = 0.0024876 k( 115) = ( 0.2821684 -0.5501084 0.3222466), wk = 0.0024876 k( 116) = ( 0.2764098 -0.5388817 0.3222466), wk = 0.0024876 k( 117) = ( 0.2706513 -0.5276550 0.3222466), wk = 0.0024876 k( 118) = ( 0.2648927 -0.5164283 0.3222466), wk = 0.0024876 k( 119) = ( 0.2591342 -0.5052016 0.3222466), wk = 0.0024876 k( 120) = ( 0.2533757 -0.4939749 0.3222466), wk = 0.0024876 k( 121) = ( 0.2476171 -0.4827482 0.3222466), wk = 0.0024876 k( 122) = ( 0.2418586 -0.4715215 0.3222466), wk = 0.0024876 k( 123) = ( 0.2361001 -0.4602948 0.3222466), wk = 0.0024876 k( 124) = ( 0.2303415 -0.4490681 0.3222466), wk = 0.0024876 k( 125) = ( 0.2245830 -0.4378414 0.3222466), wk = 0.0024876 k( 126) = ( 0.2188244 -0.4266147 0.3222466), wk = 0.0024876 k( 127) = ( 0.2130659 -0.4153880 0.3222466), wk = 0.0024876 k( 128) = ( 0.2073074 -0.4041613 0.3222466), wk = 0.0024876 k( 129) = ( 0.2015488 -0.3929346 0.3222466), wk = 0.0024876 k( 130) = ( 0.1957903 -0.3817079 0.3222466), wk = 0.0024876 k( 131) = ( 0.1900317 -0.3704812 0.3222466), wk = 0.0024876 k( 132) = ( 0.1842732 -0.3592545 0.3222466), wk = 0.0024876 k( 133) = ( 0.1785147 -0.3480278 0.3222466), wk = 0.0024876 k( 134) = ( 0.1727561 -0.3368011 0.3222466), wk = 0.0024876 k( 135) = ( 0.1669976 -0.3255744 0.3222466), wk = 0.0024876 k( 136) = ( 0.1612391 -0.3143477 0.3222466), wk = 0.0024876 k( 137) = ( 0.1554805 -0.3031210 0.3222466), wk = 0.0024876 k( 138) = ( 0.1497220 -0.2918943 0.3222466), wk = 0.0024876 k( 139) = ( 0.1439634 -0.2806676 0.3222466), wk = 0.0024876 k( 140) = ( 0.1382049 -0.2694409 0.3222466), wk = 0.0024876 k( 141) = ( 0.1324464 -0.2582142 0.3222466), wk = 0.0024876 k( 142) = ( 0.1266878 -0.2469875 0.3222466), wk = 0.0024876 k( 143) = ( 0.1209293 -0.2357607 0.3222466), wk = 0.0024876 k( 144) = ( 0.1151708 -0.2245341 0.3222466), wk = 0.0024876 k( 145) = ( 0.1094122 -0.2133074 0.3222466), wk = 0.0024876 k( 146) = ( 0.1036537 -0.2020806 0.3222466), wk = 0.0024876 k( 147) = ( 0.0978951 -0.1908539 0.3222466), wk = 0.0024876 k( 148) = ( 0.0921366 -0.1796273 0.3222466), wk = 0.0024876 k( 149) = ( 0.0863781 -0.1684005 0.3222466), wk = 0.0024876 k( 150) = ( 0.0806195 -0.1571738 0.3222466), wk = 0.0024876 k( 151) = ( 0.0748610 -0.1459471 0.3222466), wk = 0.0024876 k( 152) = ( 0.0691024 -0.1347204 0.3222466), wk = 0.0024876 k( 153) = ( 0.0633439 -0.1234937 0.3222466), wk = 0.0024876 k( 154) = ( 0.0575854 -0.1122670 0.3222466), wk = 0.0024876 k( 155) = ( 0.0518268 -0.1010403 0.3222466), wk = 0.0024876 k( 156) = ( 0.0460683 -0.0898136 0.3222466), wk = 0.0024876 k( 157) = ( 0.0403098 -0.0785869 0.3222466), wk = 0.0024876 k( 158) = ( 0.0345512 -0.0673602 0.3222466), wk = 0.0024876 k( 159) = ( 0.0287927 -0.0561335 0.3222466), wk = 0.0024876 k( 160) = ( 0.0230341 -0.0449068 0.3222466), wk = 0.0024876 k( 161) = ( 0.0172756 -0.0336801 0.3222466), wk = 0.0024876 k( 162) = ( 0.0115171 -0.0224534 0.3222466), wk = 0.0024876 k( 163) = ( 0.0057585 -0.0112267 0.3222466), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.3222466), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.3222466), wk = 0.0024876 k( 166) = ( 0.0112292 0.0057598 0.3222466), wk = 0.0024876 k( 167) = ( 0.0224583 0.0115196 0.3222466), wk = 0.0024876 k( 168) = ( 0.0336874 0.0172794 0.3222466), wk = 0.0024876 k( 169) = ( 0.0449166 0.0230392 0.3222466), wk = 0.0024876 k( 170) = ( 0.0561457 0.0287990 0.3222466), wk = 0.0024876 k( 171) = ( 0.0673749 0.0345588 0.3222466), wk = 0.0024876 k( 172) = ( 0.0786040 0.0403185 0.3222466), wk = 0.0024876 k( 173) = ( 0.0898332 0.0460783 0.3222466), wk = 0.0024876 k( 174) = ( 0.1010623 0.0518381 0.3222466), wk = 0.0024876 k( 175) = ( 0.1122915 0.0575979 0.3222466), wk = 0.0024876 k( 176) = ( 0.1235206 0.0633577 0.3222466), wk = 0.0024876 k( 177) = ( 0.1347498 0.0691175 0.3222466), wk = 0.0024876 k( 178) = ( 0.1459789 0.0748773 0.3222466), wk = 0.0024876 k( 179) = ( 0.1572081 0.0806371 0.3222466), wk = 0.0024876 k( 180) = ( 0.1684372 0.0863969 0.3222466), wk = 0.0024876 k( 181) = ( 0.1796664 0.0921567 0.3222466), wk = 0.0024876 k( 182) = ( 0.1908955 0.0979165 0.3222466), wk = 0.0024876 k( 183) = ( 0.2021247 0.1036763 0.3222466), wk = 0.0024876 k( 184) = ( 0.2133538 0.1094360 0.3222466), wk = 0.0024876 k( 185) = ( 0.2245830 0.1151958 0.3222466), wk = 0.0024876 k( 186) = ( 0.2358121 0.1209556 0.3222466), wk = 0.0024876 k( 187) = ( 0.2470413 0.1267154 0.3222466), wk = 0.0024876 k( 188) = ( 0.2582704 0.1324752 0.3222466), wk = 0.0024876 k( 189) = ( 0.2694995 0.1382350 0.3222466), wk = 0.0024876 k( 190) = ( 0.2807287 0.1439948 0.3222466), wk = 0.0024876 k( 191) = ( 0.2919579 0.1497546 0.3222466), wk = 0.0024876 k( 192) = ( 0.3031870 0.1555144 0.3222466), wk = 0.0024876 k( 193) = ( 0.3144161 0.1612742 0.3222466), wk = 0.0024876 k( 194) = ( 0.3256453 0.1670340 0.3222466), wk = 0.0024876 k( 195) = ( 0.3368744 0.1727938 0.3222466), wk = 0.0024876 k( 196) = ( 0.3481036 0.1785536 0.3222466), wk = 0.0024876 k( 197) = ( 0.3593327 0.1843133 0.3222466), wk = 0.0024876 k( 198) = ( 0.3705619 0.1900731 0.3222466), wk = 0.0024876 k( 199) = ( 0.3817910 0.1958329 0.3222466), wk = 0.0024876 k( 200) = ( 0.3930202 0.2015927 0.3222466), wk = 0.0024876 k( 201) = ( 0.4042493 0.2073525 0.3222466), wk = 0.0024876 k( 202) = ( 0.4154785 0.2131123 0.3222466), wk = 0.0024876 k( 203) = ( 0.4267076 0.2188721 0.3222466), wk = 0.0024876 k( 204) = ( 0.4379368 0.2246319 0.3222466), wk = 0.0024876 k( 205) = ( 0.4491659 0.2303917 0.3222466), wk = 0.0024876 k( 206) = ( 0.4603951 0.2361515 0.3222466), wk = 0.0024876 k( 207) = ( 0.4716242 0.2419113 0.3222466), wk = 0.0024876 k( 208) = ( 0.4828534 0.2476711 0.3222466), wk = 0.0024876 k( 209) = ( 0.5000000 0.2564661 -0.0381121), wk = 0.0024876 k( 210) = ( 0.5057476 0.2452608 -0.0381121), wk = 0.0024876 k( 211) = ( 0.5114952 0.2340554 -0.0381121), wk = 0.0024876 k( 212) = ( 0.5172427 0.2228501 -0.0381121), wk = 0.0024876 k( 213) = ( 0.5229903 0.2116448 -0.0381121), wk = 0.0024876 k( 214) = ( 0.5287379 0.2004394 -0.0381121), wk = 0.0024876 k( 215) = ( 0.5344855 0.1892341 -0.0381121), wk = 0.0024876 k( 216) = ( 0.5402331 0.1780287 -0.0381121), wk = 0.0024876 k( 217) = ( 0.5459806 0.1668234 -0.0381121), wk = 0.0024876 k( 218) = ( 0.5517282 0.1556181 -0.0381121), wk = 0.0024876 k( 219) = ( 0.5574758 0.1444127 -0.0381121), wk = 0.0024876 k( 220) = ( 0.5632234 0.1332074 -0.0381121), wk = 0.0024876 k( 221) = ( 0.5689710 0.1220020 -0.0381121), wk = 0.0024876 k( 222) = ( 0.5747185 0.1107967 -0.0381121), wk = 0.0024876 k( 223) = ( 0.5804661 0.0995914 -0.0381121), wk = 0.0024876 k( 224) = ( 0.5862137 0.0883860 -0.0381121), wk = 0.0024876 k( 225) = ( 0.5919613 0.0771807 -0.0381121), wk = 0.0024876 k( 226) = ( 0.5977089 0.0659753 -0.0381121), wk = 0.0024876 k( 227) = ( 0.6034565 0.0547700 -0.0381121), wk = 0.0024876 k( 228) = ( 0.6092040 0.0435647 -0.0381121), wk = 0.0024876 k( 229) = ( 0.6149516 0.0323593 -0.0381121), wk = 0.0024876 k( 230) = ( 0.6206992 0.0211540 -0.0381121), wk = 0.0024876 k( 231) = ( 0.6264468 0.0099486 -0.0381121), wk = 0.0024876 k( 232) = ( 0.6321944 -0.0012567 -0.0381121), wk = 0.0024876 k( 233) = ( 0.6379419 -0.0124620 -0.0381121), wk = 0.0024876 k( 234) = ( 0.6436895 -0.0236674 -0.0381121), wk = 0.0024876 k( 235) = ( 0.6494371 -0.0348727 -0.0381121), wk = 0.0024876 k( 236) = ( 0.6551847 -0.0460781 -0.0381121), wk = 0.0024876 k( 237) = ( 0.6609322 -0.0572834 -0.0381121), wk = 0.0024876 k( 238) = ( 0.6666798 -0.0684887 -0.0381121), wk = 0.0024876 k( 239) = ( 0.6724274 -0.0796941 -0.0381121), wk = 0.0024876 k( 240) = ( 0.6781750 -0.0908994 -0.0381121), wk = 0.0024876 k( 241) = ( 0.6839226 -0.1021048 -0.0381121), wk = 0.0024876 k( 242) = ( 0.3160774 -0.6162167 -0.0000000), wk = 0.0024876 k( 243) = ( 0.3103306 -0.6050128 -0.0000000), wk = 0.0024876 k( 244) = ( 0.3045837 -0.5938088 -0.0000000), wk = 0.0024876 k( 245) = ( 0.2988368 -0.5826049 -0.0000000), wk = 0.0024876 k( 246) = ( 0.2930900 -0.5714010 -0.0000000), wk = 0.0024876 k( 247) = ( 0.2873431 -0.5601970 -0.0000000), wk = 0.0024876 k( 248) = ( 0.2815963 -0.5489931 -0.0000000), wk = 0.0024876 k( 249) = ( 0.2758494 -0.5377891 -0.0000000), wk = 0.0024876 k( 250) = ( 0.2701025 -0.5265852 -0.0000000), wk = 0.0024876 k( 251) = ( 0.2643557 -0.5153813 -0.0000000), wk = 0.0024876 k( 252) = ( 0.2586088 -0.5041773 -0.0000000), wk = 0.0024876 k( 253) = ( 0.2528619 -0.4929734 -0.0000000), wk = 0.0024876 k( 254) = ( 0.2471151 -0.4817694 -0.0000000), wk = 0.0024876 k( 255) = ( 0.2413682 -0.4705655 -0.0000000), wk = 0.0024876 k( 256) = ( 0.2356214 -0.4593616 -0.0000000), wk = 0.0024876 k( 257) = ( 0.2298745 -0.4481576 -0.0000000), wk = 0.0024876 k( 258) = ( 0.2241276 -0.4369537 -0.0000000), wk = 0.0024876 k( 259) = ( 0.2183808 -0.4257497 -0.0000000), wk = 0.0024876 k( 260) = ( 0.2126339 -0.4145458 -0.0000000), wk = 0.0024876 k( 261) = ( 0.2068870 -0.4033418 -0.0000000), wk = 0.0024876 k( 262) = ( 0.2011402 -0.3921379 -0.0000000), wk = 0.0024876 k( 263) = ( 0.1953933 -0.3809340 -0.0000000), wk = 0.0024876 k( 264) = ( 0.1896465 -0.3697300 -0.0000000), wk = 0.0024876 k( 265) = ( 0.1838996 -0.3585261 -0.0000000), wk = 0.0024876 k( 266) = ( 0.1781527 -0.3473221 -0.0000000), wk = 0.0024876 k( 267) = ( 0.1724059 -0.3361182 -0.0000000), wk = 0.0024876 k( 268) = ( 0.1666590 -0.3249143 -0.0000000), wk = 0.0024876 k( 269) = ( 0.1609122 -0.3137103 -0.0000000), wk = 0.0024876 k( 270) = ( 0.1551653 -0.3025064 -0.0000000), wk = 0.0024876 k( 271) = ( 0.1494184 -0.2913024 -0.0000000), wk = 0.0024876 k( 272) = ( 0.1436716 -0.2800985 -0.0000000), wk = 0.0024876 k( 273) = ( 0.1379247 -0.2688946 -0.0000000), wk = 0.0024876 k( 274) = ( 0.1321778 -0.2576906 -0.0000000), wk = 0.0024876 k( 275) = ( 0.1264310 -0.2464867 -0.0000000), wk = 0.0024876 k( 276) = ( 0.1206841 -0.2352828 -0.0000000), wk = 0.0024876 k( 277) = ( 0.1149373 -0.2240788 -0.0000000), wk = 0.0024876 k( 278) = ( 0.1091904 -0.2128749 -0.0000000), wk = 0.0024876 k( 279) = ( 0.1034435 -0.2016709 -0.0000000), wk = 0.0024876 k( 280) = ( 0.0976967 -0.1904670 -0.0000000), wk = 0.0024876 k( 281) = ( 0.0919498 -0.1792631 -0.0000000), wk = 0.0024876 k( 282) = ( 0.0862029 -0.1680591 -0.0000000), wk = 0.0024876 k( 283) = ( 0.0804561 -0.1568552 -0.0000000), wk = 0.0024876 k( 284) = ( 0.0747092 -0.1456512 -0.0000000), wk = 0.0024876 k( 285) = ( 0.0689624 -0.1344473 -0.0000000), wk = 0.0024876 k( 286) = ( 0.0632155 -0.1232434 -0.0000000), wk = 0.0024876 k( 287) = ( 0.0574686 -0.1120394 -0.0000000), wk = 0.0024876 k( 288) = ( 0.0517218 -0.1008355 -0.0000000), wk = 0.0024876 k( 289) = ( 0.0459749 -0.0896315 -0.0000000), wk = 0.0024876 k( 290) = ( 0.0402280 -0.0784276 -0.0000000), wk = 0.0024876 k( 291) = ( 0.0344812 -0.0672236 -0.0000000), wk = 0.0024876 k( 292) = ( 0.0287343 -0.0560197 -0.0000000), wk = 0.0024876 k( 293) = ( 0.0229874 -0.0448158 -0.0000000), wk = 0.0024876 k( 294) = ( 0.0172406 -0.0336118 -0.0000000), wk = 0.0024876 k( 295) = ( 0.0114937 -0.0224079 -0.0000000), wk = 0.0024876 k( 296) = ( 0.0057469 -0.0112039 -0.0000000), wk = 0.0024876 k( 297) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 298) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 299) = ( 0.0102041 -0.0073298 -0.0003889), wk = 0.0024876 k( 300) = ( 0.0204082 -0.0146596 -0.0007778), wk = 0.0024876 k( 301) = ( 0.0306122 -0.0219894 -0.0011667), wk = 0.0024876 k( 302) = ( 0.0408163 -0.0293192 -0.0015556), wk = 0.0024876 k( 303) = ( 0.0510204 -0.0366491 -0.0019445), wk = 0.0024876 k( 304) = ( 0.0612245 -0.0439789 -0.0023334), wk = 0.0024876 k( 305) = ( 0.0714286 -0.0513087 -0.0027223), wk = 0.0024876 k( 306) = ( 0.0816327 -0.0586385 -0.0031112), wk = 0.0024876 k( 307) = ( 0.0918367 -0.0659683 -0.0035001), wk = 0.0024876 k( 308) = ( 0.1020408 -0.0732981 -0.0038890), wk = 0.0024876 k( 309) = ( 0.1122449 -0.0806279 -0.0042779), wk = 0.0024876 k( 310) = ( 0.1224490 -0.0879577 -0.0046668), wk = 0.0024876 k( 311) = ( 0.1326531 -0.0952875 -0.0050557), wk = 0.0024876 k( 312) = ( 0.1428571 -0.1026174 -0.0054446), wk = 0.0024876 k( 313) = ( 0.1530612 -0.1099472 -0.0058335), wk = 0.0024876 k( 314) = ( 0.1632653 -0.1172770 -0.0062224), wk = 0.0024876 k( 315) = ( 0.1734694 -0.1246068 -0.0066113), wk = 0.0024876 k( 316) = ( 0.1836735 -0.1319366 -0.0070002), wk = 0.0024876 k( 317) = ( 0.1938776 -0.1392664 -0.0073891), wk = 0.0024876 k( 318) = ( 0.2040816 -0.1465962 -0.0077780), wk = 0.0024876 k( 319) = ( 0.2142857 -0.1539260 -0.0081669), wk = 0.0024876 k( 320) = ( 0.2244898 -0.1612558 -0.0085558), wk = 0.0024876 k( 321) = ( 0.2346939 -0.1685857 -0.0089447), wk = 0.0024876 k( 322) = ( 0.2448980 -0.1759155 -0.0093336), wk = 0.0024876 k( 323) = ( 0.2551020 -0.1832453 -0.0097225), wk = 0.0024876 k( 324) = ( 0.2653061 -0.1905751 -0.0101114), wk = 0.0024876 k( 325) = ( 0.2755102 -0.1979049 -0.0105003), wk = 0.0024876 k( 326) = ( 0.2857143 -0.2052347 -0.0108892), wk = 0.0024876 k( 327) = ( 0.2959184 -0.2125645 -0.0112781), wk = 0.0024876 k( 328) = ( 0.3061224 -0.2198943 -0.0116670), wk = 0.0024876 k( 329) = ( 0.3163265 -0.2272241 -0.0120559), wk = 0.0024876 k( 330) = ( 0.3265306 -0.2345540 -0.0124448), wk = 0.0024876 k( 331) = ( 0.3367347 -0.2418838 -0.0128337), wk = 0.0024876 k( 332) = ( 0.3469388 -0.2492136 -0.0132226), wk = 0.0024876 k( 333) = ( 0.3571429 -0.2565434 -0.0136115), wk = 0.0024876 k( 334) = ( 0.3673469 -0.2638732 -0.0140003), wk = 0.0024876 k( 335) = ( 0.3775510 -0.2712030 -0.0143892), wk = 0.0024876 k( 336) = ( 0.3877551 -0.2785328 -0.0147781), wk = 0.0024876 k( 337) = ( 0.3979592 -0.2858626 -0.0151670), wk = 0.0024876 k( 338) = ( 0.4081633 -0.2931924 -0.0155559), wk = 0.0024876 k( 339) = ( 0.4183674 -0.3005223 -0.0159448), wk = 0.0024876 k( 340) = ( 0.4285714 -0.3078521 -0.0163337), wk = 0.0024876 k( 341) = ( 0.4387755 -0.3151819 -0.0167226), wk = 0.0024876 k( 342) = ( 0.4489796 -0.3225117 -0.0171115), wk = 0.0024876 k( 343) = ( 0.4591837 -0.3298415 -0.0175004), wk = 0.0024876 k( 344) = ( 0.4693878 -0.3371713 -0.0178893), wk = 0.0024876 k( 345) = ( 0.4795918 -0.3445011 -0.0182782), wk = 0.0024876 k( 346) = ( 0.4897959 -0.3518309 -0.0186671), wk = 0.0024876 k( 347) = ( 0.5000000 -0.3591607 -0.0190560), wk = 0.0024876 k( 348) = ( 0.5000000 -0.3591607 0.3031906), wk = 0.0024876 k( 349) = ( 0.4907407 -0.3525096 0.2975759), wk = 0.0024876 k( 350) = ( 0.4814815 -0.3458585 0.2919613), wk = 0.0024876 k( 351) = ( 0.4722222 -0.3392074 0.2863466), wk = 0.0024876 k( 352) = ( 0.4629630 -0.3325562 0.2807320), wk = 0.0024876 k( 353) = ( 0.4537037 -0.3259051 0.2751174), wk = 0.0024876 k( 354) = ( 0.4444444 -0.3192540 0.2695027), wk = 0.0024876 k( 355) = ( 0.4351852 -0.3126029 0.2638881), wk = 0.0024876 k( 356) = ( 0.4259259 -0.3059517 0.2582735), wk = 0.0024876 k( 357) = ( 0.4166667 -0.2993006 0.2526588), wk = 0.0024876 k( 358) = ( 0.4074074 -0.2926495 0.2470442), wk = 0.0024876 k( 359) = ( 0.3981481 -0.2859984 0.2414295), wk = 0.0024876 k( 360) = ( 0.3888889 -0.2793472 0.2358149), wk = 0.0024876 k( 361) = ( 0.3796296 -0.2726961 0.2302002), wk = 0.0024876 k( 362) = ( 0.3703704 -0.2660450 0.2245856), wk = 0.0024876 k( 363) = ( 0.3611111 -0.2593939 0.2189710), wk = 0.0024876 k( 364) = ( 0.3518519 -0.2527427 0.2133563), wk = 0.0024876 k( 365) = ( 0.3425926 -0.2460916 0.2077417), wk = 0.0024876 k( 366) = ( 0.3333333 -0.2394405 0.2021270), wk = 0.0024876 k( 367) = ( 0.3240741 -0.2327894 0.1965124), wk = 0.0024876 k( 368) = ( 0.3148148 -0.2261382 0.1908978), wk = 0.0024876 k( 369) = ( 0.3055556 -0.2194871 0.1852831), wk = 0.0024876 k( 370) = ( 0.2962963 -0.2128360 0.1796685), wk = 0.0024876 k( 371) = ( 0.2870370 -0.2061849 0.1740538), wk = 0.0024876 k( 372) = ( 0.2777778 -0.1995337 0.1684392), wk = 0.0024876 k( 373) = ( 0.2685185 -0.1928826 0.1628246), wk = 0.0024876 k( 374) = ( 0.2592593 -0.1862315 0.1572099), wk = 0.0024876 k( 375) = ( 0.2500000 -0.1795804 0.1515953), wk = 0.0024876 k( 376) = ( 0.2407407 -0.1729292 0.1459806), wk = 0.0024876 k( 377) = ( 0.2314815 -0.1662781 0.1403660), wk = 0.0024876 k( 378) = ( 0.2222222 -0.1596270 0.1347514), wk = 0.0024876 k( 379) = ( 0.2129630 -0.1529759 0.1291367), wk = 0.0024876 k( 380) = ( 0.2037037 -0.1463247 0.1235221), wk = 0.0024876 k( 381) = ( 0.1944444 -0.1396736 0.1179074), wk = 0.0024876 k( 382) = ( 0.1851852 -0.1330225 0.1122928), wk = 0.0024876 k( 383) = ( 0.1759259 -0.1263714 0.1066782), wk = 0.0024876 k( 384) = ( 0.1666667 -0.1197203 0.1010635), wk = 0.0024876 k( 385) = ( 0.1574074 -0.1130691 0.0954489), wk = 0.0024876 k( 386) = ( 0.1481482 -0.1064180 0.0898342), wk = 0.0024876 k( 387) = ( 0.1388889 -0.0997669 0.0842196), wk = 0.0024876 k( 388) = ( 0.1296296 -0.0931157 0.0786050), wk = 0.0024876 k( 389) = ( 0.1203704 -0.0864646 0.0729903), wk = 0.0024876 k( 390) = ( 0.1111111 -0.0798135 0.0673757), wk = 0.0024876 k( 391) = ( 0.1018518 -0.0731624 0.0617610), wk = 0.0024876 k( 392) = ( 0.0925926 -0.0665112 0.0561464), wk = 0.0024876 k( 393) = ( 0.0833333 -0.0598601 0.0505318), wk = 0.0024876 k( 394) = ( 0.0740741 -0.0532090 0.0449171), wk = 0.0024876 k( 395) = ( 0.0648148 -0.0465579 0.0393025), wk = 0.0024876 k( 396) = ( 0.0555556 -0.0399068 0.0336878), wk = 0.0024876 k( 397) = ( 0.0462963 -0.0332556 0.0280732), wk = 0.0024876 k( 398) = ( 0.0370370 -0.0266045 0.0224586), wk = 0.0024876 k( 399) = ( 0.0277778 -0.0199534 0.0168439), wk = 0.0024876 k( 400) = ( 0.0185185 -0.0133023 0.0112293), wk = 0.0024876 k( 401) = ( 0.0092593 -0.0066511 0.0056146), wk = 0.0024876 k( 402) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0024876 k( 3) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0024876 k( 4) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0024876 k( 5) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0024876 k( 6) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024876 k( 8) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0024876 k( 9) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0024876 k( 10) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024876 k( 11) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0024876 k( 12) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0024876 k( 13) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024876 k( 14) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0024876 k( 15) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0024876 k( 16) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024876 k( 17) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0024876 k( 18) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0024876 k( 19) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024876 k( 20) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0024876 k( 21) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0024876 k( 22) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024876 k( 23) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0024876 k( 24) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0024876 k( 25) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024876 k( 26) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0024876 k( 27) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0024876 k( 28) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024876 k( 29) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0024876 k( 30) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0024876 k( 31) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024876 k( 32) = ( 0.3444444 0.3444444 0.0000000), wk = 0.0024876 k( 33) = ( 0.3555556 0.3555556 0.0000000), wk = 0.0024876 k( 34) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024876 k( 35) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0024876 k( 36) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0024876 k( 37) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0024876 k( 38) = ( 0.4111111 0.4111111 -0.0000000), wk = 0.0024876 k( 39) = ( 0.4222222 0.4222222 0.0000000), wk = 0.0024876 k( 40) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024876 k( 41) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0024876 k( 42) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0024876 k( 43) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024876 k( 44) = ( 0.4777778 0.4777778 0.0000000), wk = 0.0024876 k( 45) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0024876 k( 46) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 47) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 48) = ( 0.5007455 0.5007455 0.0192562), wk = 0.0024876 k( 49) = ( 0.5014910 0.5014910 0.0385124), wk = 0.0024876 k( 50) = ( 0.5022365 0.5022365 0.0577686), wk = 0.0024876 k( 51) = ( 0.5029820 0.5029820 0.0770249), wk = 0.0024876 k( 52) = ( 0.5037275 0.5037275 0.0962811), wk = 0.0024876 k( 53) = ( 0.5044730 0.5044730 0.1155373), wk = 0.0024876 k( 54) = ( 0.5052185 0.5052185 0.1347935), wk = 0.0024876 k( 55) = ( 0.5059640 0.5059640 0.1540497), wk = 0.0024876 k( 56) = ( 0.5067095 0.5067095 0.1733060), wk = 0.0024876 k( 57) = ( 0.5074551 0.5074551 0.1925622), wk = 0.0024876 k( 58) = ( 0.5082006 0.5082006 0.2118184), wk = 0.0024876 k( 59) = ( 0.5089461 0.5089461 0.2310746), wk = 0.0024876 k( 60) = ( 0.5096916 0.5096916 0.2503308), wk = 0.0024876 k( 61) = ( 0.5104371 0.5104371 0.2695870), wk = 0.0024876 k( 62) = ( 0.5111826 0.5111826 0.2888433), wk = 0.0024876 k( 63) = ( 0.5119281 0.5119281 0.3080995), wk = 0.0024876 k( 64) = ( 0.5126736 0.5126736 0.3273557), wk = 0.0024876 k( 65) = ( 0.5134191 0.5134191 0.3466119), wk = 0.0024876 k( 66) = ( 0.5141646 0.5141646 0.3658681), wk = 0.0024876 k( 67) = ( 0.5149101 0.5149101 0.3851243), wk = 0.0024876 k( 68) = ( 0.5156556 0.5156556 0.4043806), wk = 0.0024876 k( 69) = ( 0.5164011 0.5164011 0.4236368), wk = 0.0024876 k( 70) = ( 0.5171466 0.5171466 0.4428930), wk = 0.0024876 k( 71) = ( 0.5171466 0.5171466 0.4428930), wk = 0.0024876 k( 72) = ( 0.5128600 0.5128600 0.4571697), wk = 0.0024876 k( 73) = ( 0.5085733 0.5085733 0.4714465), wk = 0.0024876 k( 74) = ( 0.5042867 0.5042867 0.4857232), wk = 0.0024876 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 77) = ( 0.5057284 0.4942716 0.5000000), wk = 0.0024876 k( 78) = ( 0.5114569 0.4885431 0.5000000), wk = 0.0024876 k( 79) = ( 0.5171854 0.4828146 0.5000000), wk = 0.0024876 k( 80) = ( 0.5229138 0.4770862 0.5000000), wk = 0.0024876 k( 81) = ( 0.5286423 0.4713577 0.5000000), wk = 0.0024876 k( 82) = ( 0.5343707 0.4656293 0.5000000), wk = 0.0024876 k( 83) = ( 0.5400992 0.4599008 0.5000000), wk = 0.0024876 k( 84) = ( 0.5458276 0.4541724 0.5000000), wk = 0.0024876 k( 85) = ( 0.5515561 0.4484439 0.5000000), wk = 0.0024876 k( 86) = ( 0.5572845 0.4427155 0.5000000), wk = 0.0024876 k( 87) = ( 0.5630130 0.4369870 0.5000000), wk = 0.0024876 k( 88) = ( 0.5687414 0.4312586 0.5000000), wk = 0.0024876 k( 89) = ( 0.5744699 0.4255301 0.5000000), wk = 0.0024876 k( 90) = ( 0.5801983 0.4198017 0.5000000), wk = 0.0024876 k( 91) = ( 0.5859268 0.4140732 0.5000000), wk = 0.0024876 k( 92) = ( 0.5916552 0.4083447 0.5000000), wk = 0.0024876 k( 93) = ( 0.5973837 0.4026163 0.5000000), wk = 0.0024876 k( 94) = ( 0.6031122 0.3968878 0.5000000), wk = 0.0024876 k( 95) = ( 0.6088406 0.3911594 0.5000000), wk = 0.0024876 k( 96) = ( 0.6145691 0.3854309 0.5000000), wk = 0.0024876 k( 97) = ( 0.6202975 0.3797025 0.5000000), wk = 0.0024876 k( 98) = ( 0.6260260 0.3739740 0.5000000), wk = 0.0024876 k( 99) = ( 0.6317544 0.3682456 0.5000000), wk = 0.0024876 k( 100) = ( 0.6374829 0.3625171 0.5000000), wk = 0.0024876 k( 101) = ( 0.6432113 0.3567887 0.5000000), wk = 0.0024876 k( 102) = ( 0.6489398 0.3510602 0.5000000), wk = 0.0024876 k( 103) = ( 0.6546682 0.3453318 0.5000000), wk = 0.0024876 k( 104) = ( 0.6603967 0.3396033 0.5000000), wk = 0.0024876 k( 105) = ( 0.6661251 0.3338749 0.5000000), wk = 0.0024876 k( 106) = ( 0.6718536 0.3281464 0.5000000), wk = 0.0024876 k( 107) = ( 0.6775821 0.3224180 0.5000000), wk = 0.0024876 k( 108) = ( 0.6833105 0.3166895 0.5000000), wk = 0.0024876 k( 109) = ( 0.6890390 0.3109610 0.5000000), wk = 0.0024876 k( 110) = ( 0.3109610 -0.3109610 0.5000000), wk = 0.0024876 k( 111) = ( 0.3052025 -0.3052025 0.5000000), wk = 0.0024876 k( 112) = ( 0.2994440 -0.2994440 0.5000000), wk = 0.0024876 k( 113) = ( 0.2936854 -0.2936854 0.5000000), wk = 0.0024876 k( 114) = ( 0.2879269 -0.2879269 0.5000000), wk = 0.0024876 k( 115) = ( 0.2821684 -0.2821684 0.5000000), wk = 0.0024876 k( 116) = ( 0.2764098 -0.2764098 0.5000000), wk = 0.0024876 k( 117) = ( 0.2706513 -0.2706513 0.5000000), wk = 0.0024876 k( 118) = ( 0.2648927 -0.2648927 0.5000000), wk = 0.0024876 k( 119) = ( 0.2591342 -0.2591342 0.5000000), wk = 0.0024876 k( 120) = ( 0.2533757 -0.2533757 0.5000000), wk = 0.0024876 k( 121) = ( 0.2476171 -0.2476171 0.5000000), wk = 0.0024876 k( 122) = ( 0.2418586 -0.2418586 0.5000000), wk = 0.0024876 k( 123) = ( 0.2361001 -0.2361000 0.5000000), wk = 0.0024876 k( 124) = ( 0.2303415 -0.2303415 0.5000000), wk = 0.0024876 k( 125) = ( 0.2245830 -0.2245830 0.5000000), wk = 0.0024876 k( 126) = ( 0.2188244 -0.2188244 0.5000000), wk = 0.0024876 k( 127) = ( 0.2130659 -0.2130659 0.5000000), wk = 0.0024876 k( 128) = ( 0.2073074 -0.2073074 0.5000000), wk = 0.0024876 k( 129) = ( 0.2015488 -0.2015488 0.5000000), wk = 0.0024876 k( 130) = ( 0.1957903 -0.1957903 0.5000000), wk = 0.0024876 k( 131) = ( 0.1900317 -0.1900318 0.5000000), wk = 0.0024876 k( 132) = ( 0.1842732 -0.1842732 0.5000000), wk = 0.0024876 k( 133) = ( 0.1785147 -0.1785147 0.5000000), wk = 0.0024876 k( 134) = ( 0.1727561 -0.1727561 0.5000000), wk = 0.0024876 k( 135) = ( 0.1669976 -0.1669976 0.5000000), wk = 0.0024876 k( 136) = ( 0.1612391 -0.1612391 0.5000000), wk = 0.0024876 k( 137) = ( 0.1554805 -0.1554805 0.5000000), wk = 0.0024876 k( 138) = ( 0.1497220 -0.1497220 0.5000000), wk = 0.0024876 k( 139) = ( 0.1439634 -0.1439634 0.5000000), wk = 0.0024876 k( 140) = ( 0.1382049 -0.1382049 0.5000000), wk = 0.0024876 k( 141) = ( 0.1324464 -0.1324464 0.5000000), wk = 0.0024876 k( 142) = ( 0.1266878 -0.1266878 0.5000000), wk = 0.0024876 k( 143) = ( 0.1209293 -0.1209293 0.5000000), wk = 0.0024876 k( 144) = ( 0.1151708 -0.1151708 0.5000000), wk = 0.0024876 k( 145) = ( 0.1094122 -0.1094122 0.5000000), wk = 0.0024876 k( 146) = ( 0.1036537 -0.1036537 0.5000000), wk = 0.0024876 k( 147) = ( 0.0978951 -0.0978951 0.5000000), wk = 0.0024876 k( 148) = ( 0.0921366 -0.0921366 0.5000000), wk = 0.0024876 k( 149) = ( 0.0863781 -0.0863781 0.5000000), wk = 0.0024876 k( 150) = ( 0.0806195 -0.0806195 0.5000000), wk = 0.0024876 k( 151) = ( 0.0748610 -0.0748610 0.5000000), wk = 0.0024876 k( 152) = ( 0.0691024 -0.0691024 0.5000000), wk = 0.0024876 k( 153) = ( 0.0633439 -0.0633439 0.5000000), wk = 0.0024876 k( 154) = ( 0.0575854 -0.0575854 0.5000000), wk = 0.0024876 k( 155) = ( 0.0518268 -0.0518268 0.5000000), wk = 0.0024876 k( 156) = ( 0.0460683 -0.0460683 0.5000000), wk = 0.0024876 k( 157) = ( 0.0403098 -0.0403098 0.5000000), wk = 0.0024876 k( 158) = ( 0.0345512 -0.0345512 0.5000000), wk = 0.0024876 k( 159) = ( 0.0287927 -0.0287927 0.5000000), wk = 0.0024876 k( 160) = ( 0.0230341 -0.0230342 0.5000000), wk = 0.0024876 k( 161) = ( 0.0172756 -0.0172756 0.5000000), wk = 0.0024876 k( 162) = ( 0.0115171 -0.0115171 0.5000000), wk = 0.0024876 k( 163) = ( 0.0057585 -0.0057585 0.5000000), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 166) = ( 0.0112292 0.0112292 0.5013281), wk = 0.0024876 k( 167) = ( 0.0224583 0.0224583 0.5026561), wk = 0.0024876 k( 168) = ( 0.0336874 0.0336874 0.5039842), wk = 0.0024876 k( 169) = ( 0.0449166 0.0449166 0.5053123), wk = 0.0024876 k( 170) = ( 0.0561457 0.0561457 0.5066403), wk = 0.0024876 k( 171) = ( 0.0673749 0.0673749 0.5079684), wk = 0.0024876 k( 172) = ( 0.0786040 0.0786040 0.5092965), wk = 0.0024876 k( 173) = ( 0.0898332 0.0898332 0.5106246), wk = 0.0024876 k( 174) = ( 0.1010623 0.1010623 0.5119526), wk = 0.0024876 k( 175) = ( 0.1122915 0.1122915 0.5132807), wk = 0.0024876 k( 176) = ( 0.1235206 0.1235206 0.5146088), wk = 0.0024876 k( 177) = ( 0.1347498 0.1347498 0.5159368), wk = 0.0024876 k( 178) = ( 0.1459789 0.1459789 0.5172649), wk = 0.0024876 k( 179) = ( 0.1572081 0.1572081 0.5185930), wk = 0.0024876 k( 180) = ( 0.1684372 0.1684372 0.5199210), wk = 0.0024876 k( 181) = ( 0.1796664 0.1796664 0.5212491), wk = 0.0024876 k( 182) = ( 0.1908955 0.1908955 0.5225772), wk = 0.0024876 k( 183) = ( 0.2021247 0.2021247 0.5239053), wk = 0.0024876 k( 184) = ( 0.2133538 0.2133538 0.5252333), wk = 0.0024876 k( 185) = ( 0.2245830 0.2245830 0.5265614), wk = 0.0024876 k( 186) = ( 0.2358121 0.2358121 0.5278895), wk = 0.0024876 k( 187) = ( 0.2470413 0.2470413 0.5292175), wk = 0.0024876 k( 188) = ( 0.2582704 0.2582704 0.5305456), wk = 0.0024876 k( 189) = ( 0.2694995 0.2694995 0.5318737), wk = 0.0024876 k( 190) = ( 0.2807287 0.2807287 0.5332017), wk = 0.0024876 k( 191) = ( 0.2919579 0.2919579 0.5345298), wk = 0.0024876 k( 192) = ( 0.3031870 0.3031870 0.5358579), wk = 0.0024876 k( 193) = ( 0.3144161 0.3144161 0.5371860), wk = 0.0024876 k( 194) = ( 0.3256453 0.3256453 0.5385140), wk = 0.0024876 k( 195) = ( 0.3368744 0.3368744 0.5398421), wk = 0.0024876 k( 196) = ( 0.3481036 0.3481036 0.5411702), wk = 0.0024876 k( 197) = ( 0.3593327 0.3593327 0.5424982), wk = 0.0024876 k( 198) = ( 0.3705619 0.3705619 0.5438263), wk = 0.0024876 k( 199) = ( 0.3817910 0.3817910 0.5451544), wk = 0.0024876 k( 200) = ( 0.3930202 0.3930202 0.5464824), wk = 0.0024876 k( 201) = ( 0.4042493 0.4042493 0.5478105), wk = 0.0024876 k( 202) = ( 0.4154785 0.4154785 0.5491386), wk = 0.0024876 k( 203) = ( 0.4267076 0.4267076 0.5504666), wk = 0.0024876 k( 204) = ( 0.4379368 0.4379368 0.5517947), wk = 0.0024876 k( 205) = ( 0.4491659 0.4491659 0.5531228), wk = 0.0024876 k( 206) = ( 0.4603951 0.4603951 0.5544509), wk = 0.0024876 k( 207) = ( 0.4716242 0.4716242 0.5557789), wk = 0.0024876 k( 208) = ( 0.4828534 0.4828534 0.5571070), wk = 0.0024876 k( 209) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 210) = ( 0.5057476 0.4942524 -0.0000000), wk = 0.0024876 k( 211) = ( 0.5114952 0.4885048 0.0000000), wk = 0.0024876 k( 212) = ( 0.5172427 0.4827573 0.0000000), wk = 0.0024876 k( 213) = ( 0.5229903 0.4770097 -0.0000000), wk = 0.0024876 k( 214) = ( 0.5287379 0.4712621 0.0000000), wk = 0.0024876 k( 215) = ( 0.5344855 0.4655145 -0.0000000), wk = 0.0024876 k( 216) = ( 0.5402331 0.4597669 0.0000000), wk = 0.0024876 k( 217) = ( 0.5459806 0.4540194 0.0000000), wk = 0.0024876 k( 218) = ( 0.5517282 0.4482718 0.0000000), wk = 0.0024876 k( 219) = ( 0.5574758 0.4425242 -0.0000000), wk = 0.0024876 k( 220) = ( 0.5632234 0.4367766 0.0000000), wk = 0.0024876 k( 221) = ( 0.5689710 0.4310290 0.0000000), wk = 0.0024876 k( 222) = ( 0.5747185 0.4252815 0.0000000), wk = 0.0024876 k( 223) = ( 0.5804661 0.4195339 -0.0000000), wk = 0.0024876 k( 224) = ( 0.5862137 0.4137863 -0.0000000), wk = 0.0024876 k( 225) = ( 0.5919613 0.4080387 0.0000000), wk = 0.0024876 k( 226) = ( 0.5977089 0.4022911 -0.0000000), wk = 0.0024876 k( 227) = ( 0.6034565 0.3965436 0.0000000), wk = 0.0024876 k( 228) = ( 0.6092040 0.3907960 0.0000000), wk = 0.0024876 k( 229) = ( 0.6149516 0.3850484 0.0000000), wk = 0.0024876 k( 230) = ( 0.6206992 0.3793008 -0.0000000), wk = 0.0024876 k( 231) = ( 0.6264468 0.3735532 0.0000000), wk = 0.0024876 k( 232) = ( 0.6321944 0.3678056 0.0000000), wk = 0.0024876 k( 233) = ( 0.6379419 0.3620581 0.0000000), wk = 0.0024876 k( 234) = ( 0.6436895 0.3563105 -0.0000000), wk = 0.0024876 k( 235) = ( 0.6494371 0.3505629 -0.0000000), wk = 0.0024876 k( 236) = ( 0.6551847 0.3448153 0.0000000), wk = 0.0024876 k( 237) = ( 0.6609322 0.3390678 0.0000000), wk = 0.0024876 k( 238) = ( 0.6666798 0.3333202 0.0000000), wk = 0.0024876 k( 239) = ( 0.6724274 0.3275726 -0.0000000), wk = 0.0024876 k( 240) = ( 0.6781750 0.3218250 -0.0000000), wk = 0.0024876 k( 241) = ( 0.6839226 0.3160774 0.0000000), wk = 0.0024876 k( 242) = ( 0.3160774 -0.3160774 -0.0000000), wk = 0.0024876 k( 243) = ( 0.3103306 -0.3103306 -0.0000000), wk = 0.0024876 k( 244) = ( 0.3045837 -0.3045837 -0.0000000), wk = 0.0024876 k( 245) = ( 0.2988368 -0.2988368 -0.0000000), wk = 0.0024876 k( 246) = ( 0.2930900 -0.2930900 -0.0000000), wk = 0.0024876 k( 247) = ( 0.2873431 -0.2873431 0.0000000), wk = 0.0024876 k( 248) = ( 0.2815963 -0.2815963 -0.0000000), wk = 0.0024876 k( 249) = ( 0.2758494 -0.2758494 -0.0000000), wk = 0.0024876 k( 250) = ( 0.2701025 -0.2701025 -0.0000000), wk = 0.0024876 k( 251) = ( 0.2643557 -0.2643557 -0.0000000), wk = 0.0024876 k( 252) = ( 0.2586088 -0.2586088 0.0000000), wk = 0.0024876 k( 253) = ( 0.2528619 -0.2528619 -0.0000000), wk = 0.0024876 k( 254) = ( 0.2471151 -0.2471151 0.0000000), wk = 0.0024876 k( 255) = ( 0.2413682 -0.2413682 -0.0000000), wk = 0.0024876 k( 256) = ( 0.2356214 -0.2356214 -0.0000000), wk = 0.0024876 k( 257) = ( 0.2298745 -0.2298745 -0.0000000), wk = 0.0024876 k( 258) = ( 0.2241276 -0.2241276 -0.0000000), wk = 0.0024876 k( 259) = ( 0.2183808 -0.2183808 -0.0000000), wk = 0.0024876 k( 260) = ( 0.2126339 -0.2126339 -0.0000000), wk = 0.0024876 k( 261) = ( 0.2068870 -0.2068870 -0.0000000), wk = 0.0024876 k( 262) = ( 0.2011402 -0.2011402 -0.0000000), wk = 0.0024876 k( 263) = ( 0.1953933 -0.1953933 -0.0000000), wk = 0.0024876 k( 264) = ( 0.1896465 -0.1896465 -0.0000000), wk = 0.0024876 k( 265) = ( 0.1838996 -0.1838996 -0.0000000), wk = 0.0024876 k( 266) = ( 0.1781527 -0.1781527 -0.0000000), wk = 0.0024876 k( 267) = ( 0.1724059 -0.1724059 -0.0000000), wk = 0.0024876 k( 268) = ( 0.1666590 -0.1666590 -0.0000000), wk = 0.0024876 k( 269) = ( 0.1609122 -0.1609121 -0.0000000), wk = 0.0024876 k( 270) = ( 0.1551653 -0.1551653 -0.0000000), wk = 0.0024876 k( 271) = ( 0.1494184 -0.1494184 -0.0000000), wk = 0.0024876 k( 272) = ( 0.1436716 -0.1436716 0.0000000), wk = 0.0024876 k( 273) = ( 0.1379247 -0.1379247 -0.0000000), wk = 0.0024876 k( 274) = ( 0.1321778 -0.1321778 -0.0000000), wk = 0.0024876 k( 275) = ( 0.1264310 -0.1264310 -0.0000000), wk = 0.0024876 k( 276) = ( 0.1206841 -0.1206841 -0.0000000), wk = 0.0024876 k( 277) = ( 0.1149373 -0.1149372 0.0000000), wk = 0.0024876 k( 278) = ( 0.1091904 -0.1091904 0.0000000), wk = 0.0024876 k( 279) = ( 0.1034435 -0.1034435 -0.0000000), wk = 0.0024876 k( 280) = ( 0.0976967 -0.0976967 -0.0000000), wk = 0.0024876 k( 281) = ( 0.0919498 -0.0919498 -0.0000000), wk = 0.0024876 k( 282) = ( 0.0862029 -0.0862029 -0.0000000), wk = 0.0024876 k( 283) = ( 0.0804561 -0.0804561 -0.0000000), wk = 0.0024876 k( 284) = ( 0.0747092 -0.0747092 -0.0000000), wk = 0.0024876 k( 285) = ( 0.0689624 -0.0689624 -0.0000000), wk = 0.0024876 k( 286) = ( 0.0632155 -0.0632155 -0.0000000), wk = 0.0024876 k( 287) = ( 0.0574686 -0.0574686 -0.0000000), wk = 0.0024876 k( 288) = ( 0.0517218 -0.0517218 -0.0000000), wk = 0.0024876 k( 289) = ( 0.0459749 -0.0459749 -0.0000000), wk = 0.0024876 k( 290) = ( 0.0402280 -0.0402280 -0.0000000), wk = 0.0024876 k( 291) = ( 0.0344812 -0.0344812 -0.0000000), wk = 0.0024876 k( 292) = ( 0.0287343 -0.0287343 -0.0000000), wk = 0.0024876 k( 293) = ( 0.0229874 -0.0229874 -0.0000000), wk = 0.0024876 k( 294) = ( 0.0172406 -0.0172406 -0.0000000), wk = 0.0024876 k( 295) = ( 0.0114937 -0.0114937 -0.0000000), wk = 0.0024876 k( 296) = ( 0.0057469 -0.0057469 -0.0000000), wk = 0.0024876 k( 297) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 298) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 299) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0024876 k( 300) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0024876 k( 301) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0024876 k( 302) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0024876 k( 303) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0024876 k( 304) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0024876 k( 305) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0024876 k( 306) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0024876 k( 307) = ( 0.0918367 0.0000000 -0.0000000), wk = 0.0024876 k( 308) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0024876 k( 309) = ( 0.1122449 0.0000000 -0.0000000), wk = 0.0024876 k( 310) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0024876 k( 311) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0024876 k( 312) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0024876 k( 313) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0024876 k( 314) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0024876 k( 315) = ( 0.1734694 -0.0000000 0.0000000), wk = 0.0024876 k( 316) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0024876 k( 317) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0024876 k( 318) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0024876 k( 319) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0024876 k( 320) = ( 0.2244898 0.0000000 -0.0000000), wk = 0.0024876 k( 321) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0024876 k( 322) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0024876 k( 323) = ( 0.2551020 0.0000000 -0.0000000), wk = 0.0024876 k( 324) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0024876 k( 325) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0024876 k( 326) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0024876 k( 327) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0024876 k( 328) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0024876 k( 329) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0024876 k( 330) = ( 0.3265306 0.0000000 -0.0000000), wk = 0.0024876 k( 331) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0024876 k( 332) = ( 0.3469388 -0.0000000 0.0000000), wk = 0.0024876 k( 333) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0024876 k( 334) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0024876 k( 335) = ( 0.3775510 0.0000000 -0.0000000), wk = 0.0024876 k( 336) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0024876 k( 337) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0024876 k( 338) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0024876 k( 339) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0024876 k( 340) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0024876 k( 341) = ( 0.4387755 -0.0000000 0.0000000), wk = 0.0024876 k( 342) = ( 0.4489796 0.0000000 -0.0000000), wk = 0.0024876 k( 343) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0024876 k( 344) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0024876 k( 345) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0024876 k( 346) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0024876 k( 347) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024876 k( 348) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024876 k( 349) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0024876 k( 350) = ( 0.4814815 0.0000000 0.4814815), wk = 0.0024876 k( 351) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0024876 k( 352) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0024876 k( 353) = ( 0.4537037 -0.0000000 0.4537037), wk = 0.0024876 k( 354) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0024876 k( 355) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0024876 k( 356) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0024876 k( 357) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0024876 k( 358) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0024876 k( 359) = ( 0.3981481 0.0000000 0.3981481), wk = 0.0024876 k( 360) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0024876 k( 361) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0024876 k( 362) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0024876 k( 363) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0024876 k( 364) = ( 0.3518519 -0.0000000 0.3518518), wk = 0.0024876 k( 365) = ( 0.3425926 -0.0000000 0.3425926), wk = 0.0024876 k( 366) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0024876 k( 367) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0024876 k( 368) = ( 0.3148148 -0.0000000 0.3148148), wk = 0.0024876 k( 369) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0024876 k( 370) = ( 0.2962963 0.0000000 0.2962963), wk = 0.0024876 k( 371) = ( 0.2870370 -0.0000000 0.2870370), wk = 0.0024876 k( 372) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0024876 k( 373) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0024876 k( 374) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0024876 k( 375) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024876 k( 376) = ( 0.2407407 0.0000000 0.2407407), wk = 0.0024876 k( 377) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0024876 k( 378) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0024876 k( 379) = ( 0.2129630 0.0000000 0.2129630), wk = 0.0024876 k( 380) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0024876 k( 381) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0024876 k( 382) = ( 0.1851852 0.0000000 0.1851852), wk = 0.0024876 k( 383) = ( 0.1759259 0.0000000 0.1759259), wk = 0.0024876 k( 384) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0024876 k( 385) = ( 0.1574074 0.0000000 0.1574074), wk = 0.0024876 k( 386) = ( 0.1481482 0.0000000 0.1481482), wk = 0.0024876 k( 387) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0024876 k( 388) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0024876 k( 389) = ( 0.1203704 0.0000000 0.1203704), wk = 0.0024876 k( 390) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0024876 k( 391) = ( 0.1018518 -0.0000000 0.1018518), wk = 0.0024876 k( 392) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0024876 k( 393) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0024876 k( 394) = ( 0.0740741 0.0000000 0.0740741), wk = 0.0024876 k( 395) = ( 0.0648148 0.0000000 0.0648148), wk = 0.0024876 k( 396) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0024876 k( 397) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0024876 k( 398) = ( 0.0370370 0.0000000 0.0370370), wk = 0.0024876 k( 399) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0024876 k( 400) = ( 0.0185185 0.0000000 0.0185185), wk = 0.0024876 k( 401) = ( 0.0092593 0.0000000 0.0092593), wk = 0.0024876 k( 402) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 Dense grid: 52583 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 370, 36) NL pseudopotentials 0.18 Mb ( 185, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1464) G-vector shells 0.01 Mb ( 1418) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 370, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 62, 2, 36) The potential is recalculated from file : ./CrBr2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.7 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.7 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.1 secs Computing kpt #: 24 total cpu time spent up to now is 8.4 secs Computing kpt #: 25 total cpu time spent up to now is 8.6 secs Computing kpt #: 26 total cpu time spent up to now is 8.9 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.1 secs Computing kpt #: 32 total cpu time spent up to now is 10.4 secs Computing kpt #: 33 total cpu time spent up to now is 10.6 secs Computing kpt #: 34 total cpu time spent up to now is 10.9 secs Computing kpt #: 35 total cpu time spent up to now is 11.2 secs Computing kpt #: 36 total cpu time spent up to now is 11.4 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 11.9 secs Computing kpt #: 39 total cpu time spent up to now is 12.2 secs Computing kpt #: 40 total cpu time spent up to now is 12.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.0 secs Computing kpt #: 42 total cpu time spent up to now is 13.3 secs Computing kpt #: 43 total cpu time spent up to now is 13.5 secs Computing kpt #: 44 total cpu time spent up to now is 13.8 secs Computing kpt #: 45 total cpu time spent up to now is 14.1 secs Computing kpt #: 46 total cpu time spent up to now is 14.3 secs Computing kpt #: 47 total cpu time spent up to now is 14.6 secs Computing kpt #: 48 total cpu time spent up to now is 14.8 secs Computing kpt #: 49 total cpu time spent up to now is 15.1 secs Computing kpt #: 50 total cpu time spent up to now is 15.4 secs Computing kpt #: 51 total cpu time spent up to now is 15.7 secs Computing kpt #: 52 total cpu time spent up to now is 15.9 secs Computing kpt #: 53 total cpu time spent up to now is 16.2 secs Computing kpt #: 54 total cpu time spent up to now is 16.4 secs Computing kpt #: 55 total cpu time spent up to now is 16.7 secs Computing kpt #: 56 total cpu time spent up to now is 17.0 secs Computing kpt #: 57 total cpu time spent up to now is 17.2 secs Computing kpt #: 58 total cpu time spent up to now is 17.5 secs Computing kpt #: 59 total cpu time spent up to now is 17.7 secs Computing kpt #: 60 total cpu time spent up to now is 18.0 secs Computing kpt #: 61 total cpu time spent up to now is 18.2 secs Computing kpt #: 62 total cpu time spent up to now is 18.5 secs Computing kpt #: 63 total cpu time spent up to now is 18.8 secs Computing kpt #: 64 total cpu time spent up to now is 19.0 secs Computing kpt #: 65 total cpu time spent up to now is 19.3 secs Computing kpt #: 66 total cpu time spent up to now is 19.5 secs Computing kpt #: 67 total cpu time spent up to now is 19.8 secs Computing kpt #: 68 total cpu time spent up to now is 20.0 secs Computing kpt #: 69 total cpu time spent up to now is 20.3 secs Computing kpt #: 70 total cpu time spent up to now is 20.5 secs Computing kpt #: 71 total cpu time spent up to now is 20.8 secs Computing kpt #: 72 total cpu time spent up to now is 21.0 secs Computing kpt #: 73 total cpu time spent up to now is 21.3 secs Computing kpt #: 74 total cpu time spent up to now is 21.6 secs Computing kpt #: 75 total cpu time spent up to now is 21.9 secs Computing kpt #: 76 total cpu time spent up to now is 22.2 secs Computing kpt #: 77 total cpu time spent up to now is 22.4 secs Computing kpt #: 78 total cpu time spent up to now is 22.7 secs Computing kpt #: 79 total cpu time spent up to now is 22.9 secs Computing kpt #: 80 total cpu time spent up to now is 23.2 secs Computing kpt #: 81 total cpu time spent up to now is 23.4 secs Computing kpt #: 82 total cpu time spent up to now is 23.7 secs Computing kpt #: 83 total cpu time spent up to now is 24.1 secs Computing kpt #: 84 total cpu time spent up to now is 24.4 secs Computing kpt #: 85 total cpu time spent up to now is 24.7 secs Computing kpt #: 86 total cpu time spent up to now is 25.0 secs Computing kpt #: 87 total cpu time spent up to now is 25.3 secs Computing kpt #: 88 total cpu time spent up to now is 25.6 secs Computing kpt #: 89 total cpu time spent up to now is 25.9 secs Computing kpt #: 90 total cpu time spent up to now is 26.2 secs Computing kpt #: 91 total cpu time spent up to now is 26.5 secs Computing kpt #: 92 total cpu time spent up to now is 26.9 secs Computing kpt #: 93 total cpu time spent up to now is 27.2 secs Computing kpt #: 94 total cpu time spent up to now is 27.5 secs Computing kpt #: 95 total cpu time spent up to now is 27.9 secs Computing kpt #: 96 total cpu time spent up to now is 28.2 secs Computing kpt #: 97 total cpu time spent up to now is 28.5 secs Computing kpt #: 98 total cpu time spent up to now is 28.9 secs Computing kpt #: 99 total cpu time spent up to now is 29.2 secs Computing kpt #: 100 total cpu time spent up to now is 29.5 secs Computing kpt #: 101 total cpu time spent up to now is 29.8 secs Computing kpt #: 102 total cpu time spent up to now is 30.1 secs Computing kpt #: 103 total cpu time spent up to now is 30.5 secs Computing kpt #: 104 total cpu time spent up to now is 30.8 secs Computing kpt #: 105 total cpu time spent up to now is 31.2 secs Computing kpt #: 106 total cpu time spent up to now is 31.5 secs Computing kpt #: 107 total cpu time spent up to now is 31.8 secs Computing kpt #: 108 total cpu time spent up to now is 32.1 secs Computing kpt #: 109 total cpu time spent up to now is 32.4 secs Computing kpt #: 110 total cpu time spent up to now is 32.8 secs Computing kpt #: 111 total cpu time spent up to now is 33.1 secs Computing kpt #: 112 total cpu time spent up to now is 33.3 secs Computing kpt #: 113 total cpu time spent up to now is 33.6 secs Computing kpt #: 114 total cpu time spent up to now is 33.8 secs Computing kpt #: 115 total cpu time spent up to now is 34.1 secs Computing kpt #: 116 total cpu time spent up to now is 34.3 secs Computing kpt #: 117 total cpu time spent up to now is 34.6 secs Computing kpt #: 118 total cpu time spent up to now is 34.8 secs Computing kpt #: 119 total cpu time spent up to now is 35.1 secs Computing kpt #: 120 total cpu time spent up to now is 35.3 secs Computing kpt #: 121 total cpu time spent up to now is 35.6 secs Computing kpt #: 122 total cpu time spent up to now is 35.8 secs Computing kpt #: 123 total cpu time spent up to now is 36.1 secs Computing kpt #: 124 total cpu time spent up to now is 36.3 secs Computing kpt #: 125 total cpu time spent up to now is 36.6 secs Computing kpt #: 126 total cpu time spent up to now is 36.8 secs Computing kpt #: 127 total cpu time spent up to now is 37.1 secs Computing kpt #: 128 total cpu time spent up to now is 37.3 secs Computing kpt #: 129 total cpu time spent up to now is 37.5 secs Computing kpt #: 130 total cpu time spent up to now is 37.8 secs Computing kpt #: 131 total cpu time spent up to now is 38.0 secs Computing kpt #: 132 total cpu time spent up to now is 38.3 secs Computing kpt #: 133 total cpu time spent up to now is 38.5 secs Computing kpt #: 134 total cpu time spent up to now is 38.8 secs Computing kpt #: 135 total cpu time spent up to now is 39.0 secs Computing kpt #: 136 total cpu time spent up to now is 39.3 secs Computing kpt #: 137 total cpu time spent up to now is 39.5 secs Computing kpt #: 138 total cpu time spent up to now is 39.8 secs Computing kpt #: 139 total cpu time spent up to now is 40.0 secs Computing kpt #: 140 total cpu time spent up to now is 40.3 secs Computing kpt #: 141 total cpu time spent up to now is 40.6 secs Computing kpt #: 142 total cpu time spent up to now is 40.9 secs Computing kpt #: 143 total cpu time spent up to now is 41.2 secs Computing kpt #: 144 total cpu time spent up to now is 41.5 secs Computing kpt #: 145 total cpu time spent up to now is 41.8 secs Computing kpt #: 146 total cpu time spent up to now is 42.1 secs Computing kpt #: 147 total cpu time spent up to now is 42.4 secs Computing kpt #: 148 total cpu time spent up to now is 42.7 secs Computing kpt #: 149 total cpu time spent up to now is 43.0 secs Computing kpt #: 150 total cpu time spent up to now is 43.4 secs Computing kpt #: 151 total cpu time spent up to now is 43.7 secs Computing kpt #: 152 total cpu time spent up to now is 44.0 secs Computing kpt #: 153 total cpu time spent up to now is 44.3 secs Computing kpt #: 154 total cpu time spent up to now is 44.6 secs Computing kpt #: 155 total cpu time spent up to now is 44.9 secs Computing kpt #: 156 total cpu time spent up to now is 45.2 secs Computing kpt #: 157 total cpu time spent up to now is 45.6 secs Computing kpt #: 158 total cpu time spent up to now is 45.9 secs Computing kpt #: 159 total cpu time spent up to now is 46.2 secs Computing kpt #: 160 total cpu time spent up to now is 46.5 secs Computing kpt #: 161 total cpu time spent up to now is 46.8 secs Computing kpt #: 162 total cpu time spent up to now is 47.1 secs Computing kpt #: 163 total cpu time spent up to now is 47.5 secs Computing kpt #: 164 total cpu time spent up to now is 47.8 secs Computing kpt #: 165 total cpu time spent up to now is 48.1 secs Computing kpt #: 166 total cpu time spent up to now is 48.4 secs Computing kpt #: 167 total cpu time spent up to now is 48.7 secs Computing kpt #: 168 total cpu time spent up to now is 49.0 secs Computing kpt #: 169 total cpu time spent up to now is 49.3 secs Computing kpt #: 170 total cpu time spent up to now is 49.7 secs Computing kpt #: 171 total cpu time spent up to now is 50.0 secs Computing kpt #: 172 total cpu time spent up to now is 50.3 secs Computing kpt #: 173 total cpu time spent up to now is 50.6 secs Computing kpt #: 174 total cpu time spent up to now is 50.9 secs Computing kpt #: 175 total cpu time spent up to now is 51.2 secs Computing kpt #: 176 total cpu time spent up to now is 51.5 secs Computing kpt #: 177 total cpu time spent up to now is 51.8 secs Computing kpt #: 178 total cpu time spent up to now is 52.1 secs Computing kpt #: 179 total cpu time spent up to now is 52.4 secs Computing kpt #: 180 total cpu time spent up to now is 52.7 secs Computing kpt #: 181 total cpu time spent up to now is 53.0 secs Computing kpt #: 182 total cpu time spent up to now is 53.2 secs Computing kpt #: 183 total cpu time spent up to now is 53.5 secs Computing kpt #: 184 total cpu time spent up to now is 53.8 secs Computing kpt #: 185 total cpu time spent up to now is 54.0 secs Computing kpt #: 186 total cpu time spent up to now is 54.3 secs Computing kpt #: 187 total cpu time spent up to now is 54.5 secs Computing kpt #: 188 total cpu time spent up to now is 54.8 secs Computing kpt #: 189 total cpu time spent up to now is 55.1 secs Computing kpt #: 190 total cpu time spent up to now is 55.3 secs Computing kpt #: 191 total cpu time spent up to now is 55.6 secs Computing kpt #: 192 total cpu time spent up to now is 55.9 secs Computing kpt #: 193 total cpu time spent up to now is 56.1 secs Computing kpt #: 194 total cpu time spent up to now is 56.4 secs Computing kpt #: 195 total cpu time spent up to now is 56.6 secs Computing kpt #: 196 total cpu time spent up to now is 56.9 secs Computing kpt #: 197 total cpu time spent up to now is 57.2 secs Computing kpt #: 198 total cpu time spent up to now is 57.4 secs Computing kpt #: 199 total cpu time spent up to now is 57.7 secs Computing kpt #: 200 total cpu time spent up to now is 58.0 secs Computing kpt #: 201 total cpu time spent up to now is 58.2 secs Computing kpt #: 202 total cpu time spent up to now is 58.5 secs Computing kpt #: 203 total cpu time spent up to now is 58.7 secs Computing kpt #: 204 total cpu time spent up to now is 59.0 secs Computing kpt #: 205 total cpu time spent up to now is 59.3 secs Computing kpt #: 206 total cpu time spent up to now is 59.6 secs Computing kpt #: 207 total cpu time spent up to now is 59.8 secs Computing kpt #: 208 total cpu time spent up to now is 60.1 secs Computing kpt #: 209 total cpu time spent up to now is 60.4 secs Computing kpt #: 210 total cpu time spent up to now is 60.6 secs Computing kpt #: 211 total cpu time spent up to now is 60.9 secs Computing kpt #: 212 total cpu time spent up to now is 61.1 secs Computing kpt #: 213 total cpu time spent up to now is 61.4 secs Computing kpt #: 214 total cpu time spent up to now is 61.7 secs Computing kpt #: 215 total cpu time spent up to now is 61.9 secs Computing kpt #: 216 total cpu time spent up to now is 62.2 secs Computing kpt #: 217 total cpu time spent up to now is 62.4 secs Computing kpt #: 218 total cpu time spent up to now is 62.7 secs Computing kpt #: 219 total cpu time spent up to now is 63.0 secs Computing kpt #: 220 total cpu time spent up to now is 63.2 secs Computing kpt #: 221 total cpu time spent up to now is 63.5 secs Computing kpt #: 222 total cpu time spent up to now is 63.7 secs Computing kpt #: 223 total cpu time spent up to now is 64.0 secs Computing kpt #: 224 total cpu time spent up to now is 64.3 secs Computing kpt #: 225 total cpu time spent up to now is 64.5 secs Computing kpt #: 226 total cpu time spent up to now is 64.8 secs Computing kpt #: 227 total cpu time spent up to now is 65.0 secs Computing kpt #: 228 total cpu time spent up to now is 65.3 secs Computing kpt #: 229 total cpu time spent up to now is 65.5 secs Computing kpt #: 230 total cpu time spent up to now is 65.8 secs Computing kpt #: 231 total cpu time spent up to now is 66.0 secs Computing kpt #: 232 total cpu time spent up to now is 66.3 secs Computing kpt #: 233 total cpu time spent up to now is 66.5 secs Computing kpt #: 234 total cpu time spent up to now is 66.8 secs Computing kpt #: 235 total cpu time spent up to now is 67.0 secs Computing kpt #: 236 total cpu time spent up to now is 67.2 secs Computing kpt #: 237 total cpu time spent up to now is 67.5 secs Computing kpt #: 238 total cpu time spent up to now is 67.7 secs Computing kpt #: 239 total cpu time spent up to now is 68.0 secs Computing kpt #: 240 total cpu time spent up to now is 68.2 secs Computing kpt #: 241 total cpu time spent up to now is 68.5 secs Computing kpt #: 242 total cpu time spent up to now is 68.7 secs Computing kpt #: 243 total cpu time spent up to now is 69.0 secs Computing kpt #: 244 total cpu time spent up to now is 69.2 secs Computing kpt #: 245 total cpu time spent up to now is 69.4 secs Computing kpt #: 246 total cpu time spent up to now is 69.7 secs Computing kpt #: 247 total cpu time spent up to now is 69.9 secs Computing kpt #: 248 total cpu time spent up to now is 70.2 secs Computing kpt #: 249 total cpu time spent up to now is 70.4 secs Computing kpt #: 250 total cpu time spent up to now is 70.6 secs Computing kpt #: 251 total cpu time spent up to now is 70.9 secs Computing kpt #: 252 total cpu time spent up to now is 71.1 secs Computing kpt #: 253 total cpu time spent up to now is 71.4 secs Computing kpt #: 254 total cpu time spent up to now is 71.6 secs Computing kpt #: 255 total cpu time spent up to now is 71.8 secs Computing kpt #: 256 total cpu time spent up to now is 72.1 secs Computing kpt #: 257 total cpu time spent up to now is 72.3 secs Computing kpt #: 258 total cpu time spent up to now is 72.6 secs Computing kpt #: 259 total cpu time spent up to now is 72.8 secs Computing kpt #: 260 total cpu time spent up to now is 73.1 secs Computing kpt #: 261 total cpu time spent up to now is 73.3 secs Computing kpt #: 262 total cpu time spent up to now is 73.6 secs Computing kpt #: 263 total cpu time spent up to now is 73.8 secs Computing kpt #: 264 total cpu time spent up to now is 74.1 secs Computing kpt #: 265 total cpu time spent up to now is 74.3 secs Computing kpt #: 266 total cpu time spent up to now is 74.6 secs Computing kpt #: 267 total cpu time spent up to now is 74.9 secs Computing kpt #: 268 total cpu time spent up to now is 75.1 secs Computing kpt #: 269 total cpu time spent up to now is 75.4 secs Computing kpt #: 270 total cpu time spent up to now is 75.6 secs Computing kpt #: 271 total cpu time spent up to now is 75.9 secs Computing kpt #: 272 total cpu time spent up to now is 76.1 secs Computing kpt #: 273 total cpu time spent up to now is 76.4 secs Computing kpt #: 274 total cpu time spent up to now is 76.6 secs Computing kpt #: 275 total cpu time spent up to now is 76.8 secs Computing kpt #: 276 total cpu time spent up to now is 77.1 secs Computing kpt #: 277 total cpu time spent up to now is 77.3 secs Computing kpt #: 278 total cpu time spent up to now is 77.6 secs Computing kpt #: 279 total cpu time spent up to now is 77.8 secs Computing kpt #: 280 total cpu time spent up to now is 78.0 secs Computing kpt #: 281 total cpu time spent up to now is 78.3 secs Computing kpt #: 282 total cpu time spent up to now is 78.5 secs Computing kpt #: 283 total cpu time spent up to now is 78.8 secs Computing kpt #: 284 total cpu time spent up to now is 79.0 secs Computing kpt #: 285 total cpu time spent up to now is 79.2 secs Computing kpt #: 286 total cpu time spent up to now is 79.5 secs Computing kpt #: 287 total cpu time spent up to now is 79.7 secs Computing kpt #: 288 total cpu time spent up to now is 79.9 secs Computing kpt #: 289 total cpu time spent up to now is 80.1 secs Computing kpt #: 290 total cpu time spent up to now is 80.4 secs Computing kpt #: 291 total cpu time spent up to now is 80.6 secs Computing kpt #: 292 total cpu time spent up to now is 80.8 secs Computing kpt #: 293 total cpu time spent up to now is 81.1 secs Computing kpt #: 294 total cpu time spent up to now is 81.3 secs Computing kpt #: 295 total cpu time spent up to now is 81.5 secs Computing kpt #: 296 total cpu time spent up to now is 81.7 secs Computing kpt #: 297 total cpu time spent up to now is 82.0 secs Computing kpt #: 298 total cpu time spent up to now is 82.2 secs Computing kpt #: 299 total cpu time spent up to now is 82.4 secs Computing kpt #: 300 total cpu time spent up to now is 82.7 secs Computing kpt #: 301 total cpu time spent up to now is 82.9 secs Computing kpt #: 302 total cpu time spent up to now is 83.1 secs Computing kpt #: 303 total cpu time spent up to now is 83.3 secs Computing kpt #: 304 total cpu time spent up to now is 83.6 secs Computing kpt #: 305 total cpu time spent up to now is 83.8 secs Computing kpt #: 306 total cpu time spent up to now is 84.1 secs Computing kpt #: 307 total cpu time spent up to now is 84.3 secs Computing kpt #: 308 total cpu time spent up to now is 84.6 secs Computing kpt #: 309 total cpu time spent up to now is 84.8 secs Computing kpt #: 310 total cpu time spent up to now is 85.0 secs Computing kpt #: 311 total cpu time spent up to now is 85.3 secs Computing kpt #: 312 total cpu time spent up to now is 85.5 secs Computing kpt #: 313 total cpu time spent up to now is 85.8 secs Computing kpt #: 314 total cpu time spent up to now is 86.0 secs Computing kpt #: 315 total cpu time spent up to now is 86.3 secs Computing kpt #: 316 total cpu time spent up to now is 86.5 secs Computing kpt #: 317 total cpu time spent up to now is 86.8 secs Computing kpt #: 318 total cpu time spent up to now is 87.0 secs Computing kpt #: 319 total cpu time spent up to now is 87.3 secs Computing kpt #: 320 total cpu time spent up to now is 87.5 secs Computing kpt #: 321 total cpu time spent up to now is 87.8 secs Computing kpt #: 322 total cpu time spent up to now is 88.0 secs Computing kpt #: 323 total cpu time spent up to now is 88.3 secs Computing kpt #: 324 total cpu time spent up to now is 88.6 secs Computing kpt #: 325 total cpu time spent up to now is 88.9 secs Computing kpt #: 326 total cpu time spent up to now is 89.3 secs Computing kpt #: 327 total cpu time spent up to now is 89.6 secs Computing kpt #: 328 total cpu time spent up to now is 89.9 secs Computing kpt #: 329 total cpu time spent up to now is 90.2 secs Computing kpt #: 330 total cpu time spent up to now is 90.6 secs Computing kpt #: 331 total cpu time spent up to now is 90.9 secs Computing kpt #: 332 total cpu time spent up to now is 91.2 secs Computing kpt #: 333 total cpu time spent up to now is 91.5 secs Computing kpt #: 334 total cpu time spent up to now is 91.9 secs Computing kpt #: 335 total cpu time spent up to now is 92.2 secs Computing kpt #: 336 total cpu time spent up to now is 92.5 secs Computing kpt #: 337 total cpu time spent up to now is 92.8 secs Computing kpt #: 338 total cpu time spent up to now is 93.2 secs Computing kpt #: 339 total cpu time spent up to now is 93.5 secs Computing kpt #: 340 total cpu time spent up to now is 93.8 secs Computing kpt #: 341 total cpu time spent up to now is 94.1 secs Computing kpt #: 342 total cpu time spent up to now is 94.5 secs Computing kpt #: 343 total cpu time spent up to now is 94.8 secs Computing kpt #: 344 total cpu time spent up to now is 95.1 secs Computing kpt #: 345 total cpu time spent up to now is 95.4 secs Computing kpt #: 346 total cpu time spent up to now is 95.7 secs Computing kpt #: 347 total cpu time spent up to now is 96.0 secs Computing kpt #: 348 total cpu time spent up to now is 96.2 secs Computing kpt #: 349 total cpu time spent up to now is 96.5 secs Computing kpt #: 350 total cpu time spent up to now is 96.8 secs Computing kpt #: 351 total cpu time spent up to now is 97.1 secs Computing kpt #: 352 total cpu time spent up to now is 97.4 secs Computing kpt #: 353 total cpu time spent up to now is 97.6 secs Computing kpt #: 354 total cpu time spent up to now is 97.9 secs Computing kpt #: 355 total cpu time spent up to now is 98.2 secs Computing kpt #: 356 total cpu time spent up to now is 98.4 secs Computing kpt #: 357 total cpu time spent up to now is 98.7 secs Computing kpt #: 358 total cpu time spent up to now is 98.9 secs Computing kpt #: 359 total cpu time spent up to now is 99.2 secs Computing kpt #: 360 total cpu time spent up to now is 99.4 secs Computing kpt #: 361 total cpu time spent up to now is 99.7 secs Computing kpt #: 362 total cpu time spent up to now is 100.0 secs Computing kpt #: 363 total cpu time spent up to now is 100.3 secs Computing kpt #: 364 total cpu time spent up to now is 100.6 secs Computing kpt #: 365 total cpu time spent up to now is 100.9 secs Computing kpt #: 366 total cpu time spent up to now is 101.2 secs Computing kpt #: 367 total cpu time spent up to now is 101.5 secs Computing kpt #: 368 total cpu time spent up to now is 101.8 secs Computing kpt #: 369 total cpu time spent up to now is 102.1 secs Computing kpt #: 370 total cpu time spent up to now is 102.5 secs Computing kpt #: 371 total cpu time spent up to now is 102.8 secs Computing kpt #: 372 total cpu time spent up to now is 103.0 secs Computing kpt #: 373 total cpu time spent up to now is 103.3 secs Computing kpt #: 374 total cpu time spent up to now is 103.6 secs Computing kpt #: 375 total cpu time spent up to now is 103.8 secs Computing kpt #: 376 total cpu time spent up to now is 104.1 secs Computing kpt #: 377 total cpu time spent up to now is 104.3 secs Computing kpt #: 378 total cpu time spent up to now is 104.6 secs Computing kpt #: 379 total cpu time spent up to now is 104.9 secs Computing kpt #: 380 total cpu time spent up to now is 105.1 secs Computing kpt #: 381 total cpu time spent up to now is 105.4 secs Computing kpt #: 382 total cpu time spent up to now is 105.6 secs Computing kpt #: 383 total cpu time spent up to now is 105.9 secs Computing kpt #: 384 total cpu time spent up to now is 106.1 secs Computing kpt #: 385 total cpu time spent up to now is 106.4 secs Computing kpt #: 386 total cpu time spent up to now is 106.6 secs Computing kpt #: 387 total cpu time spent up to now is 106.8 secs Computing kpt #: 388 total cpu time spent up to now is 107.1 secs Computing kpt #: 389 total cpu time spent up to now is 107.3 secs Computing kpt #: 390 total cpu time spent up to now is 107.6 secs Computing kpt #: 391 total cpu time spent up to now is 107.8 secs Computing kpt #: 392 total cpu time spent up to now is 108.1 secs Computing kpt #: 393 total cpu time spent up to now is 108.3 secs Computing kpt #: 394 total cpu time spent up to now is 108.5 secs Computing kpt #: 395 total cpu time spent up to now is 108.8 secs Computing kpt #: 396 total cpu time spent up to now is 109.0 secs Computing kpt #: 397 total cpu time spent up to now is 109.2 secs Computing kpt #: 398 total cpu time spent up to now is 109.5 secs Computing kpt #: 399 total cpu time spent up to now is 109.7 secs Computing kpt #: 400 total cpu time spent up to now is 109.9 secs Computing kpt #: 401 total cpu time spent up to now is 110.2 secs Computing kpt #: 402 total cpu time spent up to now is 110.4 secs ethr = 3.57E-08, avg # of iterations = 18.6 total cpu time spent up to now is 110.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6595 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4177 -10.4177 -9.7512 -9.7512 0.0644 0.0644 1.9536 1.9536 2.1979 2.1979 2.9849 2.9849 3.5197 3.5197 3.6066 3.6066 5.5540 5.5540 5.8352 5.8352 5.9530 5.9530 6.6410 6.6410 7.3915 7.3915 8.7203 8.7203 k = 0.0111 0.0057-0.0008 ( 6591 PWs) bands (ev): -65.1631 -65.1631 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4173 -10.4173 -9.7511 -9.7511 0.0652 0.0652 1.9527 1.9527 2.1968 2.1968 2.9829 2.9829 3.5163 3.5163 3.6056 3.6056 5.5552 5.5552 5.8360 5.8360 5.9550 5.9550 6.6405 6.6405 7.3922 7.3922 8.7238 8.7238 k = 0.0222 0.0114-0.0017 ( 6575 PWs) bands (ev): -65.1622 -65.1622 -37.2511 -37.2511 -36.3173 -36.3173 -36.2249 -36.2249 -10.4159 -10.4159 -9.7509 -9.7509 0.0677 0.0677 1.9499 1.9499 2.1938 2.1938 2.9768 2.9768 3.5064 3.5064 3.6026 3.6026 5.5579 5.5579 5.8394 5.8394 5.9614 5.9614 6.6398 6.6398 7.3949 7.3949 8.7346 8.7346 k = 0.0333 0.0171-0.0025 ( 6577 PWs) bands (ev): -65.1623 -65.1623 -37.2511 -37.2511 -36.3173 -36.3173 -36.2249 -36.2249 -10.4137 -10.4137 -9.7505 -9.7505 0.0718 0.0718 1.9446 1.9446 2.1883 2.1883 2.9663 2.9663 3.4900 3.4900 3.5979 3.5979 5.5591 5.5591 5.8420 5.8420 5.9702 5.9702 6.6359 6.6359 7.3947 7.3947 8.7521 8.7521 k = 0.0444 0.0228-0.0034 ( 6578 PWs) bands (ev): -65.1623 -65.1623 -37.2511 -37.2511 -36.3173 -36.3173 -36.2250 -36.2250 -10.4105 -10.4105 -9.7500 -9.7500 0.0776 0.0776 1.9369 1.9369 2.1813 2.1813 2.9513 2.9513 3.4678 3.4678 3.5917 3.5917 5.5606 5.5606 5.8465 5.8465 5.9821 5.9821 6.6305 6.6305 7.3950 7.3950 8.7767 8.7767 k = 0.0556 0.0285-0.0042 ( 6578 PWs) bands (ev): -65.1623 -65.1623 -37.2511 -37.2511 -36.3173 -36.3173 -36.2250 -36.2250 -10.4064 -10.4064 -9.7493 -9.7493 0.0850 0.0850 1.9265 1.9265 2.1732 2.1732 2.9313 2.9313 3.4408 3.4408 3.5840 3.5840 5.5624 5.5624 5.8509 5.8509 5.9969 5.9969 6.6249 6.6249 7.3955 7.3955 8.8088 8.8088 k = 0.0667 0.0342-0.0051 ( 6587 PWs) bands (ev): -65.1629 -65.1629 -37.2512 -37.2512 -36.3173 -36.3173 -36.2252 -36.2252 -10.4015 -10.4015 -9.7486 -9.7486 0.0939 0.0939 1.9129 1.9129 2.1642 2.1642 2.9058 2.9058 3.4100 3.4100 3.5749 3.5749 5.5628 5.5628 5.8573 5.8573 6.0132 6.0132 6.6163 6.6163 7.3952 7.3952 8.8477 8.8477 k = 0.0778 0.0399-0.0059 ( 6594 PWs) bands (ev): -65.1633 -65.1633 -37.2513 -37.2513 -36.3174 -36.3174 -36.2253 -36.2253 -10.3957 -10.3957 -9.7477 -9.7477 0.1044 0.1044 1.8960 1.8960 2.1553 2.1553 2.8746 2.8746 3.3769 3.3769 3.5643 3.5643 5.5627 5.5627 5.8639 5.8639 6.0317 6.0317 6.6086 6.6086 7.3952 7.3952 8.8940 8.8940 k = 0.0889 0.0456-0.0068 ( 6591 PWs) bands (ev): -65.1631 -65.1631 -37.2513 -37.2513 -36.3174 -36.3174 -36.2253 -36.2253 -10.3891 -10.3891 -9.7467 -9.7467 0.1164 0.1164 1.8757 1.8757 2.1470 2.1470 2.8373 2.8373 3.3424 3.3424 3.5520 3.5520 5.5633 5.5633 5.8735 5.8735 6.0526 6.0526 6.6010 6.6010 7.3959 7.3959 8.9477 8.9477 k = 0.1000 0.0513-0.0076 ( 6587 PWs) bands (ev): -65.1629 -65.1629 -37.2513 -37.2513 -36.3174 -36.3174 -36.2254 -36.2254 -10.3816 -10.3816 -9.7456 -9.7456 0.1299 0.1299 1.8519 1.8519 2.1394 2.1394 2.7939 2.7939 3.3077 3.3077 3.5381 3.5381 5.5642 5.5642 5.8839 5.8839 6.0738 6.0738 6.5943 6.5943 7.3964 7.3964 9.0083 9.0083 k = 0.1111 0.0570-0.0085 ( 6589 PWs) bands (ev): -65.1630 -65.1630 -37.2513 -37.2513 -36.3174 -36.3174 -36.2254 -36.2254 -10.3733 -10.3733 -9.7444 -9.7444 0.1449 0.1449 1.8247 1.8247 2.1328 2.1328 2.7446 2.7446 3.2735 3.2735 3.5223 3.5223 5.5629 5.5629 5.8942 5.8942 6.0959 6.0959 6.5873 6.5873 7.3970 7.3970 9.0753 9.0753 k = 0.1222 0.0627-0.0093 ( 6587 PWs) bands (ev): -65.1628 -65.1628 -37.2514 -37.2514 -36.3174 -36.3174 -36.2255 -36.2255 -10.3642 -10.3642 -9.7432 -9.7432 0.1611 0.1611 1.7942 1.7942 2.1273 2.1273 2.6898 2.6898 3.2400 3.2400 3.5047 3.5047 5.5621 5.5621 5.9042 5.9042 6.1189 6.1189 6.5815 6.5815 7.3984 7.3984 9.1484 9.1484 k = 0.1333 0.0684-0.0102 ( 6583 PWs) bands (ev): -65.1626 -65.1626 -37.2514 -37.2514 -36.3174 -36.3174 -36.2255 -36.2255 -10.3544 -10.3544 -9.7420 -9.7420 0.1787 0.1787 1.7608 1.7608 2.1228 2.1228 2.6302 2.6302 3.2076 3.2076 3.4852 3.4852 5.5609 5.5609 5.9162 5.9162 6.1424 6.1424 6.5756 6.5756 7.4001 7.4001 9.2269 9.2269 k = 0.1444 0.0741-0.0110 ( 6572 PWs) bands (ev): -65.1619 -65.1619 -37.2513 -37.2513 -36.3173 -36.3173 -36.2255 -36.2255 -10.3438 -10.3438 -9.7407 -9.7407 0.1975 0.1975 1.7251 1.7251 2.1194 2.1194 2.5668 2.5668 3.1760 3.1760 3.4638 3.4638 5.5602 5.5602 5.9293 5.9293 6.1647 6.1647 6.5730 6.5730 7.4025 7.4025 9.3107 9.3107 k = 0.1556 0.0798-0.0119 ( 6578 PWs) bands (ev): -65.1623 -65.1623 -37.2514 -37.2514 -36.3175 -36.3175 -36.2256 -36.2256 -10.3325 -10.3325 -9.7394 -9.7394 0.2173 0.2173 1.6870 1.6870 2.1164 2.1164 2.5003 2.5003 3.1451 3.1451 3.4405 3.4405 5.5567 5.5567 5.9413 5.9413 6.1835 6.1835 6.5711 6.5711 7.4036 7.4036 9.3987 9.3987 k = 0.1667 0.0855-0.0127 ( 6575 PWs) bands (ev): -65.1621 -65.1621 -37.2514 -37.2514 -36.3174 -36.3174 -36.2257 -36.2257 -10.3206 -10.3206 -9.7382 -9.7382 0.2382 0.2382 1.6473 1.6473 2.1143 2.1143 2.4317 2.4317 3.1148 3.1148 3.4153 3.4153 5.5548 5.5548 5.9536 5.9536 6.2027 6.2027 6.5711 6.5711 7.4057 7.4057 9.4905 9.4905 k = 0.1778 0.0912-0.0136 ( 6575 PWs) bands (ev): -65.1621 -65.1621 -37.2515 -37.2515 -36.3175 -36.3175 -36.2257 -36.2257 -10.3080 -10.3080 -9.7370 -9.7370 0.2599 0.2599 1.6062 1.6062 2.1125 2.1125 2.3620 2.3620 3.0848 3.0848 3.3884 3.3884 5.5515 5.5515 5.9665 5.9665 6.2204 6.2204 6.5727 6.5727 7.4078 7.4078 9.5853 9.5853 k = 0.1889 0.0969-0.0144 ( 6568 PWs) bands (ev): -65.1616 -65.1616 -37.2515 -37.2515 -36.3174 -36.3174 -36.2258 -36.2258 -10.2948 -10.2948 -9.7359 -9.7359 0.2823 0.2823 1.5642 1.5642 2.1110 2.1110 2.2921 2.2921 3.0550 3.0550 3.3598 3.3598 5.5501 5.5501 5.9790 5.9790 6.2371 6.2371 6.5774 6.5774 7.4103 7.4103 9.6827 9.6827 k = 0.2000 0.1026-0.0152 ( 6555 PWs) bands (ev): -65.1609 -65.1609 -37.2514 -37.2514 -36.3174 -36.3174 -36.2257 -36.2257 -10.2810 -10.2810 -9.7350 -9.7350 0.3052 0.3052 1.5217 1.5217 2.1090 2.1090 2.2235 2.2235 3.0251 3.0251 3.3297 3.3297 5.5479 5.5479 5.9938 5.9938 6.2520 6.2520 6.5852 6.5852 7.4139 7.4139 9.7817 9.7817 k = 0.2111 0.1083-0.0161 ( 6553 PWs) bands (ev): -65.1607 -65.1607 -37.2514 -37.2514 -36.3174 -36.3174 -36.2258 -36.2258 -10.2667 -10.2667 -9.7341 -9.7341 0.3283 0.3283 1.4790 1.4790 2.1023 2.1023 2.1608 2.1608 2.9950 2.9950 3.2982 3.2982 5.5442 5.5442 6.0059 6.0059 6.2637 6.2637 6.5943 6.5943 7.4178 7.4178 9.8815 9.8815 k = 0.2222 0.1140-0.0169 ( 6551 PWs) bands (ev): -65.1606 -65.1606 -37.2515 -37.2515 -36.3174 -36.3174 -36.2259 -36.2259 -10.2519 -10.2519 -9.7334 -9.7334 0.3513 0.3513 1.4364 1.4364 2.0677 2.0677 2.1275 2.1275 2.9646 2.9646 3.2655 3.2655 5.5403 5.5403 6.0188 6.0188 6.2738 6.2738 6.6056 6.6056 7.4209 7.4209 9.9816 9.9816 k = 0.2333 0.1197-0.0178 ( 6549 PWs) bands (ev): -65.1605 -65.1605 -37.2515 -37.2515 -36.3174 -36.3174 -36.2259 -36.2259 -10.2367 -10.2367 -9.7330 -9.7330 0.3741 0.3741 1.3944 1.3944 2.0078 2.0078 2.1217 2.1217 2.9339 2.9339 3.2318 3.2318 5.5363 5.5363 6.0313 6.0313 6.2818 6.2818 6.6191 6.6191 7.4242 7.4242 10.0811 10.0811 k = 0.2444 0.1254-0.0186 ( 6545 PWs) bands (ev): -65.1602 -65.1602 -37.2515 -37.2515 -36.3174 -36.3174 -36.2260 -36.2260 -10.2211 -10.2211 -9.7327 -9.7327 0.3961 0.3961 1.3533 1.3533 1.9456 1.9456 2.1214 2.1214 2.9026 2.9026 3.1974 3.1974 5.5317 5.5317 6.0439 6.0439 6.2887 6.2887 6.6337 6.6337 7.4293 7.4293 10.1794 10.1794 k = 0.2556 0.1311-0.0195 ( 6543 PWs) bands (ev): -65.1600 -65.1600 -37.2516 -37.2516 -36.3174 -36.3174 -36.2261 -36.2261 -10.2051 -10.2051 -9.7327 -9.7327 0.4171 0.4171 1.3137 1.3137 1.8851 1.8851 2.1223 2.1223 2.8707 2.8707 3.1625 3.1625 5.5277 5.5277 6.0549 6.0549 6.2935 6.2935 6.6503 6.6503 7.4339 7.4339 10.2756 10.2756 k = 0.2667 0.1368-0.0203 ( 6546 PWs) bands (ev): -65.1602 -65.1602 -37.2516 -37.2516 -36.3175 -36.3175 -36.2262 -36.2262 -10.1889 -10.1889 -9.7330 -9.7330 0.4363 0.4363 1.2759 1.2759 1.8276 1.8276 2.1237 2.1237 2.8380 2.8380 3.1273 3.1273 5.5235 5.5235 6.0649 6.0649 6.2966 6.2966 6.6671 6.6671 7.4379 7.4379 10.3689 10.3689 k = 0.2778 0.1425-0.0212 ( 6551 PWs) bands (ev): -65.1604 -65.1604 -37.2517 -37.2517 -36.3176 -36.3176 -36.2264 -36.2264 -10.1723 -10.1723 -9.7336 -9.7336 0.4533 0.4533 1.2405 1.2405 1.7738 1.7738 2.1254 2.1254 2.8045 2.8045 3.0923 3.0923 5.5188 5.5188 6.0750 6.0750 6.2980 6.2980 6.6844 6.6844 7.4419 7.4419 10.4587 10.4587 k = 0.2889 0.1482-0.0220 ( 6561 PWs) bands (ev): -65.1610 -65.1610 -37.2519 -37.2519 -36.3177 -36.3177 -36.2266 -36.2266 -10.1556 -10.1556 -9.7346 -9.7346 0.4676 0.4676 1.2078 1.2078 1.7241 1.7241 2.1274 2.1274 2.7700 2.7700 3.0576 3.0576 5.5142 5.5142 6.0828 6.0828 6.2978 6.2978 6.7016 6.7016 7.4462 7.4462 10.5441 10.5441 k = 0.3000 0.1539-0.0229 ( 6569 PWs) bands (ev): -65.1614 -65.1614 -37.2520 -37.2520 -36.3178 -36.3178 -36.2268 -36.2268 -10.1387 -10.1387 -9.7359 -9.7359 0.4785 0.4785 1.1784 1.1784 1.6793 1.6793 2.1296 2.1296 2.7345 2.7345 3.0236 3.0236 5.5088 5.5088 6.0906 6.0906 6.2987 6.2987 6.7192 6.7192 7.4500 7.4500 10.6247 10.6247 k = 0.3111 0.1596-0.0237 ( 6562 PWs) bands (ev): -65.1610 -65.1610 -37.2520 -37.2520 -36.3178 -36.3178 -36.2268 -36.2268 -10.1217 -10.1217 -9.7376 -9.7376 0.4856 0.4856 1.1523 1.1523 1.6399 1.6399 2.1322 2.1322 2.6978 2.6978 2.9906 2.9906 5.5053 5.5053 6.1003 6.1003 6.3006 6.3006 6.7378 6.7378 7.4551 7.4551 10.6997 10.6997 k = 0.3222 0.1653-0.0246 ( 6568 PWs) bands (ev): -65.1613 -65.1613 -37.2521 -37.2521 -36.3179 -36.3179 -36.2269 -36.2269 -10.1046 -10.1046 -9.7398 -9.7398 0.4884 0.4884 1.1295 1.1295 1.6065 1.6065 2.1349 2.1349 2.6600 2.6600 2.9588 2.9588 5.5001 5.5001 6.1076 6.1076 6.2998 6.2998 6.7552 6.7552 7.4599 7.4599 10.7682 10.7682 k = 0.3333 0.1710-0.0254 ( 6564 PWs) bands (ev): -65.1610 -65.1610 -37.2521 -37.2521 -36.3179 -36.3179 -36.2270 -36.2270 -10.0876 -10.0876 -9.7424 -9.7424 0.4870 0.4870 1.1098 1.1098 1.5796 1.5796 2.1376 2.1376 2.6209 2.6209 2.9284 2.9284 5.4961 5.4961 6.1163 6.1163 6.3002 6.3002 6.7727 6.7727 7.4650 7.4650 10.8300 10.8300 k = 0.3444 0.1767-0.0263 ( 6566 PWs) bands (ev): -65.1611 -65.1611 -37.2522 -37.2522 -36.3179 -36.3179 -36.2271 -36.2271 -10.0706 -10.0706 -9.7455 -9.7455 0.4815 0.4815 1.0925 1.0925 1.5600 1.5600 2.1404 2.1404 2.5807 2.5807 2.8995 2.8995 5.4924 5.4924 6.1235 6.1235 6.2982 6.2982 6.7894 6.7894 7.4699 7.4699 10.8845 10.8845 k = 0.3556 0.1824-0.0271 ( 6566 PWs) bands (ev): -65.1611 -65.1611 -37.2522 -37.2522 -36.3180 -36.3180 -36.2271 -36.2271 -10.0537 -10.0537 -9.7490 -9.7490 0.4724 0.4724 1.0770 1.0770 1.5479 1.5479 2.1429 2.1429 2.5396 2.5396 2.8724 2.8724 5.4878 5.4878 6.1296 6.1296 6.2983 6.2983 6.8064 6.8064 7.4740 7.4740 10.9316 10.9316 k = 0.3667 0.1881-0.0279 ( 6563 PWs) bands (ev): -65.1609 -65.1609 -37.2522 -37.2522 -36.3180 -36.3180 -36.2271 -36.2271 -10.0369 -10.0369 -9.7531 -9.7531 0.4604 0.4604 1.0626 1.0626 1.5434 1.5434 2.1453 2.1453 2.4976 2.4976 2.8470 2.8470 5.4845 5.4845 6.1358 6.1358 6.2985 6.2985 6.8209 6.8209 7.4789 7.4789 10.9709 10.9709 k = 0.3778 0.1938-0.0288 ( 6557 PWs) bands (ev): -65.1605 -65.1605 -37.2522 -37.2522 -36.3180 -36.3180 -36.2271 -36.2271 -10.0204 -10.0204 -9.7577 -9.7577 0.4462 0.4462 1.0488 1.0488 1.5465 1.5465 2.1474 2.1474 2.4550 2.4550 2.8235 2.8235 5.4815 5.4815 6.1418 6.1418 6.2984 6.2984 6.8355 6.8355 7.4839 7.4839 11.0022 11.0022 k = 0.3889 0.1995-0.0296 ( 6556 PWs) bands (ev): -65.1604 -65.1604 -37.2523 -37.2523 -36.3181 -36.3181 -36.2271 -36.2271 -10.0042 -10.0042 -9.7629 -9.7629 0.4307 0.4307 1.0352 1.0352 1.5566 1.5566 2.1487 2.1487 2.4123 2.4123 2.8018 2.8018 5.4775 5.4775 6.1478 6.1478 6.2977 6.2977 6.8488 6.8488 7.4879 7.4879 11.0253 11.0253 k = 0.4000 0.2052-0.0305 ( 6547 PWs) bands (ev): -65.1599 -65.1599 -37.2522 -37.2522 -36.3180 -36.3180 -36.2271 -36.2271 -9.9882 -9.9882 -9.7685 -9.7685 0.4146 0.4146 1.0219 1.0219 1.5731 1.5731 2.1489 2.1489 2.3701 2.3701 2.7821 2.7821 5.4755 5.4755 6.1540 6.1540 6.2968 6.2968 6.8619 6.8619 7.4926 7.4926 11.0410 11.0410 k = 0.4111 0.2109-0.0313 ( 6548 PWs) bands (ev): -65.1599 -65.1599 -37.2522 -37.2522 -36.3180 -36.3180 -36.2272 -36.2272 -9.9727 -9.9727 -9.7747 -9.7747 0.3986 0.3986 1.0091 1.0091 1.5951 1.5951 2.1469 2.1469 2.3293 2.3293 2.7643 2.7643 5.4735 5.4735 6.1584 6.1584 6.2943 6.2943 6.8719 6.8719 7.4963 7.4963 11.0497 11.0497 k = 0.4222 0.2166-0.0322 ( 6546 PWs) bands (ev): -65.1598 -65.1598 -37.2523 -37.2523 -36.3180 -36.3180 -36.2272 -36.2272 -9.9577 -9.9577 -9.7814 -9.7814 0.3832 0.3832 0.9970 0.9970 1.6217 1.6217 2.1414 2.1414 2.2917 2.2917 2.7485 2.7485 5.4712 5.4712 6.1624 6.1624 6.2935 6.2935 6.8813 6.8813 7.4998 7.4998 11.0534 11.0534 k = 0.4333 0.2223-0.0330 ( 6548 PWs) bands (ev): -65.1599 -65.1599 -37.2523 -37.2523 -36.3180 -36.3180 -36.2273 -36.2273 -9.9433 -9.9433 -9.7885 -9.7885 0.3691 0.3691 0.9859 0.9859 1.6520 1.6520 2.1296 2.1296 2.2600 2.2600 2.7347 2.7347 5.4689 5.4689 6.1650 6.1650 6.2924 6.2924 6.8894 6.8894 7.5023 7.5023 11.0537 11.0537 k = 0.4444 0.2280-0.0339 ( 6557 PWs) bands (ev): -65.1604 -65.1604 -37.2524 -37.2524 -36.3182 -36.3182 -36.2274 -36.2274 -9.9296 -9.9296 -9.7959 -9.7959 0.3564 0.3564 0.9761 0.9761 1.6852 1.6852 2.1090 2.1090 2.2371 2.2371 2.7229 2.7229 5.4667 5.4667 6.1662 6.1662 6.2894 6.2894 6.8960 6.8960 7.5038 7.5038 11.0517 11.0517 k = 0.4556 0.2337-0.0347 ( 6564 PWs) bands (ev): -65.1608 -65.1608 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.9167 -9.9167 -9.8035 -9.8035 0.3457 0.3457 0.9677 0.9677 1.7204 1.7204 2.0798 2.0798 2.2232 2.2232 2.7131 2.7131 5.4651 5.4651 6.1669 6.1669 6.2878 6.2878 6.9012 6.9012 7.5046 7.5046 11.0493 11.0493 k = 0.4667 0.2394-0.0356 ( 6562 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.9052 -9.9052 -9.8110 -9.8110 0.3371 0.3371 0.9610 0.9610 1.7563 1.7563 2.0457 2.0457 2.2159 2.2159 2.7055 2.7055 5.4647 5.4647 6.1683 6.1683 6.2874 6.2874 6.9054 6.9054 7.5064 7.5064 11.0469 11.0469 k = 0.4778 0.2451-0.0364 ( 6560 PWs) bands (ev): -65.1605 -65.1605 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8954 -9.8954 -9.8178 -9.8178 0.3309 0.3309 0.9562 0.9562 1.7910 1.7910 2.0110 2.0110 2.2122 2.2122 2.7001 2.7001 5.4642 5.4642 6.1696 6.1696 6.2863 6.2863 6.9099 6.9099 7.5075 7.5075 11.0450 11.0450 k = 0.4889 0.2508-0.0373 ( 6560 PWs) bands (ev): -65.1605 -65.1605 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8886 -9.8886 -9.8229 -9.8229 0.3271 0.3271 0.9532 0.9532 1.8198 1.8198 1.9817 1.9817 2.2103 2.2103 2.6968 2.6968 5.4639 5.4639 6.1712 6.1712 6.2859 6.2859 6.9115 6.9115 7.5076 7.5076 11.0436 11.0436 k = 0.5000 0.2565-0.0381 ( 6558 PWs) bands (ev): -65.1604 -65.1604 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8860 -9.8860 -9.8249 -9.8249 0.3258 0.3258 0.9522 0.9522 1.8323 1.8323 1.9690 1.9690 2.2098 2.2098 2.6957 2.6957 5.4642 5.4642 6.1722 6.1722 6.2860 6.2860 6.9120 6.9120 7.5076 7.5076 11.0432 11.0432 k = 0.5000 0.2565-0.0381 ( 6558 PWs) bands (ev): -65.1604 -65.1604 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8860 -9.8860 -9.8249 -9.8249 0.3258 0.3258 0.9522 0.9522 1.8323 1.8323 1.9690 1.9690 2.2098 2.2098 2.6957 2.6957 5.4642 5.4642 6.1722 6.1722 6.2860 6.2860 6.9120 6.9120 7.5076 7.5076 11.0432 11.0432 k = 0.5007 0.2568-0.0258 ( 6556 PWs) bands (ev): -65.1603 -65.1603 -37.2524 -37.2524 -36.3182 -36.3182 -36.2275 -36.2275 -9.8864 -9.8864 -9.8245 -9.8245 0.3243 0.3243 0.9500 0.9500 1.8325 1.8325 1.9736 1.9736 2.2099 2.2099 2.6965 2.6965 5.4635 5.4635 6.1727 6.1727 6.2860 6.2860 6.9126 6.9126 7.5081 7.5081 11.0273 11.0273 k = 0.5015 0.2572-0.0134 ( 6552 PWs) bands (ev): -65.1601 -65.1601 -37.2524 -37.2524 -36.3182 -36.3182 -36.2274 -36.2274 -9.8873 -9.8873 -9.8235 -9.8235 0.3199 0.3199 0.9435 0.9435 1.8334 1.8334 1.9869 1.9869 2.2096 2.2096 2.6990 2.6990 5.4633 5.4633 6.1732 6.1732 6.2868 6.2868 6.9142 6.9142 7.5067 7.5067 10.9864 10.9865 k = 0.5022 0.2576-0.0011 ( 6559 PWs) bands (ev): -65.1605 -65.1605 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8889 -9.8889 -9.8218 -9.8218 0.3127 0.3127 0.9329 0.9329 1.8357 1.8357 2.0073 2.0073 2.2092 2.2092 2.7031 2.7031 5.4623 5.4623 6.1718 6.1718 6.2864 6.2864 6.9141 6.9141 7.5037 7.5037 10.9304 10.9304 k = 0.5030 0.2580 0.0113 ( 6560 PWs) bands (ev): -65.1605 -65.1605 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8910 -9.8910 -9.8196 -9.8196 0.3029 0.3029 0.9186 0.9186 1.8405 1.8405 2.0333 2.0333 2.2088 2.2088 2.7087 2.7087 5.4615 5.4615 6.1713 6.1713 6.2867 6.2867 6.9173 6.9173 7.4987 7.4987 10.8659 10.8659 k = 0.5037 0.2584 0.0237 ( 6566 PWs) bands (ev): -65.1609 -65.1609 -37.2525 -37.2525 -36.3183 -36.3183 -36.2276 -36.2276 -9.8934 -9.8934 -9.8169 -9.8169 0.2907 0.2907 0.9012 0.9012 1.8480 1.8480 2.0630 2.0630 2.2095 2.2095 2.7159 2.7159 5.4597 5.4597 6.1694 6.1694 6.2858 6.2858 6.9200 6.9200 7.4941 7.4941 10.7961 10.7961 k = 0.5045 0.2588 0.0360 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2526 -37.2526 -36.3183 -36.3183 -36.2277 -36.2277 -9.8962 -9.8962 -9.8140 -9.8140 0.2765 0.2765 0.8813 0.8813 1.8580 1.8580 2.0945 2.0945 2.2120 2.2120 2.7244 2.7244 5.4579 5.4579 6.1682 6.1682 6.2848 6.2848 6.9229 6.9229 7.4881 7.4881 10.7235 10.7235 k = 0.5052 0.2591 0.0484 ( 6565 PWs) bands (ev): -65.1608 -65.1608 -37.2525 -37.2525 -36.3182 -36.3182 -36.2276 -36.2276 -9.8991 -9.8991 -9.8108 -9.8108 0.2606 0.2606 0.8593 0.8593 1.8705 1.8705 2.1252 2.1252 2.2187 2.2187 2.7342 2.7342 5.4571 5.4571 6.1684 6.1684 6.2858 6.2858 6.9260 6.9260 7.4842 7.4842 10.6501 10.6501 k = 0.5060 0.2595 0.0607 ( 6563 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3182 -36.3182 -36.2276 -36.2276 -9.9022 -9.9022 -9.8074 -9.8074 0.2433 0.2433 0.8360 0.8360 1.8846 1.8846 2.1505 2.1505 2.2328 2.2328 2.7453 2.7453 5.4558 5.4558 6.1689 6.1689 6.2862 6.2862 6.9296 6.9296 7.4772 7.4772 10.5771 10.5771 k = 0.5067 0.2599 0.0731 ( 6561 PWs) bands (ev): -65.1606 -65.1606 -37.2525 -37.2525 -36.3182 -36.3182 -36.2276 -36.2276 -9.9053 -9.9053 -9.8039 -9.8039 0.2250 0.2250 0.8117 0.8117 1.8999 1.8999 2.1669 2.1669 2.2576 2.2576 2.7575 2.7575 5.4540 5.4540 6.1698 6.1698 6.2864 6.2864 6.9340 6.9340 7.4693 7.4693 10.5057 10.5057 k = 0.5075 0.2603 0.0854 ( 6557 PWs) bands (ev): -65.1603 -65.1603 -37.2524 -37.2524 -36.3181 -36.3181 -36.2276 -36.2276 -9.9085 -9.9085 -9.8004 -9.8004 0.2061 0.2061 0.7871 0.7871 1.9155 1.9155 2.1768 2.1768 2.2908 2.2908 2.7708 2.7708 5.4528 5.4528 6.1693 6.1693 6.2872 6.2872 6.9391 6.9391 7.4612 7.4612 10.4369 10.4369 k = 0.5082 0.2607 0.0978 ( 6561 PWs) bands (ev): -65.1606 -65.1606 -37.2525 -37.2525 -36.3181 -36.3181 -36.2276 -36.2276 -9.9117 -9.9117 -9.7969 -9.7969 0.1867 0.1867 0.7624 0.7624 1.9307 1.9307 2.1839 2.1839 2.3279 2.3279 2.7851 2.7851 5.4502 5.4502 6.1684 6.1684 6.2870 6.2870 6.9438 6.9438 7.4514 7.4514 10.3716 10.3716 k = 0.5089 0.2611 0.1101 ( 6560 PWs) bands (ev): -65.1605 -65.1605 -37.2525 -37.2525 -36.3181 -36.3181 -36.2276 -36.2276 -9.9149 -9.9149 -9.7933 -9.7933 0.1672 0.1672 0.7382 0.7382 1.9450 1.9450 2.1910 2.1910 2.3663 2.3663 2.8004 2.8004 5.4471 5.4471 6.1684 6.1684 6.2873 6.2873 6.9494 6.9494 7.4424 7.4424 10.3105 10.3105 k = 0.5097 0.2614 0.1225 ( 6563 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3182 -36.3182 -36.2276 -36.2276 -9.9180 -9.9180 -9.7899 -9.7899 0.1479 0.1479 0.7147 0.7147 1.9575 1.9575 2.1988 2.1988 2.4044 2.4044 2.8167 2.8167 5.4445 5.4445 6.1679 6.1679 6.2873 6.2873 6.9539 6.9539 7.4320 7.4320 10.2542 10.2542 k = 0.5104 0.2618 0.1348 ( 6567 PWs) bands (ev): -65.1609 -65.1609 -37.2525 -37.2525 -36.3182 -36.3182 -36.2277 -36.2277 -9.9210 -9.9210 -9.7865 -9.7865 0.1290 0.1290 0.6922 0.6922 1.9679 1.9679 2.2081 2.2081 2.4414 2.4414 2.8338 2.8338 5.4425 5.4425 6.1660 6.1660 6.2876 6.2876 6.9572 6.9572 7.4220 7.4220 10.2035 10.2035 k = 0.5112 0.2622 0.1472 ( 6568 PWs) bands (ev): -65.1609 -65.1609 -37.2525 -37.2525 -36.3182 -36.3182 -36.2277 -36.2277 -9.9239 -9.9239 -9.7832 -9.7832 0.1107 0.1107 0.6709 0.6709 1.9762 1.9762 2.2188 2.2188 2.4765 2.4765 2.8518 2.8518 5.4390 5.4390 6.1666 6.1666 6.2881 6.2881 6.9606 6.9606 7.4126 7.4126 10.1587 10.1587 k = 0.5119 0.2626 0.1595 ( 6571 PWs) bands (ev): -65.1611 -65.1611 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9268 -9.9268 -9.7800 -9.7800 0.0932 0.0932 0.6510 0.6510 1.9823 1.9823 2.2304 2.2304 2.5093 2.5093 2.8704 2.8704 5.4363 5.4363 6.1660 6.1660 6.2888 6.2888 6.9636 6.9636 7.4022 7.4022 10.1204 10.1204 k = 0.5127 0.2630 0.1719 ( 6576 PWs) bands (ev): -65.1614 -65.1614 -37.2526 -37.2526 -36.3182 -36.3182 -36.2278 -36.2278 -9.9295 -9.9295 -9.7770 -9.7770 0.0766 0.0766 0.6328 0.6328 1.9866 1.9866 2.2427 2.2427 2.5394 2.5394 2.8895 2.8895 5.4330 5.4330 6.1651 6.1651 6.2883 6.2883 6.9664 6.9664 7.3927 7.3927 10.0889 10.0889 k = 0.5134 0.2633 0.1843 ( 6583 PWs) bands (ev): -65.1618 -65.1618 -37.2526 -37.2526 -36.3183 -36.3183 -36.2279 -36.2279 -9.9320 -9.9320 -9.7741 -9.7741 0.0613 0.0613 0.6163 0.6163 1.9893 1.9893 2.2550 2.2550 2.5665 2.5665 2.9088 2.9088 5.4293 5.4293 6.1645 6.1645 6.2871 6.2871 6.9686 6.9686 7.3836 7.3836 10.0645 10.0645 k = 0.5142 0.2637 0.1966 ( 6577 PWs) bands (ev): -65.1615 -65.1615 -37.2526 -37.2526 -36.3183 -36.3183 -36.2278 -36.2278 -9.9344 -9.9344 -9.7714 -9.7714 0.0472 0.0472 0.6016 0.6016 1.9911 1.9911 2.2670 2.2670 2.5906 2.5906 2.9280 2.9280 5.4263 5.4263 6.1656 6.1656 6.2878 6.2878 6.9715 6.9715 7.3768 7.3768 10.0476 10.0476 k = 0.5149 0.2641 0.2090 ( 6571 PWs) bands (ev): -65.1611 -65.1611 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9367 -9.9367 -9.7689 -9.7689 0.0346 0.0346 0.5889 0.5889 1.9918 1.9918 2.2778 2.2778 2.6116 2.6116 2.9466 2.9466 5.4240 5.4240 6.1663 6.1663 6.2896 6.2896 6.9727 6.9727 7.3705 7.3705 10.0382 10.0382 k = 0.5157 0.2645 0.2213 ( 6574 PWs) bands (ev): -65.1613 -65.1613 -37.2526 -37.2526 -36.3182 -36.3182 -36.2278 -36.2278 -9.9388 -9.9388 -9.7666 -9.7666 0.0235 0.0235 0.5782 0.5782 1.9918 1.9918 2.2870 2.2870 2.6297 2.6297 2.9642 2.9642 5.4210 5.4210 6.1658 6.1658 6.2896 6.2896 6.9729 6.9729 7.3642 7.3642 10.0363 10.0363 k = 0.5164 0.2649 0.2337 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9408 -9.9408 -9.7645 -9.7645 0.0140 0.0140 0.5697 0.5697 1.9914 1.9914 2.2944 2.2944 2.6448 2.6448 2.9803 2.9803 5.4192 5.4192 6.1654 6.1654 6.2906 6.2906 6.9730 6.9730 7.3586 7.3586 10.0420 10.0420 k = 0.5171 0.2653 0.2460 ( 6578 PWs) bands (ev): -65.1615 -65.1615 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9425 -9.9425 -9.7626 -9.7626 0.0062 0.0062 0.5632 0.5632 1.9905 1.9905 2.2995 2.2995 2.6572 2.6572 2.9945 2.9945 5.4169 5.4169 6.1648 6.1648 6.2910 6.2910 6.9704 6.9704 7.3532 7.3532 10.0550 10.0550 k = 0.5171 0.2653 0.2460 ( 6578 PWs) bands (ev): -65.1615 -65.1615 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9425 -9.9425 -9.7626 -9.7626 0.0062 0.0062 0.5632 0.5632 1.9905 1.9905 2.2995 2.2995 2.6572 2.6572 2.9945 2.9945 5.4169 5.4169 6.1648 6.1648 6.2910 6.2910 6.9704 6.9704 7.3532 7.3532 10.0550 10.0550 k = 0.5129 0.2631 0.2556 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2525 -37.2525 -36.3181 -36.3181 -36.2279 -36.2279 -9.9438 -9.9438 -9.7605 -9.7605 -0.0013 -0.0013 0.5588 0.5588 1.9891 1.9891 2.3001 2.3001 2.6666 2.6666 3.0059 3.0059 5.4159 5.4159 6.1650 6.1650 6.2917 6.2917 6.9698 6.9698 7.3519 7.3519 10.0694 10.0694 k = 0.5086 0.2609 0.2651 ( 6574 PWs) bands (ev): -65.1613 -65.1613 -37.2526 -37.2526 -36.3181 -36.3181 -36.2279 -36.2279 -9.9447 -9.9447 -9.7590 -9.7590 -0.0067 -0.0067 0.5556 0.5556 1.9879 1.9879 2.3005 2.3005 2.6732 2.6732 3.0144 3.0144 5.4142 5.4142 6.1646 6.1646 6.2920 6.2920 6.9694 6.9694 7.3491 7.3491 10.0876 10.0876 k = 0.5043 0.2587 0.2746 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2525 -37.2525 -36.3181 -36.3181 -36.2279 -36.2279 -9.9452 -9.9452 -9.7581 -9.7581 -0.0099 -0.0099 0.5537 0.5537 1.9872 1.9872 2.3008 2.3008 2.6771 2.6771 3.0196 3.0196 5.4129 5.4129 6.1652 6.1652 6.2930 6.2930 6.9692 6.9692 7.3478 7.3478 10.1081 10.1081 k = 0.5000 0.2565 0.2841 ( 6576 PWs) bands (ev): -65.1614 -65.1614 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9454 -9.9454 -9.7578 -9.7578 -0.0110 -0.0110 0.5531 0.5531 1.9868 1.9868 2.3008 2.3008 2.6783 2.6783 3.0213 3.0213 5.4126 5.4126 6.1645 6.1645 6.2924 6.2924 6.9689 6.9689 7.3467 7.3467 10.1205 10.1205 k = 0.5000 0.2565 0.2841 ( 6576 PWs) bands (ev): -65.1614 -65.1614 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9454 -9.9454 -9.7578 -9.7578 -0.0110 -0.0110 0.5531 0.5531 1.9868 1.9868 2.3008 2.3008 2.6783 2.6783 3.0213 3.0213 5.4126 5.4126 6.1645 6.1645 6.2924 6.2924 6.9689 6.9689 7.3467 7.3467 10.1205 10.1205 k = 0.5057 0.2453 0.2841 ( 6576 PWs) bands (ev): -65.1614 -65.1614 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9450 -9.9450 -9.7576 -9.7576 -0.0099 -0.0099 0.5537 0.5537 1.9858 1.9858 2.3005 2.3005 2.6754 2.6754 3.0185 3.0185 5.4148 5.4148 6.1644 6.1644 6.2926 6.2926 6.9686 6.9686 7.3454 7.3454 10.1249 10.1249 k = 0.5115 0.2341 0.2841 ( 6568 PWs) bands (ev): -65.1609 -65.1609 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9439 -9.9439 -9.7571 -9.7571 -0.0065 -0.0065 0.5556 0.5556 1.9826 1.9826 2.2997 2.2997 2.6665 2.6665 3.0103 3.0103 5.4231 5.4231 6.1672 6.1672 6.2922 6.2922 6.9687 6.9687 7.3415 7.3415 10.1379 10.1379 k = 0.5172 0.2230 0.2841 ( 6564 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3181 -36.3181 -36.2278 -36.2278 -9.9421 -9.9421 -9.7563 -9.7563 -0.0009 -0.0009 0.5587 0.5587 1.9773 1.9773 2.2983 2.2983 2.6515 2.6515 2.9973 2.9973 5.4363 5.4363 6.1678 6.1678 6.2893 6.2893 6.9692 6.9692 7.3359 7.3359 10.1593 10.1593 k = 0.5229 0.2118 0.2841 ( 6564 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9396 -9.9396 -9.7552 -9.7552 0.0068 0.0068 0.5630 0.5630 1.9698 1.9698 2.2960 2.2960 2.6304 2.6304 2.9803 2.9803 5.4531 5.4531 6.1660 6.1660 6.2866 6.2866 6.9695 6.9695 7.3278 7.3278 10.1890 10.1890 k = 0.5286 0.2006 0.2841 ( 6568 PWs) bands (ev): -65.1609 -65.1609 -37.2526 -37.2526 -36.3183 -36.3183 -36.2279 -36.2279 -9.9364 -9.9364 -9.7538 -9.7538 0.0168 0.0168 0.5685 0.5685 1.9599 1.9599 2.2923 2.2923 2.6033 2.6033 2.9606 2.9606 5.4735 5.4735 6.1649 6.1649 6.2825 6.2825 6.9686 6.9686 7.3172 7.3172 10.2263 10.2263 k = 0.5344 0.1895 0.2841 ( 6574 PWs) bands (ev): -65.1613 -65.1613 -37.2527 -37.2527 -36.3184 -36.3184 -36.2280 -36.2280 -9.9326 -9.9326 -9.7521 -9.7521 0.0289 0.0289 0.5753 0.5753 1.9479 1.9479 2.2863 2.2863 2.5711 2.5711 2.9389 2.9389 5.4974 5.4974 6.1625 6.1625 6.2771 6.2771 6.9675 6.9675 7.3058 7.3058 10.2698 10.2698 k = 0.5401 0.1783 0.2841 ( 6574 PWs) bands (ev): -65.1613 -65.1613 -37.2527 -37.2527 -36.3185 -36.3185 -36.2280 -36.2280 -9.9281 -9.9281 -9.7501 -9.7501 0.0432 0.0432 0.5831 0.5831 1.9338 1.9338 2.2767 2.2767 2.5355 2.5355 2.9161 2.9161 5.5239 5.5239 6.1617 6.1617 6.2719 6.2719 6.9662 6.9662 7.2948 7.2948 10.3161 10.3161 k = 0.5458 0.1671 0.2841 ( 6572 PWs) bands (ev): -65.1611 -65.1611 -37.2528 -37.2528 -36.3185 -36.3185 -36.2280 -36.2280 -9.9229 -9.9229 -9.7478 -9.7478 0.0597 0.0597 0.5921 0.5921 1.9176 1.9176 2.2605 2.2605 2.4999 2.4999 2.8926 2.8926 5.5525 5.5525 6.1613 6.1613 6.2663 6.2663 6.9647 6.9647 7.2838 7.2838 10.3617 10.3617 k = 0.5516 0.1560 0.2841 ( 6578 PWs) bands (ev): -65.1615 -65.1615 -37.2529 -37.2529 -36.3187 -36.3187 -36.2281 -36.2281 -9.9172 -9.9172 -9.7453 -9.7453 0.0782 0.0782 0.6022 0.6022 1.8991 1.8991 2.2343 2.2343 2.4686 2.4686 2.8686 2.8686 5.5823 5.5823 6.1589 6.1589 6.2592 6.2592 6.9622 6.9622 7.2725 7.2725 10.4084 10.4084 k = 0.5573 0.1448 0.2841 ( 6572 PWs) bands (ev): -65.1611 -65.1611 -37.2529 -37.2529 -36.3187 -36.3187 -36.2281 -36.2281 -9.9108 -9.9108 -9.7425 -9.7425 0.0988 0.0988 0.6133 0.6133 1.8788 1.8788 2.1953 2.1953 2.4455 2.4455 2.8442 2.8442 5.6135 5.6135 6.1588 6.1588 6.2523 6.2523 6.9603 6.9603 7.2643 7.2643 10.4574 10.4574 k = 0.5630 0.1336 0.2841 ( 6570 PWs) bands (ev): -65.1609 -65.1609 -37.2529 -37.2529 -36.3188 -36.3188 -36.2281 -36.2281 -9.9040 -9.9040 -9.7395 -9.7395 0.1215 0.1215 0.6253 0.6253 1.8561 1.8561 2.1435 2.1435 2.4316 2.4316 2.8192 2.8192 5.6458 5.6458 6.1584 6.1584 6.2443 6.2443 6.9575 6.9575 7.2561 7.2561 10.5087 10.5087 k = 0.5687 0.1224 0.2841 ( 6568 PWs) bands (ev): -65.1608 -65.1608 -37.2530 -37.2530 -36.3189 -36.3189 -36.2281 -36.2281 -9.8966 -9.8966 -9.7363 -9.7363 0.1461 0.1461 0.6383 0.6383 1.8310 1.8310 2.0818 2.0818 2.4253 2.4253 2.7937 2.7937 5.6785 5.6785 6.1579 6.1579 6.2356 6.2356 6.9544 6.9544 7.2492 7.2492 10.5620 10.5620 k = 0.5745 0.1113 0.2841 ( 6576 PWs) bands (ev): -65.1612 -65.1612 -37.2532 -37.2532 -36.3191 -36.3191 -36.2282 -36.2282 -9.8889 -9.8889 -9.7329 -9.7329 0.1726 0.1726 0.6521 0.6521 1.8028 1.8028 2.0141 2.0141 2.4243 2.4243 2.7675 2.7675 5.7096 5.7096 6.1554 6.1554 6.2255 6.2255 6.9502 6.9502 7.2437 7.2437 10.6171 10.6171 k = 0.5802 0.1001 0.2841 ( 6576 PWs) bands (ev): -65.1612 -65.1612 -37.2532 -37.2532 -36.3193 -36.3193 -36.2283 -36.2283 -9.8806 -9.8806 -9.7293 -9.7293 0.2010 0.2010 0.6666 0.6666 1.7706 1.7706 1.9445 1.9445 2.4268 2.4268 2.7407 2.7407 5.7424 5.7424 6.1536 6.1536 6.2158 6.2158 6.9451 6.9451 7.2417 7.2417 10.6736 10.6736 k = 0.5859 0.0889 0.2841 ( 6566 PWs) bands (ev): -65.1606 -65.1606 -37.2532 -37.2532 -36.3193 -36.3193 -36.2282 -36.2282 -9.8721 -9.8721 -9.7256 -9.7256 0.2313 0.2313 0.6817 0.6817 1.7314 1.7314 1.8778 1.8778 2.4321 2.4321 2.7134 2.7134 5.7748 5.7748 6.1519 6.1519 6.2074 6.2074 6.9416 6.9416 7.2434 7.2434 10.7312 10.7312 k = 0.5917 0.0778 0.2841 ( 6560 PWs) bands (ev): -65.1602 -65.1602 -37.2533 -37.2533 -36.3194 -36.3194 -36.2282 -36.2282 -9.8632 -9.8632 -9.7217 -9.7217 0.2632 0.2632 0.6973 0.6973 1.6811 1.6811 1.8196 1.8196 2.4389 2.4389 2.6858 2.6858 5.8056 5.8056 6.1489 6.1489 6.1987 6.1987 6.9363 6.9363 7.2488 7.2488 10.7898 10.7898 k = 0.5974 0.0666 0.2841 ( 6554 PWs) bands (ev): -65.1598 -65.1598 -37.2533 -37.2533 -36.3194 -36.3194 -36.2282 -36.2282 -9.8541 -9.8541 -9.7178 -9.7178 0.2968 0.2968 0.7132 0.7132 1.6177 1.6177 1.7731 1.7731 2.4468 2.4468 2.6581 2.6581 5.8350 5.8350 6.1442 6.1442 6.1906 6.1906 6.9306 6.9306 7.2576 7.2576 10.8489 10.8489 k = 0.6031 0.0554 0.2841 ( 6560 PWs) bands (ev): -65.1601 -65.1601 -37.2535 -37.2535 -36.3197 -36.3197 -36.2283 -36.2283 -9.8448 -9.8448 -9.7138 -9.7138 0.3319 0.3319 0.7291 0.7291 1.5447 1.5447 1.7357 1.7357 2.4550 2.4550 2.6307 2.6307 5.8619 5.8619 6.1378 6.1378 6.1832 6.1832 6.9229 6.9229 7.2659 7.2659 10.9081 10.9081 k = 0.6088 0.0443 0.2841 ( 6562 PWs) bands (ev): -65.1602 -65.1602 -37.2536 -37.2536 -36.3198 -36.3198 -36.2284 -36.2284 -9.8353 -9.8353 -9.7097 -9.7097 0.3685 0.3685 0.7449 0.7449 1.4670 1.4670 1.7040 1.7040 2.4629 2.4629 2.6042 2.6042 5.8889 5.8889 6.1299 6.1299 6.1774 6.1774 6.9151 6.9151 7.2768 7.2768 10.9673 10.9673 k = 0.6146 0.0331 0.2841 ( 6562 PWs) bands (ev): -65.1602 -65.1602 -37.2537 -37.2537 -36.3200 -36.3200 -36.2284 -36.2284 -9.8258 -9.8258 -9.7057 -9.7057 0.4065 0.4065 0.7602 0.7602 1.3876 1.3876 1.6758 1.6758 2.4692 2.4692 2.5802 2.5802 5.9134 5.9134 6.1206 6.1206 6.1727 6.1727 6.9077 6.9077 7.2915 7.2915 11.0257 11.0257 k = 0.6203 0.0219 0.2841 ( 6564 PWs) bands (ev): -65.1603 -65.1603 -37.2538 -37.2538 -36.3202 -36.3202 -36.2285 -36.2285 -9.8163 -9.8163 -9.7016 -9.7016 0.4455 0.4455 0.7745 0.7745 1.3086 1.3086 1.6503 1.6503 2.4714 2.4714 2.5610 2.5610 5.9357 5.9357 6.1109 6.1109 6.1697 6.1697 6.8988 6.8988 7.3078 7.3078 11.0831 11.0831 k = 0.6260 0.0108 0.2841 ( 6560 PWs) bands (ev): -65.1600 -65.1600 -37.2538 -37.2538 -36.3203 -36.3203 -36.2285 -36.2285 -9.8068 -9.8068 -9.6976 -9.6976 0.4856 0.4856 0.7872 0.7872 1.2314 1.2314 1.6271 1.6271 2.4660 2.4660 2.5503 2.5503 5.9558 5.9558 6.1024 6.1024 6.1675 6.1675 6.8903 6.8903 7.3271 7.3271 11.1385 11.1385 k = 0.6318-0.0004 0.2841 ( 6568 PWs) bands (ev): -65.1604 -65.1604 -37.2540 -37.2540 -36.3205 -36.3205 -36.2286 -36.2286 -9.7974 -9.7974 -9.6937 -9.6937 0.5264 0.5264 0.7973 0.7973 1.1576 1.1576 1.6063 1.6063 2.4518 2.4518 2.5490 2.5490 5.9691 5.9691 6.0959 6.0959 6.1655 6.1655 6.8800 6.8800 7.3457 7.3457 11.1912 11.1912 k = 0.6375-0.0116 0.2841 ( 6564 PWs) bands (ev): -65.1602 -65.1602 -37.2541 -37.2541 -36.3207 -36.3207 -36.2287 -36.2287 -9.7882 -9.7882 -9.6899 -9.6899 0.5676 0.5676 0.8030 0.8030 1.0894 1.0894 1.5882 1.5882 2.4323 2.4323 2.5541 2.5541 5.9780 5.9780 6.0946 6.0946 6.1652 6.1652 6.8704 6.8704 7.3673 7.3673 11.2404 11.2404 k = 0.6432-0.0227 0.2841 ( 6564 PWs) bands (ev): -65.1601 -65.1601 -37.2542 -37.2542 -36.3208 -36.3208 -36.2287 -36.2287 -9.7793 -9.7793 -9.6862 -9.6862 0.6087 0.6087 0.8012 0.8012 1.0304 1.0304 1.5731 1.5731 2.4107 2.4107 2.5623 2.5623 5.9794 5.9794 6.0974 6.0974 6.1652 6.1652 6.8611 6.8611 7.3889 7.3889 11.2848 11.2848 k = 0.6489-0.0339 0.2841 ( 6568 PWs) bands (ev): -65.1603 -65.1603 -37.2543 -37.2543 -36.3210 -36.3210 -36.2288 -36.2288 -9.7708 -9.7708 -9.6827 -9.6827 0.6487 0.6487 0.7870 0.7870 0.9862 0.9862 1.5613 1.5613 2.3889 2.3889 2.5717 2.5717 5.9736 5.9736 6.1036 6.1036 6.1649 6.1649 6.8511 6.8511 7.4120 7.4120 11.3233 11.3233 k = 0.6547-0.0451 0.2841 ( 6566 PWs) bands (ev): -65.1602 -65.1602 -37.2544 -37.2544 -36.3211 -36.3211 -36.2288 -36.2288 -9.7626 -9.7626 -9.6793 -9.6793 0.6848 0.6848 0.7590 0.7590 0.9611 0.9611 1.5533 1.5533 2.3681 2.3681 2.5814 2.5814 5.9649 5.9649 6.1110 6.1110 6.1676 6.1676 6.8407 6.8407 7.4363 7.4363 11.3547 11.3547 k = 0.6604-0.0562 0.2841 ( 6568 PWs) bands (ev): -65.1603 -65.1603 -37.2545 -37.2545 -36.3213 -36.3213 -36.2288 -36.2288 -9.7549 -9.7549 -9.6762 -9.6762 0.6935 0.6935 0.7423 0.7423 0.9533 0.9533 1.5492 1.5492 2.3482 2.3482 2.5911 2.5911 5.9526 5.9526 6.1181 6.1181 6.1719 6.1719 6.8300 6.8300 7.4593 7.4593 11.3777 11.3777 k = 0.6661-0.0674 0.2841 ( 6570 PWs) bands (ev): -65.1604 -65.1604 -37.2546 -37.2546 -36.3215 -36.3215 -36.2289 -36.2289 -9.7477 -9.7477 -9.6733 -9.6733 0.6515 0.6515 0.7650 0.7650 0.9580 0.9580 1.5491 1.5491 2.3300 2.3300 2.6003 2.6003 5.9395 5.9395 6.1234 6.1234 6.1779 6.1779 6.8191 6.8191 7.4816 7.4816 11.3914 11.3914 k = 0.6719-0.0786 0.2841 ( 6574 PWs) bands (ev): -65.1606 -65.1606 -37.2547 -37.2547 -36.3217 -36.3217 -36.2289 -36.2289 -9.7411 -9.7411 -9.6708 -9.6708 0.6004 0.6004 0.7879 0.7879 0.9730 0.9730 1.5532 1.5532 2.3135 2.3135 2.6089 2.6089 5.9251 5.9251 6.1266 6.1266 6.1847 6.1847 6.8082 6.8082 7.5033 7.5033 11.3929 11.3929 k = 0.6776-0.0897 0.2841 ( 6582 PWs) bands (ev): -65.1611 -65.1611 -37.2548 -37.2548 -36.3219 -36.3219 -36.2291 -36.2291 -9.7351 -9.7351 -9.6685 -9.6685 0.5491 0.5491 0.8029 0.8029 0.9974 0.9974 1.5613 1.5613 2.2990 2.2990 2.6167 2.6167 5.9095 5.9095 6.1274 6.1274 6.1925 6.1925 6.7970 6.7970 7.5234 7.5234 11.3545 11.3545 k = 0.6833-0.1009 0.2841 ( 6582 PWs) bands (ev): -65.1611 -65.1611 -37.2549 -37.2549 -36.3220 -36.3220 -36.2290 -36.2290 -9.7299 -9.7299 -9.6665 -9.6665 0.4998 0.4998 0.8101 0.8101 1.0297 1.0297 1.5733 1.5733 2.2865 2.2865 2.6237 2.6237 5.8957 5.8957 6.1284 6.1284 6.1999 6.1999 6.7876 6.7876 7.5420 7.5420 11.2822 11.2822 k = 0.6890-0.1121 0.2841 ( 6578 PWs) bands (ev): -65.1608 -65.1608 -37.2549 -37.2549 -36.3221 -36.3221 -36.2290 -36.2290 -9.7255 -9.7255 -9.6649 -9.6649 0.4534 0.4534 0.8110 0.8110 1.0674 1.0674 1.5888 1.5888 2.2764 2.2764 2.6295 2.6295 5.8819 5.8819 6.1296 6.1296 6.2075 6.2075 6.7783 6.7783 7.5597 7.5597 11.2096 11.2096 k = 0.3110-0.6062 0.3222 ( 6578 PWs) bands (ev): -65.1608 -65.1608 -37.2549 -37.2549 -36.3221 -36.3221 -36.2290 -36.2290 -9.7255 -9.7255 -9.6649 -9.6649 0.4534 0.4534 0.8110 0.8110 1.0674 1.0674 1.5888 1.5888 2.2764 2.2764 2.6295 2.6295 5.8819 5.8819 6.1296 6.1296 6.2075 6.2075 6.7783 6.7783 7.5597 7.5597 11.2096 11.2096 k = 0.3052-0.5950 0.3222 ( 6580 PWs) bands (ev): -65.1609 -65.1609 -37.2550 -37.2550 -36.3223 -36.3223 -36.2290 -36.2290 -9.7219 -9.7219 -9.6636 -9.6636 0.4102 0.4102 0.8075 0.8075 1.1087 1.1087 1.6075 1.6075 2.2683 2.2683 2.6342 2.6342 5.8695 5.8695 6.1290 6.1290 6.2141 6.2141 6.7681 6.7681 7.5733 7.5733 11.1397 11.1397 k = 0.2994-0.5838 0.3222 ( 6574 PWs) bands (ev): -65.1606 -65.1606 -37.2550 -37.2550 -36.3223 -36.3223 -36.2289 -36.2289 -9.7191 -9.7191 -9.6628 -9.6628 0.3708 0.3708 0.8012 0.8012 1.1520 1.1520 1.6291 1.6291 2.2628 2.2628 2.6377 2.6377 5.8580 5.8580 6.1288 6.1288 6.2197 6.2197 6.7596 6.7596 7.5862 7.5862 11.0737 11.0737 k = 0.2937-0.5726 0.3222 ( 6578 PWs) bands (ev): -65.1608 -65.1608 -37.2551 -37.2551 -36.3224 -36.3224 -36.2289 -36.2289 -9.7173 -9.7173 -9.6623 -9.6623 0.3354 0.3354 0.7931 0.7931 1.1961 1.1961 1.6531 1.6531 2.2598 2.2598 2.6398 2.6398 5.8455 5.8455 6.1269 6.1269 6.2223 6.2223 6.7507 6.7507 7.5966 7.5966 11.0117 11.0117 k = 0.2879-0.5613 0.3222 ( 6580 PWs) bands (ev): -65.1609 -65.1609 -37.2551 -37.2551 -36.3225 -36.3225 -36.2289 -36.2289 -9.7164 -9.7164 -9.6623 -9.6623 0.3043 0.3043 0.7840 0.7840 1.2404 1.2404 1.6791 1.6791 2.2589 2.2589 2.6406 2.6406 5.8352 5.8352 6.1254 6.1254 6.2254 6.2254 6.7413 6.7413 7.6018 7.6018 10.9542 10.9542 k = 0.2822-0.5501 0.3222 ( 6582 PWs) bands (ev): -65.1611 -65.1611 -37.2552 -37.2552 -36.3226 -36.3226 -36.2289 -36.2289 -9.7166 -9.7166 -9.6627 -9.6627 0.2776 0.2776 0.7747 0.7747 1.2843 1.2843 1.7069 1.7069 2.2604 2.2604 2.6400 2.6400 5.8251 5.8251 6.1237 6.1237 6.2269 6.2269 6.7327 6.7327 7.6041 7.6041 10.9011 10.9011 k = 0.2764-0.5389 0.3222 ( 6584 PWs) bands (ev): -65.1612 -65.1612 -37.2552 -37.2552 -36.3227 -36.3227 -36.2289 -36.2289 -9.7178 -9.7178 -9.6636 -9.6636 0.2553 0.2553 0.7655 0.7655 1.3276 1.3276 1.7362 1.7362 2.2645 2.2645 2.6380 2.6380 5.8163 5.8163 6.1206 6.1206 6.2282 6.2282 6.7240 6.7240 7.6040 7.6040 10.8524 10.8524 k = 0.2707-0.5277 0.3222 ( 6574 PWs) bands (ev): -65.1606 -65.1606 -37.2551 -37.2551 -36.3225 -36.3225 -36.2289 -36.2289 -9.7200 -9.7200 -9.6649 -9.6649 0.2375 0.2375 0.7568 0.7568 1.3698 1.3698 1.7667 1.7667 2.2711 2.2711 2.6349 2.6349 5.8088 5.8088 6.1181 6.1181 6.2311 6.2311 6.7171 6.7171 7.6021 7.6021 10.8084 10.8084 k = 0.2649-0.5164 0.3222 ( 6564 PWs) bands (ev): -65.1601 -65.1601 -37.2550 -37.2550 -36.3225 -36.3225 -36.2287 -36.2287 -9.7233 -9.7233 -9.6667 -9.6667 0.2244 0.2244 0.7490 0.7490 1.4106 1.4106 1.7982 1.7982 2.2798 2.2798 2.6304 2.6304 5.8036 5.8036 6.1167 6.1167 6.2330 6.2330 6.7094 6.7094 7.5952 7.5952 10.7689 10.7689 k = 0.2591-0.5052 0.3222 ( 6570 PWs) bands (ev): -65.1604 -65.1604 -37.2551 -37.2551 -36.3225 -36.3225 -36.2287 -36.2287 -9.7277 -9.7277 -9.6690 -9.6690 0.2157 0.2157 0.7423 0.7423 1.4499 1.4499 1.8303 1.8303 2.2904 2.2904 2.6247 2.6247 5.7979 5.7979 6.1125 6.1125 6.2336 6.2336 6.7006 6.7006 7.5819 7.5819 10.7339 10.7339 k = 0.2534-0.4940 0.3222 ( 6572 PWs) bands (ev): -65.1606 -65.1606 -37.2551 -37.2551 -36.3225 -36.3225 -36.2287 -36.2287 -9.7331 -9.7331 -9.6717 -9.6717 0.2117 0.2117 0.7368 0.7368 1.4872 1.4872 1.8631 1.8631 2.3031 2.3031 2.6180 2.6180 5.7934 5.7934 6.1087 6.1087 6.2338 6.2338 6.6926 6.6926 7.5661 7.5661 10.7033 10.7033 k = 0.2476-0.4827 0.3222 ( 6570 PWs) bands (ev): -65.1605 -65.1605 -37.2550 -37.2550 -36.3225 -36.3225 -36.2287 -36.2287 -9.7396 -9.7396 -9.6749 -9.6749 0.2121 0.2121 0.7329 0.7329 1.5226 1.5226 1.8964 1.8964 2.3178 2.3178 2.6105 2.6105 5.7910 5.7910 6.1044 6.1044 6.2330 6.2330 6.6853 6.6853 7.5483 7.5483 10.6772 10.6772 k = 0.2419-0.4715 0.3222 ( 6568 PWs) bands (ev): -65.1604 -65.1604 -37.2550 -37.2550 -36.3224 -36.3224 -36.2286 -36.2286 -9.7471 -9.7471 -9.6786 -9.6786 0.2171 0.2171 0.7305 0.7305 1.5557 1.5557 1.9302 1.9302 2.3341 2.3341 2.6023 2.6023 5.7892 5.7892 6.1003 6.1003 6.2342 6.2342 6.6776 6.6776 7.5262 7.5262 10.6555 10.6555 k = 0.2361-0.4603 0.3222 ( 6564 PWs) bands (ev): -65.1602 -65.1602 -37.2549 -37.2549 -36.3224 -36.3224 -36.2284 -36.2284 -9.7557 -9.7557 -9.6827 -9.6827 0.2265 0.2265 0.7299 0.7299 1.5863 1.5863 1.9644 1.9644 2.3517 2.3517 2.5938 2.5938 5.7890 5.7890 6.0963 6.0963 6.2348 6.2348 6.6706 6.6706 7.5013 7.5013 10.6381 10.6381 k = 0.2303-0.4491 0.3222 ( 6566 PWs) bands (ev): -65.1603 -65.1603 -37.2548 -37.2548 -36.3223 -36.3223 -36.2284 -36.2284 -9.7652 -9.7652 -9.6872 -9.6872 0.2401 0.2401 0.7311 0.7311 1.6144 1.6144 1.9988 1.9988 2.3704 2.3704 2.5851 2.5851 5.7891 5.7891 6.0911 6.0911 6.2349 6.2349 6.6624 6.6624 7.4739 7.4739 10.6248 10.6248 k = 0.2246-0.4378 0.3222 ( 6568 PWs) bands (ev): -65.1604 -65.1604 -37.2548 -37.2548 -36.3223 -36.3223 -36.2284 -36.2284 -9.7758 -9.7758 -9.6922 -9.6922 0.2579 0.2579 0.7341 0.7341 1.6399 1.6399 2.0335 2.0335 2.3896 2.3896 2.5768 2.5768 5.7901 5.7901 6.0851 6.0851 6.2362 6.2362 6.6550 6.6550 7.4435 7.4435 10.6156 10.6156 k = 0.2188-0.4266 0.3222 ( 6570 PWs) bands (ev): -65.1606 -65.1606 -37.2547 -37.2547 -36.3222 -36.3222 -36.2283 -36.2283 -9.7872 -9.7872 -9.6976 -9.6976 0.2798 0.2798 0.7390 0.7390 1.6628 1.6628 2.0684 2.0684 2.4088 2.4088 2.5695 2.5695 5.7928 5.7928 6.0789 6.0789 6.2370 6.2370 6.6475 6.6475 7.4112 7.4112 10.6103 10.6103 k = 0.2131-0.4154 0.3222 ( 6564 PWs) bands (ev): -65.1602 -65.1602 -37.2546 -37.2546 -36.3221 -36.3221 -36.2281 -36.2281 -9.7995 -9.7995 -9.7034 -9.7034 0.3055 0.3055 0.7460 0.7460 1.6830 1.6830 2.1035 2.1035 2.4269 2.4269 2.5642 2.5642 5.7956 5.7956 6.0749 6.0749 6.2400 6.2400 6.6402 6.6402 7.3777 7.3777 10.6091 10.6091 k = 0.2073-0.4042 0.3222 ( 6560 PWs) bands (ev): -65.1600 -65.1600 -37.2545 -37.2545 -36.3219 -36.3219 -36.2280 -36.2280 -9.8126 -9.8126 -9.7096 -9.7096 0.3348 0.3348 0.7549 0.7549 1.7007 1.7007 2.1387 2.1387 2.4424 2.4424 2.5623 2.5623 5.7990 5.7990 6.0684 6.0684 6.2429 6.2429 6.6335 6.6335 7.3444 7.3444 10.6115 10.6115 k = 0.2015-0.3929 0.3222 ( 6564 PWs) bands (ev): -65.1603 -65.1603 -37.2544 -37.2544 -36.3218 -36.3218 -36.2280 -36.2280 -9.8266 -9.8266 -9.7161 -9.7161 0.3674 0.3674 0.7658 0.7658 1.7160 1.7160 2.1736 2.1736 2.4535 2.4535 2.5655 2.5655 5.8029 5.8029 6.0606 6.0606 6.2463 6.2463 6.6256 6.6256 7.3081 7.3081 10.6173 10.6173 k = 0.1958-0.3817 0.3222 ( 6562 PWs) bands (ev): -65.1603 -65.1603 -37.2543 -37.2543 -36.3217 -36.3217 -36.2279 -36.2279 -9.8412 -9.8412 -9.7230 -9.7230 0.4030 0.4030 0.7786 0.7786 1.7292 1.7292 2.2084 2.2084 2.4593 2.4593 2.5750 2.5750 5.8068 5.8068 6.0532 6.0532 6.2516 6.2516 6.6190 6.6190 7.2722 7.2722 10.6265 10.6265 k = 0.1900-0.3705 0.3222 ( 6560 PWs) bands (ev): -65.1602 -65.1602 -37.2542 -37.2542 -36.3215 -36.3215 -36.2277 -36.2277 -9.8564 -9.8564 -9.7301 -9.7301 0.4413 0.4413 0.7935 0.7935 1.7406 1.7406 2.2426 2.2426 2.4606 2.4606 2.5901 2.5901 5.8117 5.8117 6.0470 6.0470 6.2547 6.2547 6.6120 6.6120 7.2369 7.2369 10.6387 10.6387 k = 0.1843-0.3593 0.3222 ( 6560 PWs) bands (ev): -65.1602 -65.1602 -37.2541 -37.2541 -36.3214 -36.3214 -36.2276 -36.2276 -9.8722 -9.8722 -9.7376 -9.7376 0.4819 0.4819 0.8102 0.8102 1.7507 1.7507 2.2755 2.2755 2.4594 2.4594 2.6090 2.6090 5.8164 5.8164 6.0390 6.0390 6.2581 6.2581 6.6067 6.6067 7.2018 7.2018 10.6536 10.6536 k = 0.1785-0.3480 0.3222 ( 6548 PWs) bands (ev): -65.1596 -65.1596 -37.2539 -37.2539 -36.3211 -36.3211 -36.2274 -36.2274 -9.8886 -9.8886 -9.7453 -9.7453 0.5242 0.5242 0.8290 0.8290 1.7601 1.7601 2.3062 2.3062 2.4581 2.4581 2.6302 2.6302 5.8218 5.8218 6.0331 6.0331 6.2638 6.2638 6.6025 6.6025 7.1683 7.1683 10.6711 10.6711 k = 0.1728-0.3368 0.3222 ( 6546 PWs) bands (ev): -65.1595 -65.1595 -37.2537 -37.2537 -36.3209 -36.3209 -36.2273 -36.2273 -9.9053 -9.9053 -9.7531 -9.7531 0.5677 0.5677 0.8498 0.8498 1.7693 1.7693 2.3326 2.3326 2.4593 2.4593 2.6527 2.6527 5.8268 5.8268 6.0259 6.0259 6.2658 6.2658 6.5986 6.5986 7.1357 7.1357 10.6904 10.6904 k = 0.1670-0.3256 0.3222 ( 6550 PWs) bands (ev): -65.1598 -65.1598 -37.2536 -37.2536 -36.3208 -36.3208 -36.2272 -36.2272 -9.9224 -9.9224 -9.7612 -9.7612 0.6115 0.6115 0.8724 0.8724 1.7790 1.7790 2.3519 2.3519 2.4660 2.4660 2.6756 2.6756 5.8312 5.8312 6.0170 6.0170 6.2680 6.2680 6.5951 6.5951 7.1034 7.1034 10.7111 10.7111 k = 0.1612-0.3143 0.3222 ( 6558 PWs) bands (ev): -65.1604 -65.1604 -37.2536 -37.2536 -36.3207 -36.3207 -36.2272 -36.2272 -9.9398 -9.9398 -9.7694 -9.7694 0.6550 0.6550 0.8970 0.8970 1.7900 1.7900 2.3621 2.3621 2.4806 2.4806 2.6989 2.6989 5.8347 5.8347 6.0072 6.0072 6.2681 6.2681 6.5928 6.5928 7.0738 7.0738 10.7326 10.7326 k = 0.1555-0.3031 0.3222 ( 6560 PWs) bands (ev): -65.1605 -65.1605 -37.2535 -37.2535 -36.3205 -36.3205 -36.2271 -36.2271 -9.9574 -9.9574 -9.7778 -9.7778 0.6972 0.6972 0.9237 0.9237 1.8033 1.8033 2.3643 2.3643 2.5019 2.5019 2.7222 2.7222 5.8389 5.8389 5.9984 5.9984 6.2674 6.2674 6.5920 6.5920 7.0470 7.0470 10.7543 10.7543 k = 0.1497-0.2919 0.3222 ( 6558 PWs) bands (ev): -65.1605 -65.1605 -37.2533 -37.2533 -36.3203 -36.3203 -36.2269 -36.2269 -9.9752 -9.9752 -9.7862 -9.7862 0.7372 0.7372 0.9525 0.9525 1.8197 1.8197 2.3612 2.3612 2.5266 2.5266 2.7457 2.7457 5.8425 5.8425 5.9906 5.9906 6.2650 6.2650 6.5935 6.5935 7.0237 7.0237 10.7755 10.7755 k = 0.1440-0.2807 0.3222 ( 6556 PWs) bands (ev): -65.1604 -65.1604 -37.2532 -37.2532 -36.3201 -36.3201 -36.2268 -36.2268 -9.9929 -9.9929 -9.7946 -9.7946 0.7741 0.7741 0.9836 0.9836 1.8400 1.8400 2.3552 2.3552 2.5522 2.5522 2.7694 2.7694 5.8460 5.8460 5.9817 5.9817 6.2608 6.2608 6.5964 6.5964 7.0047 7.0047 10.7953 10.7953 k = 0.1382-0.2694 0.3222 ( 6562 PWs) bands (ev): -65.1608 -65.1608 -37.2531 -37.2531 -36.3200 -36.3200 -36.2268 -36.2268 -10.0107 -10.0107 -9.8031 -9.8031 0.8071 0.8071 1.0168 1.0168 1.8650 1.8650 2.3475 2.3475 2.5767 2.5767 2.7933 2.7933 5.8487 5.8487 5.9714 5.9714 6.2540 6.2540 6.6001 6.6001 6.9880 6.9880 10.8127 10.8127 k = 0.1324-0.2582 0.3222 ( 6560 PWs) bands (ev): -65.1607 -65.1607 -37.2529 -37.2529 -36.3198 -36.3198 -36.2266 -36.2266 -10.0284 -10.0284 -9.8116 -9.8116 0.8354 0.8354 1.0521 1.0521 1.8953 1.8953 2.3389 2.3389 2.5993 2.5993 2.8179 2.8179 5.8504 5.8504 5.9629 5.9629 6.2463 6.2463 6.6057 6.6057 6.9764 6.9764 10.8268 10.8268 k = 0.1267-0.2470 0.3222 ( 6560 PWs) bands (ev): -65.1608 -65.1608 -37.2528 -37.2528 -36.3196 -36.3196 -36.2265 -36.2265 -10.0458 -10.0458 -9.8199 -9.8199 0.8590 0.8590 1.0890 1.0890 1.9311 1.9311 2.3301 2.3301 2.6190 2.6190 2.8433 2.8433 5.8514 5.8514 5.9539 5.9539 6.2369 6.2369 6.6123 6.6123 6.9684 6.9684 10.8364 10.8364 k = 0.1209-0.2358 0.3222 ( 6556 PWs) bands (ev): -65.1606 -65.1606 -37.2526 -37.2526 -36.3193 -36.3193 -36.2264 -36.2264 -10.0631 -10.0631 -9.8282 -9.8282 0.8776 0.8776 1.1276 1.1276 1.9722 1.9722 2.3213 2.3213 2.6355 2.6355 2.8695 2.8695 5.8515 5.8515 5.9458 5.9458 6.2259 6.2259 6.6204 6.6204 6.9658 6.9658 10.8400 10.8400 k = 0.1152-0.2245 0.3222 ( 6548 PWs) bands (ev): -65.1602 -65.1602 -37.2524 -37.2524 -36.3191 -36.3191 -36.2261 -36.2261 -10.0800 -10.0800 -9.8364 -9.8364 0.8917 0.8917 1.1675 1.1675 2.0181 2.0181 2.3132 2.3132 2.6486 2.6486 2.8966 2.8966 5.8513 5.8513 5.9381 5.9381 6.2130 6.2130 6.6302 6.6302 6.9680 6.9680 10.8295 10.8295 k = 0.1094-0.2133 0.3222 ( 6542 PWs) bands (ev): -65.1599 -65.1599 -37.2522 -37.2522 -36.3188 -36.3188 -36.2260 -36.2260 -10.0966 -10.0966 -9.8444 -9.8444 0.9015 0.9015 1.2083 1.2083 2.0673 2.0673 2.3065 2.3065 2.6583 2.6583 2.9243 2.9243 5.8494 5.8494 5.9303 5.9303 6.1988 6.1988 6.6402 6.6402 6.9751 6.9751 10.7920 10.7920 k = 0.1037-0.2021 0.3222 ( 6544 PWs) bands (ev): -65.1600 -65.1600 -37.2521 -37.2521 -36.3187 -36.3187 -36.2259 -36.2259 -10.1127 -10.1127 -9.8522 -9.8522 0.9074 0.9074 1.2501 1.2501 2.1171 2.1171 2.3031 2.3031 2.6650 2.6650 2.9525 2.9525 5.8461 5.8461 5.9219 5.9219 6.1815 6.1815 6.6500 6.6500 6.9861 6.9861 10.7459 10.7459 k = 0.0979-0.1909 0.3222 ( 6544 PWs) bands (ev): -65.1600 -65.1600 -37.2520 -37.2520 -36.3185 -36.3185 -36.2257 -36.2257 -10.1283 -10.1283 -9.8597 -9.8597 0.9100 0.9100 1.2927 1.2927 2.1621 2.1621 2.3071 2.3071 2.6694 2.6694 2.9810 2.9810 5.8414 5.8414 5.9138 5.9138 6.1634 6.1634 6.6605 6.6605 7.0021 7.0021 10.6962 10.6962 k = 0.0921-0.1796 0.3222 ( 6546 PWs) bands (ev): -65.1602 -65.1602 -37.2519 -37.2519 -36.3184 -36.3184 -36.2256 -36.2256 -10.1433 -10.1433 -9.8670 -9.8670 0.9099 0.9099 1.3359 1.3359 2.1935 2.1935 2.3257 2.3257 2.6726 2.6726 3.0095 3.0095 5.8354 5.8354 5.9054 5.9054 6.1450 6.1450 6.6710 6.6710 7.0215 7.0215 10.6438 10.6438 k = 0.0864-0.1684 0.3222 ( 6546 PWs) bands (ev): -65.1602 -65.1602 -37.2517 -37.2517 -36.3182 -36.3182 -36.2255 -36.2255 -10.1577 -10.1577 -9.8741 -9.8741 0.9076 0.9076 1.3801 1.3801 2.2065 2.2065 2.3608 2.3608 2.6766 2.6766 3.0379 3.0379 5.8290 5.8290 5.8966 5.8966 6.1250 6.1250 6.6814 6.6814 7.0472 7.0472 10.5893 10.5893 k = 0.0806-0.1572 0.3222 ( 6550 PWs) bands (ev): -65.1605 -65.1605 -37.2517 -37.2517 -36.3181 -36.3181 -36.2255 -36.2255 -10.1715 -10.1715 -9.8808 -9.8808 0.9035 0.9035 1.4247 1.4247 2.2076 2.2076 2.4020 2.4020 2.6846 2.6846 3.0661 3.0661 5.8201 5.8201 5.8883 5.8883 6.1047 6.1047 6.6917 6.6917 7.0752 7.0752 10.5332 10.5332 k = 0.0749-0.1459 0.3222 ( 6542 PWs) bands (ev): -65.1600 -65.1600 -37.2515 -37.2515 -36.3178 -36.3178 -36.2253 -36.2253 -10.1845 -10.1845 -9.8872 -9.8872 0.8981 0.8981 1.4703 1.4703 2.2036 2.2036 2.4375 2.4375 2.7010 2.7010 3.0941 3.0941 5.8088 5.8088 5.8812 5.8812 6.0863 6.0863 6.7026 6.7026 7.1103 7.1103 10.4761 10.4761 k = 0.0691-0.1347 0.3222 ( 6542 PWs) bands (ev): -65.1601 -65.1601 -37.2514 -37.2514 -36.3177 -36.3177 -36.2252 -36.2252 -10.1968 -10.1968 -9.8932 -9.8932 0.8918 0.8918 1.5162 1.5162 2.1972 2.1972 2.4595 2.4595 2.7296 2.7296 3.1220 3.1220 5.7951 5.7951 5.8751 5.8751 6.0678 6.0678 6.7115 6.7115 7.1463 7.1463 10.4183 10.4183 k = 0.0633-0.1235 0.3222 ( 6544 PWs) bands (ev): -65.1602 -65.1602 -37.2513 -37.2513 -36.3176 -36.3176 -36.2252 -36.2252 -10.2082 -10.2082 -9.8988 -9.8988 0.8850 0.8850 1.5624 1.5624 2.1898 2.1898 2.4660 2.4660 2.7700 2.7700 3.1500 3.1500 5.7794 5.7794 5.8683 5.8683 6.0500 6.0500 6.7206 6.7206 7.1846 7.1846 10.3605 10.3605 k = 0.0576-0.1123 0.3222 ( 6554 PWs) bands (ev): -65.1608 -65.1608 -37.2513 -37.2513 -36.3175 -36.3175 -36.2252 -36.2252 -10.2188 -10.2188 -9.9040 -9.9040 0.8778 0.8778 1.6089 1.6089 2.1821 2.1821 2.4599 2.4599 2.8177 2.8177 3.1782 3.1782 5.7606 5.7606 5.8606 5.8606 6.0329 6.0329 6.7286 6.7286 7.2241 7.2241 10.3032 10.3032 k = 0.0518-0.1010 0.3222 ( 6556 PWs) bands (ev): -65.1610 -65.1610 -37.2512 -37.2512 -36.3174 -36.3174 -36.2251 -36.2251 -10.2284 -10.2284 -9.9087 -9.9087 0.8708 0.8708 1.6556 1.6556 2.1742 2.1742 2.4453 2.4453 2.8675 2.8675 3.2072 3.2072 5.7402 5.7402 5.8553 5.8553 6.0187 6.0187 6.7360 6.7360 7.2653 7.2653 10.2472 10.2472 k = 0.0461-0.0898 0.3222 ( 6558 PWs) bands (ev): -65.1611 -65.1611 -37.2512 -37.2512 -36.3173 -36.3173 -36.2251 -36.2251 -10.2372 -10.2372 -9.9131 -9.9131 0.8639 0.8639 1.7023 1.7023 2.1663 2.1663 2.4249 2.4249 2.9155 2.9155 3.2370 3.2370 5.7190 5.7190 5.8512 5.8512 6.0056 6.0056 6.7428 6.7428 7.3062 7.3062 10.1931 10.1931 k = 0.0403-0.0786 0.3222 ( 6548 PWs) bands (ev): -65.1605 -65.1605 -37.2510 -37.2510 -36.3172 -36.3172 -36.2249 -36.2249 -10.2450 -10.2450 -9.9169 -9.9169 0.8575 0.8575 1.7490 1.7490 2.1585 2.1585 2.4007 2.4007 2.9589 2.9589 3.2676 3.2676 5.6977 5.6977 5.8480 5.8480 5.9963 5.9963 6.7503 6.7503 7.3477 7.3477 10.1419 10.1419 k = 0.0346-0.0674 0.3222 ( 6556 PWs) bands (ev): -65.1610 -65.1610 -37.2510 -37.2510 -36.3172 -36.3172 -36.2249 -36.2249 -10.2518 -10.2518 -9.9203 -9.9203 0.8516 0.8516 1.7950 1.7950 2.1501 2.1501 2.3740 2.3740 2.9962 2.9962 3.2986 3.2986 5.6745 5.6745 5.8437 5.8437 5.9876 5.9876 6.7548 6.7548 7.3849 7.3849 10.0944 10.0944 k = 0.0288-0.0561 0.3222 ( 6556 PWs) bands (ev): -65.1610 -65.1610 -37.2510 -37.2510 -36.3171 -36.3171 -36.2249 -36.2249 -10.2576 -10.2576 -9.9231 -9.9231 0.8464 0.8464 1.8404 1.8404 2.1411 2.1411 2.3464 2.3464 3.0268 3.0268 3.3288 3.3288 5.6532 5.6532 5.8408 5.8408 5.9808 5.9808 6.7601 6.7601 7.4196 7.4196 10.0518 10.0518 k = 0.0230-0.0449 0.3222 ( 6558 PWs) bands (ev): -65.1611 -65.1611 -37.2509 -37.2509 -36.3171 -36.3171 -36.2249 -36.2249 -10.2623 -10.2623 -9.9255 -9.9255 0.8420 0.8420 1.8847 1.8847 2.1306 2.1306 2.3192 2.3192 3.0508 3.0508 3.3568 3.3568 5.6340 5.6340 5.8381 5.8381 5.9752 5.9752 6.7641 6.7641 7.4499 7.4499 10.0150 10.0150 k = 0.0173-0.0337 0.3222 ( 6562 PWs) bands (ev): -65.1614 -65.1614 -37.2509 -37.2509 -36.3171 -36.3171 -36.2249 -36.2249 -10.2661 -10.2661 -9.9274 -9.9274 0.8385 0.8385 1.9274 1.9274 2.1175 2.1175 2.2946 2.2946 3.0687 3.0687 3.3808 3.3808 5.6175 5.6175 5.8356 5.8356 5.9708 5.9708 6.7670 6.7670 7.4748 7.4748 9.9851 9.9851 k = 0.0115-0.0225 0.3222 ( 6560 PWs) bands (ev): -65.1613 -65.1613 -37.2509 -37.2509 -36.3170 -36.3170 -36.2248 -36.2248 -10.2687 -10.2687 -9.9287 -9.9287 0.8360 0.8360 1.9676 1.9676 2.1005 2.1005 2.2747 2.2747 3.0810 3.0810 3.3992 3.3992 5.6060 5.6060 5.8348 5.8348 5.9686 5.9686 6.7696 6.7696 7.4926 7.4926 9.9630 9.9630 k = 0.0058-0.0112 0.3222 ( 6560 PWs) bands (ev): -65.1613 -65.1613 -37.2509 -37.2509 -36.3170 -36.3170 -36.2248 -36.2248 -10.2703 -10.2703 -9.9295 -9.9295 0.8345 0.8345 2.0031 2.0031 2.0797 2.0797 2.2619 2.2619 3.0881 3.0881 3.4108 3.4108 5.5986 5.5986 5.8340 5.8340 5.9670 5.9670 6.7711 6.7711 7.5038 7.5038 9.9494 9.9494 k = 0.0000 0.0000 0.3222 ( 6562 PWs) bands (ev): -65.1614 -65.1614 -37.2509 -37.2509 -36.3170 -36.3170 -36.2248 -36.2248 -10.2709 -10.2709 -9.9297 -9.9297 0.8340 0.8340 2.0229 2.0229 2.0650 2.0650 2.2574 2.2574 3.0905 3.0905 3.4147 3.4147 5.5961 5.5961 5.8334 5.8334 5.9663 5.9663 6.7712 6.7712 7.5074 7.5074 9.9448 9.9448 k = 0.0000 0.0000 0.3222 ( 6562 PWs) bands (ev): -65.1614 -65.1614 -37.2509 -37.2509 -36.3170 -36.3170 -36.2248 -36.2248 -10.2709 -10.2709 -9.9297 -9.9297 0.8340 0.8340 2.0229 2.0229 2.0650 2.0650 2.2574 2.2574 3.0905 3.0905 3.4147 3.4147 5.5961 5.5961 5.8334 5.8334 5.9663 5.9663 6.7712 6.7712 7.5074 7.5074 9.9448 9.9448 k = 0.0112 0.0058 0.3222 ( 6566 PWs) bands (ev): -65.1616 -65.1616 -37.2509 -37.2509 -36.3170 -36.3170 -36.2249 -36.2249 -10.2705 -10.2705 -9.9296 -9.9296 0.8339 0.8339 2.0068 2.0068 2.0751 2.0751 2.2617 2.2617 3.0887 3.0887 3.4127 3.4127 5.5952 5.5952 5.8349 5.8349 5.9676 5.9676 6.7678 6.7678 7.5069 7.5069 9.9510 9.9510 k = 0.0225 0.0115 0.3222 ( 6564 PWs) bands (ev): -65.1615 -65.1615 -37.2509 -37.2509 -36.3170 -36.3170 -36.2249 -36.2249 -10.2693 -10.2693 -9.9290 -9.9290 0.8335 0.8335 1.9753 1.9753 2.0894 2.0894 2.2745 2.2745 3.0832 3.0832 3.4069 3.4069 5.5957 5.5957 5.8363 5.8363 5.9734 5.9734 6.7617 6.7617 7.5059 7.5059 9.9696 9.9696 k = 0.0337 0.0173 0.3222 ( 6565 PWs) bands (ev): -65.1616 -65.1616 -37.2509 -37.2509 -36.3170 -36.3170 -36.2249 -36.2249 -10.2674 -10.2674 -9.9280 -9.9280 0.8328 0.8328 1.9379 1.9379 2.1003 2.1003 2.2934 2.2934 3.0740 3.0740 3.3975 3.3975 5.5961 5.5961 5.8397 5.8397 5.9822 5.9822 6.7494 6.7494 7.5045 7.5045 10.0001 10.0001 k = 0.0449 0.0230 0.3222 ( 6563 PWs) bands (ev): -65.1615 -65.1615 -37.2509 -37.2509 -36.3170 -36.3170 -36.2249 -36.2249 -10.2647 -10.2647 -9.9267 -9.9267 0.8318 0.8318 1.8971 1.8971 2.1075 2.1075 2.3163 2.3163 3.0611 3.0611 3.3850 3.3850 5.5965 5.5965 5.8451 5.8451 5.9947 5.9947 6.7341 6.7341 7.5019 7.5019 10.0420 10.0420 k = 0.0561 0.0288 0.3222 ( 6556 PWs) bands (ev): -65.1611 -65.1611 -37.2509 -37.2509 -36.3170 -36.3170 -36.2248 -36.2248 -10.2612 -10.2612 -9.9250 -9.9250 0.8305 0.8305 1.8540 1.8540 2.1122 2.1122 2.3411 2.3411 3.0445 3.0445 3.3700 3.3700 5.5971 5.5971 5.8519 5.8519 6.0109 6.0109 6.7165 6.7165 7.4990 7.4990 10.0946 10.0946 k = 0.0674 0.0346 0.3222 ( 6560 PWs) bands (ev): -65.1613 -65.1613 -37.2510 -37.2510 -36.3171 -36.3171 -36.2249 -36.2249 -10.2570 -10.2570 -9.9229 -9.9229 0.8285 0.8285 1.8090 1.8090 2.1151 2.1151 2.3662 2.3662 3.0244 3.0244 3.3531 3.3531 5.5964 5.5964 5.8578 5.8578 6.0291 6.0291 6.6946 6.6946 7.4951 7.4951 10.1568 10.1568 k = 0.0786 0.0403 0.3222 ( 6566 PWs) bands (ev): -65.1616 -65.1616 -37.2510 -37.2510 -36.3172 -36.3172 -36.2250 -36.2250 -10.2521 -10.2521 -9.9204 -9.9204 0.8260 0.8260 1.7627 1.7627 2.1166 2.1166 2.3904 2.3904 3.0009 3.0009 3.3347 3.3347 5.5943 5.5943 5.8664 5.8664 6.0498 6.0498 6.6704 6.6704 7.4893 7.4893 10.2271 10.2271 k = 0.0898 0.0461 0.3222 ( 6568 PWs) bands (ev): -65.1617 -65.1617 -37.2511 -37.2511 -36.3172 -36.3172 -36.2250 -36.2250 -10.2465 -10.2465 -9.9177 -9.9177 0.8225 0.8225 1.7155 1.7155 2.1177 2.1177 2.4131 2.4131 2.9745 2.9745 3.3156 3.3156 5.5917 5.5917 5.8769 5.8769 6.0726 6.0726 6.6441 6.6441 7.4849 7.4849 10.3034 10.3034 k = 0.1011 0.0518 0.3222 ( 6568 PWs) bands (ev): -65.1617 -65.1617 -37.2511 -37.2511 -36.3173 -36.3173 -36.2251 -36.2251 -10.2402 -10.2402 -9.9146 -9.9146 0.8183 0.8183 1.6676 1.6676 2.1181 2.1181 2.4336 2.4336 2.9458 2.9458 3.2962 3.2962 5.5898 5.5898 5.8868 5.8868 6.0982 6.0982 6.6172 6.6172 7.4798 7.4798 10.3819 10.3819 k = 0.1123 0.0576 0.3222 ( 6576 PWs) bands (ev): -65.1622 -65.1622 -37.2512 -37.2512 -36.3173 -36.3173 -36.2252 -36.2252 -10.2332 -10.2332 -9.9112 -9.9112 0.8129 0.8129 1.6193 1.6193 2.1179 2.1179 2.4513 2.4513 2.9156 2.9156 3.2767 3.2767 5.5870 5.5870 5.8951 5.8951 6.1248 6.1248 6.5894 6.5894 7.4740 7.4740 10.4559 10.4559 k = 0.1235 0.0634 0.3222 ( 6581 PWs) bands (ev): -65.1624 -65.1624 -37.2513 -37.2513 -36.3174 -36.3174 -36.2253 -36.2253 -10.2256 -10.2256 -9.9075 -9.9075 0.8061 0.8061 1.5709 1.5709 2.1173 2.1173 2.4656 2.4656 2.8847 2.8847 3.2573 3.2573 5.5831 5.5831 5.9062 5.9062 6.1528 6.1528 6.5620 6.5620 7.4674 7.4674 10.5190 10.5190 k = 0.1347 0.0691 0.3222 ( 6576 PWs) bands (ev): -65.1621 -65.1621 -37.2513 -37.2513 -36.3174 -36.3174 -36.2254 -36.2254 -10.2174 -10.2174 -9.9035 -9.9035 0.7978 0.7978 1.5225 1.5225 2.1165 2.1165 2.4761 2.4761 2.8545 2.8545 3.2383 3.2383 5.5806 5.5806 5.9191 5.9191 6.1823 6.1823 6.5359 6.5359 7.4615 7.4615 10.5717 10.5717 k = 0.1460 0.0749 0.3222 ( 6573 PWs) bands (ev): -65.1619 -65.1619 -37.2513 -37.2513 -36.3174 -36.3174 -36.2254 -36.2254 -10.2086 -10.2086 -9.8992 -9.8992 0.7878 0.7878 1.4744 1.4744 2.1152 2.1152 2.4822 2.4822 2.8260 2.8260 3.2197 3.2197 5.5764 5.5764 5.9309 5.9309 6.2128 6.2128 6.5119 6.5119 7.4554 7.4554 10.6179 10.6179 k = 0.1572 0.0806 0.3222 ( 6571 PWs) bands (ev): -65.1618 -65.1618 -37.2514 -37.2514 -36.3175 -36.3175 -36.2254 -36.2254 -10.1993 -10.1993 -9.8948 -9.8948 0.7758 0.7758 1.4267 1.4267 2.1137 2.1137 2.4834 2.4834 2.8002 2.8002 3.2015 3.2015 5.5712 5.5712 5.9439 5.9439 6.2423 6.2423 6.4894 6.4894 7.4497 7.4497 10.6593 10.6593 k = 0.1684 0.0864 0.3222 ( 6567 PWs) bands (ev): -65.1615 -65.1615 -37.2514 -37.2514 -36.3174 -36.3174 -36.2255 -36.2255 -10.1895 -10.1895 -9.8901 -9.8901 0.7616 0.7616 1.3795 1.3795 2.1117 2.1117 2.4794 2.4794 2.7782 2.7782 3.1838 3.1838 5.5671 5.5671 5.9567 5.9567 6.2713 6.2713 6.4697 6.4697 7.4436 7.4436 10.6966 10.6966 k = 0.1797 0.0922 0.3222 ( 6566 PWs) bands (ev): -65.1614 -65.1614 -37.2514 -37.2514 -36.3174 -36.3174 -36.2256 -36.2256 -10.1792 -10.1792 -9.8852 -9.8852 0.7450 0.7450 1.3331 1.3331 2.1093 2.1093 2.4708 2.4708 2.7602 2.7602 3.1665 3.1665 5.5617 5.5617 5.9703 5.9703 6.2971 6.2971 6.4533 6.4533 7.4376 7.4376 10.7291 10.7291 k = 0.1909 0.0979 0.3222 ( 6570 PWs) bands (ev): -65.1616 -65.1616 -37.2515 -37.2515 -36.3175 -36.3175 -36.2258 -36.2258 -10.1686 -10.1686 -9.8802 -9.8802 0.7259 0.7259 1.2875 1.2875 2.1064 2.1064 2.4582 2.4582 2.7460 2.7460 3.1498 3.1498 5.5557 5.5557 5.9837 5.9837 6.3175 6.3175 6.4425 6.4425 7.4314 7.4314 10.7562 10.7562 k = 0.2021 0.1037 0.3222 ( 6578 PWs) bands (ev): -65.1621 -65.1621 -37.2516 -37.2516 -36.3176 -36.3176 -36.2259 -36.2259 -10.1576 -10.1576 -9.8750 -9.8750 0.7042 0.7042 1.2429 1.2429 2.1028 2.1028 2.4429 2.4429 2.7350 2.7350 3.1336 3.1336 5.5488 5.5488 5.9948 5.9948 6.3294 6.3294 6.4432 6.4432 7.4246 7.4246 10.7772 10.7772 k = 0.2134 0.1094 0.3222 ( 6578 PWs) bands (ev): -65.1621 -65.1621 -37.2517 -37.2517 -36.3176 -36.3176 -36.2260 -36.2260 -10.1463 -10.1463 -9.8697 -9.8697 0.6800 0.6800 1.1994 1.1994 2.0989 2.0989 2.4264 2.4264 2.7262 2.7262 3.1180 3.1180 5.5420 5.5420 6.0080 6.0080 6.3316 6.3316 6.4562 6.4562 7.4190 7.4190 10.7914 10.7914 k = 0.2246 0.1152 0.3222 ( 6571 PWs) bands (ev): -65.1616 -65.1616 -37.2516 -37.2516 -36.3176 -36.3176 -36.2261 -36.2261 -10.1347 -10.1347 -9.8644 -9.8644 0.6534 0.6534 1.1570 1.1570 2.0945 2.0945 2.4099 2.4099 2.7189 2.7189 3.1030 3.1030 5.5365 5.5365 6.0199 6.0199 6.3282 6.3282 6.4793 6.4793 7.4139 7.4139 10.7983 10.7983 k = 0.2358 0.1210 0.3222 ( 6565 PWs) bands (ev): -65.1612 -65.1612 -37.2517 -37.2517 -36.3176 -36.3176 -36.2261 -36.2261 -10.1229 -10.1229 -9.8589 -9.8589 0.6244 0.6244 1.1156 1.1156 2.0897 2.0897 2.3944 2.3944 2.7124 2.7124 3.0887 3.0887 5.5294 5.5294 6.0321 6.0321 6.3222 6.3222 6.5069 6.5069 7.4093 7.4093 10.7972 10.7972 k = 0.2470 0.1267 0.3222 ( 6563 PWs) bands (ev): -65.1611 -65.1611 -37.2517 -37.2517 -36.3176 -36.3176 -36.2262 -36.2262 -10.1110 -10.1110 -9.8535 -9.8535 0.5933 0.5933 1.0752 1.0752 2.0843 2.0843 2.3803 2.3803 2.7062 2.7062 3.0750 3.0750 5.5229 5.5229 6.0440 6.0440 6.3163 6.3163 6.5346 6.5346 7.4037 7.4037 10.7875 10.7875 k = 0.2583 0.1325 0.3222 ( 6562 PWs) bands (ev): -65.1610 -65.1610 -37.2517 -37.2517 -36.3176 -36.3176 -36.2263 -36.2263 -10.0990 -10.0990 -9.8480 -9.8480 0.5604 0.5604 1.0359 1.0359 2.0785 2.0785 2.3681 2.3681 2.7000 2.7000 3.0620 3.0620 5.5157 5.5157 6.0552 6.0552 6.3110 6.3110 6.5630 6.5630 7.3987 7.3987 10.7692 10.7692 k = 0.2695 0.1382 0.3222 ( 6560 PWs) bands (ev): -65.1609 -65.1609 -37.2518 -37.2518 -36.3177 -36.3177 -36.2263 -36.2263 -10.0869 -10.0869 -9.8425 -9.8425 0.5260 0.5260 0.9976 0.9976 2.0726 2.0726 2.3582 2.3582 2.6937 2.6937 3.0497 3.0497 5.5084 5.5084 6.0660 6.0660 6.3051 6.3051 6.5941 6.5941 7.3937 7.3937 10.7424 10.7424 k = 0.2807 0.1440 0.3222 ( 6562 PWs) bands (ev): -65.1610 -65.1610 -37.2519 -37.2519 -36.3178 -36.3178 -36.2264 -36.2264 -10.0749 -10.0749 -9.8371 -9.8371 0.4905 0.4905 0.9604 0.9604 2.0665 2.0665 2.3502 2.3502 2.6873 2.6873 3.0382 3.0382 5.5015 5.5015 6.0761 6.0761 6.2994 6.2994 6.6238 6.6238 7.3892 7.3892 10.7073 10.7073 k = 0.2920 0.1498 0.3222 ( 6559 PWs) bands (ev): -65.1608 -65.1608 -37.2519 -37.2519 -36.3178 -36.3178 -36.2265 -36.2265 -10.0630 -10.0630 -9.8317 -9.8317 0.4543 0.4543 0.9241 0.9241 2.0605 2.0605 2.3442 2.3442 2.6807 2.6807 3.0275 3.0275 5.4951 5.4951 6.0867 6.0867 6.2954 6.2954 6.6539 6.6539 7.3848 7.3848 10.6650 10.6650 k = 0.3032 0.1555 0.3222 ( 6561 PWs) bands (ev): -65.1608 -65.1608 -37.2520 -37.2520 -36.3179 -36.3179 -36.2266 -36.2266 -10.0513 -10.0513 -9.8265 -9.8265 0.4176 0.4176 0.8890 0.8890 2.0547 2.0547 2.3399 2.3399 2.6742 2.6742 3.0175 3.0175 5.4880 5.4880 6.0960 6.0960 6.2919 6.2919 6.6831 6.6831 7.3809 7.3809 10.6170 10.6170 k = 0.3144 0.1613 0.3222 ( 6563 PWs) bands (ev): -65.1609 -65.1609 -37.2520 -37.2520 -36.3179 -36.3179 -36.2267 -36.2267 -10.0398 -10.0398 -9.8213 -9.8213 0.3809 0.3809 0.8551 0.8551 2.0489 2.0489 2.3369 2.3369 2.6677 2.6677 3.0085 3.0085 5.4821 5.4821 6.1042 6.1042 6.2886 6.2886 6.7125 6.7125 7.3766 7.3766 10.5653 10.5653 k = 0.3256 0.1670 0.3222 ( 6557 PWs) bands (ev): -65.1606 -65.1606 -37.2520 -37.2520 -36.3178 -36.3178 -36.2268 -36.2268 -10.0287 -10.0287 -9.8162 -9.8162 0.3446 0.3446 0.8224 0.8224 2.0437 2.0437 2.3351 2.3351 2.6615 2.6615 3.0003 3.0003 5.4767 5.4767 6.1128 6.1128 6.2873 6.2873 6.7407 6.7407 7.3751 7.3751 10.5117 10.5117 k = 0.3369 0.1728 0.3222 ( 6553 PWs) bands (ev): -65.1603 -65.1603 -37.2520 -37.2520 -36.3178 -36.3178 -36.2268 -36.2268 -10.0179 -10.0179 -9.8113 -9.8113 0.3089 0.3089 0.7912 0.7912 2.0388 2.0388 2.3341 2.3341 2.6557 2.6557 2.9931 2.9931 5.4703 5.4703 6.1216 6.1216 6.2871 6.2871 6.7677 6.7677 7.3734 7.3734 10.4579 10.4579 k = 0.3481 0.1786 0.3222 ( 6542 PWs) bands (ev): -65.1596 -65.1596 -37.2520 -37.2520 -36.3178 -36.3178 -36.2268 -36.2268 -10.0076 -10.0076 -9.8065 -9.8065 0.2742 0.2742 0.7615 0.7615 2.0342 2.0342 2.3337 2.3337 2.6504 2.6504 2.9869 2.9869 5.4650 5.4650 6.1299 6.1299 6.2887 6.2887 6.7951 6.7951 7.3723 7.3723 10.4051 10.4051 k = 0.3593 0.1843 0.3222 ( 6549 PWs) bands (ev): -65.1600 -65.1600 -37.2521 -37.2521 -36.3178 -36.3178 -36.2270 -36.2270 -9.9978 -9.9978 -9.8018 -9.8018 0.2406 0.2406 0.7334 0.7334 2.0295 2.0295 2.3333 2.3333 2.6458 2.6458 2.9817 2.9817 5.4589 5.4589 6.1348 6.1348 6.2883 6.2883 6.8195 6.8195 7.3695 7.3695 10.3541 10.3541 k = 0.3706 0.1901 0.3222 ( 6544 PWs) bands (ev): -65.1597 -65.1597 -37.2521 -37.2521 -36.3178 -36.3178 -36.2270 -36.2270 -9.9886 -9.9886 -9.7974 -9.7974 0.2086 0.2086 0.7070 0.7070 2.0252 2.0252 2.3330 2.3330 2.6421 2.6421 2.9775 2.9775 5.4532 5.4532 6.1402 6.1402 6.2906 6.2906 6.8445 6.8445 7.3681 7.3681 10.3058 10.3058 k = 0.3818 0.1958 0.3222 ( 6544 PWs) bands (ev): -65.1597 -65.1597 -37.2521 -37.2521 -36.3178 -36.3178 -36.2271 -36.2271 -9.9801 -9.9801 -9.7930 -9.7930 0.1781 0.1781 0.6826 0.6826 2.0212 2.0212 2.3324 2.3324 2.6393 2.6393 2.9745 2.9745 5.4478 5.4478 6.1449 6.1449 6.2905 6.2905 6.8677 6.8677 7.3673 7.3673 10.2607 10.2607 k = 0.3930 0.2016 0.3222 ( 6556 PWs) bands (ev): -65.1604 -65.1604 -37.2523 -37.2523 -36.3180 -36.3180 -36.2273 -36.2273 -9.9723 -9.9723 -9.7889 -9.7889 0.1495 0.1495 0.6601 0.6601 2.0172 2.0172 2.3311 2.3311 2.6375 2.6375 2.9725 2.9725 5.4422 5.4423 6.1482 6.1482 6.2896 6.2896 6.8865 6.8865 7.3651 7.3651 10.2193 10.2193 k = 0.4042 0.2074 0.3222 ( 6560 PWs) bands (ev): -65.1606 -65.1606 -37.2523 -37.2523 -36.3180 -36.3180 -36.2274 -36.2274 -9.9653 -9.9653 -9.7849 -9.7849 0.1229 0.1229 0.6397 0.6397 2.0133 2.0133 2.3294 2.3294 2.6367 2.6367 2.9717 2.9717 5.4376 5.4376 6.1519 6.1519 6.2895 6.2895 6.9049 6.9049 7.3636 7.3636 10.1821 10.1821 k = 0.4155 0.2131 0.3222 ( 6562 PWs) bands (ev): -65.1607 -65.1607 -37.2524 -37.2524 -36.3180 -36.3180 -36.2275 -36.2275 -9.9592 -9.9592 -9.7811 -9.7811 0.0986 0.0986 0.6216 0.6216 2.0096 2.0096 2.3270 2.3270 2.6370 2.6370 2.9719 2.9719 5.4333 5.4333 6.1559 6.1559 6.2900 6.2900 6.9215 6.9215 7.3619 7.3619 10.1493 10.1493 k = 0.4267 0.2189 0.3222 ( 6562 PWs) bands (ev): -65.1607 -65.1607 -37.2524 -37.2524 -36.3180 -36.3180 -36.2276 -36.2276 -9.9539 -9.9539 -9.7775 -9.7775 0.0767 0.0767 0.6057 0.6057 2.0061 2.0061 2.3239 2.3239 2.6383 2.6383 2.9733 2.9733 5.4301 5.4301 6.1595 6.1595 6.2901 6.2901 6.9364 6.9364 7.3606 7.3606 10.1213 10.1213 k = 0.4379 0.2246 0.3222 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2525 -37.2525 -36.3181 -36.3181 -36.2277 -36.2277 -9.9497 -9.9497 -9.7741 -9.7741 0.0572 0.0572 0.5922 0.5922 2.0026 2.0026 2.3200 2.3200 2.6405 2.6405 2.9757 2.9757 5.4267 5.4267 6.1611 6.1611 6.2881 6.2881 6.9479 6.9479 7.3584 7.3584 10.0980 10.0980 k = 0.4492 0.2304 0.3222 ( 6577 PWs) bands (ev): -65.1615 -65.1615 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9464 -9.9464 -9.7708 -9.7708 0.0404 0.0404 0.5812 0.5812 1.9993 1.9993 2.3155 2.3155 2.6436 2.6436 2.9791 2.9791 5.4236 5.4236 6.1630 6.1630 6.2882 6.2882 6.9566 6.9566 7.3567 7.3567 10.0799 10.0799 k = 0.4604 0.2362 0.3222 ( 6572 PWs) bands (ev): -65.1612 -65.1612 -37.2525 -37.2525 -36.3182 -36.3182 -36.2278 -36.2278 -9.9441 -9.9441 -9.7678 -9.7678 0.0263 0.0263 0.5726 0.5726 1.9963 1.9963 2.3107 2.3107 2.6475 2.6475 2.9834 2.9834 5.4214 5.4214 6.1651 6.1651 6.2899 6.2899 6.9645 6.9645 7.3560 7.3560 10.0667 10.0667 k = 0.4716 0.2419 0.3222 ( 6577 PWs) bands (ev): -65.1615 -65.1615 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9428 -9.9428 -9.7651 -9.7651 0.0148 0.0148 0.5666 0.5666 1.9933 1.9933 2.3052 2.3052 2.6520 2.6520 2.9886 2.9886 5.4183 5.4183 6.1658 6.1658 6.2901 6.2901 6.9683 6.9683 7.3545 7.3545 10.0585 10.0585 k = 0.4829 0.2477 0.3222 ( 6578 PWs) bands (ev): -65.1615 -65.1615 -37.2526 -37.2526 -36.3182 -36.3182 -36.2279 -36.2279 -9.9425 -9.9425 -9.7626 -9.7626 0.0062 0.0062 0.5632 0.5632 1.9905 1.9905 2.2995 2.2995 2.6572 2.6572 2.9945 2.9945 5.4169 5.4169 6.1648 6.1648 6.2910 6.2910 6.9704 6.9704 7.3532 7.3532 10.0550 10.0550 k = 0.5000 0.2565-0.0381 ( 6558 PWs) bands (ev): -65.1604 -65.1604 -37.2525 -37.2525 -36.3182 -36.3182 -36.2275 -36.2275 -9.8860 -9.8860 -9.8249 -9.8249 0.3258 0.3258 0.9522 0.9522 1.8323 1.8323 1.9690 1.9690 2.2098 2.2098 2.6957 2.6957 5.4642 5.4642 6.1722 6.1722 6.2860 6.2860 6.9120 6.9120 7.5076 7.5076 11.0432 11.0432 k = 0.5057 0.2453-0.0381 ( 6562 PWs) bands (ev): -65.1607 -65.1607 -37.2525 -37.2525 -36.3183 -36.3183 -36.2275 -36.2275 -9.8857 -9.8857 -9.8247 -9.8247 0.3267 0.3267 0.9526 0.9526 1.8321 1.8321 1.9673 1.9673 2.2112 2.2112 2.6907 2.6907 5.4664 5.4664 6.1714 6.1714 6.2854 6.2854 6.9111 6.9111 7.5047 7.5047 11.0456 11.0456 k = 0.5115 0.2341-0.0381 ( 6562 PWs) bands (ev): -65.1606 -65.1606 -37.2525 -37.2525 -36.3183 -36.3183 -36.2275 -36.2275 -9.8848 -9.8848 -9.8240 -9.8240 0.3295 0.3295 0.9538 0.9538 1.8314 1.8314 1.9626 1.9626 2.2151 2.2151 2.6758 2.6758 5.4754 5.4754 6.1706 6.1706 6.2845 6.2845 6.9101 6.9101 7.4962 7.4962 11.0531 11.0531 k = 0.5172 0.2229-0.0381 ( 6562 PWs) bands (ev): -65.1606 -65.1606 -37.2525 -37.2525 -36.3183 -36.3183 -36.2276 -36.2276 -9.8832 -9.8832 -9.8229 -9.8229 0.3341 0.3341 0.9557 0.9557 1.8300 1.8300 1.9557 1.9557 2.2208 2.2208 2.6515 2.6515 5.4903 5.4903 6.1696 6.1696 6.2821 6.2821 6.9089 6.9089 7.4819 7.4819 11.0651 11.0651 k = 0.5230 0.2116-0.0381 ( 6568 PWs) bands (ev): -65.1610 -65.1610 -37.2526 -37.2526 -36.3184 -36.3184 -36.2277 -36.2277 -9.8811 -9.8811 -9.8213 -9.8213 0.3404 0.3404 0.9584 0.9584 1.8271 1.8271 1.9477 1.9477 2.2270 2.2270 2.6186 2.6186 5.5108 5.5108 6.1696 6.1696 6.2792 6.2792 6.9048 6.9048 7.4598 7.4598 11.0812 11.0812 k = 0.5287 0.2004-0.0381 ( 6566 PWs) bands (ev): -65.1609 -65.1609 -37.2526 -37.2526 -36.3184 -36.3184 -36.2277 -36.2277 -9.8784 -9.8784 -9.8193 -9.8193 0.3486 0.3486 0.9618 0.9618 1.8224 1.8224 1.9400 1.9400 2.2337 2.2337 2.5783 2.5783 5.5353 5.5353 6.1693 6.1693 6.2752 6.2752 6.9019 6.9019 7.4368 7.4368 11.1007 11.1007 k = 0.5345 0.1892-0.0381 ( 6564 PWs) bands (ev): -65.1607 -65.1607 -37.2526 -37.2526 -36.3184 -36.3184 -36.2277 -36.2277 -9.8751 -9.8751 -9.8169 -9.8169 0.3585 0.3585 0.9659 0.9659 1.8152 1.8152 1.9339 1.9339 2.2388 2.2388 2.5320 2.5320 5.5646 5.5646 6.1693 6.1693 6.2712 6.2712 6.8979 6.8979 7.4087 7.4087 11.1227 11.1227 k = 0.5402 0.1780-0.0381 ( 6554 PWs) bands (ev): -65.1601 -65.1601 -37.2526 -37.2526 -36.3184 -36.3184 -36.2276 -36.2276 -9.8713 -9.8713 -9.8140 -9.8140 0.3702 0.3702 0.9706 0.9706 1.8050 1.8050 1.9302 1.9302 2.2406 2.2406 2.4822 2.4822 5.5976 5.5976 6.1712 6.1712 6.2670 6.2670 6.8939 6.8939 7.3784 7.3784 11.1460 11.1460 k = 0.5460 0.1668-0.0381 ( 6554 PWs) bands (ev): -65.1601 -65.1601 -37.2526 -37.2526 -36.3185 -36.3185 -36.2277 -36.2277 -9.8669 -9.8669 -9.8107 -9.8107 0.3834 0.3834 0.9757 0.9757 1.7918 1.7918 1.9291 1.9291 2.2358 2.2358 2.4328 2.4328 5.6311 5.6311 6.1699 6.1699 6.2620 6.2620 6.8881 6.8881 7.3468 7.3468 11.1689 11.1689 k = 0.5517 0.1556-0.0381 ( 6550 PWs) bands (ev): -65.1599 -65.1599 -37.2527 -37.2527 -36.3185 -36.3185 -36.2277 -36.2277 -9.8621 -9.8621 -9.8071 -9.8071 0.3982 0.3982 0.9813 0.9813 1.7761 1.7761 1.9305 1.9305 2.2185 2.2185 2.3904 2.3904 5.6674 5.6674 6.1710 6.1710 6.2564 6.2564 6.8819 6.8819 7.3124 7.3124 11.1900 11.1900 k = 0.5575 0.1444-0.0381 ( 6544 PWs) bands (ev): -65.1595 -65.1595 -37.2527 -37.2527 -36.3186 -36.3186 -36.2276 -36.2276 -9.8568 -9.8568 -9.8030 -9.8030 0.4145 0.4145 0.9873 0.9873 1.7585 1.7585 1.9341 1.9341 2.1830 2.1830 2.3617 2.3617 5.7049 5.7049 6.1714 6.1714 6.2508 6.2508 6.8756 6.8756 7.2779 7.2779 11.2076 11.2076 k = 0.5632 0.1332-0.0381 ( 6546 PWs) bands (ev): -65.1596 -65.1596 -37.2528 -37.2528 -36.3187 -36.3187 -36.2277 -36.2277 -9.8511 -9.8511 -9.7986 -9.7986 0.4322 0.4322 0.9933 0.9933 1.7394 1.7394 1.9390 1.9390 2.1306 2.1306 2.3463 2.3463 5.7416 5.7416 6.1702 6.1702 6.2435 6.2435 6.8677 6.8677 7.2441 7.2441 11.2201 11.2201 k = 0.5690 0.1220-0.0381 ( 6548 PWs) bands (ev): -65.1597 -65.1597 -37.2529 -37.2529 -36.3188 -36.3188 -36.2278 -36.2278 -9.8450 -9.8450 -9.7939 -9.7939 0.4511 0.4511 0.9994 0.9994 1.7189 1.7189 1.9448 1.9448 2.0684 2.0684 2.3385 2.3385 5.7785 5.7785 6.1697 6.1697 6.2361 6.2361 6.8590 6.8590 7.2102 7.2102 11.2264 11.2264 k = 0.5747 0.1108-0.0381 ( 6552 PWs) bands (ev): -65.1599 -65.1599 -37.2530 -37.2530 -36.3190 -36.3190 -36.2279 -36.2279 -9.8386 -9.8386 -9.7888 -9.7888 0.4710 0.4710 1.0054 1.0054 1.6969 1.6969 1.9495 1.9495 2.0043 2.0043 2.3338 2.3338 5.8148 5.8148 6.1687 6.1687 6.2283 6.2283 6.8495 6.8495 7.1773 7.1773 11.2255 11.2255 k = 0.5805 0.0996-0.0381 ( 6556 PWs) bands (ev): -65.1601 -65.1601 -37.2531 -37.2531 -36.3191 -36.3191 -36.2280 -36.2280 -9.8319 -9.8319 -9.7835 -9.7835 0.4918 0.4918 1.0109 1.0109 1.6730 1.6730 1.9255 1.9255 1.9696 1.9696 2.3300 2.3300 5.8491 5.8491 6.1670 6.1670 6.2202 6.2202 6.8394 6.8394 7.1483 7.1483 11.2168 11.2168 k = 0.5862 0.0884-0.0381 ( 6560 PWs) bands (ev): -65.1604 -65.1604 -37.2532 -37.2532 -36.3193 -36.3193 -36.2281 -36.2281 -9.8249 -9.8249 -9.7779 -9.7779 0.5133 0.5133 1.0158 1.0158 1.6455 1.6455 1.8668 1.8668 1.9741 1.9741 2.3258 2.3258 5.8815 5.8815 6.1644 6.1644 6.2132 6.2132 6.8292 6.8292 7.1213 7.1213 11.2010 11.2010 k = 0.5920 0.0772-0.0381 ( 6566 PWs) bands (ev): -65.1607 -65.1607 -37.2534 -37.2534 -36.3195 -36.3195 -36.2282 -36.2282 -9.8178 -9.8178 -9.7720 -9.7720 0.5350 0.5350 1.0197 1.0197 1.6120 1.6120 1.8124 1.8124 1.9824 1.9824 2.3208 2.3208 5.9124 5.9124 6.1607 6.1607 6.2075 6.2075 6.8186 6.8186 7.0957 7.0957 11.1784 11.1784 k = 0.5977 0.0660-0.0381 ( 6564 PWs) bands (ev): -65.1605 -65.1605 -37.2534 -37.2534 -36.3196 -36.3196 -36.2283 -36.2283 -9.8105 -9.8105 -9.7659 -9.7659 0.5567 0.5567 1.0223 1.0223 1.5708 1.5708 1.7692 1.7692 1.9915 1.9915 2.3148 2.3148 5.9405 5.9405 6.1561 6.1561 6.2045 6.2045 6.8085 6.8085 7.0755 7.0755 11.1498 11.1498 k = 0.6035 0.0548-0.0381 ( 6570 PWs) bands (ev): -65.1609 -65.1609 -37.2536 -37.2536 -36.3198 -36.3198 -36.2284 -36.2284 -9.8032 -9.8032 -9.7596 -9.7596 0.5778 0.5778 1.0233 1.0233 1.5223 1.5223 1.7381 1.7381 2.0006 2.0006 2.3077 2.3077 5.9638 5.9638 6.1509 6.1509 6.2035 6.2035 6.7954 6.7954 7.0585 7.0585 11.1163 11.1163 k = 0.6092 0.0436-0.0381 ( 6578 PWs) bands (ev): -65.1613 -65.1613 -37.2537 -37.2537 -36.3200 -36.3200 -36.2286 -36.2286 -9.7959 -9.7959 -9.7531 -9.7531 0.5976 0.5976 1.0222 1.0222 1.4701 1.4701 1.7175 1.7175 2.0097 2.0097 2.2995 2.2995 5.9808 5.9808 6.1458 6.1458 6.2031 6.2031 6.7834 6.7834 7.0457 7.0457 11.0788 11.0788 k = 0.6150 0.0324-0.0381 ( 6580 PWs) bands (ev): -65.1614 -65.1614 -37.2538 -37.2538 -36.3202 -36.3202 -36.2286 -36.2286 -9.7887 -9.7887 -9.7465 -9.7465 0.6151 0.6151 1.0187 1.0187 1.4187 1.4187 1.7046 1.7046 2.0186 2.0186 2.2903 2.2903 5.9932 5.9932 6.1437 6.1437 6.2052 6.2052 6.7719 6.7719 7.0360 7.0360 11.0386 11.0386 k = 0.6207 0.0212-0.0381 ( 6580 PWs) bands (ev): -65.1614 -65.1614 -37.2539 -37.2539 -36.3204 -36.3204 -36.2287 -36.2287 -9.7815 -9.7815 -9.7398 -9.7398 0.6290 0.6290 1.0128 1.0128 1.3715 1.3715 1.6976 1.6976 2.0271 2.0271 2.2804 2.2804 6.0003 6.0003 6.1446 6.1446 6.2084 6.2084 6.7603 6.7603 7.0300 7.0300 10.9965 10.9965 k = 0.6264 0.0099-0.0381 ( 6576 PWs) bands (ev): -65.1611 -65.1611 -37.2540 -37.2540 -36.3205 -36.3205 -36.2287 -36.2287 -9.7746 -9.7746 -9.7330 -9.7330 0.6379 0.6379 1.0047 1.0047 1.3313 1.3313 1.6955 1.6955 2.0352 2.0352 2.2698 2.2698 6.0012 6.0012 6.1483 6.1483 6.2126 6.2126 6.7494 6.7494 7.0292 7.0292 10.9534 10.9534 k = 0.6322-0.0013-0.0381 ( 6580 PWs) bands (ev): -65.1614 -65.1614 -37.2541 -37.2541 -36.3207 -36.3207 -36.2287 -36.2287 -9.7679 -9.7679 -9.7262 -9.7262 0.6399 0.6399 0.9955 0.9955 1.2996 1.2996 1.6972 1.6972 2.0424 2.0424 2.2589 2.2589 5.9963 5.9963 6.1533 6.1533 6.2170 6.2170 6.7384 6.7384 7.0296 7.0296 10.9101 10.9101 k = 0.6379-0.0125-0.0381 ( 6572 PWs) bands (ev): -65.1609 -65.1609 -37.2542 -37.2542 -36.3208 -36.3208 -36.2287 -36.2287 -9.7616 -9.7616 -9.7193 -9.7193 0.6335 0.6335 0.9870 0.9870 1.2770 1.2770 1.7026 1.7026 2.0489 2.0489 2.2478 2.2478 5.9882 5.9882 6.1613 6.1613 6.2235 6.2235 6.7279 6.7279 7.0360 7.0360 10.8672 10.8672 k = 0.6437-0.0237-0.0381 ( 6568 PWs) bands (ev): -65.1606 -65.1606 -37.2542 -37.2542 -36.3209 -36.3209 -36.2287 -36.2287 -9.7556 -9.7556 -9.7125 -9.7125 0.6179 0.6179 0.9805 0.9805 1.2631 1.2631 1.7111 1.7111 2.0545 2.0545 2.2369 2.2369 5.9772 5.9772 6.1686 6.1686 6.2293 6.2293 6.7177 6.7177 7.0455 7.0455 10.8251 10.8251 k = 0.6494-0.0349-0.0381 ( 6568 PWs) bands (ev): -65.1606 -65.1606 -37.2543 -37.2543 -36.3211 -36.3211 -36.2288 -36.2288 -9.7501 -9.7501 -9.7057 -9.7057 0.5939 0.5939 0.9765 0.9765 1.2572 1.2572 1.7223 1.7223 2.0591 2.0591 2.2263 2.2263 5.9646 5.9646 6.1742 6.1742 6.2342 6.2342 6.7076 6.7076 7.0579 7.0579 10.7846 10.7846 k = 0.6552-0.0461-0.0381 ( 6576 PWs) bands (ev): -65.1610 -65.1610 -37.2545 -37.2545 -36.3213 -36.3213 -36.2289 -36.2289 -9.7451 -9.7451 -9.6990 -9.6990 0.5632 0.5632 0.9747 0.9747 1.2581 1.2581 1.7359 1.7359 2.0628 2.0628 2.2162 2.2162 5.9499 5.9499 6.1780 6.1780 6.2378 6.2378 6.6974 6.6974 7.0727 7.0727 10.7457 10.7457 k = 0.6609-0.0573-0.0381 ( 6576 PWs) bands (ev): -65.1610 -65.1610 -37.2546 -37.2546 -36.3214 -36.3214 -36.2289 -36.2289 -9.7408 -9.7408 -9.6924 -9.6924 0.5282 0.5282 0.9740 0.9740 1.2650 1.2650 1.7517 1.7517 2.0657 2.0657 2.2068 2.2068 5.9351 5.9351 6.1830 6.1830 6.2430 6.2430 6.6873 6.6873 7.0907 7.0907 10.7093 10.7093 k = 0.6667-0.0685-0.0381 ( 6584 PWs) bands (ev): -65.1614 -65.1614 -37.2547 -37.2547 -36.3217 -36.3217 -36.2290 -36.2290 -9.7371 -9.7371 -9.6860 -9.6860 0.4908 0.4908 0.9735 0.9735 1.2768 1.2768 1.7691 1.7691 2.0680 2.0680 2.1982 2.1982 5.9201 5.9201 6.1853 6.1853 6.2455 6.2455 6.6775 6.6775 7.1106 7.1106 10.6753 10.6753 k = 0.6724-0.0797-0.0381 ( 6578 PWs) bands (ev): -65.1611 -65.1611 -37.2547 -37.2547 -36.3217 -36.3217 -36.2290 -36.2290 -9.7341 -9.7341 -9.6797 -9.6797 0.4528 0.4528 0.9726 0.9726 1.2926 1.2926 1.7879 1.7879 2.0702 2.0702 2.1907 2.1907 5.9063 5.9063 6.1880 6.1880 6.2485 6.2485 6.6699 6.6699 7.1355 7.1355 10.6442 10.6442 k = 0.6782-0.0909-0.0381 ( 6570 PWs) bands (ev): -65.1606 -65.1606 -37.2547 -37.2547 -36.3218 -36.3218 -36.2289 -36.2289 -9.7319 -9.7319 -9.6736 -9.6736 0.4156 0.4156 0.9711 0.9711 1.3113 1.3113 1.8077 1.8077 2.0726 2.0726 2.1841 2.1841 5.8927 5.8927 6.1907 6.1907 6.2512 6.2512 6.6624 6.6624 7.1620 7.1620 10.6165 10.6165 k = 0.6839-0.1021-0.0381 ( 6568 PWs) bands (ev): -65.1605 -65.1605 -37.2548 -37.2548 -36.3219 -36.3219 -36.2289 -36.2289 -9.7305 -9.7305 -9.6678 -9.6678 0.3800 0.3800 0.9690 0.9690 1.3319 1.3319 1.8279 1.8279 2.0755 2.0755 2.1786 2.1786 5.8790 5.8790 6.1915 6.1915 6.2522 6.2522 6.6549 6.6549 7.1903 7.1903 10.5918 10.5918 k = 0.3161-0.6162-0.0000 ( 6568 PWs) bands (ev): -65.1605 -65.1605 -37.2548 -37.2548 -36.3219 -36.3219 -36.2289 -36.2289 -9.7305 -9.7305 -9.6678 -9.6678 0.3800 0.3800 0.9690 0.9690 1.3319 1.3319 1.8279 1.8279 2.0755 2.0755 2.1786 2.1786 5.8790 5.8790 6.1915 6.1915 6.2522 6.2522 6.6549 6.6549 7.1903 7.1903 10.5918 10.5918 k = 0.3103-0.6050-0.0000 ( 6564 PWs) bands (ev): -65.1603 -65.1603 -37.2548 -37.2548 -36.3220 -36.3220 -36.2289 -36.2289 -9.7300 -9.7300 -9.6622 -9.6622 0.3470 0.3470 0.9665 0.9665 1.3534 1.3534 1.8480 1.8480 2.0796 2.0796 2.1743 2.1743 5.8653 5.8653 6.1928 6.1928 6.2535 6.2535 6.6477 6.6477 7.2193 7.2193 10.5705 10.5705 k = 0.3046-0.5938-0.0000 ( 6570 PWs) bands (ev): -65.1606 -65.1606 -37.2549 -37.2549 -36.3221 -36.3221 -36.2289 -36.2289 -9.7304 -9.7304 -9.6569 -9.6569 0.3168 0.3168 0.9637 0.9637 1.3749 1.3749 1.8675 1.8675 2.0850 2.0850 2.1718 2.1718 5.8517 5.8517 6.1913 6.1913 6.2523 6.2523 6.6398 6.6398 7.2493 7.2493 10.5527 10.5527 k = 0.2988-0.5826-0.0000 ( 6566 PWs) bands (ev): -65.1604 -65.1604 -37.2549 -37.2549 -36.3222 -36.3222 -36.2289 -36.2289 -9.7318 -9.7318 -9.6519 -9.6519 0.2902 0.2902 0.9610 0.9610 1.3956 1.3956 1.8862 1.8862 2.0916 2.0916 2.1718 2.1718 5.8394 5.8394 6.1914 6.1914 6.2526 6.2526 6.6329 6.6329 7.2801 7.2801 10.5387 10.5387 k = 0.2931-0.5714-0.0000 ( 6566 PWs) bands (ev): -65.1604 -65.1604 -37.2550 -37.2550 -36.3223 -36.3223 -36.2289 -36.2289 -9.7342 -9.7342 -9.6472 -9.6472 0.2673 0.2673 0.9584 0.9584 1.4146 1.4146 1.9037 1.9037 2.0990 2.0990 2.1755 2.1755 5.8274 5.8274 6.1908 6.1908 6.2518 6.2518 6.6253 6.6253 7.3114 7.3114 10.5285 10.5285 k = 0.2873-0.5602-0.0000 ( 6558 PWs) bands (ev): -65.1599 -65.1599 -37.2549 -37.2549 -36.3222 -36.3222 -36.2288 -36.2288 -9.7376 -9.7376 -9.6429 -9.6429 0.2484 0.2484 0.9563 0.9563 1.4313 1.4313 1.9201 1.9201 2.1061 2.1061 2.1843 2.1843 5.8167 5.8167 6.1909 6.1909 6.2519 6.2519 6.6181 6.6181 7.3440 7.3440 10.5223 10.5223 k = 0.2816-0.5490-0.0000 ( 6556 PWs) bands (ev): -65.1598 -65.1598 -37.2549 -37.2549 -36.3223 -36.3223 -36.2287 -36.2287 -9.7421 -9.7421 -9.6390 -9.6390 0.2337 0.2337 0.9547 0.9547 1.4448 1.4448 1.9353 1.9353 2.1121 2.1121 2.1989 2.1989 5.8064 5.8064 6.1902 6.1902 6.2510 6.2510 6.6113 6.6113 7.3743 7.3743 10.5200 10.5200 k = 0.2758-0.5378-0.0000 ( 6560 PWs) bands (ev): -65.1600 -65.1600 -37.2550 -37.2550 -36.3224 -36.3224 -36.2288 -36.2288 -9.7476 -9.7476 -9.6355 -9.6355 0.2233 0.2233 0.9537 0.9537 1.4547 1.4547 1.9499 1.9499 2.1174 2.1174 2.2190 2.2190 5.7967 5.7967 6.1888 6.1888 6.2492 6.2492 6.6023 6.6023 7.4041 7.4041 10.5217 10.5217 k = 0.2701-0.5266-0.0000 ( 6564 PWs) bands (ev): -65.1603 -65.1603 -37.2550 -37.2550 -36.3224 -36.3224 -36.2288 -36.2288 -9.7543 -9.7543 -9.6324 -9.6324 0.2174 0.2174 0.9536 0.9536 1.4606 1.4606 1.9643 1.9643 2.1227 2.1227 2.2438 2.2438 5.7873 5.7873 6.1877 6.1877 6.2475 6.2475 6.5933 6.5933 7.4324 7.4324 10.5276 10.5276 k = 0.2644-0.5154-0.0000 ( 6560 PWs) bands (ev): -65.1601 -65.1601 -37.2550 -37.2550 -36.3224 -36.3224 -36.2287 -36.2287 -9.7620 -9.7620 -9.6297 -9.6297 0.2161 0.2161 0.9543 0.9543 1.4620 1.4620 1.9789 1.9789 2.1289 2.1289 2.2722 2.2722 5.7801 5.7801 6.1877 6.1877 6.2471 6.2471 6.5846 6.5846 7.4592 7.4592 10.5379 10.5379 k = 0.2586-0.5042-0.0000 ( 6556 PWs) bands (ev): -65.1598 -65.1598 -37.2549 -37.2549 -36.3224 -36.3224 -36.2286 -36.2286 -9.7707 -9.7707 -9.6274 -9.6274 0.2194 0.2194 0.9558 0.9558 1.4589 1.4589 1.9943 1.9943 2.1363 2.1363 2.3035 2.3035 5.7743 5.7743 6.1870 6.1870 6.2460 6.2460 6.5753 6.5753 7.4855 7.4855 10.5524 10.5524 k = 0.2529-0.4930-0.0000 ( 6562 PWs) bands (ev): -65.1602 -65.1602 -37.2550 -37.2550 -36.3225 -36.3225 -36.2286 -36.2286 -9.7806 -9.7806 -9.6255 -9.6255 0.2272 0.2272 0.9583 0.9583 1.4514 1.4514 2.0104 2.0104 2.1451 2.1451 2.3368 2.3368 5.7685 5.7685 6.1849 6.1849 6.2436 6.2436 6.5652 6.5652 7.5082 7.5082 10.5710 10.5710 k = 0.2471-0.4818-0.0000 ( 6564 PWs) bands (ev): -65.1603 -65.1603 -37.2550 -37.2550 -36.3225 -36.3225 -36.2286 -36.2286 -9.7914 -9.7914 -9.6241 -9.6241 0.2397 0.2397 0.9616 0.9616 1.4398 1.4398 2.0278 2.0278 2.1552 2.1552 2.3719 2.3719 5.7641 5.7641 6.1836 6.1836 6.2426 6.2426 6.5543 6.5543 7.5286 7.5286 10.5942 10.5942 k = 0.2414-0.4706-0.0000 ( 6560 PWs) bands (ev): -65.1601 -65.1601 -37.2549 -37.2549 -36.3224 -36.3224 -36.2285 -36.2285 -9.8033 -9.8033 -9.6232 -9.6232 0.2567 0.2567 0.9658 0.9658 1.4245 1.4245 2.0467 2.0467 2.1664 2.1664 2.4084 2.4084 5.7613 5.7613 6.1829 6.1829 6.2431 6.2431 6.5427 6.5427 7.5473 7.5473 10.6218 10.6218 k = 0.2356-0.4594-0.0000 ( 6562 PWs) bands (ev): -65.1602 -65.1602 -37.2549 -37.2549 -36.3224 -36.3224 -36.2284 -36.2284 -9.8162 -9.8162 -9.6226 -9.6226 0.2782 0.2782 0.9708 0.9708 1.4060 1.4060 2.0672 2.0672 2.1784 2.1784 2.4459 2.4459 5.7580 5.7580 6.1806 6.1806 6.2429 6.2429 6.5310 6.5310 7.5631 7.5631 10.6537 10.6537 k = 0.2299-0.4482-0.0000 ( 6560 PWs) bands (ev): -65.1601 -65.1601 -37.2548 -37.2548 -36.3223 -36.3223 -36.2284 -36.2284 -9.8300 -9.8300 -9.6226 -9.6226 0.3041 0.3041 0.9762 0.9762 1.3852 1.3852 2.0895 2.0895 2.1910 2.1910 2.4843 2.4843 5.7567 5.7567 6.1767 6.1767 6.2435 6.2435 6.5195 6.5195 7.5771 7.5771 10.6901 10.6901 k = 0.2241-0.4370-0.0000 ( 6554 PWs) bands (ev): -65.1597 -65.1597 -37.2547 -37.2547 -36.3221 -36.3221 -36.2282 -36.2282 -9.8447 -9.8447 -9.6229 -9.6229 0.3343 0.3343 0.9819 0.9819 1.3628 1.3628 2.1133 2.1133 2.2038 2.2038 2.5235 2.5235 5.7565 5.7565 6.1731 6.1731 6.2459 6.2459 6.5084 6.5084 7.5871 7.5871 10.7307 10.7307 k = 0.2184-0.4257-0.0000 ( 6556 PWs) bands (ev): -65.1599 -65.1599 -37.2546 -37.2546 -36.3221 -36.3221 -36.2282 -36.2282 -9.8603 -9.8603 -9.6237 -9.6237 0.3685 0.3685 0.9875 0.9875 1.3399 1.3399 2.1385 2.1385 2.2166 2.2166 2.5631 2.5631 5.7583 5.7583 6.1672 6.1672 6.2465 6.2465 6.4966 6.4966 7.5924 7.5924 10.7755 10.7755 k = 0.2126-0.4145-0.0000 ( 6564 PWs) bands (ev): -65.1604 -65.1604 -37.2546 -37.2546 -36.3220 -36.3220 -36.2282 -36.2282 -9.8766 -9.8766 -9.6249 -9.6249 0.4064 0.4064 0.9923 0.9923 1.3176 1.3176 2.1649 2.1649 2.2293 2.2293 2.6031 2.6031 5.7595 5.7595 6.1592 6.1592 6.2475 6.2475 6.4840 6.4840 7.5946 7.5946 10.8242 10.8242 k = 0.2069-0.4033-0.0000 ( 6568 PWs) bands (ev): -65.1606 -65.1606 -37.2546 -37.2546 -36.3220 -36.3220 -36.2281 -36.2281 -9.8937 -9.8937 -9.6265 -9.6265 0.4477 0.4477 0.9956 0.9956 1.2974 1.2974 2.1919 2.1919 2.2425 2.2425 2.6436 2.6436 5.7624 5.7624 6.1510 6.1510 6.2479 6.2479 6.4719 6.4719 7.5943 7.5943 10.8764 10.8764 k = 0.2011-0.3921-0.0000 ( 6564 PWs) bands (ev): -65.1604 -65.1604 -37.2544 -37.2544 -36.3218 -36.3218 -36.2280 -36.2280 -9.9114 -9.9114 -9.6285 -9.6285 0.4917 0.4917 0.9968 0.9968 1.2810 1.2810 2.2173 2.2173 2.2583 2.2583 2.6842 2.6842 5.7658 5.7658 6.1428 6.1428 6.2499 6.2499 6.4620 6.4620 7.5909 7.5909 10.9317 10.9317 k = 0.1954-0.3809-0.0000 ( 6562 PWs) bands (ev): -65.1603 -65.1603 -37.2543 -37.2543 -36.3216 -36.3216 -36.2279 -36.2279 -9.9298 -9.9298 -9.6309 -9.6309 0.5375 0.5375 0.9954 0.9954 1.2698 1.2698 2.2368 2.2368 2.2803 2.2803 2.7251 2.7251 5.7705 5.7705 6.1339 6.1339 6.2499 6.2499 6.4524 6.4524 7.5846 7.5846 10.9887 10.9887 k = 0.1896-0.3697-0.0000 ( 6548 PWs) bands (ev): -65.1595 -65.1595 -37.2541 -37.2541 -36.3213 -36.3213 -36.2277 -36.2277 -9.9487 -9.9487 -9.6336 -9.6336 0.5835 0.5835 0.9921 0.9921 1.2650 1.2650 2.2494 2.2494 2.3098 2.3098 2.7660 2.7660 5.7775 5.7775 6.1260 6.1260 6.2504 6.2504 6.4451 6.4451 7.5757 7.5757 11.0452 11.0452 k = 0.1839-0.3585-0.0000 ( 6554 PWs) bands (ev): -65.1599 -65.1599 -37.2540 -37.2540 -36.3213 -36.3213 -36.2276 -36.2276 -9.9680 -9.9680 -9.6367 -9.6367 0.6270 0.6270 0.9893 0.9893 1.2670 1.2670 2.2575 2.2575 2.3436 2.3436 2.8068 2.8068 5.7831 5.7831 6.1156 6.1156 6.2446 6.2446 6.4391 6.4391 7.5613 7.5613 11.0959 11.0959 k = 0.1782-0.3473-0.0000 ( 6552 PWs) bands (ev): -65.1598 -65.1598 -37.2539 -37.2539 -36.3211 -36.3211 -36.2275 -36.2275 -9.9878 -9.9878 -9.6400 -9.6400 0.6636 0.6636 0.9916 0.9916 1.2753 1.2753 2.2630 2.2630 2.3801 2.3801 2.8476 2.8476 5.7905 5.7905 6.1050 6.1050 6.2370 6.2370 6.4359 6.4359 7.5462 7.5462 11.1308 11.1308 k = 0.1724-0.3361-0.0000 ( 6554 PWs) bands (ev): -65.1599 -65.1599 -37.2538 -37.2538 -36.3210 -36.3210 -36.2274 -36.2274 -10.0078 -10.0078 -9.6437 -9.6437 0.6878 0.6878 1.0056 1.0056 1.2893 1.2893 2.2666 2.2666 2.4183 2.4183 2.8881 2.8881 5.7975 5.7975 6.0934 6.0934 6.2286 6.2286 6.4336 6.4336 7.5280 7.5280 11.1334 11.1334 k = 0.1667-0.3249-0.0000 ( 6552 PWs) bands (ev): -65.1599 -65.1599 -37.2536 -37.2536 -36.3208 -36.3208 -36.2272 -36.2272 -10.0281 -10.0281 -9.6476 -9.6476 0.6958 0.6958 1.0357 1.0357 1.3081 1.3081 2.2686 2.2686 2.4579 2.4579 2.9285 2.9285 5.8049 5.8049 6.0819 6.0819 6.2184 6.2184 6.4338 6.4338 7.5087 7.5087 11.0962 11.0962 k = 0.1609-0.3137-0.0000 ( 6566 PWs) bands (ev): -65.1607 -65.1607 -37.2536 -37.2536 -36.3207 -36.3207 -36.2273 -36.2273 -10.0485 -10.0485 -9.6517 -9.6517 0.6882 0.6882 1.0816 1.0816 1.3312 1.3312 2.2689 2.2689 2.4986 2.4986 2.9683 2.9683 5.8109 5.8109 6.0676 6.0676 6.2045 6.2045 6.4342 6.4342 7.4868 7.4868 11.0290 11.0290 k = 0.1552-0.3025-0.0000 ( 6574 PWs) bands (ev): -65.1612 -65.1612 -37.2536 -37.2536 -36.3206 -36.3206 -36.2272 -36.2272 -10.0690 -10.0690 -9.6561 -9.6561 0.6695 0.6695 1.1392 1.1392 1.3584 1.3584 2.2682 2.2682 2.5401 2.5401 3.0077 3.0077 5.8172 5.8172 6.0542 6.0542 6.1905 6.1905 6.4378 6.4378 7.4623 7.4623 10.9457 10.9457 k = 0.1494-0.2913-0.0000 ( 6578 PWs) bands (ev): -65.1615 -65.1615 -37.2535 -37.2535 -36.3205 -36.3205 -36.2272 -36.2272 -10.0895 -10.0895 -9.6606 -9.6606 0.6437 0.6437 1.2038 1.2038 1.3903 1.3903 2.2663 2.2663 2.5824 2.5824 3.0467 3.0467 5.8234 5.8234 6.0405 6.0405 6.1748 6.1748 6.4430 6.4430 7.4393 7.4393 10.8532 10.8532 k = 0.1437-0.2801-0.0000 ( 6574 PWs) bands (ev): -65.1613 -65.1613 -37.2533 -37.2533 -36.3203 -36.3203 -36.2270 -36.2270 -10.1099 -10.1099 -9.6653 -9.6653 0.6136 0.6136 1.2707 1.2707 1.4283 1.4283 2.2634 2.2634 2.6252 2.6252 3.0852 3.0852 5.8300 5.8300 6.0285 6.0285 6.1593 6.1593 6.4495 6.4495 7.4163 7.4163 10.7553 10.7553 k = 0.1379-0.2689-0.0000 ( 6580 PWs) bands (ev): -65.1617 -65.1617 -37.2532 -37.2532 -36.3202 -36.3202 -36.2269 -36.2269 -10.1302 -10.1302 -9.6701 -9.6701 0.5811 0.5811 1.3350 1.3350 1.4754 1.4754 2.2598 2.2598 2.6679 2.6679 3.1229 3.1229 5.8345 5.8345 6.0144 6.0144 6.1429 6.1429 6.4567 6.4567 7.3923 7.3923 10.6535 10.6535 k = 0.1322-0.2577-0.0000 ( 6582 PWs) bands (ev): -65.1619 -65.1619 -37.2531 -37.2531 -36.3200 -36.3200 -36.2268 -36.2268 -10.1503 -10.1503 -9.6750 -9.6750 0.5472 0.5472 1.3920 1.3920 1.5350 1.5350 2.2555 2.2555 2.7108 2.7108 3.1599 3.1599 5.8385 5.8385 6.0020 6.0020 6.1258 6.1258 6.4645 6.4645 7.3689 7.3689 10.5493 10.5493 k = 0.1264-0.2465-0.0000 ( 6576 PWs) bands (ev): -65.1616 -65.1616 -37.2529 -37.2529 -36.3198 -36.3198 -36.2266 -36.2266 -10.1700 -10.1700 -9.6800 -9.6800 0.5128 0.5128 1.4404 1.4404 1.6070 1.6070 2.2510 2.2510 2.7536 2.7536 3.1961 3.1961 5.8410 5.8410 5.9905 5.9905 6.1107 6.1107 6.4742 6.4742 7.3472 7.3472 10.4429 10.4429 k = 0.1207-0.2353-0.0000 ( 6570 PWs) bands (ev): -65.1613 -65.1613 -37.2527 -37.2527 -36.3195 -36.3195 -36.2264 -36.2264 -10.1894 -10.1894 -9.6850 -9.6850 0.4783 0.4783 1.4831 1.4831 1.6877 1.6877 2.2464 2.2464 2.7960 2.7960 3.2312 3.2312 5.8424 5.8424 5.9776 5.9776 6.0946 6.0946 6.4845 6.4845 7.3293 7.3293 10.3351 10.3351 k = 0.1149-0.2241-0.0000 ( 6562 PWs) bands (ev): -65.1609 -65.1609 -37.2525 -37.2525 -36.3192 -36.3192 -36.2263 -36.2263 -10.2084 -10.2084 -9.6899 -9.6899 0.4442 0.4442 1.5225 1.5225 1.7736 1.7736 2.2421 2.2421 2.8379 2.8379 3.2652 3.2652 5.8413 5.8413 5.9661 5.9661 6.0801 6.0801 6.4953 6.4953 7.3125 7.3125 10.2262 10.2262 k = 0.1092-0.2129-0.0000 ( 6568 PWs) bands (ev): -65.1613 -65.1613 -37.2524 -37.2524 -36.3191 -36.3191 -36.2262 -36.2262 -10.2269 -10.2269 -9.6949 -9.6949 0.4107 0.4107 1.5599 1.5599 1.8615 1.8615 2.2389 2.2389 2.8791 2.8791 3.2979 3.2979 5.8376 5.8376 5.9526 5.9526 6.0642 6.0642 6.5055 6.5055 7.2963 7.2963 10.1168 10.1168 k = 0.1034-0.2017-0.0000 ( 6564 PWs) bands (ev): -65.1611 -65.1611 -37.2523 -37.2523 -36.3189 -36.3189 -36.2260 -36.2260 -10.2448 -10.2448 -9.6998 -9.6998 0.3781 0.3781 1.5963 1.5963 1.9488 1.9488 2.2382 2.2382 2.9196 2.9196 3.3293 3.3293 5.8329 5.8329 5.9417 5.9417 6.0506 6.0506 6.5163 6.5163 7.2831 7.2831 10.0076 10.0076 k = 0.0977-0.1905-0.0000 ( 6564 PWs) bands (ev): -65.1611 -65.1611 -37.2521 -37.2521 -36.3187 -36.3187 -36.2259 -36.2259 -10.2620 -10.2620 -9.7046 -9.7046 0.3466 0.3466 1.6319 1.6319 2.0313 2.0313 2.2434 2.2434 2.9592 2.9592 3.3591 3.3591 5.8258 5.8258 5.9300 5.9300 6.0380 6.0380 6.5272 6.5272 7.2722 7.2722 9.8986 9.8986 k = 0.0919-0.1793-0.0000 ( 6563 PWs) bands (ev): -65.1611 -65.1611 -37.2520 -37.2520 -36.3186 -36.3186 -36.2258 -36.2258 -10.2786 -10.2786 -9.7093 -9.7093 0.3163 0.3163 1.6666 1.6666 2.0994 2.0994 2.2632 2.2632 2.9980 2.9980 3.3873 3.3873 5.8154 5.8154 5.9191 5.9191 6.0267 6.0267 6.5388 6.5388 7.2643 7.2643 9.7907 9.7907 k = 0.0862-0.1681-0.0000 ( 6563 PWs) bands (ev): -65.1612 -65.1612 -37.2519 -37.2519 -36.3184 -36.3184 -36.2257 -36.2257 -10.2945 -10.2945 -9.7138 -9.7138 0.2873 0.2873 1.7005 1.7005 2.1400 2.1400 2.3099 2.3099 3.0362 3.0362 3.4138 3.4138 5.8025 5.8025 5.9095 5.9095 6.0169 6.0169 6.5496 6.5496 7.2594 7.2594 9.6841 9.6841 k = 0.0805-0.1569-0.0000 ( 6563 PWs) bands (ev): -65.1612 -65.1612 -37.2518 -37.2518 -36.3182 -36.3182 -36.2256 -36.2256 -10.3096 -10.3096 -9.7182 -9.7182 0.2598 0.2598 1.7335 1.7335 2.1562 2.1562 2.3797 2.3797 3.0738 3.0738 3.4385 3.4385 5.7873 5.7873 5.8995 5.8995 6.0077 6.0077 6.5597 6.5597 7.2596 7.2596 9.5797 9.5797 k = 0.0747-0.1457-0.0000 ( 6571 PWs) bands (ev): -65.1617 -65.1617 -37.2517 -37.2517 -36.3182 -36.3182 -36.2255 -36.2255 -10.3239 -10.3239 -9.7224 -9.7224 0.2338 0.2338 1.7647 1.7647 2.1615 2.1615 2.4582 2.4582 3.1111 3.1111 3.4612 3.4612 5.7699 5.7699 5.8901 5.8901 5.9994 5.9994 6.5690 6.5690 7.2599 7.2599 9.4780 9.4780 k = 0.0690-0.1344-0.0000 ( 6563 PWs) bands (ev): -65.1613 -65.1613 -37.2516 -37.2516 -36.3179 -36.3179 -36.2254 -36.2254 -10.3372 -10.3372 -9.7264 -9.7264 0.2095 0.2095 1.7946 1.7946 2.1632 2.1632 2.5373 2.5373 3.1486 3.1486 3.4821 3.4821 5.7516 5.7516 5.8834 5.8834 5.9938 5.9938 6.5793 6.5793 7.2661 7.2661 9.3797 9.3797 k = 0.0632-0.1232-0.0000 ( 6575 PWs) bands (ev): -65.1620 -65.1620 -37.2516 -37.2516 -36.3179 -36.3179 -36.2254 -36.2254 -10.3497 -10.3497 -9.7301 -9.7301 0.1869 0.1869 1.8221 1.8221 2.1637 2.1637 2.6134 2.6134 3.1866 3.1866 3.5010 3.5010 5.7305 5.7305 5.8752 5.8752 5.9858 5.9858 6.5877 6.5877 7.2724 7.2724 9.2856 9.2856 k = 0.0575-0.1120-0.0000 ( 6577 PWs) bands (ev): -65.1621 -65.1621 -37.2515 -37.2515 -36.3178 -36.3178 -36.2253 -36.2253 -10.3612 -10.3612 -9.7336 -9.7336 0.1661 0.1661 1.8475 1.8475 2.1645 2.1645 2.6841 2.6841 3.2254 3.2254 3.5180 3.5180 5.7095 5.7095 5.8680 5.8680 5.9804 5.9804 6.5964 6.5964 7.2825 7.2825 9.1963 9.1963 k = 0.0517-0.1008-0.0000 ( 6575 PWs) bands (ev): -65.1620 -65.1620 -37.2514 -37.2514 -36.3177 -36.3177 -36.2252 -36.2252 -10.3718 -10.3718 -9.7368 -9.7368 0.1470 0.1470 1.8703 1.8703 2.1661 2.1661 2.7479 2.7479 3.2654 3.2654 3.5331 3.5331 5.6882 5.6882 5.8625 5.8625 5.9758 5.9758 6.6045 6.6045 7.2955 7.2955 9.1126 9.1126 k = 0.0460-0.0896-0.0000 ( 6583 PWs) bands (ev): -65.1625 -65.1625 -37.2514 -37.2514 -36.3177 -36.3177 -36.2252 -36.2252 -10.3813 -10.3813 -9.7398 -9.7398 0.1299 0.1299 1.8901 1.8901 2.1685 2.1685 2.8038 2.8038 3.3063 3.3063 3.5466 3.5466 5.6661 5.6661 5.8561 5.8561 5.9705 5.9705 6.6117 6.6117 7.3083 7.3083 9.0352 9.0352 k = 0.0402-0.0784-0.0000 ( 6587 PWs) bands (ev): -65.1628 -65.1628 -37.2514 -37.2514 -36.3177 -36.3177 -36.2252 -36.2252 -10.3897 -10.3897 -9.7424 -9.7424 0.1146 0.1146 1.9070 1.9070 2.1722 2.1722 2.8512 2.8512 3.3474 3.3474 3.5584 3.5584 5.6441 5.6441 5.8498 5.8498 5.9664 5.9664 6.6185 6.6185 7.3236 7.3236 8.9648 8.9648 k = 0.0345-0.0672-0.0000 ( 6585 PWs) bands (ev): -65.1627 -65.1627 -37.2513 -37.2513 -36.3176 -36.3176 -36.2251 -36.2251 -10.3971 -10.3971 -9.7447 -9.7447 0.1014 0.1014 1.9211 1.9211 2.1768 2.1768 2.8903 2.8903 3.3876 3.3876 3.5689 3.5689 5.6237 5.6237 5.8455 5.8455 5.9635 5.9635 6.6244 6.6244 7.3398 7.3398 8.9023 8.9023 k = 0.0287-0.0560-0.0000 ( 6591 PWs) bands (ev): -65.1631 -65.1631 -37.2513 -37.2513 -36.3176 -36.3176 -36.2251 -36.2251 -10.4034 -10.4034 -9.7466 -9.7466 0.0901 0.0901 1.9319 1.9319 2.1816 2.1816 2.9215 2.9215 3.4252 3.4252 3.5782 3.5782 5.6047 5.6047 5.8417 5.8417 5.9601 5.9601 6.6292 6.6292 7.3529 7.3529 8.8480 8.8480 k = 0.0230-0.0448-0.0000 ( 6591 PWs) bands (ev): -65.1631 -65.1631 -37.2513 -37.2513 -36.3175 -36.3175 -36.2251 -36.2251 -10.4085 -10.4085 -9.7483 -9.7483 0.0809 0.0809 1.9404 1.9404 2.1867 2.1867 2.9456 2.9456 3.4583 3.4583 3.5866 3.5866 5.5877 5.5877 5.8389 5.8389 5.9580 5.9580 6.6328 6.6328 7.3669 7.3669 8.8027 8.8027 k = 0.0172-0.0336-0.0000 ( 6587 PWs) bands (ev): -65.1629 -65.1629 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4125 -10.4125 -9.7495 -9.7495 0.0737 0.0737 1.9465 1.9465 2.1913 2.1913 2.9634 2.9634 3.4852 3.4852 3.5941 3.5941 5.5745 5.5745 5.8381 5.8381 5.9565 5.9565 6.6359 6.6359 7.3782 7.3782 8.7670 8.7670 k = 0.0115-0.0224-0.0000 ( 6593 PWs) bands (ev): -65.1632 -65.1632 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4154 -10.4154 -9.7505 -9.7505 0.0685 0.0685 1.9505 1.9505 2.1948 2.1948 2.9756 2.9756 3.5045 3.5045 3.6005 3.6005 5.5636 5.5636 5.8360 5.8360 5.9543 5.9543 6.6387 6.6387 7.3851 7.3851 8.7411 8.7411 k = 0.0057-0.0112-0.0000 ( 6593 PWs) bands (ev): -65.1632 -65.1632 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4172 -10.4172 -9.7510 -9.7510 0.0654 0.0654 1.9528 1.9528 2.1971 2.1971 2.9826 2.9826 3.5159 3.5159 3.6050 3.6050 5.5565 5.5565 5.8359 5.8359 5.9534 5.9534 6.6407 6.6407 7.3898 7.3898 8.7255 8.7255 k = 0.0000 0.0000 0.0000 ( 6595 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4177 -10.4177 -9.7512 -9.7512 0.0644 0.0644 1.9536 1.9536 2.1979 2.1979 2.9849 2.9849 3.5197 3.5197 3.6066 3.6066 5.5540 5.5540 5.8352 5.8352 5.9530 5.9530 6.6410 6.6410 7.3915 7.3915 8.7203 8.7203 k = 0.0000 0.0000 0.0000 ( 6595 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4177 -10.4177 -9.7512 -9.7512 0.0644 0.0644 1.9536 1.9536 2.1979 2.1979 2.9849 2.9849 3.5197 3.5197 3.6066 3.6066 5.5540 5.5540 5.8352 5.8352 5.9530 5.9530 6.6410 6.6410 7.3915 7.3915 8.7203 8.7203 k = 0.0102-0.0073-0.0004 ( 6594 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4172 -10.4172 -9.7510 -9.7510 0.0653 0.0653 1.9528 1.9528 2.1970 2.1970 2.9827 2.9827 3.5160 3.5160 3.6051 3.6051 5.5560 5.5560 5.8358 5.8358 5.9537 5.9537 6.6403 6.6403 7.3903 7.3903 8.7251 8.7251 k = 0.0204-0.0147-0.0008 ( 6589 PWs) bands (ev): -65.1630 -65.1630 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4155 -10.4155 -9.7505 -9.7505 0.0683 0.0683 1.9504 1.9504 2.1945 2.1945 2.9759 2.9759 3.5050 3.5050 3.6008 3.6008 5.5625 5.5625 5.8370 5.8370 5.9559 5.9559 6.6390 6.6390 7.3868 7.3868 8.7398 8.7398 k = 0.0306-0.0220-0.0012 ( 6592 PWs) bands (ev): -65.1632 -65.1632 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4128 -10.4128 -9.7497 -9.7497 0.0733 0.0733 1.9461 1.9461 2.1903 2.1903 2.9642 2.9642 3.4864 3.4864 3.5945 3.5945 5.5708 5.5708 5.8375 5.8375 5.9588 5.9588 6.6362 6.6362 7.3800 7.3800 8.7638 8.7638 k = 0.0408-0.0293-0.0016 ( 6588 PWs) bands (ev): -65.1629 -65.1629 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4089 -10.4089 -9.7486 -9.7486 0.0802 0.0802 1.9402 1.9402 2.1849 2.1849 2.9474 2.9474 3.4606 3.4606 3.5867 3.5867 5.5827 5.5827 5.8394 5.8394 5.9638 5.9638 6.6333 6.6333 7.3715 7.3715 8.7972 8.7972 k = 0.0510-0.0366-0.0019 ( 6587 PWs) bands (ev): -65.1628 -65.1628 -37.2512 -37.2512 -36.3175 -36.3175 -36.2251 -36.2251 -10.4040 -10.4040 -9.7472 -9.7472 0.0890 0.0890 1.9321 1.9321 2.1783 2.1783 2.9249 2.9249 3.4286 3.4286 3.5778 3.5778 5.5970 5.5970 5.8406 5.8406 5.9702 5.9702 6.6291 6.6291 7.3609 7.3609 8.8395 8.8395 k = 0.0612-0.0440-0.0023 ( 6583 PWs) bands (ev): -65.1626 -65.1626 -37.2513 -37.2513 -36.3175 -36.3175 -36.2251 -36.2251 -10.3980 -10.3980 -9.7455 -9.7455 0.0998 0.0998 1.9219 1.9219 2.1710 2.1710 2.8962 2.8962 3.3917 3.3917 3.5677 3.5677 5.6146 5.6146 5.8425 5.8425 5.9781 5.9781 6.6242 6.6242 7.3484 7.3484 8.8905 8.8905 k = 0.0714-0.0513-0.0027 ( 6583 PWs) bands (ev): -65.1626 -65.1626 -37.2513 -37.2513 -36.3176 -36.3176 -36.2251 -36.2251 -10.3910 -10.3910 -9.7435 -9.7435 0.1125 0.1125 1.9092 1.9092 2.1632 2.1632 2.8606 2.8606 3.3515 3.3515 3.5564 3.5564 5.6337 5.6337 5.8437 5.8437 5.9871 5.9871 6.6181 6.6181 7.3349 7.3349 8.9494 8.9494 k = 0.0816-0.0586-0.0031 ( 6581 PWs) bands (ev): -65.1624 -65.1624 -37.2513 -37.2513 -36.3176 -36.3176 -36.2252 -36.2252 -10.3829 -10.3829 -9.7412 -9.7412 0.1271 0.1271 1.8942 1.8942 2.1554 2.1554 2.8178 2.8178 3.3095 3.3095 3.5439 3.5439 5.6540 5.6540 5.8443 5.8443 5.9981 5.9981 6.6122 6.6122 7.3206 7.3206 9.0161 9.0161 k = 0.0918-0.0660-0.0035 ( 6578 PWs) bands (ev): -65.1622 -65.1622 -37.2514 -37.2514 -36.3177 -36.3177 -36.2252 -36.2252 -10.3738 -10.3738 -9.7386 -9.7386 0.1435 0.1435 1.8767 1.8767 2.1478 2.1478 2.7674 2.7674 3.2669 3.2669 3.5299 3.5299 5.6751 5.6751 5.8442 5.8442 6.0101 6.0101 6.6059 6.6059 7.3075 7.3075 9.0895 9.0895 k = 0.1020-0.0733-0.0039 ( 6577 PWs) bands (ev): -65.1621 -65.1621 -37.2514 -37.2514 -36.3177 -36.3177 -36.2253 -36.2253 -10.3638 -10.3638 -9.7357 -9.7357 0.1617 0.1617 1.8568 1.8568 2.1404 2.1404 2.7096 2.7096 3.2248 3.2248 3.5144 3.5144 5.6973 5.6973 5.8432 5.8432 6.0225 6.0225 6.5991 6.5991 7.2949 7.2949 9.1689 9.1689 k = 0.1122-0.0806-0.0043 ( 6577 PWs) bands (ev): -65.1621 -65.1621 -37.2515 -37.2515 -36.3178 -36.3178 -36.2254 -36.2254 -10.3528 -10.3528 -9.7326 -9.7326 0.1817 0.1817 1.8345 1.8345 2.1332 2.1332 2.6450 2.6450 3.1837 3.1837 3.4973 3.4973 5.7187 5.7187 5.8435 5.8435 6.0357 6.0357 6.5926 6.5926 7.2819 7.2819 9.2538 9.2538 k = 0.1224-0.0880-0.0047 ( 6579 PWs) bands (ev): -65.1622 -65.1622 -37.2516 -37.2516 -36.3180 -36.3180 -36.2255 -36.2255 -10.3408 -10.3408 -9.7293 -9.7293 0.2034 0.2034 1.8099 1.8099 2.1262 2.1262 2.5746 2.5746 3.1437 3.1437 3.4784 3.4784 5.7383 5.7383 5.8443 5.8443 6.0489 6.0489 6.5865 6.5865 7.2706 7.2706 9.3433 9.3433 k = 0.1327-0.0953-0.0051 ( 6577 PWs) bands (ev): -65.1621 -65.1621 -37.2517 -37.2517 -36.3181 -36.3181 -36.2256 -36.2256 -10.3280 -10.3280 -9.7258 -9.7258 0.2267 0.2267 1.7832 1.7832 2.1191 2.1191 2.4996 2.4996 3.1049 3.1049 3.4579 3.4579 5.7551 5.7551 5.8493 5.8493 6.0617 6.0617 6.5816 6.5816 7.2608 7.2608 9.4370 9.4370 k = 0.1429-0.1026-0.0054 ( 6575 PWs) bands (ev): -65.1619 -65.1619 -37.2518 -37.2518 -36.3182 -36.3182 -36.2256 -36.2256 -10.3143 -10.3143 -9.7220 -9.7220 0.2516 0.2516 1.7547 1.7547 2.1109 2.1109 2.4220 2.4220 3.0670 3.0670 3.4355 3.4355 5.7674 5.7674 5.8574 5.8574 6.0747 6.0747 6.5779 6.5779 7.2528 7.2528 9.5336 9.5336 k = 0.1531-0.1099-0.0058 ( 6574 PWs) bands (ev): -65.1618 -65.1618 -37.2519 -37.2519 -36.3183 -36.3183 -36.2257 -36.2257 -10.2999 -10.2999 -9.7181 -9.7181 0.2780 0.2780 1.7246 1.7246 2.1000 2.1000 2.3443 2.3443 3.0298 3.0298 3.4113 3.4113 5.7742 5.7742 5.8716 5.8716 6.0857 6.0857 6.5749 6.5749 7.2469 7.2469 9.6323 9.6323 k = 0.1633-0.1173-0.0062 ( 6570 PWs) bands (ev): -65.1615 -65.1615 -37.2520 -37.2520 -36.3184 -36.3184 -36.2258 -36.2258 -10.2846 -10.2846 -9.7140 -9.7140 0.3059 0.3059 1.6928 1.6928 2.0824 2.0824 2.2717 2.2717 2.9932 2.9932 3.3853 3.3853 5.7752 5.7752 5.8909 5.8909 6.0967 6.0967 6.5739 6.5739 7.2435 7.2435 9.7323 9.7323 k = 0.1735-0.1246-0.0066 ( 6572 PWs) bands (ev): -65.1616 -65.1616 -37.2521 -37.2521 -36.3186 -36.3186 -36.2260 -36.2260 -10.2686 -10.2686 -9.7097 -9.7097 0.3350 0.3350 1.6594 1.6594 2.0499 2.0499 2.2133 2.2133 2.9569 2.9569 3.3575 3.3575 5.7727 5.7727 5.9117 5.9117 6.1063 6.1063 6.5738 6.5738 7.2412 7.2412 9.8326 9.8326 k = 0.1837-0.1319-0.0070 ( 6568 PWs) bands (ev): -65.1613 -65.1613 -37.2522 -37.2522 -36.3187 -36.3187 -36.2260 -36.2260 -10.2520 -10.2520 -9.7054 -9.7054 0.3653 0.3653 1.6244 1.6244 1.9954 1.9954 2.1772 2.1772 2.9210 2.9210 3.3281 3.3281 5.7694 5.7694 5.9344 5.9344 6.1154 6.1154 6.5757 6.5757 7.2411 7.2411 9.9324 9.9324 k = 0.1939-0.1393-0.0074 ( 6567 PWs) bands (ev): -65.1612 -65.1612 -37.2523 -37.2523 -36.3188 -36.3188 -36.2261 -36.2261 -10.2348 -10.2348 -9.7009 -9.7009 0.3967 0.3967 1.5873 1.5873 1.9249 1.9249 2.1587 2.1587 2.8853 2.8853 3.2970 3.2970 5.7645 5.7645 5.9564 5.9564 6.1234 6.1234 6.5790 6.5790 7.2432 7.2432 10.0304 10.0304 k = 0.2041-0.1466-0.0078 ( 6566 PWs) bands (ev): -65.1611 -65.1611 -37.2524 -37.2524 -36.3190 -36.3190 -36.2262 -36.2262 -10.2169 -10.2169 -9.6964 -9.6964 0.4289 0.4289 1.5476 1.5476 1.8484 1.8484 2.1491 2.1491 2.8498 2.8498 3.2644 3.2644 5.7589 5.7589 5.9789 5.9789 6.1302 6.1302 6.5838 6.5838 7.2468 7.2468 10.1256 10.1256 k = 0.2143-0.1539-0.0082 ( 6564 PWs) bands (ev): -65.1610 -65.1610 -37.2525 -37.2525 -36.3191 -36.3191 -36.2263 -36.2263 -10.1986 -10.1986 -9.6918 -9.6918 0.4619 0.4619 1.5044 1.5044 1.7723 1.7723 2.1438 2.1438 2.8145 2.8145 3.2304 3.2304 5.7520 5.7520 6.0006 6.0006 6.1360 6.1360 6.5909 6.5909 7.2530 7.2530 10.2170 10.2170 k = 0.2245-0.1613-0.0086 ( 6559 PWs) bands (ev): -65.1606 -65.1606 -37.2526 -37.2526 -36.3193 -36.3193 -36.2264 -36.2264 -10.1799 -10.1799 -9.6872 -9.6872 0.4952 0.4952 1.4561 1.4561 1.7009 1.7009 2.1408 2.1408 2.7795 2.7795 3.1953 3.1953 5.7454 5.7454 6.0214 6.0214 6.1415 6.1415 6.6001 6.6001 7.2603 7.2603 10.3034 10.3034 k = 0.2347-0.1686-0.0089 ( 6564 PWs) bands (ev): -65.1609 -65.1609 -37.2527 -37.2527 -36.3194 -36.3194 -36.2266 -36.2266 -10.1607 -10.1607 -9.6826 -9.6826 0.5285 0.5285 1.4014 1.4014 1.6369 1.6369 2.1390 2.1390 2.7446 2.7446 3.1590 3.1590 5.7365 5.7365 6.0404 6.0404 6.1457 6.1457 6.6095 6.6095 7.2689 7.2689 10.3831 10.3831 k = 0.2449-0.1759-0.0093 ( 6559 PWs) bands (ev): -65.1605 -65.1605 -37.2528 -37.2528 -36.3196 -36.3196 -36.2266 -36.2266 -10.1413 -10.1413 -9.6780 -9.6780 0.5614 0.5614 1.3405 1.3405 1.5818 1.5818 2.1382 2.1382 2.7101 2.7101 3.1219 3.1219 5.7297 5.7297 6.0581 6.0581 6.1512 6.1512 6.6211 6.6211 7.2787 7.2787 10.4553 10.4553 k = 0.2551-0.1832-0.0097 ( 6559 PWs) bands (ev): -65.1605 -65.1605 -37.2530 -37.2530 -36.3198 -36.3198 -36.2267 -36.2267 -10.1215 -10.1215 -9.6735 -9.6735 0.5932 0.5932 1.2749 1.2749 1.5352 1.5352 2.1381 2.1381 2.6759 2.6759 3.0841 3.0841 5.7215 5.7215 6.0726 6.0726 6.1562 6.1562 6.6337 6.6337 7.2902 7.2902 10.5186 10.5186 k = 0.2653-0.1906-0.0101 ( 6558 PWs) bands (ev): -65.1604 -65.1604 -37.2531 -37.2531 -36.3199 -36.3199 -36.2269 -36.2269 -10.1017 -10.1017 -9.6691 -9.6691 0.6227 0.6227 1.2074 1.2074 1.4958 1.4958 2.1384 2.1384 2.6422 2.6422 3.0459 3.0459 5.7123 5.7123 6.0854 6.0854 6.1627 6.1627 6.6471 6.6471 7.3027 7.3027 10.5719 10.5719 k = 0.2755-0.1979-0.0105 ( 6564 PWs) bands (ev): -65.1607 -65.1607 -37.2533 -37.2533 -36.3201 -36.3201 -36.2271 -36.2271 -10.0817 -10.0817 -9.6648 -9.6648 0.6482 0.6482 1.1417 1.1417 1.4618 1.4618 2.1391 2.1391 2.6088 2.6088 3.0073 3.0073 5.7028 5.7028 6.0943 6.0943 6.1696 6.1696 6.6601 6.6601 7.3153 7.3153 10.6141 10.6141 k = 0.2857-0.2052-0.0109 ( 6563 PWs) bands (ev): -65.1606 -65.1606 -37.2534 -37.2534 -36.3203 -36.3203 -36.2272 -36.2272 -10.0616 -10.0616 -9.6606 -9.6606 0.6670 0.6670 1.0818 1.0818 1.4325 1.4325 2.1403 2.1403 2.5760 2.5760 2.9686 2.9686 5.6928 5.6928 6.1016 6.1016 6.1788 6.1788 6.6751 6.6751 7.3289 7.3289 10.6450 10.6450 k = 0.2959-0.2126-0.0113 ( 6565 PWs) bands (ev): -65.1607 -65.1607 -37.2535 -37.2535 -36.3205 -36.3205 -36.2273 -36.2273 -10.0416 -10.0416 -9.6566 -9.6566 0.6748 0.6748 1.0327 1.0327 1.4072 1.4072 2.1417 2.1417 2.5437 2.5437 2.9299 2.9299 5.6832 5.6832 6.1062 6.1062 6.1886 6.1886 6.6897 6.6897 7.3421 7.3421 10.6638 10.6638 k = 0.3061-0.2199-0.0117 ( 6567 PWs) bands (ev): -65.1608 -65.1608 -37.2537 -37.2537 -36.3207 -36.3207 -36.2274 -36.2274 -10.0217 -10.0217 -9.6529 -9.6529 0.6667 0.6667 0.9995 0.9995 1.3858 1.3858 2.1435 2.1435 2.5121 2.5121 2.8914 2.8914 5.6730 5.6730 6.1093 6.1093 6.1983 6.1983 6.7050 6.7050 7.3558 7.3558 10.6709 10.6709 k = 0.3163-0.2272-0.0121 ( 6566 PWs) bands (ev): -65.1607 -65.1607 -37.2538 -37.2538 -36.3208 -36.3208 -36.2275 -36.2275 -10.0020 -10.0020 -9.6493 -9.6493 0.6409 0.6409 0.9844 0.9844 1.3684 1.3684 2.1454 2.1454 2.4812 2.4812 2.8533 2.8533 5.6641 5.6641 6.1110 6.1110 6.2078 6.2078 6.7207 6.7207 7.3695 7.3695 10.6670 10.6670 k = 0.3265-0.2346-0.0124 ( 6566 PWs) bands (ev): -65.1606 -65.1606 -37.2539 -37.2539 -36.3210 -36.3210 -36.2276 -36.2276 -9.9826 -9.9826 -9.6460 -9.6460 0.6005 0.6005 0.9836 0.9836 1.3555 1.3555 2.1474 2.1474 2.4511 2.4511 2.8158 2.8158 5.6544 5.6544 6.1117 6.1117 6.2170 6.2170 6.7362 6.7362 7.3836 7.3836 10.6532 10.6532 k = 0.3367-0.2419-0.0128 ( 6562 PWs) bands (ev): -65.1604 -65.1604 -37.2540 -37.2540 -36.3211 -36.3211 -36.2278 -36.2278 -9.9635 -9.9635 -9.6429 -9.6429 0.5513 0.5513 0.9910 0.9910 1.3476 1.3476 2.1495 2.1495 2.4221 2.4221 2.7790 2.7790 5.6440 5.6440 6.1125 6.1125 6.2264 6.2264 6.7518 6.7518 7.3990 7.3990 10.6317 10.6317 k = 0.3469-0.2492-0.0132 ( 6565 PWs) bands (ev): -65.1605 -65.1605 -37.2541 -37.2541 -36.3212 -36.3212 -36.2279 -36.2279 -9.9448 -9.9448 -9.6402 -9.6402 0.4981 0.4981 1.0012 1.0012 1.3451 1.3451 2.1516 2.1516 2.3941 2.3941 2.7429 2.7429 5.6335 5.6335 6.1126 6.1126 6.2331 6.2331 6.7671 6.7671 7.4122 7.4122 10.6049 10.6049 k = 0.3571-0.2565-0.0136 ( 6564 PWs) bands (ev): -65.1604 -65.1604 -37.2542 -37.2542 -36.3214 -36.3214 -36.2280 -36.2280 -9.9266 -9.9266 -9.6378 -9.6378 0.4441 0.4441 1.0108 1.0108 1.3486 1.3486 2.1533 2.1533 2.3676 2.3676 2.7078 2.7078 5.6236 5.6236 6.1124 6.1124 6.2402 6.2402 6.7818 6.7818 7.4255 7.4255 10.5751 10.5751 k = 0.3673-0.2639-0.0140 ( 6562 PWs) bands (ev): -65.1603 -65.1603 -37.2543 -37.2543 -36.3215 -36.3215 -36.2280 -36.2280 -9.9090 -9.9090 -9.6357 -9.6357 0.3909 0.3909 1.0181 1.0181 1.3579 1.3579 2.1545 2.1545 2.3429 2.3429 2.6736 2.6736 5.6148 5.6148 6.1130 6.1130 6.2452 6.2452 6.7957 6.7957 7.4385 7.4385 10.5442 10.5442 k = 0.3776-0.2712-0.0144 ( 6562 PWs) bands (ev): -65.1603 -65.1603 -37.2544 -37.2544 -36.3216 -36.3216 -36.2281 -36.2281 -9.8921 -9.8921 -9.6340 -9.6340 0.3397 0.3397 1.0223 1.0223 1.3725 1.3725 2.1545 2.1545 2.3205 2.3205 2.6406 2.6406 5.6061 5.6061 6.1132 6.1132 6.2491 6.2491 6.8090 6.8090 7.4504 7.4504 10.5137 10.5137 k = 0.3878-0.2785-0.0148 ( 6562 PWs) bands (ev): -65.1603 -65.1603 -37.2545 -37.2545 -36.3218 -36.3218 -36.2282 -36.2282 -9.8759 -9.8759 -9.6326 -9.6326 0.2913 0.2913 1.0237 1.0237 1.3916 1.3916 2.1527 2.1527 2.3012 2.3012 2.6088 2.6088 5.5970 5.5970 6.1140 6.1140 6.2524 6.2524 6.8217 6.8217 7.4611 7.4611 10.4846 10.4846 k = 0.3980-0.2859-0.0152 ( 6564 PWs) bands (ev): -65.1604 -65.1604 -37.2546 -37.2546 -36.3219 -36.3219 -36.2283 -36.2283 -9.8606 -9.8606 -9.6316 -9.6316 0.2461 0.2461 1.0228 1.0228 1.4139 1.4139 2.1483 2.1483 2.2861 2.2861 2.5782 2.5782 5.5884 5.5884 6.1140 6.1140 6.2548 6.2548 6.8329 6.8329 7.4718 7.4718 10.4576 10.4576 k = 0.4082-0.2932-0.0156 ( 6563 PWs) bands (ev): -65.1603 -65.1603 -37.2546 -37.2546 -36.3220 -36.3220 -36.2283 -36.2283 -9.8462 -9.8462 -9.6310 -9.6310 0.2044 0.2044 1.0203 1.0203 1.4383 1.4383 2.1406 2.1406 2.2758 2.2758 2.5489 2.5489 5.5808 5.5808 6.1143 6.1143 6.2571 6.2571 6.8438 6.8438 7.4809 7.4809 10.4333 10.4333 k = 0.4184-0.3005-0.0159 ( 6561 PWs) bands (ev): -65.1602 -65.1602 -37.2547 -37.2547 -36.3221 -36.3221 -36.2284 -36.2284 -9.8329 -9.8329 -9.6307 -9.6307 0.1667 0.1667 1.0168 1.0168 1.4637 1.4637 2.1297 2.1297 2.2706 2.2706 2.5210 2.5210 5.5739 5.5739 6.1149 6.1149 6.2587 6.2587 6.8539 6.8539 7.4896 7.4896 10.4119 10.4119 k = 0.4286-0.3079-0.0163 ( 6571 PWs) bands (ev): -65.1608 -65.1608 -37.2548 -37.2548 -36.3222 -36.3222 -36.2286 -36.2286 -9.8207 -9.8207 -9.6307 -9.6307 0.1328 0.1328 1.0128 1.0128 1.4891 1.4891 2.1161 2.1161 2.2699 2.2699 2.4945 2.4945 5.5662 5.5662 6.1132 6.1132 6.2588 6.2588 6.8617 6.8617 7.4966 7.4966 10.3934 10.3934 k = 0.4388-0.3152-0.0167 ( 6569 PWs) bands (ev): -65.1606 -65.1606 -37.2549 -37.2549 -36.3223 -36.3223 -36.2286 -36.2286 -9.8097 -9.8097 -9.6309 -9.6309 0.1033 0.1033 1.0088 1.0088 1.5136 1.5136 2.1014 2.1014 2.2730 2.2730 2.4695 2.4695 5.5600 5.5600 6.1143 6.1143 6.2584 6.2584 6.8703 6.8703 7.5040 7.5040 10.3782 10.3782 k = 0.4490-0.3225-0.0171 ( 6566 PWs) bands (ev): -65.1605 -65.1605 -37.2549 -37.2549 -36.3223 -36.3223 -36.2286 -36.2286 -9.8001 -9.8001 -9.6313 -9.6313 0.0781 0.0781 1.0050 1.0050 1.5365 1.5365 2.0865 2.0865 2.2788 2.2788 2.4461 2.4461 5.5550 5.5550 6.1159 6.1159 6.2581 6.2581 6.8775 6.8775 7.5099 7.5099 10.3664 10.3664 k = 0.4592-0.3298-0.0175 ( 6570 PWs) bands (ev): -65.1607 -65.1607 -37.2550 -37.2550 -36.3224 -36.3224 -36.2286 -36.2286 -9.7920 -9.7920 -9.6318 -9.6318 0.0573 0.0573 1.0016 1.0016 1.5568 1.5568 2.0724 2.0724 2.2866 2.2866 2.4243 2.4243 5.5505 5.5505 6.1154 6.1154 6.2573 6.2573 6.8830 6.8830 7.5142 7.5142 10.3577 10.3577 k = 0.4694-0.3372-0.0179 ( 6570 PWs) bands (ev): -65.1607 -65.1607 -37.2550 -37.2550 -36.3224 -36.3224 -36.2287 -36.2287 -9.7855 -9.7855 -9.6323 -9.6323 0.0411 0.0411 0.9989 0.9989 1.5737 1.5737 2.0603 2.0603 2.2960 2.2960 2.4044 2.4044 5.5473 5.5473 6.1160 6.1160 6.2563 6.2563 6.8873 6.8873 7.5182 7.5182 10.3518 10.3518 k = 0.4796-0.3445-0.0183 ( 6573 PWs) bands (ev): -65.1609 -65.1609 -37.2550 -37.2550 -36.3225 -36.3225 -36.2287 -36.2287 -9.7807 -9.7807 -9.6328 -9.6328 0.0295 0.0295 0.9969 0.9969 1.5866 1.5866 2.0509 2.0509 2.3060 2.3060 2.3870 2.3870 5.5449 5.5449 6.1158 6.1158 6.2555 6.2555 6.8904 6.8904 7.5202 7.5202 10.3487 10.3487 k = 0.4898-0.3518-0.0187 ( 6570 PWs) bands (ev): -65.1607 -65.1607 -37.2550 -37.2550 -36.3225 -36.3225 -36.2287 -36.2287 -9.7778 -9.7778 -9.6331 -9.6331 0.0225 0.0225 0.9956 0.9956 1.5946 1.5946 2.0449 2.0449 2.3151 2.3151 2.3735 2.3735 5.5438 5.5438 6.1165 6.1165 6.2555 6.2555 6.8927 6.8927 7.5220 7.5220 10.3475 10.3475 k = 0.5000-0.3592-0.0191 ( 6568 PWs) bands (ev): -65.1606 -65.1606 -37.2550 -37.2550 -36.3225 -36.3225 -36.2287 -36.2287 -9.7769 -9.7769 -9.6333 -9.6333 0.0201 0.0201 0.9952 0.9952 1.5973 1.5973 2.0429 2.0429 2.3193 2.3193 2.3678 2.3678 5.5434 5.5434 6.1166 6.1166 6.2560 6.2560 6.8934 6.8934 7.5229 7.5229 10.3472 10.3472 k = 0.5000-0.3592 0.3032 ( 6578 PWs) bands (ev): -65.1610 -65.1610 -37.2551 -37.2551 -36.3226 -36.3226 -36.2288 -36.2288 -9.7300 -9.7300 -9.6793 -9.6793 0.0277 0.0277 0.5962 0.5962 1.9340 1.9340 2.0067 2.0067 2.1943 2.1943 2.7549 2.7549 5.5576 5.5576 6.1136 6.1136 6.2503 6.2503 6.7953 6.7953 7.5759 7.5759 10.1110 10.1110 k = 0.4907-0.3525 0.2976 ( 6577 PWs) bands (ev): -65.1609 -65.1609 -37.2551 -37.2551 -36.3226 -36.3226 -36.2287 -36.2287 -9.7307 -9.7307 -9.6793 -9.6793 0.0296 0.0296 0.5967 0.5967 1.9348 1.9348 2.0060 2.0060 2.1954 2.1954 2.7538 2.7538 5.5573 5.5573 6.1142 6.1142 6.2502 6.2502 6.7955 6.7955 7.5756 7.5756 10.1063 10.1063 k = 0.4815-0.3459 0.2920 ( 6575 PWs) bands (ev): -65.1608 -65.1608 -37.2551 -37.2551 -36.3225 -36.3225 -36.2287 -36.2287 -9.7326 -9.7326 -9.6795 -9.6795 0.0353 0.0353 0.5981 0.5981 1.9372 1.9372 2.0037 2.0037 2.1983 2.1983 2.7505 2.7505 5.5584 5.5584 6.1146 6.1146 6.2504 6.2504 6.7949 6.7949 7.5743 7.5743 10.0956 10.0956 k = 0.4722-0.3392 0.2863 ( 6570 PWs) bands (ev): -65.1605 -65.1605 -37.2550 -37.2550 -36.3225 -36.3225 -36.2286 -36.2286 -9.7359 -9.7359 -9.6799 -9.6799 0.0449 0.0449 0.6006 0.6006 1.9409 1.9409 2.0000 2.0000 2.2032 2.2032 2.7450 2.7450 5.5612 5.5612 6.1156 6.1156 6.2515 6.2515 6.7941 6.7941 7.5708 7.5708 10.0841 10.0841 k = 0.4630-0.3326 0.2807 ( 6569 PWs) bands (ev): -65.1605 -65.1605 -37.2550 -37.2550 -36.3224 -36.3224 -36.2286 -36.2286 -9.7404 -9.7404 -9.6804 -9.6804 0.0582 0.0582 0.6039 0.6039 1.9455 1.9455 1.9954 1.9954 2.2100 2.2100 2.7376 2.7376 5.5639 5.5639 6.1165 6.1165 6.2518 6.2518 6.7919 6.7919 7.5665 7.5665 10.0744 10.0744 k = 0.4537-0.3259 0.2751 ( 6567 PWs) bands (ev): -65.1604 -65.1604 -37.2549 -37.2549 -36.3224 -36.3224 -36.2286 -36.2286 -9.7463 -9.7463 -9.6811 -9.6811 0.0752 0.0752 0.6082 0.6082 1.9502 1.9502 1.9907 1.9907 2.2188 2.2188 2.7283 2.7283 5.5681 5.5681 6.1172 6.1172 6.2511 6.2511 6.7897 6.7897 7.5614 7.5614 10.0681 10.0681 k = 0.4444-0.3193 0.2695 ( 6564 PWs) bands (ev): -65.1602 -65.1602 -37.2548 -37.2548 -36.3223 -36.3223 -36.2285 -36.2285 -9.7533 -9.7533 -9.6819 -9.6819 0.0960 0.0960 0.6133 0.6133 1.9524 1.9524 1.9885 1.9885 2.2295 2.2295 2.7174 2.7174 5.5719 5.5719 6.1187 6.1187 6.2507 6.2507 6.7872 6.7872 7.5557 7.5557 10.0657 10.0657 k = 0.4352-0.3126 0.2639 ( 6572 PWs) bands (ev): -65.1607 -65.1607 -37.2549 -37.2549 -36.3223 -36.3223 -36.2286 -36.2286 -9.7616 -9.7616 -9.6828 -9.6828 0.1203 0.1203 0.6192 0.6192 1.9487 1.9487 1.9920 1.9920 2.2420 2.2420 2.7051 2.7051 5.5753 5.5753 6.1170 6.1170 6.2497 6.2497 6.7839 6.7839 7.5477 7.5477 10.0675 10.0675 k = 0.4259-0.3060 0.2583 ( 6576 PWs) bands (ev): -65.1610 -65.1610 -37.2548 -37.2548 -36.3222 -36.3222 -36.2286 -36.2286 -9.7710 -9.7710 -9.6839 -9.6839 0.1482 0.1482 0.6258 0.6258 1.9395 1.9395 2.0009 2.0009 2.2563 2.2563 2.6917 2.6917 5.5797 5.5797 6.1170 6.1170 6.2489 6.2489 6.7801 6.7801 7.5385 7.5385 10.0739 10.0739 k = 0.4167-0.2993 0.2527 ( 6572 PWs) bands (ev): -65.1607 -65.1607 -37.2548 -37.2548 -36.3221 -36.3221 -36.2285 -36.2285 -9.7815 -9.7815 -9.6851 -9.6851 0.1798 0.1798 0.6330 0.6330 1.9268 1.9268 2.0133 2.0133 2.2726 2.2726 2.6776 2.6776 5.5847 5.5847 6.1185 6.1185 6.2481 6.2481 6.7767 6.7767 7.5299 7.5299 10.0850 10.0850 k = 0.4074-0.2926 0.2470 ( 6573 PWs) bands (ev): -65.1608 -65.1608 -37.2547 -37.2547 -36.3221 -36.3221 -36.2284 -36.2284 -9.7931 -9.7931 -9.6864 -9.6864 0.2147 0.2147 0.6407 0.6407 1.9118 1.9118 2.0278 2.0278 2.2905 2.2905 2.6630 2.6630 5.5895 5.5895 6.1195 6.1195 6.2462 6.2462 6.7727 6.7727 7.5199 7.5199 10.1007 10.1007 k = 0.3981-0.2860 0.2414 ( 6577 PWs) bands (ev): -65.1611 -65.1611 -37.2547 -37.2547 -36.3220 -36.3220 -36.2284 -36.2284 -9.8058 -9.8058 -9.6878 -9.6878 0.2531 0.2531 0.6488 0.6488 1.8951 1.8951 2.0439 2.0439 2.3099 2.3099 2.6485 2.6485 5.5946 5.5946 6.1195 6.1195 6.2436 6.2436 6.7680 6.7680 7.5087 7.5087 10.1209 10.1209 k = 0.3889-0.2793 0.2358 ( 6577 PWs) bands (ev): -65.1611 -65.1611 -37.2546 -37.2546 -36.3219 -36.3219 -36.2284 -36.2284 -9.8194 -9.8194 -9.6893 -9.6893 0.2946 0.2946 0.6570 0.6570 1.8771 1.8771 2.0613 2.0613 2.3308 2.3308 2.6343 2.6343 5.6008 5.6008 6.1203 6.1203 6.2408 6.2408 6.7629 6.7629 7.4974 7.4974 10.1455 10.1455 k = 0.3796-0.2727 0.2302 ( 6575 PWs) bands (ev): -65.1610 -65.1610 -37.2545 -37.2545 -36.3218 -36.3218 -36.2283 -36.2283 -9.8339 -9.8339 -9.6910 -9.6910 0.3394 0.3394 0.6653 0.6653 1.8580 1.8580 2.0797 2.0797 2.3528 2.3528 2.6212 2.6212 5.6076 5.6076 6.1221 6.1221 6.2377 6.2377 6.7575 6.7575 7.4847 7.4847 10.1743 10.1743 k = 0.3704-0.2660 0.2246 ( 6578 PWs) bands (ev): -65.1612 -65.1612 -37.2544 -37.2544 -36.3217 -36.3217 -36.2282 -36.2282 -9.8492 -9.8492 -9.6927 -9.6927 0.3871 0.3871 0.6735 0.6735 1.8383 1.8383 2.0989 2.0989 2.3756 2.3756 2.6098 2.6098 5.6143 5.6143 6.1220 6.1220 6.2334 6.2334 6.7514 6.7514 7.4719 7.4719 10.2071 10.2071 k = 0.3611-0.2594 0.2190 ( 6573 PWs) bands (ev): -65.1610 -65.1610 -37.2543 -37.2543 -36.3215 -36.3215 -36.2281 -36.2281 -9.8653 -9.8653 -9.6945 -9.6945 0.4377 0.4377 0.6814 0.6814 1.8182 1.8182 2.1188 2.1188 2.3984 2.3984 2.6009 2.6009 5.6215 5.6215 6.1228 6.1228 6.2298 6.2298 6.7461 6.7461 7.4592 7.4592 10.2434 10.2434 k = 0.3519-0.2527 0.2134 ( 6576 PWs) bands (ev): -65.1612 -65.1612 -37.2542 -37.2542 -36.3214 -36.3214 -36.2280 -36.2280 -9.8821 -9.8821 -9.6964 -9.6964 0.4908 0.4908 0.6888 0.6888 1.7982 1.7982 2.1387 2.1387 2.4202 2.4202 2.5960 2.5960 5.6284 5.6284 6.1237 6.1237 6.2236 6.2236 6.7395 6.7395 7.4448 7.4448 10.2828 10.2828 k = 0.3426-0.2461 0.2077 ( 6574 PWs) bands (ev): -65.1611 -65.1611 -37.2541 -37.2541 -36.3213 -36.3213 -36.2279 -36.2279 -9.8996 -9.8996 -9.6983 -9.6983 0.5459 0.5459 0.6959 0.6959 1.7788 1.7788 2.1586 2.1586 2.4397 2.4397 2.5968 2.5968 5.6359 5.6359 6.1245 6.1245 6.2178 6.2178 6.7334 6.7334 7.4305 7.4305 10.3245 10.3245 k = 0.3333-0.2394 0.2021 ( 6570 PWs) bands (ev): -65.1609 -65.1609 -37.2540 -37.2540 -36.3211 -36.3211 -36.2278 -36.2278 -9.9176 -9.9176 -9.7003 -9.7003 0.6017 0.6017 0.7034 0.7034 1.7605 1.7605 2.1780 2.1780 2.4557 2.4557 2.6048 2.6048 5.6434 5.6434 6.1235 6.1235 6.2129 6.2129 6.7273 6.7273 7.4169 7.4169 10.3677 10.3677 k = 0.3241-0.2328 0.1965 ( 6564 PWs) bands (ev): -65.1605 -65.1605 -37.2538 -37.2538 -36.3209 -36.3209 -36.2276 -36.2276 -9.9361 -9.9361 -9.7023 -9.7023 0.6528 0.6528 0.7164 0.7164 1.7438 1.7438 2.1961 2.1961 2.4678 2.4678 2.6208 2.6208 5.6514 5.6514 6.1234 6.1234 6.2076 6.2076 6.7208 6.7208 7.4026 7.4026 10.4113 10.4113 k = 0.3148-0.2261 0.1909 ( 6561 PWs) bands (ev): -65.1604 -65.1604 -37.2537 -37.2537 -36.3207 -36.3207 -36.2275 -36.2275 -9.9551 -9.9551 -9.7044 -9.7044 0.6810 0.6810 0.7523 0.7523 1.7293 1.7293 2.2126 2.2126 2.4774 2.4774 2.6440 2.6440 5.6589 5.6589 6.1220 6.1220 6.2013 6.2013 6.7143 6.7143 7.3882 7.3882 10.4540 10.4540 k = 0.3056-0.2195 0.1853 ( 6555 PWs) bands (ev): -65.1601 -65.1601 -37.2536 -37.2536 -36.3205 -36.3205 -36.2274 -36.2274 -9.9744 -9.9744 -9.7065 -9.7065 0.6872 0.6872 0.8098 0.8098 1.7176 1.7176 2.2266 2.2266 2.4868 2.4868 2.6727 2.6727 5.6669 5.6669 6.1202 6.1202 6.1945 6.1945 6.7077 6.7077 7.3748 7.3748 10.4939 10.4939 k = 0.2963-0.2128 0.1797 ( 6562 PWs) bands (ev): -65.1605 -65.1605 -37.2535 -37.2535 -36.3205 -36.3205 -36.2273 -36.2273 -9.9940 -9.9940 -9.7086 -9.7086 0.6853 0.6853 0.8742 0.8742 1.7092 1.7092 2.2376 2.2376 2.4978 2.4978 2.7052 2.7052 5.6740 5.6740 6.1155 6.1155 6.1860 6.1860 6.7004 6.7004 7.3594 7.3594 10.5289 10.5289 k = 0.2870-0.2062 0.1741 ( 6557 PWs) bands (ev): -65.1603 -65.1603 -37.2533 -37.2533 -36.3203 -36.3203 -36.2271 -36.2271 -10.0138 -10.0138 -9.7108 -9.7108 0.6792 0.6792 0.9414 0.9414 1.7047 1.7047 2.2456 2.2456 2.5119 2.5119 2.7404 2.7404 5.6816 5.6816 6.1102 6.1102 6.1800 6.1800 6.6944 6.6944 7.3461 7.3461 10.5566 10.5566 k = 0.2778-0.1995 0.1684 ( 6556 PWs) bands (ev): -65.1603 -65.1603 -37.2532 -37.2532 -36.3201 -36.3201 -36.2270 -36.2270 -10.0337 -10.0337 -9.7129 -9.7129 0.6695 0.6695 1.0099 1.0099 1.7046 1.7046 2.2503 2.2503 2.5295 2.5295 2.7776 2.7776 5.6894 5.6894 6.1027 6.1027 6.1740 6.1740 6.6878 6.6878 7.3324 7.3324 10.5744 10.5744 k = 0.2685-0.1929 0.1628 ( 6554 PWs) bands (ev): -65.1602 -65.1602 -37.2531 -37.2531 -36.3199 -36.3199 -36.2269 -36.2269 -10.0538 -10.0538 -9.7151 -9.7151 0.6564 0.6564 1.0791 1.0791 1.7095 1.7095 2.2522 2.2522 2.5506 2.5506 2.8161 2.8161 5.6964 5.6964 6.0946 6.0946 6.1690 6.1690 6.6812 6.6812 7.3193 7.3193 10.5799 10.5799 k = 0.2593-0.1862 0.1572 ( 6552 PWs) bands (ev): -65.1601 -65.1601 -37.2530 -37.2530 -36.3197 -36.3197 -36.2268 -36.2268 -10.0738 -10.0738 -9.7172 -9.7172 0.6403 0.6403 1.1482 1.1482 1.7197 1.7197 2.2520 2.2520 2.5749 2.5749 2.8555 2.8555 5.7038 5.7038 6.0835 6.0835 6.1640 6.1640 6.6755 6.6755 7.3070 7.3070 10.5717 10.5717 k = 0.2500-0.1796 0.1516 ( 6550 PWs) bands (ev): -65.1601 -65.1601 -37.2528 -37.2528 -36.3195 -36.3195 -36.2267 -36.2267 -10.0937 -10.0937 -9.7193 -9.7193 0.6212 0.6212 1.2164 1.2164 1.7358 1.7358 2.2501 2.2501 2.6020 2.6020 2.8956 2.8956 5.7108 5.7108 6.0717 6.0717 6.1588 6.1588 6.6698 6.6698 7.2958 7.2958 10.5490 10.5490 k = 0.2407-0.1729 0.1460 ( 6547 PWs) bands (ev): -65.1599 -65.1599 -37.2527 -37.2527 -36.3193 -36.3193 -36.2265 -36.2265 -10.1135 -10.1135 -9.7214 -9.7214 0.5996 0.5996 1.2828 1.2828 1.7581 1.7581 2.2474 2.2474 2.6313 2.6313 2.9361 2.9361 5.7190 5.7190 6.0575 6.0575 6.1527 6.1527 6.6650 6.6650 7.2859 7.2859 10.5123 10.5123 k = 0.2315-0.1663 0.1404 ( 6546 PWs) bands (ev): -65.1599 -65.1599 -37.2526 -37.2526 -36.3192 -36.3192 -36.2264 -36.2264 -10.1331 -10.1331 -9.7234 -9.7234 0.5757 0.5757 1.3463 1.3463 1.7871 1.7871 2.2442 2.2442 2.6626 2.6626 2.9766 2.9766 5.7257 5.7257 6.0422 6.0422 6.1466 6.1466 6.6614 6.6614 7.2763 7.2763 10.4627 10.4627 k = 0.2222-0.1596 0.1348 ( 6551 PWs) bands (ev): -65.1602 -65.1602 -37.2525 -37.2525 -36.3191 -36.3191 -36.2263 -36.2263 -10.1525 -10.1525 -9.7254 -9.7254 0.5499 0.5499 1.4060 1.4060 1.8228 1.8228 2.2411 2.2411 2.6953 2.6953 3.0169 3.0169 5.7322 5.7322 6.0249 6.0249 6.1405 6.1405 6.6570 6.6570 7.2665 7.2665 10.4016 10.4016 k = 0.2130-0.1530 0.1291 ( 6556 PWs) bands (ev): -65.1606 -65.1606 -37.2524 -37.2524 -36.3190 -36.3190 -36.2263 -36.2263 -10.1715 -10.1715 -9.7273 -9.7273 0.5225 0.5225 1.4611 1.4611 1.8652 1.8652 2.2387 2.2387 2.7294 2.7294 3.0568 3.0568 5.7390 5.7390 6.0067 6.0067 6.1334 6.1334 6.6528 6.6528 7.2583 7.2583 10.3309 10.3309 k = 0.2037-0.1463 0.1235 ( 6563 PWs) bands (ev): -65.1610 -65.1610 -37.2524 -37.2524 -36.3189 -36.3189 -36.2262 -36.2262 -10.1902 -10.1902 -9.7293 -9.7293 0.4940 0.4940 1.5115 1.5115 1.9133 1.9133 2.2379 2.2379 2.7646 2.7646 3.0963 3.0963 5.7446 5.7446 5.9875 5.9875 6.1261 6.1261 6.6484 6.6484 7.2521 7.2521 10.2519 10.2519 k = 0.1944-0.1397 0.1179 ( 6563 PWs) bands (ev): -65.1610 -65.1610 -37.2522 -37.2522 -36.3188 -36.3188 -36.2261 -36.2261 -10.2084 -10.2084 -9.7311 -9.7311 0.4647 0.4647 1.5572 1.5572 1.9652 1.9652 2.2401 2.2401 2.8007 2.8007 3.1350 3.1350 5.7505 5.7505 5.9685 5.9685 6.1195 6.1195 6.6455 6.6455 7.2472 7.2472 10.1665 10.1665 k = 0.1852-0.1330 0.1123 ( 6564 PWs) bands (ev): -65.1611 -65.1611 -37.2521 -37.2521 -36.3187 -36.3187 -36.2260 -36.2260 -10.2262 -10.2262 -9.7329 -9.7329 0.4350 0.4350 1.5988 1.5988 2.0173 2.0173 2.2478 2.2478 2.8376 2.8376 3.1728 3.1728 5.7562 5.7562 5.9483 5.9483 6.1117 6.1117 6.6436 6.6436 7.2441 7.2441 10.0762 10.0762 k = 0.1759-0.1264 0.1067 ( 6557 PWs) bands (ev): -65.1608 -65.1608 -37.2520 -37.2520 -36.3185 -36.3185 -36.2258 -36.2258 -10.2434 -10.2434 -9.7346 -9.7346 0.4051 0.4051 1.6370 1.6370 2.0643 2.0643 2.2649 2.2649 2.8753 2.8753 3.2096 3.2096 5.7615 5.7615 5.9284 5.9284 6.1040 6.1040 6.6434 6.6434 7.2438 7.2438 9.9824 9.9824 k = 0.1667-0.1197 0.1011 ( 6560 PWs) bands (ev): -65.1610 -65.1610 -37.2519 -37.2519 -36.3184 -36.3184 -36.2257 -36.2257 -10.2600 -10.2600 -9.7362 -9.7362 0.3754 0.3754 1.6722 1.6722 2.1001 2.1001 2.2959 2.2959 2.9136 2.9136 3.2452 3.2452 5.7637 5.7637 5.9093 5.9093 6.0949 6.0949 6.6424 6.6424 7.2438 7.2438 9.8858 9.8858 k = 0.1574-0.1131 0.0954 ( 6562 PWs) bands (ev): -65.1611 -65.1611 -37.2518 -37.2518 -36.3183 -36.3183 -36.2256 -36.2256 -10.2760 -10.2760 -9.7378 -9.7378 0.3461 0.3461 1.7050 1.7050 2.1227 2.1227 2.3422 2.3422 2.9525 2.9525 3.2795 3.2795 5.7659 5.7659 5.8897 5.8897 6.0854 6.0854 6.6414 6.6414 7.2461 7.2461 9.7879 9.7879 k = 0.1481-0.1064 0.0898 ( 6560 PWs) bands (ev): -65.1610 -65.1610 -37.2517 -37.2517 -36.3181 -36.3181 -36.2255 -36.2255 -10.2913 -10.2913 -9.7393 -9.7393 0.3174 0.3174 1.7358 1.7358 2.1353 2.1353 2.3991 2.3991 2.9922 2.9922 3.3125 3.3125 5.7646 5.7646 5.8737 5.8737 6.0756 6.0756 6.6412 6.6412 7.2508 7.2508 9.6897 9.6897 k = 0.1389-0.0998 0.0842 ( 6565 PWs) bands (ev): -65.1613 -65.1613 -37.2517 -37.2517 -36.3180 -36.3180 -36.2255 -36.2255 -10.3059 -10.3059 -9.7407 -9.7407 0.2895 0.2895 1.7646 1.7646 2.1422 2.1422 2.4612 2.4612 3.0325 3.0325 3.3438 3.3438 5.7595 5.7595 5.8601 5.8601 6.0648 6.0648 6.6402 6.6402 7.2562 7.2562 9.5920 9.5920 k = 0.1296-0.0931 0.0786 ( 6571 PWs) bands (ev): -65.1617 -65.1617 -37.2516 -37.2516 -36.3180 -36.3180 -36.2255 -36.2255 -10.3197 -10.3197 -9.7420 -9.7420 0.2627 0.2627 1.7914 1.7914 2.1465 2.1465 2.5248 2.5248 3.0735 3.0735 3.3737 3.3737 5.7499 5.7499 5.8500 5.8500 6.0529 6.0529 6.6401 6.6401 7.2632 7.2632 9.4959 9.4959 k = 0.1204-0.0865 0.0730 ( 6571 PWs) bands (ev): -65.1617 -65.1617 -37.2515 -37.2515 -36.3179 -36.3179 -36.2254 -36.2254 -10.3327 -10.3327 -9.7433 -9.7433 0.2372 0.2372 1.8163 1.8163 2.1497 2.1497 2.5874 2.5874 3.1154 3.1154 3.4019 3.4019 5.7361 5.7361 5.8452 5.8452 6.0420 6.0420 6.6400 6.6400 7.2721 7.2721 9.4025 9.4025 k = 0.1111-0.0798 0.0674 ( 6574 PWs) bands (ev): -65.1619 -65.1619 -37.2515 -37.2515 -36.3178 -36.3178 -36.2254 -36.2254 -10.3449 -10.3449 -9.7444 -9.7444 0.2130 0.2130 1.8392 1.8392 2.1527 2.1527 2.6474 2.6474 3.1579 3.1579 3.4284 3.4284 5.7189 5.7189 5.8425 5.8425 6.0305 6.0305 6.6403 6.6403 7.2823 7.2823 9.3122 9.3122 k = 0.1019-0.0732 0.0618 ( 6579 PWs) bands (ev): -65.1622 -65.1622 -37.2515 -37.2515 -36.3177 -36.3177 -36.2254 -36.2254 -10.3563 -10.3563 -9.7455 -9.7455 0.1903 0.1903 1.8599 1.8599 2.1559 2.1559 2.7035 2.7035 3.2011 3.2011 3.4532 3.4532 5.6994 5.6994 5.8417 5.8417 6.0193 6.0193 6.6397 6.6397 7.2935 7.2935 9.2258 9.2258 k = 0.0926-0.0665 0.0561 ( 6575 PWs) bands (ev): -65.1620 -65.1620 -37.2514 -37.2514 -36.3176 -36.3176 -36.2252 -36.2252 -10.3667 -10.3667 -9.7465 -9.7465 0.1692 0.1692 1.8786 1.8786 2.1597 2.1597 2.7549 2.7549 3.2446 3.2446 3.4764 3.4764 5.6797 5.6797 5.8421 5.8421 6.0091 6.0091 6.6409 6.6409 7.3066 7.3066 9.1445 9.1445 k = 0.0833-0.0599 0.0505 ( 6581 PWs) bands (ev): -65.1624 -65.1624 -37.2513 -37.2513 -36.3176 -36.3176 -36.2252 -36.2252 -10.3762 -10.3762 -9.7474 -9.7474 0.1498 0.1498 1.8947 1.8947 2.1638 2.1638 2.8011 2.8011 3.2878 3.2878 3.4978 3.4978 5.6599 5.6599 5.8420 5.8420 5.9984 5.9984 6.6406 6.6406 7.3183 7.3183 9.0685 9.0685 k = 0.0741-0.0532 0.0449 ( 6575 PWs) bands (ev): -65.1621 -65.1621 -37.2512 -37.2512 -36.3175 -36.3175 -36.2251 -36.2251 -10.3848 -10.3848 -9.7482 -9.7482 0.1323 0.1323 1.9087 1.9087 2.1687 2.1687 2.8418 2.8418 3.3301 3.3301 3.5175 3.5175 5.6418 5.6418 5.8430 5.8430 5.9895 5.9895 6.6419 6.6419 7.3312 7.3312 8.9990 8.9990 k = 0.0648-0.0466 0.0393 ( 6574 PWs) bands (ev): -65.1620 -65.1620 -37.2512 -37.2512 -36.3174 -36.3174 -36.2251 -36.2251 -10.3925 -10.3925 -9.7489 -9.7489 0.1167 0.1167 1.9206 1.9206 2.1739 2.1739 2.8770 2.8770 3.3705 3.3705 3.5356 3.5356 5.6238 5.6238 5.8423 5.8423 5.9815 5.9815 6.6420 6.6420 7.3446 7.3446 8.9360 8.9360 k = 0.0556-0.0399 0.0337 ( 6576 PWs) bands (ev): -65.1622 -65.1622 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.3991 -10.3991 -9.7495 -9.7495 0.1030 0.1030 1.9302 1.9302 2.1790 2.1790 2.9068 2.9068 3.4079 3.4079 3.5520 3.5520 5.6071 5.6071 5.8425 5.8425 5.9738 5.9738 6.6424 6.6424 7.3552 7.3552 8.8803 8.8803 k = 0.0463-0.0333 0.0281 ( 6581 PWs) bands (ev): -65.1625 -65.1625 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4048 -10.4048 -9.7500 -9.7500 0.0913 0.0913 1.9379 1.9379 2.1841 2.1841 2.9314 2.9314 3.4412 3.4412 3.5667 3.5667 5.5913 5.5913 5.8405 5.8405 5.9680 5.9680 6.6420 6.6420 7.3661 7.3661 8.8324 8.8324 k = 0.0370-0.0266 0.0225 ( 6586 PWs) bands (ev): -65.1628 -65.1628 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4094 -10.4094 -9.7504 -9.7504 0.0816 0.0816 1.9439 1.9439 2.1887 2.1887 2.9511 2.9511 3.4693 3.4693 3.5796 3.5796 5.5784 5.5784 5.8389 5.8389 5.9624 5.9624 6.6415 6.6415 7.3752 7.3752 8.7924 8.7924 k = 0.0278-0.0200 0.0168 ( 6588 PWs) bands (ev): -65.1629 -65.1629 -37.2512 -37.2512 -36.3174 -36.3174 -36.2250 -36.2250 -10.4131 -10.4131 -9.7508 -9.7508 0.0741 0.0741 1.9483 1.9483 2.1926 2.1926 2.9661 2.9661 3.4914 3.4914 3.5906 3.5906 5.5681 5.5681 5.8378 5.8378 5.9583 5.9583 6.6412 6.6412 7.3827 7.3827 8.7610 8.7610 k = 0.0185-0.0133 0.0112 ( 6592 PWs) bands (ev): -65.1632 -65.1632 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4157 -10.4157 -9.7510 -9.7510 0.0687 0.0687 1.9513 1.9513 2.1954 2.1954 2.9766 2.9766 3.5072 3.5072 3.5992 3.5992 5.5604 5.5604 5.8366 5.8366 5.9553 5.9553 6.6411 6.6411 7.3874 7.3874 8.7385 8.7385 k = 0.0093-0.0067 0.0056 ( 6594 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4172 -10.4172 -9.7511 -9.7511 0.0655 0.0655 1.9530 1.9530 2.1972 2.1972 2.9829 2.9829 3.5166 3.5166 3.6047 3.6047 5.5557 5.5557 5.8359 5.8359 5.9537 5.9537 6.6408 6.6408 7.3903 7.3903 8.7249 8.7249 k = 0.0000 0.0000 0.0000 ( 6595 PWs) bands (ev): -65.1633 -65.1633 -37.2512 -37.2512 -36.3175 -36.3175 -36.2250 -36.2250 -10.4177 -10.4177 -9.7512 -9.7512 0.0644 0.0644 1.9536 1.9536 2.1979 2.1979 2.9849 2.9849 3.5197 3.5197 3.6066 3.6066 5.5540 5.5540 5.8352 5.8352 5.9530 5.9530 6.6410 6.6410 7.3915 7.3915 8.7203 8.7203 Writing output data file CrBr2.save init_run : 0.15s CPU 0.72s WALL ( 1 calls) electrons : 103.53s CPU 107.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.26s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 103.52s CPU 107.67s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 402 calls) cegterg : 94.06s CPU 95.31s WALL ( 516 calls) Called by sum_band: Called by *egterg: h_psi : 62.06s CPU 63.40s WALL ( 8414 calls) s_psi : 1.01s CPU 1.03s WALL ( 8414 calls) g_psi : 0.26s CPU 0.24s WALL ( 7496 calls) cdiaghg : 26.29s CPU 26.31s WALL ( 7898 calls) cegterg:over : 4.09s CPU 3.94s WALL ( 7496 calls) cegterg:upda : 3.53s CPU 3.57s WALL ( 7496 calls) cegterg:last : 2.08s CPU 2.31s WALL ( 1320 calls) cdiaghg:chol : 1.45s CPU 1.52s WALL ( 7898 calls) cdiaghg:inve : 0.66s CPU 0.61s WALL ( 7898 calls) cdiaghg:para : 1.76s CPU 1.68s WALL ( 15796 calls) Called by h_psi: h_psi:vloc : 57.64s CPU 59.12s WALL ( 8414 calls) h_psi:vnl : 4.16s CPU 4.06s WALL ( 8414 calls) add_vuspsi : 1.72s CPU 1.88s WALL ( 8414 calls) General routines calbec : 2.42s CPU 2.16s WALL ( 8414 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 54.75s CPU 56.16s WALL ( 534164 calls) davcio : 0.18s CPU 0.26s WALL ( 804 calls) Parallel routines fft_scatter : 17.49s CPU 17.94s WALL ( 534179 calls) PWSCF : 2m 1.24s CPU 2m58.77s WALL This run was terminated on: 15:51:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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