Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:23:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./BaLi2xMgSix2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 130 130 36 4170 4170 604 Max 132 132 37 4171 4171 606 Sum 4701 4701 1299 150131 150131 21757 bravais-lattice index = 14 lattice parameter (alat) = 17.1537 a.u. unit-cell volume = 1063.6495 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.153663 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.872824 celldm(5)= 0.872824 celldm(6)= 0.872824 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.872824 0.488035 0.000000 ) a(3) = ( 0.872824 0.227447 0.431794 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.788444 -1.079327 ) b(2) = ( 0.000000 2.049032 -1.079327 ) b(3) = ( 0.000000 0.000000 2.315919 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 PseudoPot. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Li 3.00 6.94100 Li( 1.00) Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 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= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0121951 -0.0218103 -0.0131625), wk = 0.0037736 k( 3) = ( 0.0243902 -0.0436206 -0.0263250), wk = 0.0037736 k( 4) = ( 0.0365854 -0.0654309 -0.0394876), wk = 0.0037736 k( 5) = ( 0.0487805 -0.0872412 -0.0526501), wk = 0.0037736 k( 6) = ( 0.0609756 -0.1090515 -0.0658126), wk = 0.0037736 k( 7) = ( 0.0731707 -0.1308618 -0.0789751), wk = 0.0037736 k( 8) = ( 0.0853658 -0.1526721 -0.0921377), wk = 0.0037736 k( 9) = ( 0.0975610 -0.1744824 -0.1053002), wk = 0.0037736 k( 10) = ( 0.1097561 -0.1962927 -0.1184627), wk = 0.0037736 k( 11) = ( 0.1219512 -0.2181030 -0.1316252), wk = 0.0037736 k( 12) = ( 0.1341463 -0.2399132 -0.1447877), wk = 0.0037736 k( 13) = ( 0.1463415 -0.2617235 -0.1579503), wk = 0.0037736 k( 14) = ( 0.1585366 -0.2835338 -0.1711128), wk = 0.0037736 k( 15) = ( 0.1707317 -0.3053441 -0.1842753), wk = 0.0037736 k( 16) = ( 0.1829268 -0.3271544 -0.1974378), wk = 0.0037736 k( 17) = ( 0.1951219 -0.3489647 -0.2106004), wk = 0.0037736 k( 18) = ( 0.2073171 -0.3707750 -0.2237629), wk = 0.0037736 k( 19) = ( 0.2195122 -0.3925853 -0.2369254), wk = 0.0037736 k( 20) = ( 0.2317073 -0.4143956 -0.2500879), wk = 0.0037736 k( 21) = ( 0.2439024 -0.4362059 -0.2632505), wk = 0.0037736 k( 22) = ( 0.2560976 -0.4580162 -0.2764130), wk = 0.0037736 k( 23) = ( 0.2682927 -0.4798265 -0.2895755), wk = 0.0037736 k( 24) = ( 0.2804878 -0.5016368 -0.3027380), wk = 0.0037736 k( 25) = ( 0.2926829 -0.5234471 -0.3159005), wk = 0.0037736 k( 26) = ( 0.3048781 -0.5452574 -0.3290631), wk = 0.0037736 k( 27) = ( 0.3170732 -0.5670677 -0.3422256), wk = 0.0037736 k( 28) = ( 0.3292683 -0.5888780 -0.3553881), wk = 0.0037736 k( 29) = ( 0.3414634 -0.6106883 -0.3685506), wk = 0.0037736 k( 30) = ( 0.3536585 -0.6324986 -0.3817132), wk = 0.0037736 k( 31) = ( 0.3658537 -0.6543089 -0.3948757), wk = 0.0037736 k( 32) = ( 0.3780488 -0.6761191 -0.4080382), wk = 0.0037736 k( 33) = ( 0.3902439 -0.6979294 -0.4212007), wk = 0.0037736 k( 34) = ( 0.4024390 -0.7197397 -0.4343632), wk = 0.0037736 k( 35) = ( 0.4146341 -0.7415500 -0.4475258), wk = 0.0037736 k( 36) = ( 0.4268293 -0.7633603 -0.4606883), wk = 0.0037736 k( 37) = ( 0.4390244 -0.7851706 -0.4738508), wk = 0.0037736 k( 38) = ( 0.4512195 -0.8069809 -0.4870133), wk = 0.0037736 k( 39) = ( 0.4634146 -0.8287912 -0.5001759), wk = 0.0037736 k( 40) = ( 0.4756098 -0.8506015 -0.5133384), wk = 0.0037736 k( 41) = ( 0.4878049 -0.8724118 -0.5265009), wk = 0.0037736 k( 42) = ( 0.5000000 -0.8942221 -0.5396634), wk = 0.0037736 k( 43) = ( 0.5000000 -0.8942221 -0.5396634), wk = 0.0037736 k( 44) = ( 0.5000000 -0.8792964 -0.5643953), wk = 0.0037736 k( 45) = ( 0.5000000 -0.8643708 -0.5891271), wk = 0.0037736 k( 46) = ( 0.5000000 -0.8494451 -0.6138589), wk = 0.0037736 k( 47) = ( 0.5000000 -0.8345194 -0.6385908), wk = 0.0037736 k( 48) = ( 0.5000000 -0.8195937 -0.6633226), wk = 0.0037736 k( 49) = ( 0.5000000 -0.8046681 -0.6880544), wk = 0.0037736 k( 50) = ( 0.5000000 -0.7897424 -0.7127863), wk = 0.0037736 k( 51) = ( 0.5000000 -0.7748167 -0.7375181), wk = 0.0037736 k( 52) = ( 0.5000000 -0.7598910 -0.7622499), wk = 0.0037736 k( 53) = ( 0.5000000 -0.7449654 -0.7869818), wk = 0.0037736 k( 54) = ( 0.5000000 -0.7300397 -0.8117136), wk = 0.0037736 k( 55) = ( 0.5000000 -0.7151140 -0.8364455), wk = 0.0037736 k( 56) = ( 0.5000000 -0.7001883 -0.8611773), wk = 0.0037736 k( 57) = ( 0.5000000 -0.6852627 -0.8859091), wk = 0.0037736 k( 58) = ( 0.5000000 -0.6703370 -0.9106410), wk = 0.0037736 k( 59) = ( 0.5000000 -0.6554113 -0.9353728), wk = 0.0037736 k( 60) = ( 0.5000000 -0.6404857 -0.9601046), wk = 0.0037736 k( 61) = ( 0.5000000 -0.6255600 -0.9848365), wk = 0.0037736 k( 62) = ( 0.5000000 -0.6106343 -1.0095683), wk = 0.0037736 k( 63) = ( 0.5000000 -0.5957086 -1.0343001), wk = 0.0037736 k( 64) = ( 0.5000000 -0.5807829 -1.0590320), wk = 0.0037736 k( 65) = ( 0.5000000 -0.5658573 -1.0837638), wk = 0.0037736 k( 66) = ( 0.5000000 -0.5509316 -1.1084957), wk = 0.0037736 k( 67) = ( 0.5000000 -0.5360059 -1.1332275), wk = 0.0037736 k( 68) = ( 0.5000000 -0.5210803 -1.1579593), wk = 0.0037736 k( 69) = ( 0.8178936 -0.4382410 -1.0006944), wk = 0.0037736 k( 70) = ( 0.8106688 -0.4253198 -0.9761642), wk = 0.0037736 k( 71) = ( 0.8034439 -0.4123985 -0.9516341), wk = 0.0037736 k( 72) = ( 0.7962191 -0.3994773 -0.9271039), wk = 0.0037736 k( 73) = ( 0.7889942 -0.3865560 -0.9025738), wk = 0.0037736 k( 74) = ( 0.7817693 -0.3736348 -0.8780436), wk = 0.0037736 k( 75) = ( 0.7745445 -0.3607135 -0.8535134), wk = 0.0037736 k( 76) = ( 0.7673196 -0.3477923 -0.8289833), wk = 0.0037736 k( 77) = ( 0.7600948 -0.3348710 -0.8044531), wk = 0.0037736 k( 78) = ( 0.7528699 -0.3219498 -0.7799230), wk = 0.0037736 k( 79) = ( 0.7456451 -0.3090285 -0.7553928), wk = 0.0037736 k( 80) = ( 0.7384202 -0.2961073 -0.7308627), wk = 0.0037736 k( 81) = ( 0.7311954 -0.2831860 -0.7063325), wk = 0.0037736 k( 82) = ( 0.7239705 -0.2702648 -0.6818024), wk = 0.0037736 k( 83) = ( 0.7167456 -0.2573435 -0.6572722), wk = 0.0037736 k( 84) = ( 0.7095208 -0.2444223 -0.6327421), wk = 0.0037736 k( 85) = ( 0.7022959 -0.2315010 -0.6082119), wk = 0.0037736 k( 86) = ( 0.6950711 -0.2185798 -0.5836817), wk = 0.0037736 k( 87) = ( 0.6878462 -0.2056585 -0.5591516), wk = 0.0037736 k( 88) = ( 0.6806214 -0.1927373 -0.5346214), wk = 0.0037736 k( 89) = ( 0.6733965 -0.1798160 -0.5100913), wk = 0.0037736 k( 90) = ( 0.6661717 -0.1668948 -0.4855611), wk = 0.0037736 k( 91) = ( 0.6589468 -0.1539735 -0.4610310), wk = 0.0037736 k( 92) = ( 0.6517219 -0.1410523 -0.4365008), wk = 0.0037736 k( 93) = ( 0.6444971 -0.1281310 -0.4119707), wk = 0.0037736 k( 94) = ( 0.6372722 -0.1152098 -0.3874405), wk = 0.0037736 k( 95) = ( 0.6300474 -0.1022885 -0.3629104), wk = 0.0037736 k( 96) = ( 0.6228225 -0.0893673 -0.3383802), wk = 0.0037736 k( 97) = ( 0.6155977 -0.0764460 -0.3138500), wk = 0.0037736 k( 98) = ( 0.6083728 -0.0635248 -0.2893199), wk = 0.0037736 k( 99) = ( 0.6011480 -0.0506035 -0.2647897), wk = 0.0037736 k( 100) = ( 0.5939231 -0.0376823 -0.2402596), wk = 0.0037736 k( 101) = ( 0.5866983 -0.0247610 -0.2157294), wk = 0.0037736 k( 102) = ( 0.5794734 -0.0118398 -0.1911992), wk = 0.0037736 k( 103) = ( 0.5722485 0.0010815 -0.1666691), wk = 0.0037736 k( 104) = ( 0.5650237 0.0140027 -0.1421389), wk = 0.0037736 k( 105) = ( 0.5577988 0.0269240 -0.1176088), wk = 0.0037736 k( 106) = ( 0.5505740 0.0398452 -0.0930786), wk = 0.0037736 k( 107) = ( 0.5433491 0.0527665 -0.0685485), wk = 0.0037736 k( 108) = ( 0.5361243 0.0656877 -0.0440183), wk = 0.0037736 k( 109) = ( 0.5288994 0.0786090 -0.0194882), wk = 0.0037736 k( 110) = ( 0.5216746 0.0915302 0.0050420), wk = 0.0037736 k( 111) = ( 0.5144497 0.1044515 0.0295722), wk = 0.0037736 k( 112) = ( 0.5072248 0.1173727 0.0541023), wk = 0.0037736 k( 113) = ( 0.5000000 0.1302940 0.0786325), wk = 0.0037736 k( 114) = ( 0.5000000 0.1302940 0.0786325), wk = 0.0037736 k( 115) = ( 0.4736842 0.1234364 0.0744939), wk = 0.0037736 k( 116) = ( 0.4473684 0.1165788 0.0703554), wk = 0.0037736 k( 117) = ( 0.4210526 0.1097212 0.0662168), wk = 0.0037736 k( 118) = ( 0.3947368 0.1028637 0.0620783), wk = 0.0037736 k( 119) = ( 0.3684211 0.0960061 0.0579397), wk = 0.0037736 k( 120) = ( 0.3421053 0.0891485 0.0538012), wk = 0.0037736 k( 121) = ( 0.3157895 0.0822909 0.0496626), wk = 0.0037736 k( 122) = ( 0.2894737 0.0754333 0.0455241), wk = 0.0037736 k( 123) = ( 0.2631579 0.0685758 0.0413855), wk = 0.0037736 k( 124) = ( 0.2368421 0.0617182 0.0372470), wk = 0.0037736 k( 125) = ( 0.2105263 0.0548606 0.0331084), wk = 0.0037736 k( 126) = ( 0.1842105 0.0480030 0.0289699), wk = 0.0037736 k( 127) = ( 0.1578947 0.0411455 0.0248313), wk = 0.0037736 k( 128) = ( 0.1315790 0.0342879 0.0206928), wk = 0.0037736 k( 129) = ( 0.1052632 0.0274303 0.0165542), wk = 0.0037736 k( 130) = ( 0.0789474 0.0205727 0.0124157), wk = 0.0037736 k( 131) = ( 0.0526316 0.0137152 0.0082771), wk = 0.0037736 k( 132) = ( 0.0263158 0.0068576 0.0041386), wk = 0.0037736 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 135) = ( 0.0072565 -0.0129778 -0.0246374), wk = 0.0037736 k( 136) = ( 0.0145129 -0.0259555 -0.0492749), wk = 0.0037736 k( 137) = ( 0.0217693 -0.0389333 -0.0739123), wk = 0.0037736 k( 138) = ( 0.0290258 -0.0519110 -0.0985497), wk = 0.0037736 k( 139) = ( 0.0362823 -0.0648888 -0.1231871), wk = 0.0037736 k( 140) = ( 0.0435387 -0.0778666 -0.1478246), wk = 0.0037736 k( 141) = ( 0.0507952 -0.0908443 -0.1724620), wk = 0.0037736 k( 142) = ( 0.0580516 -0.1038221 -0.1970995), wk = 0.0037736 k( 143) = ( 0.0653081 -0.1167998 -0.2217369), wk = 0.0037736 k( 144) = ( 0.0725645 -0.1297776 -0.2463743), wk = 0.0037736 k( 145) = ( 0.0798210 -0.1427553 -0.2710118), wk = 0.0037736 k( 146) = ( 0.0870774 -0.1557331 -0.2956492), wk = 0.0037736 k( 147) = ( 0.0943339 -0.1687108 -0.3202866), wk = 0.0037736 k( 148) = ( 0.1015903 -0.1816886 -0.3449240), wk = 0.0037736 k( 149) = ( 0.1088468 -0.1946664 -0.3695615), wk = 0.0037736 k( 150) = ( 0.1161032 -0.2076441 -0.3941989), wk = 0.0037736 k( 151) = ( 0.1233597 -0.2206219 -0.4188364), wk = 0.0037736 k( 152) = ( 0.1306161 -0.2335996 -0.4434738), wk = 0.0037736 k( 153) = ( 0.1378726 -0.2465774 -0.4681112), wk = 0.0037736 k( 154) = ( 0.1451290 -0.2595552 -0.4927487), wk = 0.0037736 k( 155) = ( 0.1523855 -0.2725329 -0.5173861), wk = 0.0037736 k( 156) = ( 0.1596419 -0.2855107 -0.5420235), wk = 0.0037736 k( 157) = ( 0.1668984 -0.2984884 -0.5666609), wk = 0.0037736 k( 158) = ( 0.1741548 -0.3114662 -0.5912984), wk = 0.0037736 k( 159) = ( 0.1814113 -0.3244439 -0.6159358), wk = 0.0037736 k( 160) = ( 0.1886677 -0.3374217 -0.6405732), wk = 0.0037736 k( 161) = ( 0.1959242 -0.3503995 -0.6652107), wk = 0.0037736 k( 162) = ( 0.2031806 -0.3633772 -0.6898481), wk = 0.0037736 k( 163) = ( 0.2104371 -0.3763550 -0.7144855), wk = 0.0037736 k( 164) = ( 0.2176935 -0.3893327 -0.7391230), wk = 0.0037736 k( 165) = ( 0.2249500 -0.4023105 -0.7637604), wk = 0.0037736 k( 166) = ( 0.2322064 -0.4152882 -0.7883978), wk = 0.0037736 k( 167) = ( 0.2394629 -0.4282660 -0.8130353), wk = 0.0037736 k( 168) = ( 0.2467193 -0.4412438 -0.8376727), wk = 0.0037736 k( 169) = ( 0.2539758 -0.4542215 -0.8623101), wk = 0.0037736 k( 170) = ( 0.2612322 -0.4671993 -0.8869476), wk = 0.0037736 k( 171) = ( 0.2684887 -0.4801770 -0.9115850), wk = 0.0037736 k( 172) = ( 0.2757451 -0.4931548 -0.9362224), wk = 0.0037736 k( 173) = ( 0.2830016 -0.5061326 -0.9608599), wk = 0.0037736 k( 174) = ( 0.2902580 -0.5191103 -0.9854973), wk = 0.0037736 k( 175) = ( 0.2975145 -0.5320881 -1.0101347), wk = 0.0037736 k( 176) = ( 0.3047709 -0.5450658 -1.0347722), wk = 0.0037736 k( 177) = ( 0.3120274 -0.5580436 -1.0594096), wk = 0.0037736 k( 178) = ( 0.3192838 -0.5710213 -1.0840470), wk = 0.0037736 k( 179) = ( 0.3265403 -0.5839991 -1.1086844), wk = 0.0037736 k( 180) = ( 0.3337967 -0.5969768 -1.1333219), wk = 0.0037736 k( 181) = ( 0.3410532 -0.6099546 -1.1579593), wk = 0.0037736 k( 182) = ( 0.6589468 -0.4796607 -1.0793269), wk = 0.0037736 k( 183) = ( 0.6517219 -0.4519354 -1.0793269), wk = 0.0037736 k( 184) = ( 0.6444971 -0.4242102 -1.0793269), wk = 0.0037736 k( 185) = ( 0.6372722 -0.3964850 -1.0793269), wk = 0.0037736 k( 186) = ( 0.6300474 -0.3687598 -1.0793269), wk = 0.0037736 k( 187) = ( 0.6228225 -0.3410346 -1.0793269), wk = 0.0037736 k( 188) = ( 0.6155977 -0.3133094 -1.0793269), wk = 0.0037736 k( 189) = ( 0.6083728 -0.2855842 -1.0793269), wk = 0.0037736 k( 190) = ( 0.6011480 -0.2578590 -1.0793269), wk = 0.0037736 k( 191) = ( 0.5939231 -0.2301337 -1.0793269), wk = 0.0037736 k( 192) = ( 0.5866983 -0.2024086 -1.0793269), wk = 0.0037736 k( 193) = ( 0.5794734 -0.1746833 -1.0793269), wk = 0.0037736 k( 194) = ( 0.5722485 -0.1469581 -1.0793269), wk = 0.0037736 k( 195) = ( 0.5650237 -0.1192329 -1.0793269), wk = 0.0037736 k( 196) = ( 0.5577988 -0.0915077 -1.0793269), wk = 0.0037736 k( 197) = ( 0.5505740 -0.0637825 -1.0793269), wk = 0.0037736 k( 198) = ( 0.5433491 -0.0360573 -1.0793269), wk = 0.0037736 k( 199) = ( 0.5361243 -0.0083321 -1.0793269), wk = 0.0037736 k( 200) = ( 0.5288994 0.0193931 -1.0793269), wk = 0.0037736 k( 201) = ( 0.5216746 0.0471184 -1.0793269), wk = 0.0037736 k( 202) = ( 0.5144497 0.0748435 -1.0793269), wk = 0.0037736 k( 203) = ( 0.5072248 0.1025688 -1.0793269), wk = 0.0037736 k( 204) = ( 0.5000000 0.1302940 -1.0793269), wk = 0.0037736 k( 205) = ( 0.5000000 0.1302940 -1.0793269), wk = 0.0037736 k( 206) = ( 0.5227067 0.1362111 -1.0680936), wk = 0.0037736 k( 207) = ( 0.5454134 0.1421281 -1.0568604), wk = 0.0037736 k( 208) = ( 0.5681201 0.1480452 -1.0456272), wk = 0.0037736 k( 209) = ( 0.5908267 0.1539623 -1.0343940), wk = 0.0037736 k( 210) = ( 0.6135334 0.1598794 -1.0231608), wk = 0.0037736 k( 211) = ( 0.6362401 0.1657965 -1.0119276), wk = 0.0037736 k( 212) = ( 0.6589468 0.1717136 -1.0006944), wk = 0.0037736 k( 213) = ( 0.6589468 0.1717136 -1.0006944), wk = 0.0037736 k( 214) = ( 0.6547640 0.1706236 -0.9722911), wk = 0.0037736 k( 215) = ( 0.6505812 0.1695336 -0.9438877), wk = 0.0037736 k( 216) = ( 0.6463984 0.1684436 -0.9154844), wk = 0.0037736 k( 217) = ( 0.6422156 0.1673536 -0.8870810), wk = 0.0037736 k( 218) = ( 0.6380328 0.1662636 -0.8586777), wk = 0.0037736 k( 219) = ( 0.6338499 0.1651736 -0.8302743), wk = 0.0037736 k( 220) = ( 0.6296671 0.1640837 -0.8018710), wk = 0.0037736 k( 221) = ( 0.6254843 0.1629937 -0.7734677), wk = 0.0037736 k( 222) = ( 0.6213015 0.1619037 -0.7450643), wk = 0.0037736 k( 223) = ( 0.6171187 0.1608137 -0.7166610), wk = 0.0037736 k( 224) = ( 0.6129359 0.1597237 -0.6882577), wk = 0.0037736 k( 225) = ( 0.6087531 0.1586337 -0.6598543), wk = 0.0037736 k( 226) = ( 0.6045703 0.1575437 -0.6314510), wk = 0.0037736 k( 227) = ( 0.6003875 0.1564537 -0.6030477), wk = 0.0037736 k( 228) = ( 0.5962047 0.1553637 -0.5746443), wk = 0.0037736 k( 229) = ( 0.5920218 0.1542737 -0.5462410), wk = 0.0037736 k( 230) = ( 0.5878390 0.1531838 -0.5178376), wk = 0.0037736 k( 231) = ( 0.5836562 0.1520938 -0.4894343), wk = 0.0037736 k( 232) = ( 0.5794734 0.1510038 -0.4610310), wk = 0.0037736 k( 233) = ( 0.5752906 0.1499138 -0.4326276), wk = 0.0037736 k( 234) = ( 0.5711078 0.1488238 -0.4042243), wk = 0.0037736 k( 235) = ( 0.5669250 0.1477338 -0.3758209), wk = 0.0037736 k( 236) = ( 0.5627422 0.1466438 -0.3474176), wk = 0.0037736 k( 237) = ( 0.5585594 0.1455538 -0.3190143), wk = 0.0037736 k( 238) = ( 0.5543765 0.1444638 -0.2906109), wk = 0.0037736 k( 239) = ( 0.5501937 0.1433738 -0.2622076), wk = 0.0037736 k( 240) = ( 0.5460109 0.1422839 -0.2338043), wk = 0.0037736 k( 241) = ( 0.5418281 0.1411939 -0.2054009), wk = 0.0037736 k( 242) = ( 0.5376453 0.1401039 -0.1769976), wk = 0.0037736 k( 243) = ( 0.5334625 0.1390139 -0.1485942), wk = 0.0037736 k( 244) = ( 0.5292797 0.1379239 -0.1201909), wk = 0.0037736 k( 245) = ( 0.5250969 0.1368339 -0.0917876), wk = 0.0037736 k( 246) = ( 0.5209141 0.1357439 -0.0633842), wk = 0.0037736 k( 247) = ( 0.5167312 0.1346539 -0.0349809), wk = 0.0037736 k( 248) = ( 0.5125484 0.1335639 -0.0065775), wk = 0.0037736 k( 249) = ( 0.5083656 0.1324739 0.0218258), wk = 0.0037736 k( 250) = ( 0.5041828 0.1313840 0.0502291), wk = 0.0037736 k( 251) = ( 0.5000000 0.1302940 0.0786325), wk = 0.0037736 k( 252) = ( 0.5000000 -0.8942221 -0.5396634), wk = 0.0037736 k( 253) = ( 0.5244534 -0.8841995 -0.5336148), wk = 0.0037736 k( 254) = ( 0.5489067 -0.8741769 -0.5275661), wk = 0.0037736 k( 255) = ( 0.5733601 -0.8641543 -0.5215175), wk = 0.0037736 k( 256) = ( 0.5978134 -0.8541317 -0.5154688), wk = 0.0037736 k( 257) = ( 0.6222668 -0.8441090 -0.5094202), wk = 0.0037736 k( 258) = ( 0.6467201 -0.8340864 -0.5033715), wk = 0.0037736 k( 259) = ( 0.6711735 -0.8240638 -0.4973229), wk = 0.0037736 k( 260) = ( 0.6956268 -0.8140412 -0.4912742), wk = 0.0037736 k( 261) = ( 0.7200802 -0.8040186 -0.4852256), wk = 0.0037736 k( 262) = ( 0.7445335 -0.7939960 -0.4791769), wk = 0.0037736 k( 263) = ( 0.7689869 -0.7839734 -0.4731283), wk = 0.0037736 k( 264) = ( 0.7934403 -0.7739508 -0.4670796), wk = 0.0037736 k( 265) = ( 0.8178936 -0.7639281 -0.4610310), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0037736 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0037736 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0037736 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0037736 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0037736 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0037736 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0037736 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0037736 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0037736 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0037736 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0037736 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0037736 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0037736 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0037736 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0037736 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0037736 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0037736 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0037736 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0037736 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0037736 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0037736 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0037736 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0037736 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0037736 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0037736 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0037736 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0037736 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0037736 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0037736 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0037736 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0037736 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0037736 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0037736 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0037736 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 44) = ( 0.5000000 0.0072843 -0.0072843), wk = 0.0037736 k( 45) = ( 0.5000000 0.0145685 -0.0145685), wk = 0.0037736 k( 46) = ( 0.5000000 0.0218528 -0.0218528), wk = 0.0037736 k( 47) = ( 0.5000000 0.0291370 -0.0291370), wk = 0.0037736 k( 48) = ( 0.5000000 0.0364213 -0.0364213), wk = 0.0037736 k( 49) = ( 0.5000000 0.0437055 -0.0437055), wk = 0.0037736 k( 50) = ( 0.5000000 0.0509898 -0.0509898), wk = 0.0037736 k( 51) = ( 0.5000000 0.0582740 -0.0582740), wk = 0.0037736 k( 52) = ( 0.5000000 0.0655583 -0.0655583), wk = 0.0037736 k( 53) = ( 0.5000000 0.0728426 -0.0728425), wk = 0.0037736 k( 54) = ( 0.5000000 0.0801268 -0.0801268), wk = 0.0037736 k( 55) = ( 0.5000000 0.0874111 -0.0874111), wk = 0.0037736 k( 56) = ( 0.5000000 0.0946953 -0.0946953), wk = 0.0037736 k( 57) = ( 0.5000000 0.1019796 -0.1019796), wk = 0.0037736 k( 58) = ( 0.5000000 0.1092638 -0.1092638), wk = 0.0037736 k( 59) = ( 0.5000000 0.1165481 -0.1165481), wk = 0.0037736 k( 60) = ( 0.5000000 0.1238323 -0.1238323), wk = 0.0037736 k( 61) = ( 0.5000000 0.1311166 -0.1311166), wk = 0.0037736 k( 62) = ( 0.5000000 0.1384009 -0.1384008), wk = 0.0037736 k( 63) = ( 0.5000000 0.1456851 -0.1456851), wk = 0.0037736 k( 64) = ( 0.5000000 0.1529694 -0.1529694), wk = 0.0037736 k( 65) = ( 0.5000000 0.1602536 -0.1602536), wk = 0.0037736 k( 66) = ( 0.5000000 0.1675379 -0.1675379), wk = 0.0037736 k( 67) = ( 0.5000000 0.1748221 -0.1748221), wk = 0.0037736 k( 68) = ( 0.5000000 0.1821064 -0.1821064), wk = 0.0037736 k( 69) = ( 0.8178936 0.5000000 0.1821064), wk = 0.0037736 k( 70) = ( 0.8106688 0.5000000 0.1893312), wk = 0.0037736 k( 71) = ( 0.8034439 0.5000000 0.1965561), wk = 0.0037736 k( 72) = ( 0.7962191 0.5000000 0.2037809), wk = 0.0037736 k( 73) = ( 0.7889942 0.5000000 0.2110058), wk = 0.0037736 k( 74) = ( 0.7817693 0.5000000 0.2182307), wk = 0.0037736 k( 75) = ( 0.7745445 0.5000000 0.2254555), wk = 0.0037736 k( 76) = ( 0.7673196 0.5000000 0.2326804), wk = 0.0037736 k( 77) = ( 0.7600948 0.5000000 0.2399052), wk = 0.0037736 k( 78) = ( 0.7528699 0.5000000 0.2471301), wk = 0.0037736 k( 79) = ( 0.7456451 0.5000000 0.2543549), wk = 0.0037736 k( 80) = ( 0.7384202 0.5000000 0.2615798), wk = 0.0037736 k( 81) = ( 0.7311954 0.5000000 0.2688046), wk = 0.0037736 k( 82) = ( 0.7239705 0.5000000 0.2760295), wk = 0.0037736 k( 83) = ( 0.7167456 0.5000000 0.2832544), wk = 0.0037736 k( 84) = ( 0.7095208 0.5000000 0.2904792), wk = 0.0037736 k( 85) = ( 0.7022959 0.5000000 0.2977041), wk = 0.0037736 k( 86) = ( 0.6950711 0.5000000 0.3049289), wk = 0.0037736 k( 87) = ( 0.6878462 0.5000000 0.3121538), wk = 0.0037736 k( 88) = ( 0.6806214 0.5000000 0.3193786), wk = 0.0037736 k( 89) = ( 0.6733965 0.5000000 0.3266035), wk = 0.0037736 k( 90) = ( 0.6661717 0.5000000 0.3338283), wk = 0.0037736 k( 91) = ( 0.6589468 0.5000000 0.3410532), wk = 0.0037736 k( 92) = ( 0.6517219 0.5000000 0.3482781), wk = 0.0037736 k( 93) = ( 0.6444971 0.5000000 0.3555029), wk = 0.0037736 k( 94) = ( 0.6372722 0.5000000 0.3627278), wk = 0.0037736 k( 95) = ( 0.6300474 0.5000000 0.3699526), wk = 0.0037736 k( 96) = ( 0.6228225 0.5000000 0.3771775), wk = 0.0037736 k( 97) = ( 0.6155977 0.5000000 0.3844023), wk = 0.0037736 k( 98) = ( 0.6083728 0.5000000 0.3916272), wk = 0.0037736 k( 99) = ( 0.6011480 0.5000000 0.3988520), wk = 0.0037736 k( 100) = ( 0.5939231 0.5000000 0.4060769), wk = 0.0037736 k( 101) = ( 0.5866983 0.5000000 0.4133017), wk = 0.0037736 k( 102) = ( 0.5794734 0.5000000 0.4205266), wk = 0.0037736 k( 103) = ( 0.5722485 0.5000000 0.4277514), wk = 0.0037736 k( 104) = ( 0.5650237 0.5000000 0.4349763), wk = 0.0037736 k( 105) = ( 0.5577988 0.5000000 0.4422012), wk = 0.0037736 k( 106) = ( 0.5505740 0.5000000 0.4494260), wk = 0.0037736 k( 107) = ( 0.5433491 0.5000000 0.4566509), wk = 0.0037736 k( 108) = ( 0.5361243 0.5000000 0.4638757), wk = 0.0037736 k( 109) = ( 0.5288994 0.5000000 0.4711006), wk = 0.0037736 k( 110) = ( 0.5216746 0.5000000 0.4783254), wk = 0.0037736 k( 111) = ( 0.5144497 0.5000000 0.4855503), wk = 0.0037736 k( 112) = ( 0.5072248 0.5000000 0.4927751), wk = 0.0037736 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 115) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0037736 k( 116) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0037736 k( 117) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0037736 k( 118) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0037736 k( 119) = ( 0.3684211 0.3684211 0.3684210), wk = 0.0037736 k( 120) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0037736 k( 121) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0037736 k( 122) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0037736 k( 123) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0037736 k( 124) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0037736 k( 125) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0037736 k( 126) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0037736 k( 127) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0037736 k( 128) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0037736 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0037736 k( 130) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0037736 k( 131) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0037736 k( 132) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0037736 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 135) = ( 0.0072565 0.0000000 -0.0072564), wk = 0.0037736 k( 136) = ( 0.0145129 0.0000000 -0.0145129), wk = 0.0037736 k( 137) = ( 0.0217693 0.0000000 -0.0217693), wk = 0.0037736 k( 138) = ( 0.0290258 0.0000000 -0.0290258), wk = 0.0037736 k( 139) = ( 0.0362823 0.0000000 -0.0362822), wk = 0.0037736 k( 140) = ( 0.0435387 0.0000000 -0.0435387), wk = 0.0037736 k( 141) = ( 0.0507952 0.0000000 -0.0507952), wk = 0.0037736 k( 142) = ( 0.0580516 0.0000000 -0.0580516), wk = 0.0037736 k( 143) = ( 0.0653081 0.0000000 -0.0653081), wk = 0.0037736 k( 144) = ( 0.0725645 0.0000000 -0.0725645), wk = 0.0037736 k( 145) = ( 0.0798210 -0.0000000 -0.0798210), wk = 0.0037736 k( 146) = ( 0.0870774 0.0000000 -0.0870774), wk = 0.0037736 k( 147) = ( 0.0943339 0.0000000 -0.0943339), wk = 0.0037736 k( 148) = ( 0.1015903 0.0000000 -0.1015903), wk = 0.0037736 k( 149) = ( 0.1088468 0.0000000 -0.1088468), wk = 0.0037736 k( 150) = ( 0.1161032 0.0000000 -0.1161032), wk = 0.0037736 k( 151) = ( 0.1233597 0.0000000 -0.1233597), wk = 0.0037736 k( 152) = ( 0.1306161 0.0000000 -0.1306161), wk = 0.0037736 k( 153) = ( 0.1378726 0.0000000 -0.1378726), wk = 0.0037736 k( 154) = ( 0.1451290 0.0000000 -0.1451290), wk = 0.0037736 k( 155) = ( 0.1523855 0.0000000 -0.1523855), wk = 0.0037736 k( 156) = ( 0.1596419 -0.0000000 -0.1596419), wk = 0.0037736 k( 157) = ( 0.1668984 0.0000000 -0.1668984), wk = 0.0037736 k( 158) = ( 0.1741548 0.0000000 -0.1741548), wk = 0.0037736 k( 159) = ( 0.1814113 0.0000000 -0.1814113), wk = 0.0037736 k( 160) = ( 0.1886677 0.0000000 -0.1886677), wk = 0.0037736 k( 161) = ( 0.1959242 0.0000000 -0.1959242), wk = 0.0037736 k( 162) = ( 0.2031806 0.0000000 -0.2031806), wk = 0.0037736 k( 163) = ( 0.2104371 0.0000000 -0.2104371), wk = 0.0037736 k( 164) = ( 0.2176935 0.0000000 -0.2176935), wk = 0.0037736 k( 165) = ( 0.2249500 0.0000000 -0.2249500), wk = 0.0037736 k( 166) = ( 0.2322064 0.0000000 -0.2322064), wk = 0.0037736 k( 167) = ( 0.2394629 0.0000000 -0.2394629), wk = 0.0037736 k( 168) = ( 0.2467193 0.0000000 -0.2467193), wk = 0.0037736 k( 169) = ( 0.2539758 0.0000000 -0.2539758), wk = 0.0037736 k( 170) = ( 0.2612322 0.0000000 -0.2612322), wk = 0.0037736 k( 171) = ( 0.2684887 0.0000000 -0.2684887), wk = 0.0037736 k( 172) = ( 0.2757451 0.0000000 -0.2757451), wk = 0.0037736 k( 173) = ( 0.2830016 0.0000000 -0.2830016), wk = 0.0037736 k( 174) = ( 0.2902580 0.0000000 -0.2902580), wk = 0.0037736 k( 175) = ( 0.2975145 0.0000000 -0.2975145), wk = 0.0037736 k( 176) = ( 0.3047709 0.0000000 -0.3047709), wk = 0.0037736 k( 177) = ( 0.3120274 0.0000000 -0.3120274), wk = 0.0037736 k( 178) = ( 0.3192838 -0.0000000 -0.3192838), wk = 0.0037736 k( 179) = ( 0.3265403 0.0000000 -0.3265403), wk = 0.0037736 k( 180) = ( 0.3337967 0.0000000 -0.3337967), wk = 0.0037736 k( 181) = ( 0.3410532 0.0000000 -0.3410532), wk = 0.0037736 k( 182) = ( 0.6589468 0.3410532 0.0000000), wk = 0.0037736 k( 183) = ( 0.6517219 0.3482781 0.0000000), wk = 0.0037736 k( 184) = ( 0.6444971 0.3555029 0.0000000), wk = 0.0037736 k( 185) = ( 0.6372722 0.3627278 0.0000000), wk = 0.0037736 k( 186) = ( 0.6300474 0.3699526 0.0000000), wk = 0.0037736 k( 187) = ( 0.6228225 0.3771775 0.0000000), wk = 0.0037736 k( 188) = ( 0.6155977 0.3844023 0.0000000), wk = 0.0037736 k( 189) = ( 0.6083728 0.3916272 0.0000000), wk = 0.0037736 k( 190) = ( 0.6011480 0.3988520 0.0000000), wk = 0.0037736 k( 191) = ( 0.5939231 0.4060769 0.0000000), wk = 0.0037736 k( 192) = ( 0.5866983 0.4133017 0.0000000), wk = 0.0037736 k( 193) = ( 0.5794734 0.4205266 0.0000000), wk = 0.0037736 k( 194) = ( 0.5722485 0.4277514 0.0000000), wk = 0.0037736 k( 195) = ( 0.5650237 0.4349763 0.0000000), wk = 0.0037736 k( 196) = ( 0.5577988 0.4422012 0.0000000), wk = 0.0037736 k( 197) = ( 0.5505740 0.4494260 0.0000000), wk = 0.0037736 k( 198) = ( 0.5433491 0.4566509 -0.0000000), wk = 0.0037736 k( 199) = ( 0.5361243 0.4638757 0.0000000), wk = 0.0037736 k( 200) = ( 0.5288994 0.4711006 0.0000000), wk = 0.0037736 k( 201) = ( 0.5216746 0.4783254 0.0000000), wk = 0.0037736 k( 202) = ( 0.5144497 0.4855503 -0.0000000), wk = 0.0037736 k( 203) = ( 0.5072248 0.4927752 0.0000000), wk = 0.0037736 k( 204) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 205) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 206) = ( 0.5227067 0.5227067 0.0260152), wk = 0.0037736 k( 207) = ( 0.5454134 0.5454134 0.0520304), wk = 0.0037736 k( 208) = ( 0.5681201 0.5681201 0.0780456), wk = 0.0037736 k( 209) = ( 0.5908267 0.5908267 0.1040608), wk = 0.0037736 k( 210) = ( 0.6135334 0.6135334 0.1300760), wk = 0.0037736 k( 211) = ( 0.6362401 0.6362401 0.1560912), wk = 0.0037736 k( 212) = ( 0.6589468 0.6589468 0.1821064), wk = 0.0037736 k( 213) = ( 0.6589468 0.6589468 0.1821064), wk = 0.0037736 k( 214) = ( 0.6547640 0.6547640 0.1904720), wk = 0.0037736 k( 215) = ( 0.6505812 0.6505812 0.1988376), wk = 0.0037736 k( 216) = ( 0.6463984 0.6463984 0.2072032), wk = 0.0037736 k( 217) = ( 0.6422156 0.6422156 0.2155689), wk = 0.0037736 k( 218) = ( 0.6380328 0.6380328 0.2239345), wk = 0.0037736 k( 219) = ( 0.6338499 0.6338499 0.2323001), wk = 0.0037736 k( 220) = ( 0.6296671 0.6296671 0.2406657), wk = 0.0037736 k( 221) = ( 0.6254843 0.6254843 0.2490314), wk = 0.0037736 k( 222) = ( 0.6213015 0.6213015 0.2573970), wk = 0.0037736 k( 223) = ( 0.6171187 0.6171187 0.2657626), wk = 0.0037736 k( 224) = ( 0.6129359 0.6129359 0.2741282), wk = 0.0037736 k( 225) = ( 0.6087531 0.6087531 0.2824938), wk = 0.0037736 k( 226) = ( 0.6045703 0.6045703 0.2908595), wk = 0.0037736 k( 227) = ( 0.6003875 0.6003875 0.2992251), wk = 0.0037736 k( 228) = ( 0.5962047 0.5962047 0.3075907), wk = 0.0037736 k( 229) = ( 0.5920218 0.5920218 0.3159563), wk = 0.0037736 k( 230) = ( 0.5878390 0.5878390 0.3243220), wk = 0.0037736 k( 231) = ( 0.5836562 0.5836562 0.3326876), wk = 0.0037736 k( 232) = ( 0.5794734 0.5794734 0.3410532), wk = 0.0037736 k( 233) = ( 0.5752906 0.5752906 0.3494188), wk = 0.0037736 k( 234) = ( 0.5711078 0.5711078 0.3577844), wk = 0.0037736 k( 235) = ( 0.5669250 0.5669250 0.3661501), wk = 0.0037736 k( 236) = ( 0.5627422 0.5627422 0.3745157), wk = 0.0037736 k( 237) = ( 0.5585594 0.5585594 0.3828813), wk = 0.0037736 k( 238) = ( 0.5543765 0.5543765 0.3912469), wk = 0.0037736 k( 239) = ( 0.5501937 0.5501937 0.3996125), wk = 0.0037736 k( 240) = ( 0.5460109 0.5460109 0.4079782), wk = 0.0037736 k( 241) = ( 0.5418281 0.5418281 0.4163438), wk = 0.0037736 k( 242) = ( 0.5376453 0.5376453 0.4247094), wk = 0.0037736 k( 243) = ( 0.5334625 0.5334625 0.4330750), wk = 0.0037736 k( 244) = ( 0.5292797 0.5292797 0.4414406), wk = 0.0037736 k( 245) = ( 0.5250969 0.5250969 0.4498063), wk = 0.0037736 k( 246) = ( 0.5209141 0.5209141 0.4581719), wk = 0.0037736 k( 247) = ( 0.5167312 0.5167312 0.4665375), wk = 0.0037736 k( 248) = ( 0.5125484 0.5125484 0.4749031), wk = 0.0037736 k( 249) = ( 0.5083656 0.5083656 0.4832688), wk = 0.0037736 k( 250) = ( 0.5041828 0.5041828 0.4916344), wk = 0.0037736 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 252) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 253) = ( 0.5244534 0.0262349 0.0262349), wk = 0.0037736 k( 254) = ( 0.5489067 0.0524697 0.0524697), wk = 0.0037736 k( 255) = ( 0.5733601 0.0787046 0.0787046), wk = 0.0037736 k( 256) = ( 0.5978134 0.1049394 0.1049394), wk = 0.0037736 k( 257) = ( 0.6222668 0.1311743 0.1311743), wk = 0.0037736 k( 258) = ( 0.6467201 0.1574092 0.1574092), wk = 0.0037736 k( 259) = ( 0.6711735 0.1836440 0.1836440), wk = 0.0037736 k( 260) = ( 0.6956268 0.2098789 0.2098789), wk = 0.0037736 k( 261) = ( 0.7200802 0.2361138 0.2361138), wk = 0.0037736 k( 262) = ( 0.7445335 0.2623486 0.2623486), wk = 0.0037736 k( 263) = ( 0.7689869 0.2885835 0.2885835), wk = 0.0037736 k( 264) = ( 0.7934403 0.3148183 0.3148183), wk = 0.0037736 k( 265) = ( 0.8178936 0.3410532 0.3410532), wk = 0.0037736 Dense grid: 150131 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.86 Mb ( 1078, 52) NL pseudopotentials 1.31 Mb ( 539, 159) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.03 Mb ( 4171) G-vector shells 0.03 Mb ( 3466) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.42 Mb ( 1078, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.25 Mb ( 159, 2, 52) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./BaLi2xMgSix2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 11.1 secs Computing kpt #: 3 total cpu time spent up to now is 15.2 secs Computing kpt #: 4 total cpu time spent up to now is 19.2 secs Computing kpt #: 5 total cpu time spent up to now is 23.4 secs Computing kpt #: 6 total cpu time spent up to now is 26.9 secs Computing kpt #: 7 total cpu time spent up to now is 30.4 secs Computing kpt #: 8 total cpu time spent up to now is 34.5 secs Computing kpt #: 9 total cpu time spent up to now is 38.5 secs Computing kpt #: 10 total cpu time spent up to now is 42.6 secs Computing kpt #: 11 total cpu time spent up to now is 46.1 secs Computing kpt #: 12 total cpu time spent up to now is 49.5 secs Computing kpt #: 13 total cpu time spent up to now is 53.7 secs Computing kpt #: 14 total cpu time spent up to now is 57.1 secs Computing kpt #: 15 total cpu time spent up to now is 60.6 secs Computing kpt #: 16 total cpu time spent up to now is 64.0 secs Computing kpt #: 17 total cpu time spent up to now is 67.4 secs Computing kpt #: 18 total cpu time spent up to now is 70.8 secs Computing kpt #: 19 total cpu time spent up to now is 74.1 secs Computing kpt #: 20 total cpu time spent up to now is 77.5 secs Computing kpt #: 21 total cpu time spent up to now is 80.9 secs Computing kpt #: 22 total cpu time spent up to now is 84.2 secs Computing kpt #: 23 total cpu time spent up to now is 87.5 secs Computing kpt #: 24 total cpu time spent up to now is 90.8 secs Computing kpt #: 25 total cpu time spent up to now is 94.0 secs Computing kpt #: 26 total cpu time spent up to now is 97.3 secs Computing kpt #: 27 total cpu time spent up to now is 100.5 secs Computing kpt #: 28 total cpu time spent up to now is 103.8 secs Computing kpt #: 29 total cpu time spent up to now is 107.0 secs Computing kpt #: 30 total cpu time spent up to now is 110.3 secs Computing kpt #: 31 total cpu time spent up to now is 113.6 secs Computing kpt #: 32 total cpu time spent up to now is 116.9 secs Computing kpt #: 33 total cpu time spent up to now is 120.2 secs Computing kpt #: 34 total cpu time spent up to now is 123.4 secs Computing kpt #: 35 total cpu time spent up to now is 126.7 secs Computing kpt #: 36 total cpu time spent up to now is 130.0 secs Computing kpt #: 37 total cpu time spent up to now is 133.2 secs Computing kpt #: 38 total cpu time spent up to now is 136.4 secs Computing kpt #: 39 total cpu time spent up to now is 139.7 secs Computing kpt #: 40 total cpu time spent up to now is 142.8 secs Computing kpt #: 41 total cpu time spent up to now is 146.0 secs Computing kpt #: 42 total cpu time spent up to now is 149.1 secs Computing kpt #: 43 total cpu time spent up to now is 152.3 secs Computing kpt #: 44 total cpu time spent up to now is 155.5 secs Computing kpt #: 45 total cpu time spent up to now is 158.7 secs Computing kpt #: 46 total cpu time spent up to now is 162.0 secs Computing kpt #: 47 total cpu time spent up to now is 165.2 secs Computing kpt #: 48 total cpu time spent up to now is 168.4 secs Computing kpt #: 49 total cpu time spent up to now is 171.6 secs Computing kpt #: 50 total cpu time spent up to now is 174.9 secs Computing kpt #: 51 total cpu time spent up to now is 178.1 secs Computing kpt #: 52 total cpu time spent up to now is 181.4 secs Computing kpt #: 53 total cpu time spent up to now is 184.6 secs Computing kpt #: 54 total cpu time spent up to now is 188.0 secs Computing kpt #: 55 total cpu time spent up to now is 191.3 secs Computing kpt #: 56 total cpu time spent up to now is 194.6 secs Computing kpt #: 57 total cpu time spent up to now is 198.0 secs Computing kpt #: 58 total cpu time spent up to now is 201.3 secs Computing kpt #: 59 total cpu time spent up to now is 204.7 secs Computing kpt #: 60 total cpu time spent up to now is 208.0 secs Computing kpt #: 61 total cpu time spent up to now is 211.3 secs Computing kpt #: 62 total cpu time spent up to now is 214.6 secs Computing kpt #: 63 total cpu time spent up to now is 217.9 secs Computing kpt #: 64 total cpu time spent up to now is 221.1 secs Computing kpt #: 65 total cpu time spent up to now is 224.3 secs Computing kpt #: 66 total cpu time spent up to now is 227.6 secs Computing kpt #: 67 total cpu time spent up to now is 230.8 secs Computing kpt #: 68 total cpu time spent up to now is 234.1 secs Computing kpt #: 69 total cpu time spent up to now is 237.9 secs Computing kpt #: 70 total cpu time spent up to now is 241.2 secs Computing kpt #: 71 total cpu time spent up to now is 244.5 secs Computing kpt #: 72 total cpu time spent up to now is 247.8 secs Computing kpt #: 73 total cpu time spent up to now is 251.1 secs Computing kpt #: 74 total cpu time spent up to now is 254.3 secs Computing kpt #: 75 total cpu time spent up to now is 257.6 secs Computing kpt #: 76 total cpu time spent up to now is 260.8 secs Computing kpt #: 77 total cpu time spent up to now is 264.0 secs Computing kpt #: 78 total cpu time spent up to now is 267.3 secs Computing kpt #: 79 total cpu time spent up to now is 270.4 secs Computing kpt #: 80 total cpu time spent up to now is 273.6 secs Computing kpt #: 81 total cpu time spent up to now is 276.8 secs Computing kpt #: 82 total cpu time spent up to now is 280.0 secs Computing kpt #: 83 total cpu time spent up to now is 283.2 secs Computing kpt #: 84 total cpu time spent up to now is 286.4 secs Computing kpt #: 85 total cpu time spent up to now is 289.7 secs Computing kpt #: 86 total cpu time spent up to now is 293.1 secs Computing kpt #: 87 total cpu time spent up to now is 296.4 secs Computing kpt #: 88 total cpu time spent up to now is 299.7 secs Computing kpt #: 89 total cpu time spent up to now is 303.0 secs Computing kpt #: 90 total cpu time spent up to now is 306.4 secs Computing kpt #: 91 total cpu time spent up to now is 309.7 secs Computing kpt #: 92 total cpu time spent up to now is 313.1 secs Computing kpt #: 93 total cpu time spent up to now is 316.6 secs Computing kpt #: 94 total cpu time spent up to now is 319.9 secs Computing kpt #: 95 total cpu time spent up to now is 323.3 secs Computing kpt #: 96 total cpu time spent up to now is 326.8 secs Computing kpt #: 97 total cpu time spent up to now is 330.2 secs Computing kpt #: 98 total cpu time spent up to now is 333.6 secs Computing kpt #: 99 total cpu time spent up to now is 337.7 secs Computing kpt #: 100 total cpu time spent up to now is 341.8 secs Computing kpt #: 101 total cpu time spent up to now is 346.1 secs Computing kpt #: 102 total cpu time spent up to now is 350.4 secs Computing kpt #: 103 total cpu time spent up to now is 354.6 secs Computing kpt #: 104 total cpu time spent up to now is 358.7 secs Computing kpt #: 105 total cpu time spent up to now is 362.9 secs Computing kpt #: 106 total cpu time spent up to now is 367.1 secs Computing kpt #: 107 total cpu time spent up to now is 371.4 secs Computing kpt #: 108 total cpu time spent up to now is 375.8 secs Computing kpt #: 109 total cpu time spent up to now is 380.2 secs Computing kpt #: 110 total cpu time spent up to now is 385.4 secs Computing kpt #: 111 total cpu time spent up to now is 391.5 secs Computing kpt #: 112 total cpu time spent up to now is 395.7 secs Computing kpt #: 113 total cpu time spent up to now is 399.8 secs Computing kpt #: 114 total cpu time spent up to now is 403.9 secs Computing kpt #: 115 total cpu time spent up to now is 408.2 secs Computing kpt #: 116 total cpu time spent up to now is 414.3 secs Computing kpt #: 117 total cpu time spent up to now is 419.5 secs Computing kpt #: 118 total cpu time spent up to now is 424.7 secs Computing kpt #: 119 total cpu time spent up to now is 429.9 secs Computing kpt #: 120 total cpu time spent up to now is 435.0 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.3 secs Computing kpt #: 122 total cpu time spent up to now is 447.5 secs Computing kpt #: 123 total cpu time spent up to now is 451.6 secs Computing kpt #: 124 total cpu time spent up to now is 455.7 secs Computing kpt #: 125 total cpu time spent up to now is 459.7 secs Computing kpt #: 126 total cpu time spent up to now is 463.2 secs Computing kpt #: 127 total cpu time spent up to now is 467.2 secs Computing kpt #: 128 total cpu time spent up to now is 471.4 secs Computing kpt #: 129 total cpu time spent up to now is 475.5 secs Computing kpt #: 130 total cpu time spent up to now is 479.0 secs Computing kpt #: 131 total cpu time spent up to now is 483.1 secs Computing kpt #: 132 total cpu time spent up to now is 486.6 secs Computing kpt #: 133 total cpu time spent up to now is 490.1 secs Computing kpt #: 134 total cpu time spent up to now is 493.6 secs Computing kpt #: 135 total cpu time spent up to now is 497.1 secs Computing kpt #: 136 total cpu time spent up to now is 500.6 secs Computing kpt #: 137 total cpu time spent up to now is 504.7 secs Computing kpt #: 138 total cpu time spent up to now is 508.8 secs Computing kpt #: 139 total cpu time spent up to now is 513.0 secs Computing kpt #: 140 total cpu time spent up to now is 517.3 secs Computing kpt #: 141 total cpu time spent up to now is 521.5 secs Computing kpt #: 142 total cpu time spent up to now is 525.7 secs Computing kpt #: 143 total cpu time spent up to now is 529.1 secs Computing kpt #: 144 total cpu time spent up to now is 532.6 secs Computing kpt #: 145 total cpu time spent up to now is 536.3 secs Computing kpt #: 146 total cpu time spent up to now is 541.0 secs Computing kpt #: 147 total cpu time spent up to now is 545.1 secs Computing kpt #: 148 total cpu time spent up to now is 549.3 secs Computing kpt #: 149 total cpu time spent up to now is 553.5 secs Computing kpt #: 150 total cpu time spent up to now is 557.6 secs Computing kpt #: 151 total cpu time spent up to now is 561.7 secs Computing kpt #: 152 total cpu time spent up to now is 565.9 secs Computing kpt #: 153 total cpu time spent up to now is 569.9 secs Computing kpt #: 154 total cpu time spent up to now is 573.3 secs Computing kpt #: 155 total cpu time spent up to now is 576.8 secs Computing kpt #: 156 total cpu time spent up to now is 580.2 secs Computing kpt #: 157 total cpu time spent up to now is 583.7 secs Computing kpt #: 158 total cpu time spent up to now is 587.1 secs Computing kpt #: 159 total cpu time spent up to now is 590.6 secs Computing kpt #: 160 total cpu time spent up to now is 594.0 secs Computing kpt #: 161 total cpu time spent up to now is 597.5 secs Computing kpt #: 162 total cpu time spent up to now is 600.9 secs Computing kpt #: 163 total cpu time spent up to now is 604.3 secs Computing kpt #: 164 total cpu time spent up to now is 608.3 secs Computing kpt #: 165 total cpu time spent up to now is 612.2 secs Computing kpt #: 166 total cpu time spent up to now is 616.2 secs Computing kpt #: 167 total cpu time spent up to now is 620.2 secs Computing kpt #: 168 total cpu time spent up to now is 624.1 secs Computing kpt #: 169 total cpu time spent up to now is 628.1 secs Computing kpt #: 170 total cpu time spent up to now is 632.0 secs Computing kpt #: 171 total cpu time spent up to now is 636.0 secs Computing kpt #: 172 total cpu time spent up to now is 639.9 secs Computing kpt #: 173 total cpu time spent up to now is 643.8 secs Computing kpt #: 174 total cpu time spent up to now is 647.2 secs Computing kpt #: 175 total cpu time spent up to now is 651.1 secs Computing kpt #: 176 total cpu time spent up to now is 655.0 secs Computing kpt #: 177 total cpu time spent up to now is 658.3 secs Computing kpt #: 178 total cpu time spent up to now is 661.6 secs Computing kpt #: 179 total cpu time spent up to now is 664.9 secs Computing kpt #: 180 total cpu time spent up to now is 668.2 secs Computing kpt #: 181 total cpu time spent up to now is 672.0 secs Computing kpt #: 182 total cpu time spent up to now is 675.9 secs Computing kpt #: 183 total cpu time spent up to now is 679.2 secs Computing kpt #: 184 total cpu time spent up to now is 682.5 secs Computing kpt #: 185 total cpu time spent up to now is 685.7 secs Computing kpt #: 186 total cpu time spent up to now is 689.0 secs Computing kpt #: 187 total cpu time spent up to now is 692.3 secs Computing kpt #: 188 total cpu time spent up to now is 695.5 secs Computing kpt #: 189 total cpu time spent up to now is 698.8 secs Computing kpt #: 190 total cpu time spent up to now is 702.1 secs Computing kpt #: 191 total cpu time spent up to now is 705.3 secs Computing kpt #: 192 total cpu time spent up to now is 708.5 secs Computing kpt #: 193 total cpu time spent up to now is 711.8 secs Computing kpt #: 194 total cpu time spent up to now is 715.0 secs Computing kpt #: 195 total cpu time spent up to now is 718.3 secs Computing kpt #: 196 total cpu time spent up to now is 721.5 secs Computing kpt #: 197 total cpu time spent up to now is 724.7 secs Computing kpt #: 198 total cpu time spent up to now is 727.9 secs Computing kpt #: 199 total cpu time spent up to now is 731.2 secs Computing kpt #: 200 total cpu time spent up to now is 735.1 secs Computing kpt #: 201 total cpu time spent up to now is 738.9 secs Computing kpt #: 202 total cpu time spent up to now is 742.8 secs Computing kpt #: 203 total cpu time spent up to now is 746.6 secs Computing kpt #: 204 total cpu time spent up to now is 750.5 secs Computing kpt #: 205 total cpu time spent up to now is 753.8 secs Computing kpt #: 206 total cpu time spent up to now is 757.6 secs Computing kpt #: 207 total cpu time spent up to now is 760.9 secs Computing kpt #: 208 total cpu time spent up to now is 764.1 secs Computing kpt #: 209 total cpu time spent up to now is 767.3 secs Computing kpt #: 210 total cpu time spent up to now is 770.5 secs Computing kpt #: 211 total cpu time spent up to now is 773.6 secs Computing kpt #: 212 total cpu time spent up to now is 776.8 secs Computing kpt #: 213 total cpu time spent up to now is 780.0 secs Computing kpt #: 214 total cpu time spent up to now is 783.1 secs Computing kpt #: 215 total cpu time spent up to now is 786.3 secs Computing kpt #: 216 total cpu time spent up to now is 789.4 secs Computing kpt #: 217 total cpu time spent up to now is 792.6 secs Computing kpt #: 218 total cpu time spent up to now is 795.7 secs Computing kpt #: 219 total cpu time spent up to now is 798.9 secs Computing kpt #: 220 total cpu time spent up to now is 802.0 secs Computing kpt #: 221 total cpu time spent up to now is 805.2 secs Computing kpt #: 222 total cpu time spent up to now is 808.4 secs Computing kpt #: 223 total cpu time spent up to now is 811.6 secs Computing kpt #: 224 total cpu time spent up to now is 814.8 secs Computing kpt #: 225 total cpu time spent up to now is 818.0 secs Computing kpt #: 226 total cpu time spent up to now is 821.3 secs Computing kpt #: 227 total cpu time spent up to now is 824.5 secs Computing kpt #: 228 total cpu time spent up to now is 827.9 secs Computing kpt #: 229 total cpu time spent up to now is 831.7 secs Computing kpt #: 230 total cpu time spent up to now is 835.7 secs Computing kpt #: 231 total cpu time spent up to now is 839.6 secs Computing kpt #: 232 total cpu time spent up to now is 843.0 secs Computing kpt #: 233 total cpu time spent up to now is 846.4 secs Computing kpt #: 234 total cpu time spent up to now is 849.8 secs Computing kpt #: 235 total cpu time spent up to now is 853.3 secs Computing kpt #: 236 total cpu time spent up to now is 856.7 secs Computing kpt #: 237 total cpu time spent up to now is 860.2 secs Computing kpt #: 238 total cpu time spent up to now is 864.2 secs Computing kpt #: 239 total cpu time spent up to now is 868.3 secs Computing kpt #: 240 total cpu time spent up to now is 872.4 secs Computing kpt #: 241 total cpu time spent up to now is 876.6 secs Computing kpt #: 242 total cpu time spent up to now is 880.7 secs Computing kpt #: 243 total cpu time spent up to now is 884.9 secs Computing kpt #: 244 total cpu time spent up to now is 889.1 secs Computing kpt #: 245 total cpu time spent up to now is 893.4 secs Computing kpt #: 246 total cpu time spent up to now is 897.7 secs Computing kpt #: 247 total cpu time spent up to now is 902.8 secs Computing kpt #: 248 total cpu time spent up to now is 907.8 secs Computing kpt #: 249 total cpu time spent up to now is 914.0 secs Computing kpt #: 250 total cpu time spent up to now is 918.2 secs Computing kpt #: 251 total cpu time spent up to now is 922.4 secs Computing kpt #: 252 total cpu time spent up to now is 925.6 secs Computing kpt #: 253 total cpu time spent up to now is 928.7 secs Computing kpt #: 254 total cpu time spent up to now is 932.0 secs Computing kpt #: 255 total cpu time spent up to now is 935.1 secs Computing kpt #: 256 total cpu time spent up to now is 938.3 secs Computing kpt #: 257 total cpu time spent up to now is 941.5 secs Computing kpt #: 258 total cpu time spent up to now is 944.7 secs Computing kpt #: 259 total cpu time spent up to now is 947.8 secs Computing kpt #: 260 total cpu time spent up to now is 950.9 secs Computing kpt #: 261 total cpu time spent up to now is 954.1 secs Computing kpt #: 262 total cpu time spent up to now is 957.3 secs Computing kpt #: 263 total cpu time spent up to now is 960.5 secs Computing kpt #: 264 total cpu time spent up to now is 963.6 secs Computing kpt #: 265 total cpu time spent up to now is 966.8 secs ethr = 2.27E-08, avg # of iterations = 21.6 total cpu time spent up to now is 966.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18701 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7854 -6.7854 -6.6075 -6.6075 -2.2557 -2.2557 -1.0352 -1.0352 2.1854 2.1854 5.3675 5.3675 5.3802 5.3802 5.6623 5.6623 5.9883 5.9883 6.0094 6.0094 6.3200 6.3200 7.6327 7.6327 7.6515 7.6515 7.8468 7.8468 k = 0.0122-0.0218-0.0132 ( 18693 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1010 -22.1010 -8.7191 -8.7191 -6.7854 -6.7854 -6.6079 -6.6079 -2.2546 -2.2546 -1.0349 -1.0349 2.1871 2.1871 5.3608 5.3608 5.3749 5.3749 5.6607 5.6607 5.9811 5.9811 6.0034 6.0034 6.3223 6.3223 7.6337 7.6337 7.6546 7.6546 7.8511 7.8511 k = 0.0244-0.0436-0.0263 ( 18673 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1009 -22.1009 -8.7194 -8.7194 -6.7855 -6.7855 -6.6090 -6.6090 -2.2513 -2.2513 -1.0341 -1.0341 2.1920 2.1920 5.3365 5.3365 5.3639 5.3639 5.6558 5.6558 5.9552 5.9552 5.9908 5.9908 6.3289 6.3289 7.6290 7.6290 7.6702 7.6702 7.8656 7.8656 k = 0.0366-0.0654-0.0395 ( 18673 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1008 -22.1008 -8.7200 -8.7200 -6.7857 -6.7857 -6.6108 -6.6108 -2.2459 -2.2459 -1.0328 -1.0328 2.2002 2.2002 5.2942 5.2942 5.3489 5.3489 5.6474 5.6474 5.9096 5.9096 5.9754 5.9754 6.3390 6.3390 7.6151 7.6151 7.7002 7.7002 7.8907 7.8907 k = 0.0488-0.0872-0.0527 ( 18686 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5516 -36.5516 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1006 -22.1006 -8.7208 -8.7208 -6.7859 -6.7859 -6.6133 -6.6133 -2.2383 -2.2383 -1.0310 -1.0310 2.2116 2.2116 5.2371 5.2371 5.3291 5.3291 5.6352 5.6352 5.8484 5.8484 5.9566 5.9566 6.3521 6.3521 7.5940 7.5940 7.7420 7.7420 7.9208 7.9208 k = 0.0610-0.1091-0.0658 ( 18694 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.1003 -22.1003 -8.7217 -8.7217 -6.7862 -6.7862 -6.6164 -6.6164 -2.2285 -2.2285 -1.0287 -1.0287 2.2261 2.2261 5.1678 5.1678 5.3044 5.3044 5.6180 5.6180 5.7762 5.7762 5.9345 5.9345 6.3676 6.3676 7.5675 7.5675 7.7938 7.7938 7.9476 7.9476 k = 0.0732-0.1309-0.0790 ( 18701 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.1000 -22.1000 -8.7229 -8.7229 -6.7867 -6.7867 -6.6202 -6.6202 -2.2167 -2.2167 -1.0258 -1.0258 2.2436 2.2436 5.0886 5.0886 5.2752 5.2752 5.5918 5.5918 5.6998 5.6998 5.9097 5.9097 6.3852 6.3852 7.5372 7.5372 7.8542 7.8542 7.9658 7.9658 k = 0.0854-0.1527-0.0921 ( 18710 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0996 -22.0996 -8.7243 -8.7243 -6.7872 -6.7872 -6.6246 -6.6246 -2.2028 -2.2028 -1.0224 -1.0224 2.2641 2.2641 5.0016 5.0016 5.2417 5.2417 5.5423 5.5423 5.6358 5.6358 5.8828 5.8828 6.4045 6.4045 7.5043 7.5043 7.9215 7.9215 7.9739 7.9739 k = 0.0976-0.1745-0.1053 ( 18722 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0991 -22.0991 -8.7259 -8.7259 -6.7878 -6.7878 -6.6295 -6.6295 -2.1868 -2.1868 -1.0184 -1.0184 2.2873 2.2873 4.9087 4.9087 5.2047 5.2047 5.4593 5.4593 5.5965 5.5965 5.8543 5.8543 6.4252 6.4252 7.4699 7.4699 7.9720 7.9720 7.9948 7.9948 k = 0.1098-0.1963-0.1185 ( 18726 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8279 -36.8279 -36.5516 -36.5516 -36.5466 -36.5466 -36.5409 -36.5409 -36.5382 -36.5382 -22.0986 -22.0986 -8.7277 -8.7277 -6.7885 -6.7885 -6.6349 -6.6349 -2.1689 -2.1689 -1.0139 -1.0139 2.3131 2.3131 4.8114 4.8114 5.1646 5.1646 5.3588 5.3588 5.5679 5.5679 5.8248 5.8248 6.4467 6.4467 7.4350 7.4350 7.9632 7.9632 8.0709 8.0709 k = 0.1220-0.2181-0.1316 ( 18741 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8280 -36.8280 -36.5515 -36.5515 -36.5466 -36.5466 -36.5408 -36.5408 -36.5382 -36.5382 -22.0981 -22.0981 -8.7296 -8.7296 -6.7894 -6.7894 -6.6407 -6.6407 -2.1490 -2.1490 -1.0089 -1.0089 2.3414 2.3414 4.7111 4.7111 5.1219 5.1219 5.2507 5.2507 5.5414 5.5414 5.7945 5.7945 6.4683 6.4683 7.4007 7.4007 7.9486 7.9486 8.1492 8.1492 k = 0.1341-0.2399-0.1448 ( 18730 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8281 -36.8281 -36.5515 -36.5515 -36.5466 -36.5466 -36.5408 -36.5408 -36.5382 -36.5382 -22.0975 -22.0975 -8.7318 -8.7318 -6.7905 -6.7905 -6.6468 -6.6468 -2.1273 -2.1273 -1.0033 -1.0033 2.3718 2.3718 4.6088 4.6088 5.0772 5.0772 5.1386 5.1386 5.5150 5.5150 5.7637 5.7637 6.4892 6.4892 7.3681 7.3681 7.9304 7.9304 8.2275 8.2275 k = 0.1463-0.2617-0.1580 ( 18739 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8281 -36.8281 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0969 -22.0969 -8.7341 -8.7341 -6.7918 -6.7918 -6.6532 -6.6532 -2.1037 -2.1037 -0.9972 -0.9972 2.4040 2.4040 4.5056 4.5056 5.0232 5.0232 5.0321 5.0321 5.4881 5.4881 5.7327 5.7327 6.5086 6.5086 7.3381 7.3381 7.9104 7.9104 8.3037 8.3037 k = 0.1585-0.2835-0.1711 ( 18748 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8282 -36.8282 -36.5514 -36.5514 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0962 -22.0962 -8.7366 -8.7366 -6.7933 -6.7933 -6.6597 -6.6597 -2.0784 -2.0784 -0.9906 -0.9906 2.4379 2.4379 4.4023 4.4023 4.9085 4.9085 4.9842 4.9842 5.4607 5.4607 5.7016 5.7016 6.5253 6.5253 7.3118 7.3118 7.8900 7.8900 8.3761 8.3761 k = 0.1707-0.3053-0.1843 ( 18757 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8364 -36.8364 -36.8283 -36.8283 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0955 -22.0955 -8.7392 -8.7392 -6.7950 -6.7950 -6.6662 -6.6662 -2.0514 -2.0514 -0.9834 -0.9834 2.4729 2.4729 4.2993 4.2993 4.7929 4.7929 4.9365 4.9365 5.4327 5.4327 5.6705 5.6705 6.5386 6.5386 7.2900 7.2900 7.8705 7.8705 8.4426 8.4426 k = 0.1829-0.3272-0.1974 ( 18757 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8363 -36.8363 -36.8284 -36.8284 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0948 -22.0948 -8.7419 -8.7419 -6.7971 -6.7971 -6.6727 -6.6727 -2.0229 -2.0229 -0.9757 -0.9757 2.5088 2.5088 4.1974 4.1974 4.6780 4.6780 4.8887 4.8887 5.4044 5.4044 5.6396 5.6396 6.5474 6.5474 7.2732 7.2732 7.8533 7.8533 8.4975 8.4975 k = 0.1951-0.3490-0.2106 ( 18755 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8363 -36.8363 -36.8285 -36.8285 -36.5513 -36.5513 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0940 -22.0940 -8.7447 -8.7447 -6.7996 -6.7996 -6.6791 -6.6791 -1.9928 -1.9928 -0.9676 -0.9676 2.5448 2.5448 4.0970 4.0970 4.5646 4.5646 4.8411 4.8411 5.3759 5.3759 5.6090 5.6090 6.5512 6.5512 7.2613 7.2613 7.8394 7.8394 8.5200 8.5200 k = 0.2073-0.3708-0.2238 ( 18752 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8362 -36.8362 -36.8286 -36.8286 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0933 -22.0933 -8.7477 -8.7477 -6.8024 -6.8024 -6.6852 -6.6852 -1.9614 -1.9614 -0.9589 -0.9589 2.5805 2.5805 3.9984 3.9984 4.4538 4.4538 4.7940 4.7940 5.3473 5.3473 5.5787 5.5787 6.5499 6.5499 7.2538 7.2538 7.8303 7.8303 8.5257 8.5257 k = 0.2195-0.3926-0.2369 ( 18754 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8361 -36.8361 -36.8287 -36.8287 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0925 -22.0925 -8.7507 -8.7507 -6.8057 -6.8057 -6.6910 -6.6910 -1.9288 -1.9288 -0.9498 -0.9498 2.6152 2.6152 3.9020 3.9020 4.3463 4.3463 4.7476 4.7476 5.3188 5.3188 5.5489 5.5489 6.5436 6.5436 7.2493 7.2493 7.8271 7.8271 8.5261 8.5261 k = 0.2317-0.4144-0.2501 ( 18763 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8360 -36.8360 -36.8288 -36.8288 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0917 -22.0917 -8.7538 -8.7538 -6.8094 -6.8094 -6.6964 -6.6964 -1.8950 -1.8950 -0.9402 -0.9402 2.6478 2.6478 3.8080 3.8080 4.2433 4.2433 4.7022 4.7022 5.2906 5.2906 5.5197 5.5197 6.5331 6.5331 7.2463 7.2463 7.8310 7.8310 8.5221 8.5221 k = 0.2439-0.4362-0.2633 ( 18761 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8359 -36.8359 -36.8289 -36.8289 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0909 -22.0909 -8.7570 -8.7570 -6.8136 -6.8136 -6.7013 -6.7013 -1.8602 -1.8602 -0.9303 -0.9303 2.6775 2.6775 3.7164 3.7164 4.1461 4.1461 4.6580 4.6580 5.2630 5.2630 5.4912 5.4912 6.5190 6.5190 7.2430 7.2430 7.8427 7.8427 8.5142 8.5142 k = 0.2561-0.4580-0.2764 ( 18775 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8358 -36.8358 -36.8290 -36.8290 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0900 -22.0900 -8.7602 -8.7602 -6.8182 -6.8182 -6.7056 -6.7056 -1.8245 -1.8245 -0.9200 -0.9200 2.7031 2.7031 3.6272 3.6272 4.0563 4.0563 4.6151 4.6151 5.2360 5.2360 5.4634 5.4634 6.5025 6.5025 7.2382 7.2382 7.8624 7.8624 8.5026 8.5026 k = 0.2683-0.4798-0.2896 ( 18779 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8357 -36.8357 -36.8291 -36.8291 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0892 -22.0892 -8.7634 -8.7634 -6.8232 -6.8232 -6.7095 -6.7095 -1.7881 -1.7881 -0.9094 -0.9094 2.7232 2.7232 3.5401 3.5401 3.9756 3.9756 4.5737 4.5737 5.2099 5.2099 5.4365 5.4365 6.4842 6.4842 7.2310 7.2310 7.8897 7.8897 8.4878 8.4878 k = 0.2805-0.5016-0.3027 ( 18778 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8356 -36.8356 -36.8293 -36.8293 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0884 -22.0884 -8.7666 -8.7666 -6.8286 -6.8286 -6.7128 -6.7128 -1.7512 -1.7512 -0.8985 -0.8985 2.7366 2.7366 3.4549 3.4549 3.9058 3.9058 4.5339 4.5339 5.1848 5.1848 5.4105 5.4105 6.4650 6.4650 7.2212 7.2212 7.9233 7.9233 8.4706 8.4706 k = 0.2927-0.5234-0.3159 ( 18785 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8355 -36.8355 -36.8294 -36.8294 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0876 -22.0876 -8.7697 -8.7697 -6.8342 -6.8342 -6.7157 -6.7157 -1.7140 -1.7140 -0.8875 -0.8875 2.7422 2.7422 3.3711 3.3711 3.8485 3.8485 4.4958 4.4958 5.1611 5.1611 5.3855 5.3855 6.4454 6.4454 7.2088 7.2088 7.9616 7.9616 8.4520 8.4520 k = 0.3049-0.5453-0.3291 ( 18778 PWs) bands (ev): -69.8790 -69.8790 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8354 -36.8354 -36.8295 -36.8295 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0868 -22.0868 -8.7729 -8.7729 -6.8400 -6.8400 -6.7181 -6.7181 -1.6767 -1.6767 -0.8764 -0.8764 2.7395 2.7395 3.2885 3.2885 3.8047 3.8047 4.4595 4.4595 5.1387 5.1387 5.3617 5.3617 6.4261 6.4261 7.1944 7.1944 8.0021 8.0021 8.4335 8.4335 k = 0.3171-0.5671-0.3422 ( 18779 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8353 -36.8353 -36.8296 -36.8296 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0861 -22.0861 -8.7759 -8.7759 -6.8459 -6.8459 -6.7201 -6.7201 -1.6394 -1.6394 -0.8652 -0.8652 2.7284 2.7284 3.2070 3.2070 3.7747 3.7747 4.4251 4.4251 5.1179 5.1179 5.3390 5.3390 6.4072 6.4072 7.1785 7.1785 8.0419 8.0419 8.4168 8.4168 k = 0.3293-0.5889-0.3554 ( 18774 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8352 -36.8352 -36.8297 -36.8297 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0853 -22.0853 -8.7789 -8.7789 -6.8518 -6.8518 -6.7217 -6.7217 -1.6025 -1.6025 -0.8541 -0.8541 2.7098 2.7098 3.1270 3.1270 3.7574 3.7574 4.3927 4.3927 5.0988 5.0988 5.3175 5.3175 6.3892 6.3892 7.1617 7.1617 8.0776 8.0776 8.4037 8.4037 k = 0.3415-0.6107-0.3686 ( 18782 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8350 -36.8350 -36.8299 -36.8299 -36.5509 -36.5509 -36.5472 -36.5472 -36.5409 -36.5409 -36.5382 -36.5382 -22.0846 -22.0846 -8.7818 -8.7818 -6.8577 -6.8577 -6.7230 -6.7230 -1.5662 -1.5662 -0.8431 -0.8431 2.6850 2.6850 3.0489 3.0489 3.7511 3.7511 4.3623 4.3623 5.0816 5.0816 5.2973 5.2973 6.3722 6.3722 7.1443 7.1443 8.1059 8.1059 8.3959 8.3959 k = 0.3537-0.6325-0.3817 ( 18775 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8349 -36.8349 -36.8300 -36.8300 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0840 -22.0840 -8.7845 -8.7845 -6.8634 -6.8634 -6.7241 -6.7241 -1.5308 -1.5308 -0.8323 -0.8323 2.6557 2.6557 2.9733 2.9733 3.7536 3.7536 4.3340 4.3340 5.0663 5.0663 5.2784 5.2784 6.3564 6.3564 7.1270 7.1270 8.1243 8.1243 8.3939 8.3939 k = 0.3659-0.6543-0.3949 ( 18776 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8348 -36.8348 -36.8301 -36.8301 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0833 -22.0833 -8.7872 -8.7872 -6.8689 -6.8689 -6.7249 -6.7249 -1.4965 -1.4965 -0.8219 -0.8219 2.6236 2.6236 2.9008 2.9008 3.7628 3.7628 4.3078 4.3078 5.0529 5.0529 5.2610 5.2610 6.3418 6.3418 7.1099 7.1099 8.1326 8.1326 8.3958 8.3958 k = 0.3780-0.6761-0.4080 ( 18777 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8347 -36.8347 -36.8302 -36.8302 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0828 -22.0828 -8.7896 -8.7896 -6.8741 -6.8741 -6.7256 -6.7256 -1.4637 -1.4637 -0.8119 -0.8119 2.5904 2.5904 2.8321 2.8321 3.7764 3.7764 4.2837 4.2837 5.0416 5.0416 5.2449 5.2449 6.3286 6.3286 7.0935 7.0935 8.1331 8.1331 8.3975 8.3975 k = 0.3902-0.6979-0.4212 ( 18780 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8346 -36.8346 -36.8304 -36.8304 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0822 -22.0822 -8.7919 -8.7919 -6.8789 -6.8789 -6.7261 -6.7261 -1.4327 -1.4327 -0.8024 -0.8024 2.5574 2.5574 2.7679 2.7679 3.7927 3.7927 4.2619 4.2619 5.0322 5.0322 5.2303 5.2303 6.3167 6.3167 7.0780 7.0780 8.1289 8.1289 8.3949 8.3949 k = 0.4024-0.7197-0.4344 ( 18782 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8345 -36.8345 -36.8305 -36.8305 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0817 -22.0817 -8.7940 -8.7940 -6.8834 -6.8834 -6.7265 -6.7265 -1.4038 -1.4038 -0.7936 -0.7936 2.5256 2.5256 2.7087 2.7087 3.8102 3.8102 4.2423 4.2423 5.0247 5.0247 5.2173 5.2173 6.3061 6.3061 7.0637 7.0637 8.1226 8.1226 8.3857 8.3857 k = 0.4146-0.7416-0.4475 ( 18781 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8344 -36.8344 -36.8306 -36.8306 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0813 -22.0813 -8.7958 -8.7958 -6.8874 -6.8874 -6.7268 -6.7268 -1.3773 -1.3773 -0.7855 -0.7855 2.4960 2.4960 2.6550 2.6550 3.8278 3.8278 4.2249 4.2249 5.0188 5.0188 5.2057 5.2057 6.2969 6.2969 7.0507 7.0507 8.1163 8.1163 8.3694 8.3694 k = 0.4268-0.7634-0.4607 ( 18773 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8343 -36.8343 -36.8307 -36.8307 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0809 -22.0809 -8.7975 -8.7975 -6.8909 -6.8909 -6.7270 -6.7270 -1.3536 -1.3536 -0.7783 -0.7783 2.4692 2.4692 2.6074 2.6074 3.8444 3.8444 4.2098 4.2098 5.0145 5.0145 5.1957 5.1957 6.2889 6.2889 7.0391 7.0391 8.1112 8.1112 8.3474 8.3474 k = 0.4390-0.7852-0.4739 ( 18773 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8342 -36.8342 -36.8308 -36.8308 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0805 -22.0805 -8.7989 -8.7989 -6.8940 -6.8940 -6.7272 -6.7272 -1.3329 -1.3329 -0.7720 -0.7720 2.4459 2.4459 2.5662 2.5662 3.8594 3.8594 4.1970 4.1970 5.0115 5.0115 5.1872 5.1872 6.2823 6.2823 7.0292 7.0292 8.1081 8.1081 8.3218 8.3218 k = 0.4512-0.8070-0.4870 ( 18776 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8342 -36.8342 -36.8308 -36.8308 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0803 -22.0803 -8.8001 -8.8001 -6.8965 -6.8965 -6.7273 -6.7273 -1.3155 -1.3155 -0.7667 -0.7667 2.4263 2.4263 2.5319 2.5319 3.8723 3.8723 4.1865 4.1865 5.0094 5.0094 5.1803 5.1803 6.2769 6.2769 7.0209 7.0209 8.1074 8.1074 8.2951 8.2951 k = 0.4634-0.8288-0.5002 ( 18774 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5381 -36.5381 -22.0800 -22.0800 -8.8010 -8.8010 -6.8985 -6.8985 -6.7274 -6.7274 -1.3018 -1.3018 -0.7625 -0.7625 2.4108 2.4108 2.5048 2.5048 3.8826 3.8826 4.1784 4.1784 5.0082 5.0082 5.1750 5.1750 6.2728 6.2728 7.0145 7.0145 8.1091 8.1091 8.2697 8.2697 k = 0.4756-0.8506-0.5133 ( 18770 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0799 -22.0799 -8.8017 -8.8017 -6.9000 -6.9000 -6.7274 -6.7274 -1.2918 -1.2918 -0.7594 -0.7594 2.3996 2.3996 2.4852 2.4852 3.8902 3.8902 4.1725 4.1725 5.0075 5.0075 5.1712 5.1712 6.2699 6.2699 7.0098 7.0098 8.1124 8.1124 8.2480 8.2480 k = 0.4878-0.8724-0.5265 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8021 -8.8021 -6.9008 -6.9008 -6.7274 -6.7274 -1.2857 -1.2857 -0.7576 -0.7576 2.3929 2.3929 2.4733 2.4733 3.8948 3.8948 4.1690 4.1690 5.0071 5.0071 5.1689 5.1689 6.2681 6.2681 7.0070 7.0070 8.1160 8.1160 8.2330 8.2330 k = 0.5000-0.8942-0.5397 ( 18792 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2837 -1.2837 -0.7570 -0.7570 2.3906 2.3906 2.4694 2.4694 3.8963 3.8963 4.1679 4.1679 5.0070 5.0070 5.1681 5.1681 6.2675 6.2675 7.0060 7.0060 8.1176 8.1176 8.2275 8.2275 k = 0.5000-0.8942-0.5397 ( 18792 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2837 -1.2837 -0.7570 -0.7570 2.3906 2.3906 2.4694 2.4694 3.8963 3.8963 4.1679 4.1679 5.0070 5.0070 5.1681 5.1681 6.2675 6.2675 7.0060 7.0060 8.1176 8.1176 8.2275 8.2275 k = 0.5000-0.8793-0.5644 ( 18786 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9010 -6.9010 -6.7277 -6.7277 -1.2828 -1.2828 -0.7571 -0.7571 2.3915 2.3915 2.4695 2.4695 3.8980 3.8980 4.1620 4.1620 5.0066 5.0066 5.1593 5.1593 6.2766 6.2766 7.0088 7.0088 8.1049 8.1049 8.2288 8.2288 k = 0.5000-0.8644-0.5891 ( 18792 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0797 -22.0797 -8.8023 -8.8023 -6.9007 -6.9007 -6.7286 -6.7286 -1.2800 -1.2800 -0.7575 -0.7575 2.3942 2.3942 2.4700 2.4700 3.9031 3.9031 4.1444 4.1444 5.0051 5.0051 5.1338 5.1338 6.3031 6.3031 7.0159 7.0159 8.0750 8.0750 8.2322 8.2322 k = 0.5000-0.8494-0.6139 ( 18788 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0797 -22.0797 -8.8024 -8.8024 -6.9001 -6.9001 -6.7300 -6.7300 -1.2754 -1.2754 -0.7583 -0.7583 2.3986 2.3986 2.4709 2.4709 3.9116 3.9116 4.1160 4.1160 5.0019 5.0019 5.0950 5.0950 6.3445 6.3445 7.0247 7.0247 8.0428 8.0428 8.2376 8.2376 k = 0.5000-0.8345-0.6386 ( 18798 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0796 -22.0796 -8.8026 -8.8026 -6.8993 -6.8993 -6.7320 -6.7320 -1.2689 -1.2689 -0.7593 -0.7593 2.4048 2.4048 2.4719 2.4719 3.9233 3.9233 4.0778 4.0778 4.9928 4.9928 5.0501 5.0501 6.3980 6.3980 7.0308 7.0308 8.0206 8.0206 8.2450 8.2450 k = 0.5000-0.8196-0.6633 ( 18804 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8311 -36.8311 -36.5508 -36.5508 -36.5472 -36.5472 -36.5412 -36.5412 -36.5381 -36.5381 -22.0795 -22.0795 -8.8028 -8.8028 -6.8983 -6.8983 -6.7344 -6.7344 -1.2608 -1.2608 -0.7608 -0.7608 2.4127 2.4127 2.4732 2.4732 3.9383 3.9383 4.0310 4.0310 4.9599 4.9599 5.0199 5.0199 6.4607 6.4607 7.0293 7.0293 8.0169 8.0169 8.2542 8.2542 k = 0.5000-0.8047-0.6881 ( 18802 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8339 -36.8339 -36.8311 -36.8311 -36.5508 -36.5508 -36.5472 -36.5472 -36.5412 -36.5412 -36.5381 -36.5381 -22.0794 -22.0794 -8.8031 -8.8031 -6.8971 -6.8971 -6.7373 -6.7373 -1.2508 -1.2508 -0.7626 -0.7626 2.4224 2.4224 2.4745 2.4745 3.9565 3.9565 3.9772 3.9772 4.9006 4.9006 5.0098 5.0098 6.5304 6.5304 7.0163 7.0163 8.0371 8.0371 8.2652 8.2652 k = 0.5000-0.7897-0.7128 ( 18812 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8339 -36.8339 -36.8311 -36.8311 -36.5508 -36.5508 -36.5471 -36.5471 -36.5413 -36.5413 -36.5380 -36.5380 -22.0792 -22.0792 -8.8034 -8.8034 -6.8957 -6.8957 -6.7407 -6.7407 -1.2392 -1.2392 -0.7648 -0.7648 2.4338 2.4338 2.4759 2.4759 3.9176 3.9176 3.9776 3.9776 4.8326 4.8326 5.0044 5.0044 6.6051 6.6051 6.9904 6.9904 8.0832 8.0832 8.2779 8.2779 k = 0.5000-0.7748-0.7375 ( 18804 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8338 -36.8338 -36.8312 -36.8312 -36.5509 -36.5509 -36.5471 -36.5471 -36.5414 -36.5414 -36.5380 -36.5380 -22.0791 -22.0791 -8.8038 -8.8038 -6.8941 -6.8941 -6.7444 -6.7444 -1.2260 -1.2260 -0.7676 -0.7676 2.4468 2.4468 2.4772 2.4772 3.8537 3.8537 4.0016 4.0016 4.7615 4.7615 4.9996 4.9996 6.6835 6.6835 6.9526 6.9526 8.1539 8.1539 8.2921 8.2921 k = 0.5000-0.7599-0.7622 ( 18810 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8338 -36.8338 -36.8312 -36.8312 -36.5509 -36.5509 -36.5470 -36.5470 -36.5415 -36.5415 -36.5380 -36.5380 -22.0789 -22.0789 -8.8042 -8.8042 -6.8924 -6.8924 -6.7484 -6.7484 -1.2113 -1.2113 -0.7709 -0.7709 2.4614 2.4614 2.4784 2.4784 3.7867 3.7867 4.0283 4.0283 4.6898 4.6898 4.9946 4.9946 6.7644 6.7644 6.9057 6.9057 8.2457 8.2457 8.3080 8.3080 k = 0.5000-0.7450-0.7870 ( 18824 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8313 -36.8313 -36.5509 -36.5509 -36.5469 -36.5469 -36.5415 -36.5415 -36.5379 -36.5379 -22.0788 -22.0788 -8.8046 -8.8046 -6.8906 -6.8906 -6.7527 -6.7527 -1.1951 -1.1951 -0.7749 -0.7749 2.4757 2.4757 2.4810 2.4810 3.7179 3.7179 4.0574 4.0574 4.6190 4.6190 4.9890 4.9890 6.8377 6.8377 6.8622 6.8622 8.3227 8.3227 8.3577 8.3577 k = 0.5000-0.7300-0.8117 ( 18810 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8314 -36.8314 -36.5509 -36.5509 -36.5469 -36.5469 -36.5416 -36.5416 -36.5379 -36.5379 -22.0786 -22.0786 -8.8051 -8.8051 -6.8887 -6.8887 -6.7572 -6.7572 -1.1776 -1.1776 -0.7795 -0.7795 2.4781 2.4781 2.4966 2.4966 3.6482 3.6482 4.0884 4.0884 4.5505 4.5505 4.9826 4.9826 6.7925 6.7925 6.9350 6.9350 8.3414 8.3414 8.4802 8.4802 k = 0.5000-0.7151-0.8364 ( 18806 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8336 -36.8336 -36.8314 -36.8314 -36.5510 -36.5510 -36.5468 -36.5468 -36.5417 -36.5417 -36.5379 -36.5379 -22.0784 -22.0784 -8.8056 -8.8056 -6.8867 -6.8867 -6.7617 -6.7617 -1.1588 -1.1588 -0.7849 -0.7849 2.4775 2.4775 2.5159 2.5159 3.5785 3.5785 4.1207 4.1207 4.4858 4.4858 4.9753 4.9753 6.7341 6.7341 7.0204 7.0204 8.3600 8.3600 8.6120 8.6120 k = 0.5000-0.7002-0.8612 ( 18812 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8335 -36.8335 -36.8315 -36.8315 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0782 -22.0782 -8.8060 -8.8060 -6.8846 -6.8846 -6.7663 -6.7663 -1.1389 -1.1389 -0.7912 -0.7912 2.4758 2.4758 2.5367 2.5367 3.5097 3.5097 4.1529 4.1529 4.4269 4.4269 4.9670 4.9670 6.6755 6.6755 7.1065 7.1065 8.3791 8.3791 8.7382 8.7382 k = 0.5000-0.6853-0.8859 ( 18818 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8335 -36.8335 -36.8316 -36.8316 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0781 -22.0781 -8.8065 -8.8065 -6.8826 -6.8826 -6.7709 -6.7709 -1.1180 -1.1180 -0.7984 -0.7984 2.4730 2.4730 2.5590 2.5590 3.4425 3.4425 4.1817 4.1817 4.3776 4.3776 4.9576 4.9576 6.6183 6.6183 7.1925 7.1925 8.3983 8.3983 8.8000 8.8000 k = 0.5000-0.6703-0.9106 ( 18824 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8334 -36.8334 -36.8317 -36.8317 -36.5510 -36.5510 -36.5466 -36.5466 -36.5419 -36.5419 -36.5378 -36.5378 -22.0779 -22.0779 -8.8070 -8.8070 -6.8806 -6.8806 -6.7752 -6.7752 -1.0963 -1.0963 -0.8067 -0.8067 2.4690 2.4690 2.5825 2.5825 3.3776 3.3776 4.1981 4.1981 4.3472 4.3472 4.9470 4.9470 6.5634 6.5634 7.2774 7.2774 8.4176 8.4176 8.7825 8.7825 k = 0.5000-0.6554-0.9354 ( 18822 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8333 -36.8333 -36.8318 -36.8318 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5378 -36.5378 -22.0777 -22.0777 -8.8075 -8.8075 -6.8787 -6.8787 -6.7794 -6.7794 -1.0740 -1.0740 -0.8160 -0.8160 2.4637 2.4637 2.6070 2.6070 3.3156 3.3156 4.1903 4.1903 4.3481 4.3481 4.9352 4.9352 6.5117 6.5117 7.3602 7.3602 8.4368 8.4368 8.7452 8.7452 k = 0.5000-0.6405-0.9601 ( 18822 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8332 -36.8332 -36.8319 -36.8319 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5377 -36.5377 -22.0776 -22.0776 -8.8079 -8.8079 -6.8770 -6.8770 -6.7831 -6.7831 -1.0512 -1.0512 -0.8266 -0.8266 2.4570 2.4570 2.6322 2.6322 3.2573 3.2573 4.1642 4.1642 4.3744 4.3744 4.9222 4.9222 6.4635 6.4635 7.4394 7.4394 8.4558 8.4558 8.7042 8.7042 k = 0.5000-0.6256-0.9848 ( 18818 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8331 -36.8331 -36.8320 -36.8320 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0774 -22.0774 -8.8083 -8.8083 -6.8755 -6.8755 -6.7865 -6.7865 -1.0281 -1.0281 -0.8384 -0.8384 2.4489 2.4489 2.6578 2.6578 3.2033 3.2033 4.1337 4.1337 4.4124 4.4124 4.9080 4.9080 6.4194 6.4194 7.5131 7.5131 8.4749 8.4749 8.6633 8.6633 k = 0.5000-0.6106-1.0096 ( 18824 PWs) bands (ev): -69.8784 -69.8784 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8330 -36.8330 -36.8321 -36.8321 -36.5511 -36.5511 -36.5464 -36.5464 -36.5422 -36.5422 -36.5377 -36.5377 -22.0773 -22.0773 -8.8087 -8.8087 -6.8743 -6.8743 -6.7893 -6.7893 -1.0050 -1.0050 -0.8515 -0.8515 2.4397 2.4397 2.6831 2.6831 3.1545 3.1545 4.1053 4.1053 4.4555 4.4555 4.8927 4.8927 6.3797 6.3797 7.5790 7.5790 8.4949 8.4949 8.6241 8.6241 k = 0.5000-0.5957-1.0343 ( 18826 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8329 -36.8329 -36.8322 -36.8322 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8090 -8.8090 -6.8733 -6.8733 -6.7915 -6.7915 -0.9821 -0.9821 -0.8659 -0.8659 2.4295 2.4295 2.7072 2.7072 3.1122 3.1122 4.0815 4.0815 4.5012 4.5012 4.8764 4.8764 6.3444 6.3444 7.6344 7.6344 8.5166 8.5166 8.5875 8.5875 k = 0.5000-0.5808-1.0590 ( 18820 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8328 -36.8328 -36.8323 -36.8323 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8092 -8.8092 -6.8727 -6.8727 -6.7931 -6.7931 -0.9597 -0.9597 -0.8816 -0.8816 2.4185 2.4185 2.7287 2.7287 3.0779 3.0779 4.0632 4.0632 4.5484 4.5484 4.8593 4.8593 6.3138 6.3138 7.6764 7.6764 8.5380 8.5380 8.5574 8.5574 k = 0.5000-0.5659-1.0838 ( 18820 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8326 -36.8326 -36.8324 -36.8324 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8723 -6.8723 -6.7940 -6.7940 -0.9386 -0.9386 -0.8981 -0.8981 2.4073 2.4073 2.7454 2.7454 3.0538 3.0538 4.0506 4.0506 4.5961 4.5961 4.8416 4.8416 6.2879 6.2879 7.7029 7.7029 8.5195 8.5195 8.5747 8.5747 k = 0.5000-0.5509-1.1085 ( 18814 PWs) bands (ev): -69.8783 -69.8783 -69.8783 -69.8783 -40.1208 -40.1208 -40.1205 -40.1205 -36.8326 -36.8326 -36.8325 -36.8325 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8722 -6.8722 -6.7943 -6.7943 -0.9260 -0.9260 -0.9086 -0.9086 2.3962 2.3962 2.7554 2.7554 3.0421 3.0421 4.0439 4.0439 4.6438 4.6438 4.8238 4.8238 6.2666 6.2666 7.7131 7.7131 8.4924 8.4924 8.6076 8.6076 k = 0.5000-0.5360-1.1332 ( 18802 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8327 -36.8327 -36.8324 -36.8324 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8724 -6.8724 -6.7939 -6.7939 -0.9411 -0.9411 -0.8940 -0.8940 2.3859 2.3859 2.7574 2.7574 3.0439 3.0439 4.0429 4.0429 4.6900 4.6900 4.8069 4.8069 6.2500 6.2500 7.7078 7.7078 8.4683 8.4683 8.6424 8.6424 k = 0.5000-0.5211-1.1580 ( 18794 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8328 -36.8328 -36.8323 -36.8323 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8092 -8.8092 -6.8726 -6.8726 -6.7930 -6.7930 -0.9623 -0.9623 -0.8762 -0.8762 2.3769 2.3769 2.7524 2.7524 3.0584 3.0584 4.0474 4.0474 4.7308 4.7308 4.7948 4.7948 6.2378 6.2378 7.6892 7.6892 8.4477 8.4477 8.6741 8.6741 k = 0.8179-0.4382-1.0007 ( 18794 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8328 -36.8328 -36.8323 -36.8323 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8092 -8.8092 -6.8726 -6.8726 -6.7930 -6.7930 -0.9623 -0.9623 -0.8762 -0.8762 2.3769 2.3769 2.7524 2.7524 3.0584 3.0584 4.0474 4.0474 4.7308 4.7308 4.7948 4.7948 6.2378 6.2378 7.6892 7.6892 8.4477 8.4477 8.6741 8.6741 k = 0.8107-0.4253-0.9762 ( 18792 PWs) bands (ev): -69.8784 -69.8784 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8329 -36.8329 -36.8321 -36.8321 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0773 -22.0773 -8.8088 -8.8088 -6.8728 -6.8728 -6.7917 -6.7917 -0.9853 -0.9853 -0.8597 -0.8597 2.3699 2.3699 2.7431 2.7431 3.0827 3.0827 4.0571 4.0571 4.7473 4.7473 4.8059 4.8059 6.2300 6.2300 7.6603 7.6603 8.4309 8.4309 8.6971 8.6971 k = 0.8034-0.4124-0.9516 ( 18792 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8331 -36.8331 -36.8320 -36.8320 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0774 -22.0774 -8.8084 -8.8084 -6.8730 -6.8730 -6.7899 -6.7899 -1.0098 -1.0098 -0.8450 -0.8450 2.3654 2.3654 2.7320 2.7320 3.1144 3.1144 4.0716 4.0716 4.7376 4.7376 4.8421 4.8421 6.2264 6.2264 7.6241 7.6241 8.4179 8.4179 8.7072 8.7072 k = 0.7962-0.3995-0.9271 ( 18766 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8332 -36.8332 -36.8319 -36.8319 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0776 -22.0776 -8.8078 -8.8078 -6.8731 -6.8731 -6.7878 -6.7878 -1.0357 -1.0357 -0.8324 -0.8324 2.3639 2.3639 2.7209 2.7209 3.1513 3.1513 4.0907 4.0907 4.7226 4.7226 4.8823 4.8823 6.2268 6.2268 7.5832 7.5832 8.4086 8.4086 8.7025 8.7025 k = 0.7890-0.3866-0.9026 ( 18762 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8333 -36.8333 -36.8317 -36.8317 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5377 -36.5377 -22.0778 -22.0778 -8.8070 -8.8070 -6.8730 -6.8730 -6.7855 -6.7855 -1.0629 -1.0629 -0.8221 -0.8221 2.3661 2.3661 2.7112 2.7112 3.1922 3.1922 4.1140 4.1140 4.7071 4.7071 4.9213 4.9213 6.2312 6.2312 7.5401 7.5401 8.4033 8.4033 8.6841 8.6841 k = 0.7818-0.3736-0.8780 ( 18770 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8335 -36.8335 -36.8316 -36.8316 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5378 -36.5378 -22.0781 -22.0781 -8.8060 -8.8060 -6.8726 -6.8726 -6.7829 -6.7829 -1.0913 -1.0913 -0.8144 -0.8144 2.3723 2.3723 2.7035 2.7035 3.2363 3.2363 4.1413 4.1413 4.6925 4.6925 4.9576 4.9576 6.2392 6.2392 7.4966 7.4966 8.4018 8.4018 8.6546 8.6546 k = 0.7745-0.3607-0.8535 ( 18774 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8336 -36.8336 -36.8315 -36.8315 -36.5511 -36.5511 -36.5466 -36.5466 -36.5419 -36.5419 -36.5378 -36.5378 -22.0784 -22.0784 -8.8049 -8.8049 -6.8719 -6.8719 -6.7802 -6.7802 -1.1208 -1.1208 -0.8093 -0.8093 2.3832 2.3832 2.6982 2.6982 3.2829 3.2829 4.1721 4.1721 4.6791 4.6791 4.9903 4.9903 6.2510 6.2510 7.4544 7.4544 8.4041 8.4041 8.6170 8.6170 k = 0.7673-0.3478-0.8290 ( 18776 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8313 -36.8313 -36.5510 -36.5510 -36.5466 -36.5466 -36.5418 -36.5418 -36.5378 -36.5378 -22.0787 -22.0787 -8.8036 -8.8036 -6.8708 -6.8708 -6.7773 -6.7773 -1.1513 -1.1513 -0.8070 -0.8070 2.3989 2.3989 2.6955 2.6955 3.3317 3.3317 4.2063 4.2063 4.6674 4.6674 5.0187 5.0187 6.2662 6.2662 7.4149 7.4149 8.4103 8.4103 8.5741 8.5741 k = 0.7601-0.3349-0.8045 ( 18774 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8339 -36.8339 -36.8312 -36.8312 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0791 -22.0791 -8.8021 -8.8021 -6.8694 -6.8694 -6.7744 -6.7744 -1.1826 -1.1826 -0.8076 -0.8076 2.4198 2.4198 2.6954 2.6954 3.3825 3.3825 4.2435 4.2435 4.6575 4.6575 5.0421 5.0421 6.2850 6.2850 7.3790 7.3790 8.4202 8.4202 8.5281 8.5281 k = 0.7529-0.3219-0.7799 ( 18776 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5510 -36.5510 -36.5467 -36.5467 -36.5417 -36.5417 -36.5379 -36.5379 -22.0796 -22.0796 -8.8004 -8.8004 -6.8676 -6.8676 -6.7714 -6.7714 -1.2147 -1.2147 -0.8110 -0.8110 2.4462 2.4462 2.6978 2.6978 3.4351 3.4351 4.2834 4.2834 4.6499 4.6499 5.0600 5.0600 6.3071 6.3071 7.3476 7.3476 8.4335 8.4335 8.4812 8.4812 k = 0.7456-0.3090-0.7554 ( 18774 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5510 -36.5510 -36.5468 -36.5468 -36.5416 -36.5416 -36.5379 -36.5379 -22.0801 -22.0801 -8.7986 -8.7986 -6.8654 -6.8654 -6.7683 -6.7683 -1.2475 -1.2475 -0.8173 -0.8173 2.4782 2.4782 2.7027 2.7027 3.4893 3.4893 4.3259 4.3259 4.6446 4.6446 5.0719 5.0719 6.3326 6.3326 7.3212 7.3212 8.4316 8.4316 8.4536 8.4536 k = 0.7384-0.2961-0.7309 ( 18762 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8343 -36.8343 -36.8307 -36.8307 -36.5510 -36.5510 -36.5468 -36.5468 -36.5415 -36.5415 -36.5379 -36.5379 -22.0806 -22.0806 -8.7966 -8.7966 -6.8628 -6.8628 -6.7651 -6.7651 -1.2807 -1.2807 -0.8263 -0.8263 2.5158 2.5158 2.7098 2.7098 3.5450 3.5450 4.3707 4.3707 4.6419 4.6419 5.0775 5.0775 6.3613 6.3613 7.2998 7.2998 8.3880 8.3880 8.4730 8.4730 k = 0.7312-0.2832-0.7063 ( 18770 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8344 -36.8344 -36.8306 -36.8306 -36.5510 -36.5510 -36.5469 -36.5469 -36.5415 -36.5415 -36.5380 -36.5380 -22.0812 -22.0812 -8.7944 -8.7944 -6.8599 -6.8599 -6.7619 -6.7619 -1.3143 -1.3143 -0.8379 -0.8379 2.5591 2.5591 2.7190 2.7190 3.6022 3.6022 4.4175 4.4175 4.6420 4.6420 5.0766 5.0766 6.3933 6.3933 7.2833 7.2833 8.3464 8.3464 8.4969 8.4969 k = 0.7240-0.2703-0.6818 ( 18772 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8345 -36.8345 -36.8304 -36.8304 -36.5510 -36.5510 -36.5469 -36.5469 -36.5414 -36.5414 -36.5380 -36.5380 -22.0818 -22.0818 -8.7920 -8.7920 -6.8567 -6.8567 -6.7586 -6.7586 -1.3482 -1.3482 -0.8521 -0.8521 2.6081 2.6081 2.7300 2.7300 3.6607 3.6607 4.4661 4.4661 4.6450 4.6450 5.0693 5.0693 6.4286 6.4286 7.2712 7.2712 8.3093 8.3093 8.5239 8.5239 k = 0.7167-0.2573-0.6573 ( 18782 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8347 -36.8347 -36.8303 -36.8303 -36.5510 -36.5510 -36.5470 -36.5470 -36.5413 -36.5413 -36.5380 -36.5380 -22.0824 -22.0824 -8.7895 -8.7895 -6.8531 -6.8531 -6.7552 -6.7552 -1.3821 -1.3821 -0.8685 -0.8685 2.6626 2.6626 2.7426 2.7426 3.7206 3.7206 4.5162 4.5162 4.6513 4.6513 5.0558 5.0558 6.4670 6.4670 7.2625 7.2625 8.2780 8.2780 8.5532 8.5532 k = 0.7095-0.2444-0.6327 ( 18774 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8348 -36.8348 -36.8302 -36.8302 -36.5510 -36.5510 -36.5470 -36.5470 -36.5412 -36.5412 -36.5381 -36.5381 -22.0831 -22.0831 -8.7868 -8.7868 -6.8493 -6.8493 -6.7516 -6.7516 -1.4160 -1.4160 -0.8870 -0.8870 2.7225 2.7225 2.7566 2.7566 3.7817 3.7817 4.5676 4.5676 4.6609 4.6609 5.0364 5.0364 6.5087 6.5087 7.2563 7.2563 8.2539 8.2539 8.5833 8.5833 k = 0.7023-0.2315-0.6082 ( 18760 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8349 -36.8349 -36.8300 -36.8300 -36.5510 -36.5510 -36.5470 -36.5470 -36.5412 -36.5412 -36.5381 -36.5381 -22.0839 -22.0839 -8.7840 -8.7840 -6.8453 -6.8453 -6.7480 -6.7480 -1.4498 -1.4498 -0.9074 -0.9074 2.7715 2.7715 2.7879 2.7879 3.8440 3.8440 4.6194 4.6194 4.6745 4.6745 5.0117 5.0117 6.5535 6.5535 7.2511 7.2511 8.2381 8.2381 8.6092 8.6092 k = 0.6951-0.2186-0.5837 ( 18766 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8350 -36.8350 -36.8299 -36.8299 -36.5510 -36.5510 -36.5470 -36.5470 -36.5411 -36.5411 -36.5381 -36.5381 -22.0846 -22.0846 -8.7811 -8.7811 -6.8411 -6.8411 -6.7442 -6.7442 -1.4834 -1.4834 -0.9295 -0.9295 2.7875 2.7875 2.8580 2.8580 3.9075 3.9075 4.6686 4.6686 4.6951 4.6951 4.9824 4.9824 6.6015 6.6015 7.2457 7.2457 8.2314 8.2314 8.6103 8.6103 k = 0.6878-0.2057-0.5592 ( 18772 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8352 -36.8352 -36.8297 -36.8297 -36.5511 -36.5511 -36.5470 -36.5470 -36.5411 -36.5411 -36.5381 -36.5381 -22.0854 -22.0854 -8.7781 -8.7781 -6.8367 -6.8367 -6.7401 -6.7401 -1.5166 -1.5166 -0.9529 -0.9529 2.8040 2.8040 2.9331 2.9331 3.9721 3.9721 4.7018 4.7018 4.7356 4.7356 4.9495 4.9495 6.6527 6.6527 7.2391 7.2391 8.2345 8.2345 8.5780 8.5780 k = 0.6806-0.1927-0.5346 ( 18766 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8353 -36.8353 -36.8296 -36.8296 -36.5511 -36.5511 -36.5470 -36.5470 -36.5410 -36.5410 -36.5382 -36.5382 -22.0862 -22.0862 -8.7750 -8.7750 -6.8324 -6.8324 -6.7359 -6.7359 -1.5493 -1.5493 -0.9776 -0.9776 2.8207 2.8207 3.0126 3.0126 4.0377 4.0377 4.7266 4.7266 4.7877 4.7877 4.9142 4.9142 6.7071 6.7071 7.2304 7.2304 8.2475 8.2475 8.5360 8.5360 k = 0.6734-0.1798-0.5101 ( 18764 PWs) bands (ev): -69.8790 -69.8790 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8354 -36.8354 -36.8295 -36.8295 -36.5511 -36.5511 -36.5470 -36.5470 -36.5410 -36.5410 -36.5382 -36.5382 -22.0870 -22.0870 -8.7718 -8.7718 -6.8281 -6.8281 -6.7313 -6.7313 -1.5815 -1.5815 -1.0031 -1.0031 2.8376 2.8376 3.0965 3.0965 4.1044 4.1044 4.7516 4.7516 4.8380 4.8380 4.8818 4.8818 6.7645 6.7645 7.2194 7.2194 8.2698 8.2698 8.4922 8.4922 k = 0.6662-0.1669-0.4856 ( 18764 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8355 -36.8355 -36.8293 -36.8293 -36.5511 -36.5511 -36.5470 -36.5470 -36.5409 -36.5409 -36.5382 -36.5382 -22.0878 -22.0878 -8.7686 -8.7686 -6.8239 -6.8239 -6.7265 -6.7265 -1.6129 -1.6129 -1.0293 -1.0293 2.8544 2.8544 3.1842 3.1842 4.1721 4.1721 4.7729 4.7729 4.8392 4.8392 4.9041 4.9041 6.8249 6.8249 7.2061 7.2061 8.3002 8.3002 8.4483 8.4483 k = 0.6589-0.1540-0.4610 ( 18772 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8356 -36.8356 -36.8292 -36.8292 -36.5511 -36.5511 -36.5470 -36.5470 -36.5409 -36.5409 -36.5382 -36.5382 -22.0887 -22.0887 -8.7653 -8.7653 -6.8198 -6.8198 -6.7213 -6.7213 -1.6437 -1.6437 -1.0560 -1.0560 2.8708 2.8708 3.2755 3.2755 4.2407 4.2407 4.7655 4.7655 4.8404 4.8404 4.9574 4.9574 6.8883 6.8883 7.1909 7.1909 8.3369 8.3369 8.4051 8.4051 k = 0.6517-0.1411-0.4365 ( 18776 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8357 -36.8357 -36.8291 -36.8291 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5382 -36.5382 -22.0895 -22.0895 -8.7621 -8.7621 -6.8160 -6.8160 -6.7158 -6.7158 -1.6736 -1.6736 -1.0829 -1.0829 2.8867 2.8867 3.3699 3.3699 4.3102 4.3102 4.7308 4.7308 4.8705 4.8705 5.0118 5.0118 6.9546 6.9546 7.1745 7.1745 8.3588 8.3588 8.3819 8.3819 k = 0.6445-0.1281-0.4120 ( 18782 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8358 -36.8358 -36.8290 -36.8290 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0904 -22.0904 -8.7588 -8.7588 -6.8124 -6.8124 -6.7099 -6.7099 -1.7025 -1.7025 -1.1099 -1.1099 2.9019 2.9019 3.4668 3.4668 4.3806 4.3806 4.6909 4.6909 4.9094 4.9094 5.0659 5.0659 7.0234 7.0234 7.1575 7.1575 8.3186 8.3186 8.4233 8.4233 k = 0.6373-0.1152-0.3874 ( 18782 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8359 -36.8359 -36.8289 -36.8289 -36.5512 -36.5512 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0912 -22.0912 -8.7556 -8.7556 -6.8091 -6.8091 -6.7037 -6.7037 -1.7305 -1.7305 -1.1368 -1.1368 2.9164 2.9164 3.5655 3.5655 4.4517 4.4517 4.6513 4.6513 4.9528 4.9528 5.1190 5.1190 7.0936 7.0936 7.1418 7.1418 8.2775 8.2775 8.4656 8.4656 k = 0.6300-0.1023-0.3629 ( 18784 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8360 -36.8360 -36.8287 -36.8287 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0921 -22.0921 -8.7524 -8.7524 -6.8061 -6.8061 -6.6972 -6.6972 -1.7574 -1.7574 -1.1633 -1.1633 2.9301 2.9301 3.6648 3.6648 4.5226 4.5226 4.6150 4.6150 4.9995 4.9995 5.1707 5.1707 7.1210 7.1210 7.1719 7.1719 8.2374 8.2374 8.5041 8.5041 k = 0.6228-0.0894-0.3384 ( 18774 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8361 -36.8361 -36.8286 -36.8286 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0929 -22.0929 -8.7493 -8.7493 -6.8034 -6.8034 -6.6905 -6.6905 -1.7832 -1.7832 -1.1894 -1.1894 2.9428 2.9428 3.7631 3.7631 4.5706 4.5706 4.6067 4.6067 5.0489 5.0489 5.2208 5.2208 7.1069 7.1069 7.2465 7.2465 8.1986 8.1986 8.5359 8.5359 k = 0.6156-0.0764-0.3139 ( 18758 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8362 -36.8362 -36.8285 -36.8285 -36.5513 -36.5513 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0937 -22.0937 -8.7462 -8.7462 -6.8010 -6.8010 -6.6836 -6.6836 -1.8078 -1.8078 -1.2148 -1.2148 2.9545 2.9545 3.8577 3.8577 4.5510 4.5510 4.6739 4.6739 5.1005 5.1005 5.2689 5.2689 7.0933 7.0933 7.3237 7.3237 8.1616 8.1616 8.5587 8.5587 k = 0.6084-0.0635-0.2893 ( 18746 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8363 -36.8363 -36.8284 -36.8284 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0945 -22.0945 -8.7433 -8.7433 -6.7989 -6.7989 -6.6766 -6.6766 -1.8311 -1.8311 -1.2393 -1.2393 2.9652 2.9652 3.9444 3.9444 4.5374 4.5374 4.7474 4.7474 5.1538 5.1538 5.3146 5.3146 7.0813 7.0813 7.4017 7.4017 8.1272 8.1272 8.5699 8.5699 k = 0.6011-0.0506-0.2648 ( 18750 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8364 -36.8364 -36.8283 -36.8283 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0953 -22.0953 -8.7404 -8.7404 -6.7971 -6.7971 -6.6695 -6.6695 -1.8532 -1.8532 -1.2630 -1.2630 2.9750 2.9750 4.0165 4.0165 4.5416 4.5416 4.8218 4.8218 5.2083 5.2083 5.3576 5.3576 7.0711 7.0711 7.4791 7.4791 8.0965 8.0965 8.5531 8.5531 k = 0.5939-0.0377-0.2403 ( 18750 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8283 -36.8283 -36.5514 -36.5514 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0960 -22.0960 -8.7377 -8.7377 -6.7955 -6.7955 -6.6624 -6.6624 -1.8739 -1.8739 -1.2855 -1.2855 2.9838 2.9838 4.0670 4.0670 4.5709 4.5709 4.8965 4.8965 5.2633 5.2633 5.3978 5.3978 7.0626 7.0626 7.5538 7.5538 8.0717 8.0717 8.4798 8.4798 k = 0.5867-0.0248-0.2157 ( 18740 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8282 -36.8282 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0967 -22.0967 -8.7352 -8.7352 -6.7941 -6.7941 -6.6555 -6.6555 -1.8932 -1.8932 -1.3069 -1.3069 2.9917 2.9917 4.0931 4.0931 4.6282 4.6282 4.9711 4.9711 5.3182 5.3182 5.4349 5.4349 7.0555 7.0555 7.6218 7.6218 8.0564 8.0564 8.3898 8.3898 k = 0.5795-0.0118-0.1912 ( 18742 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8281 -36.8281 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0973 -22.0973 -8.7328 -8.7328 -6.7929 -6.7929 -6.6488 -6.6488 -1.9112 -1.9112 -1.3270 -1.3270 2.9987 2.9987 4.0991 4.0991 4.7090 4.7090 5.0452 5.0452 5.3722 5.3722 5.4687 5.4687 7.0493 7.0493 7.6772 7.6772 8.0563 8.0563 8.2971 8.2971 k = 0.5722 0.0011-0.1667 ( 18730 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8280 -36.8280 -36.5515 -36.5515 -36.5466 -36.5466 -36.5408 -36.5408 -36.5382 -36.5382 -22.0980 -22.0980 -8.7305 -8.7305 -6.7919 -6.7919 -6.6424 -6.6424 -1.9276 -1.9276 -1.3457 -1.3457 3.0048 3.0048 4.0923 4.0923 4.8054 4.8054 5.1182 5.1182 5.4247 5.4247 5.4991 5.4991 7.0430 7.0430 7.7132 7.7132 8.0776 8.0776 8.2047 8.2047 k = 0.5650 0.0140-0.1421 ( 18732 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8280 -36.8280 -36.5516 -36.5516 -36.5466 -36.5466 -36.5409 -36.5409 -36.5382 -36.5382 -22.0985 -22.0985 -8.7285 -8.7285 -6.7911 -6.7911 -6.6363 -6.6363 -1.9426 -1.9426 -1.3629 -1.3629 3.0102 3.0102 4.0786 4.0786 4.9112 4.9112 5.1898 5.1898 5.4747 5.4747 5.5263 5.5263 7.0357 7.0357 7.7278 7.7278 8.0987 8.0987 8.1373 8.1373 k = 0.5578 0.0269-0.1176 ( 18746 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0990 -22.0990 -8.7266 -8.7266 -6.7904 -6.7904 -6.6306 -6.6306 -1.9561 -1.9561 -1.3785 -1.3785 3.0148 3.0148 4.0620 4.0620 5.0216 5.0216 5.2591 5.2591 5.5214 5.5214 5.5502 5.5502 7.0257 7.0257 7.7262 7.7262 8.0179 8.0179 8.1929 8.1929 k = 0.5506 0.0398-0.0931 ( 18752 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0995 -22.0995 -8.7250 -8.7250 -6.7898 -6.7898 -6.6255 -6.6255 -1.9681 -1.9681 -1.3924 -1.3924 3.0187 3.0187 4.0447 4.0447 5.1332 5.1332 5.3254 5.3254 5.5634 5.5634 5.5713 5.5713 7.0115 7.0115 7.7154 7.7154 7.9338 7.9338 8.2676 8.2676 k = 0.5433 0.0528-0.0685 ( 18738 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0999 -22.0999 -8.7235 -8.7235 -6.7893 -6.7893 -6.6209 -6.6209 -1.9785 -1.9785 -1.4047 -1.4047 3.0221 3.0221 4.0280 4.0280 5.2430 5.2430 5.3878 5.3878 5.5882 5.5882 5.6017 5.6017 6.9916 6.9916 7.7007 7.7007 7.8568 7.8568 8.3478 8.3478 k = 0.5361 0.0657-0.0440 ( 18740 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.1003 -22.1003 -8.7223 -8.7223 -6.7889 -6.7889 -6.6169 -6.6169 -1.9873 -1.9873 -1.4151 -1.4151 3.0248 3.0248 4.0130 4.0130 5.3479 5.3479 5.4454 5.4454 5.6039 5.6039 5.6328 5.6328 6.9652 6.9652 7.6852 7.6852 7.7899 7.7899 8.4285 8.4285 k = 0.5289 0.0786-0.0195 ( 18744 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5516 -36.5516 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1006 -22.1006 -8.7212 -8.7212 -6.7886 -6.7886 -6.6136 -6.6136 -1.9946 -1.9946 -1.4237 -1.4237 3.0269 3.0269 4.0001 4.0001 5.4434 5.4434 5.4970 5.4970 5.6178 5.6178 5.6573 5.6573 6.9329 6.9329 7.6706 7.6706 7.7353 7.7353 8.5059 8.5059 k = 0.5217 0.0915 0.0050 ( 18752 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1008 -22.1008 -8.7204 -8.7204 -6.7884 -6.7884 -6.6109 -6.6109 -2.0002 -2.0002 -1.4305 -1.4305 3.0286 3.0286 3.9898 3.9898 5.5231 5.5231 5.5413 5.5413 5.6322 5.6322 5.6750 5.6750 6.8977 6.8977 7.6580 7.6580 7.6944 7.6944 8.5755 8.5755 k = 0.5144 0.1045 0.0296 ( 18740 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1009 -22.1009 -8.7199 -8.7199 -6.7882 -6.7882 -6.6090 -6.6090 -2.0042 -2.0042 -1.4353 -1.4353 3.0297 3.0297 3.9822 3.9822 5.5743 5.5743 5.5787 5.5787 5.6512 5.6512 5.6866 5.6866 6.8648 6.8648 7.6474 7.6474 7.6673 7.6673 8.6309 8.6309 k = 0.5072 0.1174 0.0541 ( 18744 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1010 -22.1010 -8.7195 -8.7195 -6.7881 -6.7881 -6.6079 -6.6079 -2.0067 -2.0067 -1.4382 -1.4382 3.0304 3.0304 3.9776 3.9776 5.5968 5.5968 5.6034 5.6034 5.6705 5.6705 5.6960 5.6960 6.8410 6.8410 7.6389 7.6389 7.6538 7.6538 8.6469 8.6469 k = 0.5000 0.1303 0.0786 ( 18750 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7881 -6.7881 -6.6075 -6.6075 -2.0075 -2.0075 -1.4392 -1.4392 3.0307 3.0307 3.9761 3.9761 5.6033 5.6033 5.6111 5.6111 5.6764 5.6764 5.7019 5.7019 6.8322 6.8322 7.6353 7.6353 7.6501 7.6501 8.6452 8.6452 k = 0.5000 0.1303 0.0786 ( 18750 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7881 -6.7881 -6.6075 -6.6075 -2.0075 -2.0075 -1.4392 -1.4392 3.0307 3.0307 3.9761 3.9761 5.6033 5.6033 5.6111 5.6111 5.6764 5.6764 5.7019 5.7019 6.8322 6.8322 7.6353 7.6353 7.6501 7.6501 8.6452 8.6452 k = 0.4737 0.1234 0.0745 ( 18734 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7881 -6.7881 -6.6075 -6.6075 -2.0102 -2.0102 -1.4355 -1.4355 3.0194 3.0194 3.9900 3.9900 5.5961 5.5961 5.6051 5.6051 5.6840 5.6840 5.7084 5.7084 6.8327 6.8327 7.6366 7.6366 7.6512 7.6512 8.6403 8.6403 k = 0.4474 0.1166 0.0704 ( 18719 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7880 -6.7880 -6.6075 -6.6075 -2.0181 -2.0181 -1.4248 -1.4248 2.9877 2.9877 4.0299 4.0299 5.5798 5.5798 5.5904 5.5904 5.7017 5.7017 5.7244 5.7244 6.8341 6.8341 7.6402 7.6402 7.6547 7.6547 8.6112 8.6113 k = 0.4211 0.1097 0.0662 ( 18728 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7879 -6.7879 -6.6075 -6.6075 -2.0304 -2.0304 -1.4077 -1.4077 2.9400 2.9400 4.0911 4.0911 5.5604 5.5604 5.5721 5.5721 5.7233 5.7233 5.7449 5.7449 6.8362 6.8362 7.6461 7.6461 7.6602 7.6602 8.5517 8.5517 k = 0.3947 0.1029 0.0621 ( 18713 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7878 -6.7878 -6.6075 -6.6075 -2.0463 -2.0463 -1.3854 -1.3854 2.8816 2.8816 4.1686 4.1686 5.5402 5.5402 5.5525 5.5525 5.7465 5.7465 5.7675 5.7675 6.8385 6.8385 7.6538 7.6538 7.6673 7.6673 8.4963 8.4963 k = 0.3684 0.0960 0.0579 ( 18710 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7193 -8.7193 -6.7876 -6.7876 -6.6075 -6.6075 -2.0646 -2.0646 -1.3590 -1.3590 2.8166 2.8166 4.2581 4.2581 5.5202 5.5202 5.5329 5.5329 5.7702 5.7702 5.7910 5.7910 6.8405 6.8405 7.6629 7.6629 7.6754 7.6754 8.4461 8.4461 k = 0.3421 0.0891 0.0538 ( 18695 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7193 -8.7193 -6.7875 -6.7875 -6.6075 -6.6075 -2.0845 -2.0845 -1.3297 -1.3297 2.7485 2.7485 4.3565 4.3565 5.5009 5.5009 5.5138 5.5138 5.7940 5.7940 5.8147 5.8147 6.8414 6.8414 7.6726 7.6726 7.6837 7.6837 8.4021 8.4021 k = 0.3158 0.0823 0.0497 ( 18698 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7193 -8.7193 -6.7873 -6.7873 -6.6075 -6.6075 -2.1051 -2.1051 -1.2984 -1.2984 2.6795 2.6795 4.4614 4.4614 5.4824 5.4824 5.4954 5.4954 5.8175 5.8175 5.8382 5.8382 6.8400 6.8400 7.6820 7.6820 7.6912 7.6912 8.3657 8.3657 k = 0.2895 0.0754 0.0455 ( 18692 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7192 -8.7192 -6.7871 -6.7871 -6.6075 -6.6075 -2.1257 -2.1257 -1.2660 -1.2660 2.6116 2.6116 4.5712 4.5712 5.4650 5.4650 5.4780 5.4780 5.8405 5.8405 5.8613 5.8613 6.8348 6.8348 7.6901 7.6901 7.6969 7.6969 8.2541 8.2541 k = 0.2632 0.0686 0.0414 ( 18656 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7192 -8.7192 -6.7868 -6.7868 -6.6075 -6.6075 -2.1458 -2.1458 -1.2335 -1.2335 2.5458 2.5458 4.6846 4.6846 5.4488 5.4488 5.4618 5.4618 5.8626 5.8626 5.8835 5.8835 6.8239 6.8239 7.6960 7.6960 7.6996 7.6997 8.1456 8.1456 k = 0.2368 0.0617 0.0372 ( 18656 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7192 -8.7192 -6.7866 -6.7866 -6.6075 -6.6075 -2.1650 -2.1650 -1.2015 -1.2015 2.4835 2.4835 4.8006 4.8006 5.4338 5.4338 5.4468 5.4468 5.8836 5.8836 5.9048 5.9048 6.8051 6.8051 7.6987 7.6987 7.6989 7.6989 8.0486 8.0486 k = 0.2105 0.0549 0.0331 ( 18659 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7191 -8.7191 -6.7864 -6.7864 -6.6075 -6.6075 -2.1829 -2.1829 -1.1707 -1.1707 2.4253 2.4253 4.9182 4.9182 5.4202 5.4202 5.4332 5.4332 5.9034 5.9034 5.9248 5.9248 6.7760 6.7760 7.6945 7.6945 7.6980 7.6980 7.9659 7.9659 k = 0.1842 0.0480 0.0290 ( 18677 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7191 -8.7191 -6.7862 -6.7862 -6.6075 -6.6075 -2.1992 -2.1992 -1.1419 -1.1419 2.3721 2.3721 5.0365 5.0365 5.4081 5.4081 5.4210 5.4210 5.9216 5.9216 5.9432 5.9432 6.7350 6.7350 7.6869 7.6869 7.6940 7.6940 7.8999 7.8999 k = 0.1579 0.0411 0.0248 ( 18683 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7191 -8.7191 -6.7860 -6.7860 -6.6075 -6.6075 -2.2137 -2.2137 -1.1155 -1.1155 2.3246 2.3246 5.1544 5.1544 5.3975 5.3975 5.4104 5.4104 5.9380 5.9380 5.9598 5.9598 6.6814 6.6814 7.6770 7.6770 7.6874 7.6874 7.8520 7.8520 k = 0.1316 0.0343 0.0207 ( 18683 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7191 -8.7191 -6.7858 -6.7858 -6.6075 -6.6075 -2.2263 -2.2263 -1.0921 -1.0921 2.2833 2.2833 5.2703 5.2703 5.3885 5.3885 5.4013 5.4013 5.9525 5.9525 5.9744 5.9744 6.6163 6.6163 7.6662 7.6662 7.6792 7.6792 7.8221 7.8221 k = 0.1053 0.0274 0.0166 ( 18671 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7857 -6.7857 -6.6075 -6.6075 -2.2367 -2.2367 -1.0722 -1.0722 2.2487 2.2487 5.3789 5.3789 5.3840 5.3840 5.3937 5.3937 5.9647 5.9647 5.9867 5.9867 6.5428 6.5428 7.6556 7.6556 7.6707 7.6707 7.8087 7.8087 k = 0.0789 0.0206 0.0124 ( 18680 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7855 -6.7855 -6.6075 -6.6075 -2.2450 -2.2450 -1.0563 -1.0563 2.2213 2.2213 5.3750 5.3750 5.3878 5.3878 5.4857 5.4857 5.9746 5.9746 5.9965 5.9965 6.4661 6.4661 7.6462 7.6462 7.6629 7.6629 7.8093 7.8093 k = 0.0526 0.0137 0.0083 ( 18686 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7855 -6.7855 -6.6075 -6.6075 -2.2509 -2.2509 -1.0446 -1.0446 2.2015 2.2015 5.3708 5.3708 5.3836 5.3836 5.5749 5.5749 5.9819 5.9819 6.0036 6.0036 6.3946 6.3946 7.6389 7.6389 7.6568 7.6568 7.8204 7.8204 k = 0.0263 0.0069 0.0041 ( 18689 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7854 -6.7854 -6.6075 -6.6075 -2.2545 -2.2545 -1.0375 -1.0375 2.1895 2.1895 5.3683 5.3683 5.3811 5.3811 5.6385 5.6385 5.9866 5.9866 6.0080 6.0080 6.3407 6.3407 7.6343 7.6343 7.6528 7.6528 7.8370 7.8370 k = 0.0000 0.0000 0.0000 ( 18701 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7854 -6.7854 -6.6075 -6.6075 -2.2557 -2.2557 -1.0352 -1.0352 2.1854 2.1854 5.3675 5.3675 5.3802 5.3802 5.6623 5.6623 5.9883 5.9883 6.0094 6.0094 6.3200 6.3200 7.6327 7.6327 7.6515 7.6515 7.8468 7.8468 k = 0.0000 0.0000 0.0000 ( 18701 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7190 -8.7190 -6.7854 -6.7854 -6.6075 -6.6075 -2.2557 -2.2557 -1.0352 -1.0352 2.1854 2.1854 5.3675 5.3675 5.3802 5.3802 5.6623 5.6623 5.9883 5.9883 6.0094 6.0094 6.3200 6.3200 7.6327 7.6327 7.6515 7.6515 7.8468 7.8468 k = 0.0073-0.0130-0.0246 ( 18689 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1010 -22.1010 -8.7191 -8.7191 -6.7854 -6.7854 -6.6079 -6.6079 -2.2545 -2.2545 -1.0348 -1.0348 2.1871 2.1871 5.3604 5.3604 5.3745 5.3745 5.6612 5.6612 5.9805 5.9805 6.0033 6.0033 6.3219 6.3219 7.6340 7.6340 7.6544 7.6544 7.8515 7.8515 k = 0.0145-0.0260-0.0493 ( 18670 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1009 -22.1009 -8.7195 -8.7195 -6.7855 -6.7855 -6.6090 -6.6090 -2.2512 -2.2512 -1.0338 -1.0338 2.1920 2.1920 5.3351 5.3351 5.3622 5.3622 5.6578 5.6578 5.9518 5.9518 5.9914 5.9914 6.3274 6.3274 7.6328 7.6328 7.6665 7.6665 7.8671 7.8671 k = 0.0218-0.0389-0.0739 ( 18678 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1008 -22.1008 -8.7200 -8.7200 -6.7857 -6.7857 -6.6110 -6.6110 -2.2455 -2.2455 -1.0322 -1.0322 2.2002 2.2002 5.2917 5.2917 5.3447 5.3447 5.6518 5.6518 5.9024 5.9024 5.9765 5.9765 6.3359 6.3359 7.6280 7.6280 7.6841 7.6841 7.8969 7.8969 k = 0.0290-0.0519-0.0985 ( 18694 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5516 -36.5516 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1005 -22.1005 -8.7209 -8.7209 -6.7860 -6.7860 -6.6136 -6.6136 -2.2377 -2.2377 -1.0298 -1.0298 2.2117 2.2117 5.2338 5.2338 5.3203 5.3203 5.6430 5.6430 5.8383 5.8383 5.9565 5.9565 6.3469 6.3469 7.6220 7.6220 7.7005 7.7005 7.9430 7.9430 k = 0.0363-0.0649-0.1232 ( 18694 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.1003 -22.1003 -8.7219 -8.7219 -6.7863 -6.7863 -6.6170 -6.6170 -2.2276 -2.2276 -1.0269 -1.0269 2.2263 2.2263 5.1643 5.1643 5.2882 5.2882 5.6309 5.6309 5.7645 5.7645 5.9306 5.9306 6.3604 6.3604 7.6160 7.6160 7.7135 7.7135 8.0030 8.0030 k = 0.0435-0.0779-0.1478 ( 18708 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0999 -22.0999 -8.7232 -8.7232 -6.7867 -6.7867 -6.6210 -6.6210 -2.2153 -2.2153 -1.0233 -1.0233 2.2440 2.2440 5.0857 5.0857 5.2474 5.2474 5.6148 5.6148 5.6861 5.6861 5.8988 5.8988 6.3762 6.3762 7.6103 7.6103 7.7245 7.7245 8.0707 8.0707 k = 0.0508-0.0908-0.1725 ( 18706 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0995 -22.0995 -8.7246 -8.7246 -6.7872 -6.7872 -6.6256 -6.6256 -2.2009 -2.2009 -1.0191 -1.0191 2.2648 2.2648 5.0001 5.0001 5.1972 5.1972 5.5845 5.5845 5.6166 5.6166 5.8612 5.8612 6.3945 6.3945 7.6049 7.6049 7.7358 7.7358 8.1379 8.1379 k = 0.0581-0.1038-0.1971 ( 18712 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0990 -22.0990 -8.7263 -8.7263 -6.7879 -6.7879 -6.6308 -6.6308 -2.1843 -2.1843 -1.0143 -1.0143 2.2885 2.2885 4.9092 4.9092 5.1368 5.1368 5.5135 5.5135 5.5856 5.5856 5.8185 5.8185 6.4152 6.4152 7.5999 7.5999 7.7491 7.7491 8.1861 8.1861 k = 0.0653-0.1168-0.2217 ( 18720 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8280 -36.8280 -36.5516 -36.5516 -36.5466 -36.5466 -36.5409 -36.5409 -36.5382 -36.5382 -22.0985 -22.0985 -8.7282 -8.7282 -6.7887 -6.7887 -6.6365 -6.6365 -2.1656 -2.1656 -1.0089 -1.0089 2.3150 2.3150 4.8145 4.8145 5.0662 5.0662 5.4349 5.4349 5.5617 5.5617 5.7713 5.7713 6.4384 6.4384 7.5949 7.5949 7.7660 7.7660 8.1932 8.1932 k = 0.0726-0.1298-0.2464 ( 18732 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8280 -36.8280 -36.5515 -36.5515 -36.5466 -36.5466 -36.5408 -36.5408 -36.5382 -36.5382 -22.0979 -22.0979 -8.7303 -8.7303 -6.7896 -6.7896 -6.6427 -6.6427 -2.1449 -2.1449 -1.0030 -1.0030 2.3442 2.3442 4.7173 4.7173 4.9863 4.9863 5.3580 5.3580 5.5364 5.5364 5.7201 5.7201 6.4642 6.4642 7.5899 7.5899 7.7873 7.7873 8.1937 8.1937 k = 0.0798-0.1428-0.2710 ( 18740 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8281 -36.8281 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0973 -22.0973 -8.7325 -8.7325 -6.7907 -6.7907 -6.6491 -6.6491 -2.1222 -2.1222 -0.9966 -0.9966 2.3759 2.3759 4.6186 4.6186 4.8988 4.8988 5.2832 5.2832 5.5091 5.5091 5.6658 5.6658 6.4924 6.4924 7.5846 7.5846 7.8136 7.8136 8.1931 8.1931 k = 0.0871-0.1557-0.2956 ( 18740 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8282 -36.8282 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0967 -22.0967 -8.7350 -8.7350 -6.7920 -6.7920 -6.6559 -6.6559 -2.0975 -2.0975 -0.9898 -0.9898 2.4100 2.4100 4.5192 4.5192 4.8055 4.8055 5.2098 5.2098 5.4797 5.4797 5.6092 5.6092 6.5232 6.5232 7.5790 7.5790 7.8454 7.8454 8.1938 8.1938 k = 0.0943-0.1687-0.3203 ( 18754 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8283 -36.8283 -36.5514 -36.5514 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0959 -22.0959 -8.7376 -8.7376 -6.7934 -6.7934 -6.6628 -6.6628 -2.0709 -2.0709 -0.9826 -0.9826 2.4462 2.4462 4.4197 4.4197 4.7087 4.7087 5.1369 5.1369 5.4479 5.4479 5.5511 5.5511 6.5564 6.5564 7.5730 7.5730 7.8828 7.8828 8.1970 8.1970 k = 0.1016-0.1817-0.3449 ( 18750 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8364 -36.8364 -36.8283 -36.8283 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0952 -22.0952 -8.7403 -8.7403 -6.7952 -6.7952 -6.6699 -6.6699 -2.0425 -2.0425 -0.9749 -0.9749 2.4843 2.4843 4.3208 4.3208 4.6099 4.6099 5.0638 5.0638 5.4133 5.4133 5.4928 5.4928 6.5921 6.5921 7.5665 7.5665 7.9254 7.9254 8.2018 8.2018 k = 0.1088-0.1947-0.3696 ( 18752 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8363 -36.8363 -36.8284 -36.8284 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0944 -22.0944 -8.7432 -8.7432 -6.7971 -6.7971 -6.6770 -6.6770 -2.0124 -2.0124 -0.9670 -0.9670 2.5240 2.5240 4.2229 4.2229 4.5109 4.5109 4.9900 4.9900 5.3743 5.3743 5.4367 5.4367 6.6302 6.6302 7.5596 7.5596 7.9726 7.9726 8.1771 8.1771 k = 0.1161-0.2076-0.3942 ( 18752 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8362 -36.8362 -36.8285 -36.8285 -36.5513 -36.5513 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0937 -22.0937 -8.7461 -8.7461 -6.7994 -6.7994 -6.6840 -6.6840 -1.9805 -1.9805 -0.9588 -0.9588 2.5649 2.5649 4.1265 4.1265 4.4128 4.4128 4.9153 4.9153 5.3279 5.3279 5.3862 5.3862 6.6707 6.6707 7.5524 7.5524 8.0209 8.0209 8.1400 8.1400 k = 0.1234-0.2206-0.4188 ( 18762 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8361 -36.8361 -36.8286 -36.8286 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0928 -22.0928 -8.7492 -8.7492 -6.8019 -6.8019 -6.6909 -6.6909 -1.9471 -1.9471 -0.9504 -0.9504 2.6066 2.6066 4.0319 4.0319 4.3166 4.3166 4.8396 4.8396 5.2735 5.2735 5.3428 5.3428 6.7135 6.7135 7.5450 7.5450 8.0448 8.0448 8.1246 8.1246 k = 0.1306-0.2336-0.4435 ( 18760 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8360 -36.8360 -36.8287 -36.8287 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0920 -22.0920 -8.7524 -8.7524 -6.8048 -6.8048 -6.6976 -6.6976 -1.9121 -1.9121 -0.9418 -0.9418 2.6485 2.6485 3.9394 3.9394 4.2236 4.2236 4.7630 4.7630 5.2140 5.2140 5.3041 5.3041 6.7586 6.7586 7.5376 7.5376 8.0061 8.0061 8.1696 8.1696 k = 0.1379-0.2466-0.4681 ( 18780 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8359 -36.8359 -36.8289 -36.8289 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0912 -22.0912 -8.7556 -8.7556 -6.8079 -6.8079 -6.7040 -6.7040 -1.8756 -1.8756 -0.9331 -0.9331 2.6899 2.6899 3.8492 3.8492 4.1346 4.1346 4.6857 4.6857 5.1523 5.1523 5.2676 5.2676 6.8060 6.8060 7.5303 7.5303 7.9457 7.9457 8.2342 8.2342 k = 0.1451-0.2596-0.4927 ( 18786 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8358 -36.8358 -36.8290 -36.8290 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0903 -22.0903 -8.7589 -8.7589 -6.8114 -6.8114 -6.7102 -6.7102 -1.8379 -1.8379 -0.9245 -0.9245 2.7300 2.7300 3.7617 3.7617 4.0510 4.0510 4.6077 4.6077 5.0900 5.0900 5.2325 5.2325 6.8556 6.8556 7.5233 7.5233 7.8775 7.8775 8.3045 8.3045 k = 0.1524-0.2725-0.5174 ( 18794 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8357 -36.8357 -36.8291 -36.8291 -36.5512 -36.5512 -36.5470 -36.5470 -36.5409 -36.5409 -36.5382 -36.5382 -22.0895 -22.0895 -8.7622 -8.7622 -6.8151 -6.8151 -6.7160 -6.7160 -1.7989 -1.7989 -0.9159 -0.9159 2.7675 2.7675 3.6771 3.6771 3.9741 3.9741 4.5293 4.5293 5.0278 5.0278 5.1984 5.1984 6.9073 6.9073 7.5168 7.5168 7.8044 7.8044 8.3699 8.3699 k = 0.1596-0.2855-0.5420 ( 18788 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8356 -36.8356 -36.8292 -36.8292 -36.5511 -36.5511 -36.5470 -36.5470 -36.5409 -36.5409 -36.5382 -36.5382 -22.0886 -22.0886 -8.7655 -8.7655 -6.8192 -6.8192 -6.7214 -6.7214 -1.7588 -1.7588 -0.9074 -0.9074 2.8010 2.8010 3.5954 3.5954 3.9054 3.9054 4.4507 4.4507 4.9660 4.9660 5.1652 5.1652 6.9610 6.9610 7.5109 7.5109 7.7277 7.7277 8.4157 8.4157 k = 0.1669-0.2985-0.5667 ( 18794 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8355 -36.8355 -36.8294 -36.8294 -36.5511 -36.5511 -36.5470 -36.5470 -36.5409 -36.5409 -36.5382 -36.5382 -22.0878 -22.0878 -8.7687 -8.7687 -6.8234 -6.8234 -6.7266 -6.7266 -1.7177 -1.7177 -0.8992 -0.8992 2.8289 2.8289 3.5170 3.5170 3.8468 3.8468 4.3723 4.3723 4.9051 4.9051 5.1332 5.1332 7.0167 7.0167 7.5056 7.5056 7.6488 7.6488 8.4610 8.4610 k = 0.1742-0.3115-0.5913 ( 18794 PWs) bands (ev): -69.8790 -69.8790 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8354 -36.8354 -36.8295 -36.8295 -36.5511 -36.5511 -36.5470 -36.5470 -36.5410 -36.5410 -36.5382 -36.5382 -22.0869 -22.0869 -8.7720 -8.7720 -6.8277 -6.8277 -6.7314 -6.7314 -1.6757 -1.6757 -0.8912 -0.8912 2.8490 2.8490 3.4419 3.4419 3.8004 3.8004 4.2942 4.2942 4.8453 4.8453 5.1023 5.1023 7.0741 7.0741 7.5007 7.5007 7.5692 7.5692 8.5090 8.5090 k = 0.1814-0.3244-0.6159 ( 18794 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8353 -36.8353 -36.8296 -36.8296 -36.5511 -36.5511 -36.5470 -36.5470 -36.5410 -36.5410 -36.5382 -36.5382 -22.0861 -22.0861 -8.7752 -8.7752 -6.8322 -6.8322 -6.7358 -6.7358 -1.6330 -1.6330 -0.8836 -0.8836 2.8597 2.8597 3.3703 3.3703 3.7678 3.7678 4.2167 4.2167 4.7867 4.7867 5.0728 5.0728 7.1327 7.1327 7.4809 7.4809 7.5053 7.5053 8.5598 8.5598 k = 0.1887-0.3374-0.6406 ( 18782 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8352 -36.8352 -36.8298 -36.8298 -36.5510 -36.5510 -36.5470 -36.5470 -36.5411 -36.5411 -36.5381 -36.5381 -22.0853 -22.0853 -8.7783 -8.7783 -6.8366 -6.8366 -6.7401 -6.7401 -1.5898 -1.5898 -0.8765 -0.8765 2.8597 2.8597 3.3023 3.3023 3.7502 3.7502 4.1402 4.1402 4.7294 4.7294 5.0447 5.0447 7.1911 7.1911 7.4069 7.4069 7.4987 7.4987 8.6130 8.6130 k = 0.1959-0.3504-0.6652 ( 18794 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8350 -36.8350 -36.8299 -36.8299 -36.5510 -36.5510 -36.5470 -36.5470 -36.5411 -36.5411 -36.5381 -36.5381 -22.0845 -22.0845 -8.7813 -8.7813 -6.8410 -6.8410 -6.7441 -6.7441 -1.5462 -1.5462 -0.8699 -0.8699 2.8489 2.8489 3.2381 3.2381 3.7473 3.7473 4.0653 4.0653 4.6737 4.6737 5.0181 5.0181 7.2397 7.2397 7.3405 7.3405 7.4977 7.4977 8.6683 8.6683 k = 0.2032-0.3634-0.6898 ( 18800 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8349 -36.8349 -36.8300 -36.8300 -36.5510 -36.5510 -36.5470 -36.5470 -36.5412 -36.5412 -36.5381 -36.5381 -22.0838 -22.0838 -8.7843 -8.7843 -6.8453 -6.8453 -6.7479 -6.7479 -1.5024 -1.5024 -0.8640 -0.8640 2.8283 2.8283 3.1777 3.1777 3.7569 3.7569 3.9934 3.9934 4.6197 4.6197 4.9931 4.9931 7.2186 7.2186 7.3459 7.3459 7.4984 7.4984 8.7251 8.7251 k = 0.2104-0.3764-0.7145 ( 18806 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8348 -36.8348 -36.8302 -36.8302 -36.5510 -36.5510 -36.5470 -36.5470 -36.5413 -36.5413 -36.5380 -36.5380 -22.0830 -22.0830 -8.7871 -8.7871 -6.8494 -6.8494 -6.7515 -6.7515 -1.4586 -1.4586 -0.8588 -0.8588 2.8001 2.8001 3.1213 3.1213 3.7727 3.7727 3.9289 3.9289 4.5674 4.5674 4.9699 4.9699 7.1480 7.1480 7.4035 7.4035 7.5007 7.5007 8.7826 8.7826 k = 0.2177-0.3893-0.7391 ( 18812 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8346 -36.8346 -36.8303 -36.8303 -36.5510 -36.5510 -36.5469 -36.5469 -36.5413 -36.5413 -36.5380 -36.5380 -22.0824 -22.0824 -8.7897 -8.7897 -6.8533 -6.8533 -6.7550 -6.7550 -1.4149 -1.4149 -0.8543 -0.8543 2.7664 2.7664 3.0689 3.0689 3.7744 3.7744 3.8899 3.8899 4.5170 4.5170 4.9484 4.9484 7.0725 7.0725 7.4688 7.4688 7.5048 7.5048 8.8399 8.8399 k = 0.2249-0.4023-0.7638 ( 18818 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8345 -36.8345 -36.8305 -36.8305 -36.5510 -36.5510 -36.5469 -36.5469 -36.5414 -36.5414 -36.5380 -36.5380 -22.0817 -22.0817 -8.7922 -8.7922 -6.8569 -6.8569 -6.7585 -6.7585 -1.3717 -1.3717 -0.8507 -0.8507 2.7296 2.7296 3.0206 3.0206 3.7342 3.7342 3.9020 3.9020 4.4686 4.4686 4.9286 4.9286 6.9975 6.9975 7.5096 7.5096 7.5375 7.5375 8.8955 8.8955 k = 0.2322-0.4153-0.7884 ( 18816 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8344 -36.8344 -36.8306 -36.8306 -36.5510 -36.5510 -36.5469 -36.5469 -36.5415 -36.5415 -36.5380 -36.5380 -22.0811 -22.0811 -8.7946 -8.7946 -6.8602 -6.8602 -6.7618 -6.7618 -1.3290 -1.3290 -0.8480 -0.8480 2.6914 2.6914 2.9765 2.9765 3.6734 3.6734 3.9422 3.9422 4.4222 4.4222 4.9107 4.9107 6.9243 6.9243 7.5171 7.5171 7.6065 7.6065 8.9478 8.9478 k = 0.2395-0.4283-0.8130 ( 18828 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8342 -36.8342 -36.8308 -36.8308 -36.5510 -36.5510 -36.5468 -36.5468 -36.5416 -36.5416 -36.5379 -36.5379 -22.0805 -22.0805 -8.7968 -8.7968 -6.8631 -6.8631 -6.7650 -6.7650 -1.2873 -1.2873 -0.8463 -0.8463 2.6534 2.6534 2.9366 2.9366 3.6085 3.6085 3.9925 3.9925 4.3780 4.3780 4.8947 4.8947 6.8535 6.8535 7.5261 7.5261 7.6764 7.6764 8.9946 8.9946 k = 0.2467-0.4412-0.8377 ( 18810 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5510 -36.5510 -36.5468 -36.5468 -36.5416 -36.5416 -36.5379 -36.5379 -22.0800 -22.0800 -8.7988 -8.7988 -6.8656 -6.8656 -6.7682 -6.7682 -1.2466 -1.2466 -0.8456 -0.8456 2.6168 2.6168 2.9008 2.9008 3.5437 3.5437 4.0475 4.0475 4.3362 4.3362 4.8804 4.8804 6.7855 6.7855 7.5369 7.5369 7.7464 7.7464 9.0339 9.0339 k = 0.2540-0.4542-0.8623 ( 18810 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5510 -36.5510 -36.5467 -36.5467 -36.5417 -36.5417 -36.5379 -36.5379 -22.0795 -22.0795 -8.8006 -8.8006 -6.8678 -6.8678 -6.7714 -6.7714 -1.2072 -1.2072 -0.8460 -0.8460 2.5825 2.5825 2.8692 2.8692 3.4801 3.4801 4.1048 4.1048 4.2970 4.2970 4.8679 4.8679 6.7207 6.7207 7.5494 7.5494 7.8157 7.8157 9.0641 9.0641 k = 0.2612-0.4672-0.8869 ( 18802 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8338 -36.8338 -36.8312 -36.8312 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0791 -22.0791 -8.8023 -8.8023 -6.8696 -6.8696 -6.7744 -6.7744 -1.1694 -1.1694 -0.8474 -0.8474 2.5510 2.5510 2.8416 2.8416 3.4185 3.4185 4.1624 4.1624 4.2611 4.2611 4.8572 4.8572 6.6592 6.6592 7.5637 7.5637 7.8836 7.8836 9.0847 9.0847 k = 0.2685-0.4802-0.9116 ( 18810 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8313 -36.8313 -36.5510 -36.5510 -36.5466 -36.5466 -36.5419 -36.5419 -36.5378 -36.5378 -22.0787 -22.0787 -8.8038 -8.8038 -6.8709 -6.8709 -6.7774 -6.7774 -1.1334 -1.1334 -0.8499 -0.8499 2.5229 2.5229 2.8181 2.8181 3.3594 3.3594 4.2074 4.2074 4.2405 4.2405 4.8482 4.8482 6.6015 6.6015 7.5798 7.5798 7.9489 7.9489 9.0964 9.0964 k = 0.2757-0.4932-0.9362 ( 18814 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8336 -36.8336 -36.8315 -36.8315 -36.5511 -36.5511 -36.5466 -36.5466 -36.5419 -36.5419 -36.5378 -36.5378 -22.0783 -22.0783 -8.8050 -8.8050 -6.8720 -6.8720 -6.7803 -6.7803 -1.0994 -1.0994 -0.8535 -0.8535 2.4984 2.4984 2.7985 2.7985 3.3032 3.3032 4.1886 4.1886 4.2856 4.2856 4.8408 4.8408 6.5477 6.5477 7.5976 7.5976 8.0101 8.0101 9.1010 9.1010 k = 0.2830-0.5061-0.9609 ( 18820 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8334 -36.8334 -36.8316 -36.8316 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5378 -36.5378 -22.0780 -22.0780 -8.8062 -8.8062 -6.8726 -6.8726 -6.7830 -6.7830 -1.0677 -1.0677 -0.8582 -0.8582 2.4774 2.4774 2.7827 2.7827 3.2505 3.2505 4.1607 4.1607 4.3408 4.3408 4.8350 4.8350 6.4981 6.4981 7.6170 7.6170 8.0656 8.0656 9.1004 9.1004 k = 0.2903-0.5191-0.9855 ( 18820 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8333 -36.8333 -36.8318 -36.8318 -36.5511 -36.5511 -36.5465 -36.5465 -36.5421 -36.5421 -36.5377 -36.5377 -22.0778 -22.0778 -8.8071 -8.8071 -6.8730 -6.8730 -6.7856 -6.7856 -1.0383 -1.0383 -0.8639 -0.8639 2.4601 2.4601 2.7704 2.7704 3.2016 3.2016 4.1348 4.1348 4.3945 4.3945 4.8307 4.8307 6.4528 6.4528 7.6379 7.6379 8.1131 8.1131 9.0966 9.0966 k = 0.2975-0.5321-1.0101 ( 18806 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8332 -36.8332 -36.8319 -36.8319 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0775 -22.0775 -8.8078 -8.8078 -6.8731 -6.8731 -6.7880 -6.7880 -1.0115 -1.0115 -0.8705 -0.8705 2.4459 2.4459 2.7614 2.7614 3.1575 3.1575 4.1118 4.1118 4.4454 4.4454 4.8277 4.8277 6.4118 6.4118 7.6603 7.6603 8.1505 8.1505 9.0917 9.0917 k = 0.3048-0.5451-1.0348 ( 18790 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8330 -36.8330 -36.8320 -36.8320 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0774 -22.0774 -8.8084 -8.8084 -6.8730 -6.8730 -6.7901 -6.7901 -0.9875 -0.9875 -0.8780 -0.8780 2.4343 2.4343 2.7556 2.7556 3.1188 3.1188 4.0919 4.0919 4.4924 4.4924 4.8261 4.8261 6.3752 6.3752 7.6839 7.6839 8.1762 8.1762 9.0875 9.0875 k = 0.3120-0.5580-1.0594 ( 18780 PWs) bands (ev): -69.8784 -69.8784 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8329 -36.8329 -36.8322 -36.8322 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8089 -8.8089 -6.8728 -6.8728 -6.7918 -6.7918 -0.9662 -0.9662 -0.8863 -0.8863 2.4246 2.4246 2.7526 2.7526 3.0865 3.0865 4.0754 4.0754 4.5352 4.5352 4.8256 4.8256 6.3428 6.3428 7.7085 7.7085 8.1898 8.1898 9.0844 9.0844 k = 0.3193-0.5710-1.0840 ( 18786 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8328 -36.8328 -36.8323 -36.8323 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8092 -8.8092 -6.8725 -6.8725 -6.7931 -6.7931 -0.9480 -0.9480 -0.8952 -0.8952 2.4158 2.4158 2.7521 2.7521 3.0618 3.0618 4.0625 4.0625 4.5730 4.5730 4.8261 4.8261 6.3143 6.3143 7.7340 7.7340 8.1923 8.1923 9.0821 9.0821 k = 0.3265-0.5840-1.1087 ( 18802 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8326 -36.8326 -36.8324 -36.8324 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8723 -6.8723 -6.7940 -6.7940 -0.9333 -0.9333 -0.9039 -0.9039 2.4067 2.4067 2.7538 2.7538 3.0458 3.0458 4.0532 4.0532 4.6057 4.6057 4.8276 4.8276 6.2891 6.2891 7.7599 7.7599 8.1866 8.1866 9.0806 9.0806 k = 0.3338-0.5970-1.1333 ( 18796 PWs) bands (ev): -69.8783 -69.8783 -69.8783 -69.8783 -40.1208 -40.1208 -40.1205 -40.1205 -36.8326 -36.8326 -36.8325 -36.8325 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8722 -6.8722 -6.7943 -6.7943 -0.9259 -0.9259 -0.9087 -0.9087 2.3963 2.3963 2.7574 2.7574 3.0396 3.0396 4.0479 4.0479 4.6331 4.6331 4.8298 4.8298 6.2664 6.2664 7.7861 7.7861 8.1760 8.1760 9.0790 9.0790 k = 0.3411-0.6100-1.1580 ( 18802 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8327 -36.8327 -36.8324 -36.8324 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8724 -6.8724 -6.7939 -6.7939 -0.9315 -0.9315 -0.9037 -0.9037 2.3838 2.3838 2.7625 2.7625 3.0439 3.0439 4.0466 4.0466 4.6551 4.6551 4.8325 4.8325 6.2456 6.2456 7.8120 7.8120 8.1641 8.1641 9.0505 9.0505 k = 0.6589-0.4797-1.0793 ( 18802 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8327 -36.8327 -36.8324 -36.8324 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0771 -22.0771 -8.8094 -8.8094 -6.8724 -6.8724 -6.7939 -6.7939 -0.9315 -0.9315 -0.9037 -0.9037 2.3838 2.3838 2.7625 2.7625 3.0439 3.0439 4.0466 4.0466 4.6551 4.6551 4.8325 4.8325 6.2456 6.2456 7.8120 7.8120 8.1641 8.1641 9.0505 9.0505 k = 0.6517-0.4519-1.0793 ( 18802 PWs) bands (ev): -69.8783 -69.8783 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8328 -36.8328 -36.8323 -36.8323 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8092 -8.8092 -6.8728 -6.8728 -6.7930 -6.7930 -0.9418 -0.9418 -0.8968 -0.8968 2.3687 2.3687 2.7686 2.7686 3.0589 3.0589 4.0495 4.0495 4.6720 4.6720 4.8357 4.8357 6.2255 6.2255 7.8372 7.8372 8.1539 8.1539 8.9428 8.9428 k = 0.6445-0.4242-1.0793 ( 18804 PWs) bands (ev): -69.8784 -69.8784 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8329 -36.8329 -36.8322 -36.8322 -36.5511 -36.5511 -36.5463 -36.5463 -36.5422 -36.5422 -36.5377 -36.5377 -22.0772 -22.0772 -8.8090 -8.8090 -6.8735 -6.8735 -6.7913 -6.7913 -0.9531 -0.9531 -0.8914 -0.8914 2.3509 2.3509 2.7755 2.7755 3.0847 3.0847 4.0567 4.0567 4.6840 4.6840 4.8391 4.8391 6.2053 6.2053 7.8612 7.8612 8.1473 8.1473 8.8188 8.8188 k = 0.6373-0.3965-1.0793 ( 18798 PWs) bands (ev): -69.8784 -69.8784 -69.8782 -69.8782 -40.1208 -40.1208 -40.1205 -40.1205 -36.8330 -36.8330 -36.8321 -36.8321 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0773 -22.0773 -8.8087 -8.8087 -6.8745 -6.8745 -6.7891 -6.7891 -0.9649 -0.9649 -0.8879 -0.8879 2.3307 2.3307 2.7828 2.7828 3.1206 3.1206 4.0682 4.0682 4.6918 4.6918 4.8426 4.8426 6.1839 6.1839 7.8835 7.8835 8.1444 8.1444 8.6929 8.6929 k = 0.6300-0.3688-1.0793 ( 18814 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8331 -36.8331 -36.8320 -36.8320 -36.5511 -36.5511 -36.5464 -36.5464 -36.5421 -36.5421 -36.5377 -36.5377 -22.0775 -22.0775 -8.8083 -8.8083 -6.8758 -6.8758 -6.7862 -6.7862 -0.9769 -0.9769 -0.8862 -0.8862 2.3087 2.3087 2.7903 2.7903 3.1658 3.1658 4.0840 4.0840 4.6957 4.6957 4.8462 4.8462 6.1607 6.1607 7.9034 7.9034 8.1422 8.1422 8.5723 8.5723 k = 0.6228-0.3410-1.0793 ( 18810 PWs) bands (ev): -69.8784 -69.8784 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8332 -36.8332 -36.8319 -36.8319 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5377 -36.5377 -22.0776 -22.0776 -8.8079 -8.8079 -6.8773 -6.8773 -6.7828 -6.7828 -0.9889 -0.9889 -0.8862 -0.8862 2.2854 2.2854 2.7976 2.7976 3.2195 3.2195 4.1042 4.1042 4.6962 4.6962 4.8497 4.8497 6.1352 6.1352 7.9203 7.9203 8.1298 8.1298 8.4702 8.4702 k = 0.6156-0.3133-1.0793 ( 18810 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8333 -36.8333 -36.8318 -36.8318 -36.5511 -36.5511 -36.5465 -36.5465 -36.5420 -36.5420 -36.5378 -36.5378 -22.0777 -22.0777 -8.8075 -8.8075 -6.8791 -6.8791 -6.7791 -6.7791 -1.0008 -1.0008 -0.8875 -0.8875 2.2613 2.2613 2.8046 2.8046 3.2808 3.2808 4.1285 4.1285 4.6939 4.6939 4.8530 4.8530 6.1073 6.1073 7.9331 7.9331 8.0849 8.0849 8.4103 8.4103 k = 0.6084-0.2856-1.0793 ( 18800 PWs) bands (ev): -69.8785 -69.8785 -69.8781 -69.8781 -40.1208 -40.1208 -40.1205 -40.1205 -36.8334 -36.8334 -36.8317 -36.8317 -36.5510 -36.5510 -36.5466 -36.5466 -36.5419 -36.5419 -36.5378 -36.5378 -22.0779 -22.0779 -8.8070 -8.8070 -6.8809 -6.8809 -6.7750 -6.7750 -1.0125 -1.0125 -0.8901 -0.8901 2.2371 2.2371 2.8111 2.8111 3.3486 3.3486 4.1568 4.1568 4.6894 4.6894 4.8561 4.8561 6.0770 6.0770 7.9381 7.9381 7.9988 7.9988 8.4051 8.4051 k = 0.6011-0.2579-1.0793 ( 18806 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8335 -36.8335 -36.8316 -36.8316 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0781 -22.0781 -8.8065 -8.8065 -6.8829 -6.8829 -6.7706 -6.7706 -1.0240 -1.0240 -0.8937 -0.8937 2.2132 2.2132 2.8170 2.8170 3.4221 3.4221 4.1887 4.1887 4.6830 4.6830 4.8587 4.8587 6.0448 6.0448 7.8687 7.8687 7.9542 7.9542 8.4379 8.4379 k = 0.5939-0.2301-1.0793 ( 18798 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8335 -36.8335 -36.8315 -36.8315 -36.5510 -36.5510 -36.5467 -36.5467 -36.5418 -36.5418 -36.5378 -36.5378 -22.0783 -22.0783 -8.8061 -8.8061 -6.8850 -6.8850 -6.7661 -6.7661 -1.0350 -1.0350 -0.8980 -0.8980 2.1899 2.1899 2.8222 2.8222 3.5005 3.5005 4.2240 4.2240 4.6754 4.6754 4.8608 4.8608 6.0111 6.0111 7.7411 7.7411 7.9508 7.9508 8.4926 8.4926 k = 0.5867-0.2024-1.0793 ( 18790 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8336 -36.8336 -36.8314 -36.8314 -36.5510 -36.5510 -36.5468 -36.5468 -36.5417 -36.5417 -36.5379 -36.5379 -22.0784 -22.0784 -8.8056 -8.8056 -6.8870 -6.8870 -6.7616 -6.7616 -1.0456 -1.0456 -0.9030 -0.9030 2.1675 2.1675 2.8267 2.8267 3.5828 3.5828 4.2622 4.2622 4.6668 4.6668 4.8623 4.8623 5.9765 5.9765 7.6070 7.6070 7.9440 7.9440 8.5614 8.5614 k = 0.5795-0.1747-1.0793 ( 18808 PWs) bands (ev): -69.8785 -69.8785 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8314 -36.8314 -36.5509 -36.5509 -36.5469 -36.5469 -36.5416 -36.5416 -36.5379 -36.5379 -22.0786 -22.0786 -8.8051 -8.8051 -6.8890 -6.8890 -6.7571 -6.7571 -1.0556 -1.0556 -0.9083 -0.9083 2.1463 2.1463 2.8306 2.8306 3.6682 3.6682 4.3027 4.3027 4.6577 4.6577 4.8629 4.8629 5.9416 5.9416 7.4718 7.4718 7.9318 7.9318 8.6407 8.6407 k = 0.5722-0.1470-1.0793 ( 18788 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8337 -36.8337 -36.8313 -36.8313 -36.5509 -36.5509 -36.5469 -36.5469 -36.5415 -36.5415 -36.5379 -36.5379 -22.0788 -22.0788 -8.8047 -8.8047 -6.8909 -6.8909 -6.7527 -6.7527 -1.0650 -1.0650 -0.9137 -0.9137 2.1264 2.1264 2.8338 2.8338 3.7557 3.7557 4.3450 4.3450 4.6485 4.6485 4.8625 4.8625 5.9070 5.9070 7.3381 7.3381 7.9143 7.9143 8.7280 8.7280 k = 0.5650-0.1192-1.0793 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8338 -36.8338 -36.8312 -36.8312 -36.5509 -36.5509 -36.5470 -36.5470 -36.5414 -36.5414 -36.5380 -36.5380 -22.0790 -22.0790 -8.8042 -8.8042 -6.8928 -6.8928 -6.7484 -6.7484 -1.0737 -1.0737 -0.9192 -0.9192 2.1081 2.1081 2.8364 2.8364 3.8443 3.8443 4.3886 4.3886 4.6394 4.6394 4.8608 4.8608 5.8733 5.8733 7.2076 7.2076 7.8919 7.8919 8.8218 8.8218 k = 0.5578-0.0915-1.0793 ( 18786 PWs) bands (ev): -69.8786 -69.8786 -69.8780 -69.8780 -40.1208 -40.1208 -40.1205 -40.1205 -36.8338 -36.8338 -36.8312 -36.8312 -36.5509 -36.5509 -36.5471 -36.5471 -36.5414 -36.5414 -36.5380 -36.5380 -22.0791 -22.0791 -8.8039 -8.8039 -6.8945 -6.8945 -6.7445 -6.7445 -1.0816 -1.0816 -0.9245 -0.9245 2.0914 2.0914 2.8385 2.8385 3.9327 3.9327 4.4326 4.4326 4.6306 4.6306 4.8578 4.8578 5.8409 5.8409 7.0820 7.0820 7.8657 7.8657 8.9205 8.9205 k = 0.5506-0.0638-1.0793 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8339 -36.8339 -36.8311 -36.8311 -36.5508 -36.5508 -36.5471 -36.5471 -36.5413 -36.5413 -36.5380 -36.5380 -22.0793 -22.0793 -8.8035 -8.8035 -6.8960 -6.8960 -6.7408 -6.7408 -1.0887 -1.0887 -0.9295 -0.9295 2.0764 2.0764 2.8401 2.8401 4.0194 4.0194 4.4765 4.4765 4.6224 4.6224 4.8531 4.8531 5.8105 5.8105 6.9629 6.9629 7.8369 7.8369 9.0225 9.0225 k = 0.5433-0.0361-1.0793 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8339 -36.8339 -36.8311 -36.8311 -36.5508 -36.5508 -36.5472 -36.5472 -36.5412 -36.5412 -36.5381 -36.5381 -22.0794 -22.0794 -8.8032 -8.8032 -6.8974 -6.8974 -6.7375 -6.7375 -1.0950 -1.0950 -0.9341 -0.9341 2.0633 2.0633 2.8414 2.8414 4.1028 4.1028 4.5195 4.5195 4.6150 4.6150 4.8466 4.8466 5.7822 5.7822 6.8524 6.8524 7.8072 7.8072 9.1253 9.1253 k = 0.5361-0.0083-1.0793 ( 18794 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5472 -36.5472 -36.5412 -36.5412 -36.5381 -36.5381 -22.0795 -22.0795 -8.8029 -8.8029 -6.8986 -6.8986 -6.7347 -6.7347 -1.1003 -1.1003 -0.9382 -0.9382 2.0521 2.0521 2.8423 2.8423 4.1807 4.1807 4.5607 4.5607 4.6085 4.6085 4.8381 4.8381 5.7566 5.7566 6.7526 6.7526 7.7783 7.7783 9.2100 9.2100 k = 0.5289 0.0194-1.0793 ( 18786 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0796 -22.0796 -8.8027 -8.8027 -6.8996 -6.8996 -6.7322 -6.7322 -1.1048 -1.1048 -0.9417 -0.9417 2.0429 2.0429 2.8430 2.8430 4.2507 4.2507 4.5959 4.5959 4.6067 4.6067 4.8274 4.8274 5.7341 5.7341 6.6658 6.6658 7.7519 7.7519 9.2199 9.2199 k = 0.5217 0.0471-1.0793 ( 18790 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0797 -22.0797 -8.8025 -8.8025 -6.9004 -6.9004 -6.7303 -6.7303 -1.1083 -1.1083 -0.9445 -0.9445 2.0357 2.0357 2.8435 2.8435 4.3100 4.3100 4.5966 4.5966 4.6371 4.6371 4.8146 4.8146 5.7154 5.7154 6.5946 6.5946 7.7295 7.7295 9.2164 9.2164 k = 0.5144 0.0748-1.0793 ( 18774 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0797 -22.0797 -8.8024 -8.8024 -6.9010 -6.9010 -6.7289 -6.7289 -1.1108 -1.1108 -0.9465 -0.9465 2.0305 2.0305 2.8438 2.8438 4.3554 4.3554 4.5933 4.5933 4.6681 4.6681 4.8004 4.8004 5.7010 5.7010 6.5415 6.5415 7.7124 7.7124 9.2132 9.2132 k = 0.5072 0.1026-1.0793 ( 18768 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5473 -36.5473 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8023 -8.8023 -6.9013 -6.9013 -6.7281 -6.7281 -1.1123 -1.1123 -0.9477 -0.9477 2.0274 2.0274 2.8439 2.8439 4.3842 4.3842 4.5910 4.5910 4.6920 4.6920 4.7870 4.7870 5.6920 5.6920 6.5087 6.5087 7.7018 7.7018 9.2112 9.2112 k = 0.5000 0.1303-1.0793 ( 18768 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8023 -8.8023 -6.9014 -6.9014 -6.7278 -6.7278 -1.1128 -1.1128 -0.9481 -0.9481 2.0263 2.0263 2.8440 2.8440 4.3941 4.3941 4.5902 4.5902 4.7019 4.7019 4.7806 4.7806 5.6889 5.6889 6.4976 6.4976 7.6982 7.6982 9.2106 9.2106 k = 0.5000 0.1303-1.0793 ( 18768 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8023 -8.8023 -6.9014 -6.9014 -6.7278 -6.7278 -1.1128 -1.1128 -0.9481 -0.9481 2.0263 2.0263 2.8440 2.8440 4.3941 4.3941 4.5902 4.5902 4.7019 4.7019 4.7806 4.7806 5.6889 5.6889 6.4976 6.4976 7.6982 7.6982 9.2106 9.2106 k = 0.5227 0.1362-1.0681 ( 18766 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8023 -8.8023 -6.9014 -6.9014 -6.7278 -6.7278 -1.1156 -1.1156 -0.9452 -0.9452 2.0275 2.0275 2.8415 2.8415 4.3919 4.3919 4.5896 4.5896 4.7014 4.7014 4.7838 4.7838 5.6929 5.6929 6.4998 6.4998 7.6991 7.6991 9.1975 9.1975 k = 0.5454 0.1421-1.0569 ( 18769 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9013 -6.9013 -6.7278 -6.7278 -1.1236 -1.1236 -0.9370 -0.9370 2.0312 2.0312 2.8341 2.8341 4.3856 4.3856 4.5860 4.5860 4.7018 4.7018 4.7931 4.7931 5.7046 5.7046 6.5066 6.5066 7.7020 7.7020 9.1611 9.1611 k = 0.5681 0.1480-1.0456 ( 18778 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9012 -6.9012 -6.7278 -6.7278 -1.1353 -1.1353 -0.9250 -0.9250 2.0372 2.0372 2.8221 2.8221 4.3757 4.3757 4.5756 4.5756 4.7073 4.7073 4.8077 4.8077 5.7233 5.7233 6.5179 6.5179 7.7067 7.7067 9.1079 9.1079 k = 0.5908 0.1540-1.0344 ( 18780 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8021 -8.8021 -6.9011 -6.9011 -6.7278 -6.7278 -1.1494 -1.1494 -0.9105 -0.9105 2.0456 2.0456 2.8062 2.8062 4.3632 4.3632 4.5558 4.5558 4.7210 4.7210 4.8266 4.8266 5.7479 5.7479 6.5336 6.5336 7.7136 7.7136 9.0439 9.0439 k = 0.6135 0.1599-1.0232 ( 18779 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8020 -8.8020 -6.9009 -6.9009 -6.7278 -6.7278 -1.1649 -1.1649 -0.8946 -0.8946 2.0563 2.0563 2.7870 2.7870 4.3490 4.3490 4.5272 4.5272 4.7426 4.7426 4.8489 4.8489 5.7771 5.7771 6.5537 6.5537 7.7228 7.7228 8.9737 8.9737 k = 0.6362 0.1658-1.0119 ( 18780 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8019 -8.8019 -6.9006 -6.9006 -6.7278 -6.7278 -1.1810 -1.1810 -0.8781 -0.8781 2.0694 2.0694 2.7652 2.7652 4.3336 4.3336 4.4918 4.4918 4.7700 4.7700 4.8738 4.8738 5.8096 5.8096 6.5780 6.5780 7.7344 7.7344 8.9005 8.9005 k = 0.6589 0.1717-1.0007 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0799 -22.0799 -8.8018 -8.8018 -6.9003 -6.9003 -6.7277 -6.7277 -1.1973 -1.1973 -0.8617 -0.8617 2.0848 2.0848 2.7418 2.7418 4.3179 4.3179 4.4516 4.4516 4.8013 4.8013 4.9005 4.9005 5.8444 5.8444 6.6063 6.6063 7.7488 7.7488 8.8262 8.8262 k = 0.6589 0.1717-1.0007 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0799 -22.0799 -8.8018 -8.8018 -6.9003 -6.9003 -6.7277 -6.7277 -1.1973 -1.1973 -0.8617 -0.8617 2.0848 2.0848 2.7418 2.7418 4.3179 4.3179 4.4516 4.4516 4.8013 4.8013 4.9005 4.9005 5.8444 5.8444 6.6063 6.6063 7.7488 7.7488 8.8262 8.8262 k = 0.6548 0.1706-0.9723 ( 18782 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5381 -36.5381 -22.0800 -22.0800 -8.8011 -8.8011 -6.8989 -6.8989 -6.7277 -6.7277 -1.2141 -1.2141 -0.8544 -0.8544 2.0937 2.0937 2.7360 2.7360 4.3246 4.3246 4.4532 4.4532 4.8519 4.8519 4.9052 4.9052 5.8195 5.8195 6.6079 6.6079 7.7593 7.7593 8.8171 8.8171 k = 0.6506 0.1695-0.9439 ( 18788 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8342 -36.8342 -36.8308 -36.8308 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0803 -22.0803 -8.8002 -8.8002 -6.8969 -6.8969 -6.7277 -6.7277 -1.2342 -1.2342 -0.8493 -0.8493 2.1105 2.1105 2.7337 2.7337 4.3335 4.3335 4.4527 4.4527 4.8930 4.8930 4.9210 4.9210 5.8001 5.8001 6.6137 6.6137 7.7682 7.7682 8.8082 8.8082 k = 0.6464 0.1684-0.9155 ( 18784 PWs) bands (ev): -69.8787 -69.8787 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8342 -36.8342 -36.8308 -36.8308 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0805 -22.0805 -8.7990 -8.7990 -6.8943 -6.8943 -6.7276 -6.7276 -1.2569 -1.2569 -0.8471 -0.8471 2.1349 2.1349 2.7349 2.7349 4.3447 4.3447 4.4517 4.4517 4.9088 4.9088 4.9601 4.9601 5.7879 5.7879 6.6236 6.6236 7.7756 7.7756 8.8004 8.8004 k = 0.6422 0.1674-0.8871 ( 18792 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8343 -36.8343 -36.8307 -36.8307 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0809 -22.0809 -8.7975 -8.7975 -6.8912 -6.8912 -6.7274 -6.7274 -1.2818 -1.2818 -0.8479 -0.8479 2.1669 2.1669 2.7395 2.7395 4.3581 4.3581 4.4513 4.4513 4.9194 4.9194 4.9993 4.9993 5.7846 5.7846 6.6375 6.6375 7.7822 7.7822 8.7942 8.7942 k = 0.6380 0.1663-0.8587 ( 18788 PWs) bands (ev): -69.8787 -69.8787 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8344 -36.8344 -36.8306 -36.8306 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0813 -22.0813 -8.7958 -8.7958 -6.8875 -6.8875 -6.7272 -6.7272 -1.3086 -1.3086 -0.8518 -0.8518 2.2063 2.2063 2.7472 2.7472 4.3735 4.3735 4.4523 4.4523 4.9309 4.9309 5.0300 5.0300 5.7917 5.7917 6.6555 6.6555 7.7885 7.7885 8.7900 8.7900 k = 0.6338 0.1652-0.8303 ( 18781 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8345 -36.8345 -36.8305 -36.8305 -36.5508 -36.5508 -36.5473 -36.5473 -36.5410 -36.5410 -36.5382 -36.5382 -22.0817 -22.0817 -8.7939 -8.7939 -6.8834 -6.8834 -6.7269 -6.7269 -1.3367 -1.3367 -0.8588 -0.8588 2.2526 2.2526 2.7580 2.7580 4.3910 4.3910 4.4552 4.4552 4.9440 4.9440 5.0495 5.0495 5.8103 5.8103 6.6774 6.6774 7.7952 7.7952 8.7880 8.7880 k = 0.6297 0.1641-0.8019 ( 18769 PWs) bands (ev): -69.8788 -69.8788 -69.8778 -69.8778 -40.1208 -40.1208 -40.1205 -40.1205 -36.8346 -36.8346 -36.8303 -36.8303 -36.5508 -36.5508 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0823 -22.0823 -8.7918 -8.7918 -6.8788 -6.8788 -6.7265 -6.7265 -1.3660 -1.3660 -0.8689 -0.8689 2.3055 2.3055 2.7718 2.7718 4.4102 4.4102 4.4608 4.4608 4.9588 4.9588 5.0572 5.0572 5.8404 5.8404 6.7033 6.7033 7.8033 7.8033 8.7881 8.7881 k = 0.6255 0.1630-0.7735 ( 18777 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8347 -36.8347 -36.8302 -36.8302 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0828 -22.0828 -8.7894 -8.7894 -6.8738 -6.8738 -6.7260 -6.7260 -1.3962 -1.3962 -0.8818 -0.8818 2.3642 2.3642 2.7885 2.7885 4.4306 4.4306 4.4698 4.4698 4.9751 4.9751 5.0540 5.0540 5.8807 5.8807 6.7330 6.7330 7.8134 7.8134 8.7902 8.7902 k = 0.6213 0.1619-0.7451 ( 18774 PWs) bands (ev): -69.8788 -69.8788 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8348 -36.8348 -36.8301 -36.8301 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0834 -22.0834 -8.7869 -8.7869 -6.8685 -6.8685 -6.7253 -6.7253 -1.4270 -1.4270 -0.8974 -0.8974 2.4279 2.4279 2.8084 2.8084 4.4511 4.4511 4.4835 4.4835 4.9921 4.9921 5.0418 5.0418 5.9293 5.9293 6.7666 6.7666 7.8264 7.8264 8.7939 8.7939 k = 0.6171 0.1608-0.7167 ( 18762 PWs) bands (ev): -69.8789 -69.8789 -69.8777 -69.8777 -40.1208 -40.1208 -40.1205 -40.1205 -36.8350 -36.8350 -36.8300 -36.8300 -36.5509 -36.5509 -36.5473 -36.5473 -36.5409 -36.5409 -36.5382 -36.5382 -22.0841 -22.0841 -8.7842 -8.7842 -6.8628 -6.8628 -6.7244 -6.7244 -1.4583 -1.4583 -0.9153 -0.9153 2.4955 2.4955 2.8319 2.8319 4.4707 4.4707 4.5031 4.5031 5.0029 5.0029 5.0296 5.0296 5.9842 5.9842 6.8037 6.8037 7.8431 7.8431 8.7988 8.7988 k = 0.6129 0.1597-0.6883 ( 18762 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8351 -36.8351 -36.8298 -36.8298 -36.5509 -36.5509 -36.5472 -36.5472 -36.5409 -36.5409 -36.5382 -36.5382 -22.0848 -22.0848 -8.7813 -8.7813 -6.8570 -6.8570 -6.7233 -6.7233 -1.4897 -1.4897 -0.9353 -0.9353 2.5651 2.5651 2.8601 2.8601 4.4899 4.4899 4.5283 4.5283 4.9846 4.9846 5.0418 5.0418 6.0435 6.0435 6.8443 6.8443 7.8640 7.8640 8.8047 8.8047 k = 0.6088 0.1586-0.6599 ( 18754 PWs) bands (ev): -69.8789 -69.8789 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8352 -36.8352 -36.8297 -36.8297 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0855 -22.0855 -8.7783 -8.7783 -6.8510 -6.8510 -6.7218 -6.7218 -1.5212 -1.5212 -0.9571 -0.9571 2.6338 2.6338 2.8953 2.8953 4.5101 4.5101 4.5576 4.5576 4.9534 4.9534 5.0638 5.0638 6.1056 6.1056 6.8880 6.8880 7.8895 7.8895 8.8110 8.8110 k = 0.6046 0.1575-0.6315 ( 18757 PWs) bands (ev): -69.8790 -69.8790 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8353 -36.8353 -36.8296 -36.8296 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0863 -22.0863 -8.7753 -8.7753 -6.8450 -6.8450 -6.7200 -6.7200 -1.5526 -1.5526 -0.9804 -0.9804 2.6976 2.6976 2.9406 2.9406 4.5324 4.5324 4.5898 4.5898 4.9177 4.9177 5.0884 5.0884 6.1693 6.1693 6.9348 6.9348 7.9197 7.9197 8.8171 8.8171 k = 0.6004 0.1565-0.6030 ( 18769 PWs) bands (ev): -69.8790 -69.8790 -69.8776 -69.8776 -40.1208 -40.1208 -40.1205 -40.1205 -36.8354 -36.8354 -36.8295 -36.8295 -36.5510 -36.5510 -36.5472 -36.5472 -36.5408 -36.5408 -36.5383 -36.5383 -22.0871 -22.0871 -8.7721 -8.7721 -6.8390 -6.8390 -6.7179 -6.7179 -1.5837 -1.5837 -1.0049 -1.0049 2.7524 2.7524 2.9997 2.9997 4.5570 4.5570 4.6245 4.6245 4.8798 4.8798 5.1148 5.1148 6.2336 6.2336 6.9842 6.9842 7.9545 7.9545 8.8222 8.8222 k = 0.5962 0.1554-0.5746 ( 18763 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8355 -36.8355 -36.8293 -36.8293 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0879 -22.0879 -8.7689 -8.7689 -6.8332 -6.8332 -6.7152 -6.7152 -1.6143 -1.6143 -1.0303 -1.0303 2.7963 2.7963 3.0736 3.0736 4.5833 4.5833 4.6613 4.6613 4.8416 4.8416 5.1426 5.1426 6.2978 6.2978 7.0362 7.0362 7.9931 7.9931 8.8239 8.8239 k = 0.5920 0.1543-0.5462 ( 18772 PWs) bands (ev): -69.8790 -69.8790 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8356 -36.8356 -36.8292 -36.8292 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0887 -22.0887 -8.7656 -8.7656 -6.8276 -6.8276 -6.7121 -6.7121 -1.6444 -1.6444 -1.0564 -1.0564 2.8309 2.8309 3.1600 3.1600 4.6095 4.6095 4.6997 4.6997 4.8064 4.8064 5.1717 5.1717 6.3614 6.3614 7.0906 7.0906 8.0345 8.0345 8.8119 8.8119 k = 0.5878 0.1532-0.5178 ( 18784 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8357 -36.8357 -36.8291 -36.8291 -36.5511 -36.5511 -36.5471 -36.5471 -36.5408 -36.5408 -36.5383 -36.5383 -22.0895 -22.0895 -8.7623 -8.7623 -6.8223 -6.8223 -6.7084 -6.7084 -1.6738 -1.6738 -1.0829 -1.0829 2.8589 2.8589 3.2555 3.2555 4.6299 4.6299 4.7380 4.7380 4.7821 4.7821 5.2019 5.2019 6.4240 6.4240 7.1474 7.1474 8.0770 8.0770 8.7652 8.7652 k = 0.5837 0.1521-0.4894 ( 18782 PWs) bands (ev): -69.8791 -69.8791 -69.8775 -69.8775 -40.1208 -40.1208 -40.1205 -40.1205 -36.8358 -36.8358 -36.8290 -36.8290 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0904 -22.0904 -8.7590 -8.7590 -6.8175 -6.8175 -6.7042 -6.7042 -1.7024 -1.7024 -1.1096 -1.1096 2.8824 2.8824 3.3575 3.3575 4.6328 4.6328 4.7642 4.7642 4.7931 4.7931 5.2330 5.2330 6.4853 6.4853 7.2066 7.2066 8.1182 8.1182 8.7048 8.7048 k = 0.5795 0.1510-0.4610 ( 18775 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8359 -36.8359 -36.8289 -36.8289 -36.5512 -36.5512 -36.5470 -36.5470 -36.5408 -36.5408 -36.5383 -36.5383 -22.0912 -22.0912 -8.7558 -8.7558 -6.8130 -6.8130 -6.6994 -6.6994 -1.7301 -1.7301 -1.1362 -1.1362 2.9026 2.9026 3.4637 3.4637 4.6137 4.6137 4.7894 4.7894 4.8334 4.8334 5.2649 5.2649 6.5449 6.5449 7.2684 7.2684 8.1550 8.1550 8.6419 8.6419 k = 0.5753 0.1499-0.4326 ( 18768 PWs) bands (ev): -69.8791 -69.8791 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8360 -36.8360 -36.8287 -36.8287 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0920 -22.0920 -8.7526 -8.7526 -6.8091 -6.8091 -6.6941 -6.6941 -1.7569 -1.7569 -1.1626 -1.1626 2.9203 2.9203 3.5724 3.5724 4.5840 4.5840 4.8275 4.8275 4.8787 4.8787 5.2974 5.2974 6.6025 6.6025 7.3328 7.3328 8.1840 8.1840 8.5784 8.5784 k = 0.5711 0.1488-0.4042 ( 18764 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8361 -36.8361 -36.8286 -36.8286 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0929 -22.0929 -8.7494 -8.7494 -6.8056 -6.8056 -6.6883 -6.6883 -1.7825 -1.7825 -1.1886 -1.1886 2.9358 2.9358 3.6815 3.6815 4.5528 4.5528 4.8734 4.8734 4.9259 4.9259 5.3304 5.3304 6.6580 6.6580 7.4000 7.4000 8.2016 8.2016 8.5148 8.5148 k = 0.5669 0.1477-0.3758 ( 18752 PWs) bands (ev): -69.8792 -69.8792 -69.8774 -69.8774 -40.1208 -40.1208 -40.1205 -40.1205 -36.8362 -36.8362 -36.8285 -36.8285 -36.5513 -36.5513 -36.5469 -36.5469 -36.5408 -36.5408 -36.5383 -36.5383 -22.0937 -22.0937 -8.7464 -8.7464 -6.8026 -6.8026 -6.6821 -6.6821 -1.8071 -1.8071 -1.2139 -1.2139 2.9497 2.9497 3.7885 3.7885 4.5255 4.5255 4.9240 4.9240 4.9746 4.9746 5.3634 5.3634 6.7109 6.7109 7.4702 7.4702 8.2053 8.2053 8.4513 8.4513 k = 0.5627 0.1466-0.3474 ( 18753 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8363 -36.8363 -36.8284 -36.8284 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0945 -22.0945 -8.7434 -8.7434 -6.8000 -6.8000 -6.6756 -6.6756 -1.8304 -1.8304 -1.2385 -1.2385 2.9619 2.9619 3.8892 3.8892 4.5073 4.5073 4.9780 4.9780 5.0246 5.0246 5.3965 5.3965 6.7609 6.7609 7.5433 7.5433 8.1944 8.1944 8.3878 8.3878 k = 0.5586 0.1456-0.3190 ( 18756 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8364 -36.8364 -36.8283 -36.8283 -36.5514 -36.5514 -36.5468 -36.5468 -36.5408 -36.5408 -36.5383 -36.5383 -22.0952 -22.0952 -8.7405 -8.7405 -6.7978 -6.7978 -6.6689 -6.6689 -1.8525 -1.8525 -1.2622 -1.2622 2.9727 2.9727 3.9771 3.9771 4.5050 4.5050 5.0344 5.0344 5.0754 5.0754 5.4292 5.4292 6.8077 6.8077 7.6194 7.6194 8.1700 8.1700 8.3241 8.3241 k = 0.5544 0.1445-0.2906 ( 18763 PWs) bands (ev): -69.8792 -69.8792 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8283 -36.8283 -36.5514 -36.5514 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0960 -22.0960 -8.7378 -8.7378 -6.7960 -6.7960 -6.6621 -6.6621 -1.8733 -1.8733 -1.2848 -1.2848 2.9823 2.9823 4.0431 4.0431 4.5277 4.5277 5.0924 5.0924 5.1270 5.1270 5.4614 5.4614 6.8509 6.8509 7.6979 7.6979 8.1345 8.1345 8.2601 8.2601 k = 0.5502 0.1434-0.2622 ( 18771 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8365 -36.8365 -36.8282 -36.8282 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0967 -22.0967 -8.7353 -8.7353 -6.7944 -6.7944 -6.6554 -6.6554 -1.8927 -1.8927 -1.3063 -1.3063 2.9907 2.9907 4.0811 4.0811 4.5815 4.5815 5.1511 5.1511 5.1791 5.1791 5.4926 5.4926 6.8899 6.8899 7.7779 7.7779 8.0913 8.0913 8.1955 8.1955 k = 0.5460 0.1423-0.2338 ( 18740 PWs) bands (ev): -69.8793 -69.8793 -69.8773 -69.8773 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8281 -36.8281 -36.5515 -36.5515 -36.5467 -36.5467 -36.5408 -36.5408 -36.5383 -36.5383 -22.0973 -22.0973 -8.7328 -8.7328 -6.7931 -6.7931 -6.6488 -6.6488 -1.9107 -1.9107 -1.3264 -1.3264 2.9980 2.9980 4.0939 4.0939 4.6632 4.6632 5.2096 5.2096 5.2317 5.2317 5.5227 5.5227 6.9239 6.9239 7.8558 7.8558 8.0461 8.0461 8.1309 8.1309 k = 0.5418 0.1412-0.2054 ( 18741 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8366 -36.8366 -36.8280 -36.8280 -36.5515 -36.5515 -36.5466 -36.5466 -36.5408 -36.5408 -36.5382 -36.5382 -22.0979 -22.0979 -8.7306 -8.7306 -6.7920 -6.7920 -6.6424 -6.6424 -1.9272 -1.9272 -1.3452 -1.3452 3.0044 3.0044 4.0903 4.0903 4.7637 4.7637 5.2665 5.2665 5.2850 5.2850 5.5513 5.5513 6.9522 6.9522 7.9108 7.9108 8.0190 8.0190 8.0689 8.0689 k = 0.5376 0.1401-0.1770 ( 18741 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8367 -36.8367 -36.8280 -36.8280 -36.5516 -36.5516 -36.5466 -36.5466 -36.5409 -36.5409 -36.5382 -36.5382 -22.0985 -22.0985 -8.7285 -8.7285 -6.7911 -6.7911 -6.6364 -6.6364 -1.9423 -1.9423 -1.3625 -1.3625 3.0099 3.0099 4.0781 4.0781 4.8747 4.8747 5.3204 5.3204 5.3389 5.3389 5.5780 5.5780 6.9735 6.9735 7.8939 7.8939 7.9951 7.9951 8.0763 8.0763 k = 0.5335 0.1390-0.1486 ( 18749 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0990 -22.0990 -8.7267 -8.7267 -6.7904 -6.7904 -6.6307 -6.6307 -1.9558 -1.9558 -1.3782 -1.3782 3.0146 3.0146 4.0620 4.0620 4.9904 4.9904 5.3708 5.3708 5.3927 5.3927 5.6025 5.6025 6.9863 6.9863 7.8453 7.8453 7.9344 7.9344 8.1557 8.1557 k = 0.5293 0.1379-0.1202 ( 18755 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8279 -36.8279 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0995 -22.0995 -8.7250 -8.7250 -6.7898 -6.7898 -6.6256 -6.6256 -1.9679 -1.9679 -1.3922 -1.3922 3.0186 3.0186 4.0449 4.0449 5.1071 5.1071 5.4179 5.4179 5.4447 5.4447 5.6244 5.6244 6.9892 6.9892 7.7946 7.7946 7.8747 7.8747 8.2429 8.2429 k = 0.5251 0.1368-0.0918 ( 18751 PWs) bands (ev): -69.8793 -69.8793 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8368 -36.8368 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.0999 -22.0999 -8.7235 -8.7235 -6.7893 -6.7893 -6.6209 -6.6209 -1.9783 -1.9783 -1.4045 -1.4045 3.0220 3.0220 4.0283 4.0283 5.2213 5.2213 5.4615 5.4615 5.4936 5.4936 5.6435 5.6435 6.9808 6.9808 7.7486 7.7486 7.8191 7.8191 8.3311 8.3311 k = 0.5209 0.1357-0.0634 ( 18741 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8278 -36.8278 -36.5516 -36.5516 -36.5465 -36.5465 -36.5409 -36.5409 -36.5382 -36.5382 -22.1003 -22.1003 -8.7223 -8.7223 -6.7889 -6.7889 -6.6169 -6.6169 -1.9872 -1.9872 -1.4150 -1.4150 3.0247 3.0247 4.0132 4.0132 5.3296 5.3296 5.5011 5.5011 5.5383 5.5383 5.6593 5.6593 6.9610 6.9610 7.7106 7.7106 7.7690 7.7690 8.4172 8.4172 k = 0.5167 0.1347-0.0350 ( 18759 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5516 -36.5516 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1005 -22.1005 -8.7212 -8.7212 -6.7886 -6.7886 -6.6136 -6.6136 -1.9945 -1.9945 -1.4236 -1.4236 3.0269 3.0269 4.0002 4.0002 5.4278 5.4278 5.5358 5.5358 5.5786 5.5786 5.6718 5.6718 6.9319 6.9319 7.6817 7.6817 7.7259 7.7259 8.4986 8.4986 k = 0.5125 0.1336-0.0066 ( 18750 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1008 -22.1008 -8.7204 -8.7204 -6.7884 -6.7884 -6.6110 -6.6110 -2.0002 -2.0002 -1.4304 -1.4304 3.0286 3.0286 3.9899 3.9899 5.5097 5.5097 5.5649 5.5649 5.6149 5.6149 5.6811 5.6811 6.8977 6.8977 7.6616 7.6616 7.6914 7.6914 8.5715 8.5715 k = 0.5084 0.1325 0.0218 ( 18747 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5409 -36.5409 -36.5382 -36.5382 -22.1009 -22.1009 -8.7199 -8.7199 -6.7882 -6.7882 -6.6090 -6.6090 -2.0042 -2.0042 -1.4353 -1.4353 3.0297 3.0297 3.9823 3.9823 5.5674 5.5674 5.5873 5.5873 5.6477 5.6477 5.6881 5.6881 6.8649 6.8649 7.6480 7.6480 7.6669 7.6669 8.6297 8.6297 k = 0.5042 0.1314 0.0502 ( 18744 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1010 -22.1010 -8.7195 -8.7195 -6.7881 -6.7881 -6.6079 -6.6079 -2.0067 -2.0067 -1.4382 -1.4382 3.0304 3.0304 3.9776 3.9776 5.5965 5.5965 5.6036 5.6036 5.6704 5.6704 5.6960 5.6960 6.8410 6.8410 7.6389 7.6389 7.6538 7.6538 8.6469 8.6469 k = 0.5000 0.1303 0.0786 ( 18750 PWs) bands (ev): -69.8794 -69.8794 -69.8772 -69.8772 -40.1208 -40.1208 -40.1205 -40.1205 -36.8369 -36.8369 -36.8277 -36.8277 -36.5517 -36.5517 -36.5464 -36.5464 -36.5410 -36.5410 -36.5382 -36.5382 -22.1011 -22.1011 -8.7194 -8.7194 -6.7881 -6.7881 -6.6075 -6.6075 -2.0075 -2.0075 -1.4392 -1.4392 3.0307 3.0307 3.9761 3.9761 5.6033 5.6033 5.6111 5.6111 5.6764 5.6764 5.7019 5.7019 6.8322 6.8322 7.6353 7.6353 7.6501 7.6501 8.6452 8.6452 k = 0.5000-0.8942-0.5397 ( 18792 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2837 -1.2837 -0.7570 -0.7570 2.3906 2.3906 2.4694 2.4694 3.8963 3.8963 4.1679 4.1679 5.0070 5.0070 5.1681 5.1681 6.2675 6.2675 7.0060 7.0060 8.1176 8.1176 8.2275 8.2275 k = 0.5245-0.8842-0.5336 ( 18798 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2831 -1.2831 -0.7577 -0.7577 2.3823 2.3823 2.4766 2.4766 3.9012 3.9012 4.1689 4.1689 5.0052 5.0052 5.1660 5.1660 6.2644 6.2644 7.0031 7.0031 8.1014 8.1014 8.2391 8.2391 k = 0.5489-0.8742-0.5276 ( 18789 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2813 -1.2813 -0.7597 -0.7597 2.3627 2.3627 2.4931 2.4931 3.9157 3.9157 4.1719 4.1719 4.9997 4.9997 5.1596 5.1596 6.2553 6.2553 6.9943 6.9943 8.0647 8.0647 8.2636 8.2636 k = 0.5734-0.8642-0.5215 ( 18798 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2784 -1.2784 -0.7631 -0.7631 2.3379 2.3379 2.5130 2.5130 3.9393 3.9393 4.1769 4.1769 4.9908 4.9908 5.1491 5.1491 6.2403 6.2403 6.9792 6.9792 8.0207 8.0207 8.2923 8.2923 k = 0.5978-0.8541-0.5155 ( 18801 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8022 -8.8022 -6.9011 -6.9011 -6.7275 -6.7275 -1.2744 -1.2744 -0.7679 -0.7679 2.3106 2.3106 2.5341 2.5341 3.9714 3.9714 4.1839 4.1839 4.9785 4.9785 5.1347 5.1347 6.2196 6.2196 6.9576 6.9576 7.9758 7.9758 8.3237 8.3237 k = 0.6223-0.8441-0.5094 ( 18797 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8340 -36.8340 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8021 -8.8021 -6.9010 -6.9010 -6.7275 -6.7275 -1.2692 -1.2692 -0.7739 -0.7739 2.2821 2.2821 2.5559 2.5559 4.0111 4.0111 4.1928 4.1928 4.9633 4.9633 5.1168 5.1168 6.1937 6.1937 6.9294 6.9294 7.9334 7.9334 8.3588 8.3588 k = 0.6467-0.8341-0.5034 ( 18807 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8021 -8.8021 -6.9010 -6.9010 -6.7275 -6.7275 -1.2631 -1.2631 -0.7812 -0.7812 2.2532 2.2532 2.5782 2.5782 4.0573 4.0573 4.2037 4.2037 4.9454 4.9454 5.0957 5.0957 6.1629 6.1629 6.8951 6.8951 7.8954 7.8954 8.3985 8.3985 k = 0.6712-0.8241-0.4973 ( 18807 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8021 -8.8021 -6.9009 -6.9009 -6.7276 -6.7276 -1.2559 -1.2559 -0.7898 -0.7898 2.2244 2.2244 2.6009 2.6009 4.1088 4.1088 4.2163 4.2163 4.9254 4.9254 5.0719 5.0719 6.1273 6.1273 6.8557 6.8557 7.8627 7.8627 8.4435 8.4435 k = 0.6956-0.8140-0.4913 ( 18799 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8020 -8.8020 -6.9008 -6.9008 -6.7276 -6.7276 -1.2478 -1.2478 -0.7995 -0.7995 2.1965 2.1965 2.6240 2.6240 4.1642 4.1642 4.2309 4.2309 4.9038 4.9038 5.0458 5.0458 6.0875 6.0875 6.8127 6.8127 7.8350 7.8350 8.4942 8.4942 k = 0.7201-0.8040-0.4852 ( 18788 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8310 -36.8310 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8020 -8.8020 -6.9008 -6.9008 -6.7276 -6.7276 -1.2389 -1.2389 -0.8102 -0.8102 2.1698 2.1698 2.6476 2.6476 4.2208 4.2208 4.2487 4.2487 4.8812 4.8812 5.0180 5.0180 6.0436 6.0436 6.7680 6.7680 7.8119 7.8119 8.5507 8.5507 k = 0.7445-0.7940-0.4792 ( 18786 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8020 -8.8020 -6.9007 -6.9007 -6.7277 -6.7277 -1.2292 -1.2292 -0.8219 -0.8219 2.1449 2.1449 2.6713 2.6713 4.2590 4.2590 4.2874 4.2874 4.8586 4.8586 4.9889 4.9889 5.9964 5.9964 6.7235 6.7235 7.7924 7.7924 8.6127 8.6127 k = 0.7690-0.7840-0.4731 ( 18780 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0798 -22.0798 -8.8019 -8.8019 -6.9006 -6.9006 -6.7277 -6.7277 -1.2190 -1.2190 -0.8345 -0.8345 2.1222 2.1222 2.6951 2.6951 4.2790 4.2790 4.3448 4.3448 4.8369 4.8369 4.9592 4.9592 5.9465 5.9465 6.6808 6.6808 7.7759 7.7759 8.6799 8.6799 k = 0.7934-0.7740-0.4671 ( 18780 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0799 -22.0799 -8.8018 -8.8018 -6.9005 -6.9005 -6.7277 -6.7277 -1.2083 -1.2083 -0.8479 -0.8479 2.1021 2.1021 2.7187 2.7187 4.2984 4.2984 4.4009 4.4009 4.8173 4.8173 4.9295 4.9295 5.8952 5.8952 6.6414 6.6414 7.7616 7.7616 8.7514 8.7514 k = 0.8179-0.7639-0.4610 ( 18784 PWs) bands (ev): -69.8786 -69.8786 -69.8779 -69.8779 -40.1208 -40.1208 -40.1205 -40.1205 -36.8341 -36.8341 -36.8309 -36.8309 -36.5508 -36.5508 -36.5474 -36.5474 -36.5411 -36.5411 -36.5381 -36.5381 -22.0799 -22.0799 -8.8018 -8.8018 -6.9003 -6.9003 -6.7277 -6.7277 -1.1973 -1.1973 -0.8617 -0.8617 2.0848 2.0848 2.7418 2.7418 4.3179 4.3179 4.4516 4.4516 4.8013 4.8013 4.9005 4.9005 5.8444 5.8444 6.6063 6.6063 7.7488 7.7488 8.8262 8.8262 Writing output data file BaLi2xMgSix2.save init_run : 0.85s CPU 1.11s WALL ( 1 calls) electrons : 959.58s CPU 963.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 959.58s CPU 963.24s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.15s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.26s WALL ( 265 calls) cegterg : 860.33s CPU 862.74s WALL ( 371 calls) Called by sum_band: Called by *egterg: h_psi : 840.12s CPU 842.31s WALL ( 6351 calls) s_psi : 11.30s CPU 11.31s WALL ( 6351 calls) g_psi : 0.91s CPU 0.87s WALL ( 5715 calls) cdiaghg : 45.95s CPU 46.63s WALL ( 5980 calls) cegterg:over : 18.26s CPU 18.14s WALL ( 5715 calls) cegterg:upda : 19.86s CPU 19.87s WALL ( 5715 calls) cegterg:last : 9.11s CPU 9.14s WALL ( 991 calls) cdiaghg:chol : 2.63s CPU 2.70s WALL ( 5980 calls) cdiaghg:inve : 1.72s CPU 1.78s WALL ( 5980 calls) cdiaghg:para : 2.87s CPU 2.92s WALL ( 11960 calls) Called by h_psi: h_psi:vloc : 813.90s CPU 815.96s WALL ( 6351 calls) h_psi:vnl : 25.50s CPU 25.50s WALL ( 6351 calls) add_vuspsi : 11.96s CPU 11.87s WALL ( 6351 calls) General routines calbec : 13.52s CPU 13.60s WALL ( 6351 calls) fft : 0.02s CPU 0.03s WALL ( 15 calls) fftw : 761.64s CPU 763.16s WALL ( 657376 calls) davcio : 0.30s CPU 0.75s WALL ( 530 calls) Parallel routines fft_scatter : 105.68s CPU 105.82s WALL ( 657391 calls) PWSCF : 16m37.37s CPU 17m39.66s WALL This run was terminated on: 14:40:50 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=