Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 8: 9 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: ./BaxMgSix2.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 110 67 19 2879 1371 210 Max 111 68 20 2882 1392 212 Sum 3995 2445 691 103713 49607 7575 bravais-lattice index = 14 lattice parameter (alat) = 12.1823 a.u. unit-cell volume = 809.1033 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.182252 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.739853 celldm(5)= -0.739853 celldm(6)= 0.479707 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.479707 0.877429 0.000000 ) a(3) = ( -0.739853 -0.438715 0.510046 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.546718 0.980304 ) b(2) = ( 0.000000 1.139693 0.980304 ) b(3) = ( 0.000000 0.000000 1.960608 ) 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 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. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0000000 0.0204230), wk = 0.0031746 k( 3) = ( 0.0000000 0.0000000 0.0408460), wk = 0.0031746 k( 4) = ( 0.0000000 0.0000000 0.0612690), wk = 0.0031746 k( 5) = ( 0.0000000 0.0000000 0.0816920), wk = 0.0031746 k( 6) = ( 0.0000000 0.0000000 0.1021150), wk = 0.0031746 k( 7) = ( 0.0000000 0.0000000 0.1225380), wk = 0.0031746 k( 8) = ( 0.0000000 0.0000000 0.1429610), wk = 0.0031746 k( 9) = ( 0.0000000 0.0000000 0.1633840), wk = 0.0031746 k( 10) = ( 0.0000000 0.0000000 0.1838070), wk = 0.0031746 k( 11) = ( 0.0000000 0.0000000 0.2042300), wk = 0.0031746 k( 12) = ( 0.0000000 0.0000000 0.2246530), wk = 0.0031746 k( 13) = ( 0.0000000 0.0000000 0.2450760), wk = 0.0031746 k( 14) = ( 0.0000000 0.0000000 0.2654990), wk = 0.0031746 k( 15) = ( 0.0000000 0.0000000 0.2859220), wk = 0.0031746 k( 16) = ( 0.0000000 0.0000000 0.3063450), wk = 0.0031746 k( 17) = ( 0.0000000 0.0000000 0.3267680), wk = 0.0031746 k( 18) = ( 0.0000000 0.0000000 0.3471910), wk = 0.0031746 k( 19) = ( 0.0000000 0.0000000 0.3676140), wk = 0.0031746 k( 20) = ( 0.0000000 0.0000000 0.3880370), wk = 0.0031746 k( 21) = ( 0.0000000 0.0000000 0.4084600), wk = 0.0031746 k( 22) = ( 0.0000000 0.0000000 0.4288830), wk = 0.0031746 k( 23) = ( 0.0000000 0.0000000 0.4493060), wk = 0.0031746 k( 24) = ( 0.0000000 0.0000000 0.4697290), wk = 0.0031746 k( 25) = ( 0.0000000 0.0000000 0.4901520), wk = 0.0031746 k( 26) = ( 0.0000000 0.0000000 0.5105750), wk = 0.0031746 k( 27) = ( 0.0000000 0.0000000 0.5309980), wk = 0.0031746 k( 28) = ( 0.0000000 0.0000000 0.5514210), wk = 0.0031746 k( 29) = ( 0.0000000 0.0000000 0.5718440), wk = 0.0031746 k( 30) = ( 0.0000000 0.0000000 0.5922670), wk = 0.0031746 k( 31) = ( 0.0000000 0.0000000 0.6126900), wk = 0.0031746 k( 32) = ( 0.0000000 0.0000000 0.6331131), wk = 0.0031746 k( 33) = ( 0.0000000 0.0000000 0.6535360), wk = 0.0031746 k( 34) = ( 0.0000000 0.0000000 0.6739590), wk = 0.0031746 k( 35) = ( 0.0000000 0.0000000 0.6943821), wk = 0.0031746 k( 36) = ( 0.0000000 0.0000000 0.7148050), wk = 0.0031746 k( 37) = ( 0.0000000 0.0000000 0.7352281), wk = 0.0031746 k( 38) = ( 0.0000000 0.0000000 0.7556511), wk = 0.0031746 k( 39) = ( 0.0000000 0.0000000 0.7760740), wk = 0.0031746 k( 40) = ( 0.0000000 0.0000000 0.7964971), wk = 0.0031746 k( 41) = ( 0.0000000 0.0000000 0.8169201), wk = 0.0031746 k( 42) = ( 0.0000000 0.0000000 0.8373431), wk = 0.0031746 k( 43) = ( 0.0000000 0.0000000 0.8577661), wk = 0.0031746 k( 44) = ( 0.0000000 0.0000000 0.8781891), wk = 0.0031746 k( 45) = ( 0.0000000 0.0000000 0.8986121), wk = 0.0031746 k( 46) = ( 0.0000000 0.0000000 0.9190351), wk = 0.0031746 k( 47) = ( 0.0000000 0.0000000 0.9394581), wk = 0.0031746 k( 48) = ( 0.0000000 0.0000000 0.9598811), wk = 0.0031746 k( 49) = ( 0.0000000 0.0000000 0.9803041), wk = 0.0031746 k( 50) = ( 0.0000000 0.0000000 0.9803041), wk = 0.0031746 k( 51) = ( -0.0097672 0.0164715 0.9803041), wk = 0.0031746 k( 52) = ( -0.0195344 0.0329431 0.9803041), wk = 0.0031746 k( 53) = ( -0.0293016 0.0494146 0.9803041), wk = 0.0031746 k( 54) = ( -0.0390688 0.0658861 0.9803041), wk = 0.0031746 k( 55) = ( -0.0488360 0.0823577 0.9803041), wk = 0.0031746 k( 56) = ( -0.0586032 0.0988292 0.9803041), wk = 0.0031746 k( 57) = ( -0.0683704 0.1153007 0.9803041), wk = 0.0031746 k( 58) = ( -0.0781376 0.1317722 0.9803041), wk = 0.0031746 k( 59) = ( -0.0879049 0.1482438 0.9803041), wk = 0.0031746 k( 60) = ( -0.0879049 0.1482438 0.9803041), wk = 0.0031746 k( 61) = ( -0.0952637 0.1606538 0.9658763), wk = 0.0031746 k( 62) = ( -0.1026225 0.1730638 0.9514485), wk = 0.0031746 k( 63) = ( -0.1099814 0.1854739 0.9370206), wk = 0.0031746 k( 64) = ( -0.1173402 0.1978839 0.9225928), wk = 0.0031746 k( 65) = ( -0.1246991 0.2102939 0.9081650), wk = 0.0031746 k( 66) = ( -0.1320579 0.2227040 0.8937372), wk = 0.0031746 k( 67) = ( -0.1394167 0.2351140 0.8793094), wk = 0.0031746 k( 68) = ( -0.1467756 0.2475240 0.8648816), wk = 0.0031746 k( 69) = ( -0.1541344 0.2599341 0.8504538), wk = 0.0031746 k( 70) = ( -0.1614933 0.2723441 0.8360260), wk = 0.0031746 k( 71) = ( -0.1688521 0.2847542 0.8215982), wk = 0.0031746 k( 72) = ( -0.1762110 0.2971642 0.8071704), wk = 0.0031746 k( 73) = ( -0.1835698 0.3095742 0.7927426), wk = 0.0031746 k( 74) = ( -0.1909286 0.3219843 0.7783148), wk = 0.0031746 k( 75) = ( -0.1982875 0.3343943 0.7638870), wk = 0.0031746 k( 76) = ( -0.2056463 0.3468044 0.7494592), wk = 0.0031746 k( 77) = ( -0.2130052 0.3592144 0.7350314), wk = 0.0031746 k( 78) = ( -0.2203640 0.3716244 0.7206036), wk = 0.0031746 k( 79) = ( -0.2277228 0.3840345 0.7061758), wk = 0.0031746 k( 80) = ( -0.2350817 0.3964445 0.6917480), wk = 0.0031746 k( 81) = ( -0.2424405 0.4088545 0.6773202), wk = 0.0031746 k( 82) = ( -0.2497994 0.4212646 0.6628924), wk = 0.0031746 k( 83) = ( -0.2571582 0.4336746 0.6484645), wk = 0.0031746 k( 84) = ( -0.2645170 0.4460846 0.6340367), wk = 0.0031746 k( 85) = ( -0.2718759 0.4584947 0.6196089), wk = 0.0031746 k( 86) = ( -0.2792347 0.4709047 0.6051811), wk = 0.0031746 k( 87) = ( -0.2865936 0.4833148 0.5907533), wk = 0.0031746 k( 88) = ( -0.2939524 0.4957248 0.5763255), wk = 0.0031746 k( 89) = ( -0.2939524 0.4957248 0.5763255), wk = 0.0031746 k( 90) = ( -0.2866036 0.4833317 0.5619174), wk = 0.0031746 k( 91) = ( -0.2792548 0.4709385 0.5475092), wk = 0.0031746 k( 92) = ( -0.2719060 0.4585454 0.5331011), wk = 0.0031746 k( 93) = ( -0.2645572 0.4461523 0.5186930), wk = 0.0031746 k( 94) = ( -0.2572084 0.4337592 0.5042848), wk = 0.0031746 k( 95) = ( -0.2498596 0.4213661 0.4898767), wk = 0.0031746 k( 96) = ( -0.2425107 0.4089730 0.4754686), wk = 0.0031746 k( 97) = ( -0.2351619 0.3965798 0.4610604), wk = 0.0031746 k( 98) = ( -0.2278131 0.3841867 0.4466523), wk = 0.0031746 k( 99) = ( -0.2204643 0.3717936 0.4322441), wk = 0.0031746 k( 100) = ( -0.2131155 0.3594005 0.4178360), wk = 0.0031746 k( 101) = ( -0.2057667 0.3470074 0.4034279), wk = 0.0031746 k( 102) = ( -0.1984179 0.3346142 0.3890197), wk = 0.0031746 k( 103) = ( -0.1910691 0.3222211 0.3746116), wk = 0.0031746 k( 104) = ( -0.1837203 0.3098280 0.3602034), wk = 0.0031746 k( 105) = ( -0.1763715 0.2974349 0.3457953), wk = 0.0031746 k( 106) = ( -0.1690226 0.2850418 0.3313872), wk = 0.0031746 k( 107) = ( -0.1616738 0.2726486 0.3169790), wk = 0.0031746 k( 108) = ( -0.1543250 0.2602555 0.3025709), wk = 0.0031746 k( 109) = ( -0.1469762 0.2478624 0.2881628), wk = 0.0031746 k( 110) = ( -0.1396274 0.2354693 0.2737546), wk = 0.0031746 k( 111) = ( -0.1322786 0.2230762 0.2593465), wk = 0.0031746 k( 112) = ( -0.1249298 0.2106830 0.2449383), wk = 0.0031746 k( 113) = ( -0.1175810 0.1982899 0.2305302), wk = 0.0031746 k( 114) = ( -0.1102322 0.1858968 0.2161221), wk = 0.0031746 k( 115) = ( -0.1028833 0.1735037 0.2017139), wk = 0.0031746 k( 116) = ( -0.0955345 0.1611106 0.1873058), wk = 0.0031746 k( 117) = ( -0.0881857 0.1487174 0.1728977), wk = 0.0031746 k( 118) = ( -0.0808369 0.1363243 0.1584895), wk = 0.0031746 k( 119) = ( -0.0734881 0.1239312 0.1440814), wk = 0.0031746 k( 120) = ( -0.0661393 0.1115381 0.1296732), wk = 0.0031746 k( 121) = ( -0.0587905 0.0991450 0.1152651), wk = 0.0031746 k( 122) = ( -0.0514417 0.0867518 0.1008570), wk = 0.0031746 k( 123) = ( -0.0440929 0.0743587 0.0864488), wk = 0.0031746 k( 124) = ( -0.0367441 0.0619656 0.0720407), wk = 0.0031746 k( 125) = ( -0.0293952 0.0495725 0.0576325), wk = 0.0031746 k( 126) = ( -0.0220464 0.0371794 0.0432244), wk = 0.0031746 k( 127) = ( -0.0146976 0.0247862 0.0288163), wk = 0.0031746 k( 128) = ( -0.0073488 0.0123931 0.0144081), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 131) = ( 0.0172414 0.0102237 -0.0000000), wk = 0.0031746 k( 132) = ( 0.0344828 0.0204474 -0.0000000), wk = 0.0031746 k( 133) = ( 0.0517241 0.0306711 -0.0000000), wk = 0.0031746 k( 134) = ( 0.0689655 0.0408948 -0.0000000), wk = 0.0031746 k( 135) = ( 0.0862069 0.0511185 -0.0000000), wk = 0.0031746 k( 136) = ( 0.1034483 0.0613422 -0.0000000), wk = 0.0031746 k( 137) = ( 0.1206897 0.0715660 -0.0000000), wk = 0.0031746 k( 138) = ( 0.1379310 0.0817897 -0.0000000), wk = 0.0031746 k( 139) = ( 0.1551724 0.0920134 -0.0000000), wk = 0.0031746 k( 140) = ( 0.1724138 0.1022371 -0.0000000), wk = 0.0031746 k( 141) = ( 0.1896552 0.1124608 -0.0000000), wk = 0.0031746 k( 142) = ( 0.2068966 0.1226845 -0.0000000), wk = 0.0031746 k( 143) = ( 0.2241379 0.1329082 -0.0000000), wk = 0.0031746 k( 144) = ( 0.2413793 0.1431319 -0.0000000), wk = 0.0031746 k( 145) = ( 0.2586207 0.1533556 -0.0000000), wk = 0.0031746 k( 146) = ( 0.2758621 0.1635793 -0.0000000), wk = 0.0031746 k( 147) = ( 0.2931034 0.1738030 -0.0000000), wk = 0.0031746 k( 148) = ( 0.3103448 0.1840267 -0.0000000), wk = 0.0031746 k( 149) = ( 0.3275862 0.1942504 -0.0000000), wk = 0.0031746 k( 150) = ( 0.3448276 0.2044741 -0.0000000), wk = 0.0031746 k( 151) = ( 0.3620690 0.2146979 -0.0000000), wk = 0.0031746 k( 152) = ( 0.3793103 0.2249216 -0.0000000), wk = 0.0031746 k( 153) = ( 0.3965517 0.2351453 -0.0000000), wk = 0.0031746 k( 154) = ( 0.4137931 0.2453690 -0.0000000), wk = 0.0031746 k( 155) = ( 0.4310345 0.2555927 -0.0000000), wk = 0.0031746 k( 156) = ( 0.4482759 0.2658164 -0.0000000), wk = 0.0031746 k( 157) = ( 0.4655172 0.2760401 -0.0000000), wk = 0.0031746 k( 158) = ( 0.4827586 0.2862638 -0.0000000), wk = 0.0031746 k( 159) = ( 0.5000000 0.2964875 -0.0000000), wk = 0.0031746 k( 160) = ( 0.5000000 0.2964875 -0.0000000), wk = 0.0031746 k( 161) = ( 0.4926412 0.3088975 0.0144278), wk = 0.0031746 k( 162) = ( 0.4852823 0.3213076 0.0288556), wk = 0.0031746 k( 163) = ( 0.4779235 0.3337176 0.0432834), wk = 0.0031746 k( 164) = ( 0.4705646 0.3461277 0.0577112), wk = 0.0031746 k( 165) = ( 0.4632058 0.3585377 0.0721390), wk = 0.0031746 k( 166) = ( 0.4558469 0.3709477 0.0865668), wk = 0.0031746 k( 167) = ( 0.4484881 0.3833578 0.1009946), wk = 0.0031746 k( 168) = ( 0.4411293 0.3957678 0.1154225), wk = 0.0031746 k( 169) = ( 0.4337704 0.4081778 0.1298503), wk = 0.0031746 k( 170) = ( 0.4264116 0.4205879 0.1442781), wk = 0.0031746 k( 171) = ( 0.4190527 0.4329979 0.1587059), wk = 0.0031746 k( 172) = ( 0.4116939 0.4454080 0.1731337), wk = 0.0031746 k( 173) = ( 0.4043350 0.4578180 0.1875615), wk = 0.0031746 k( 174) = ( 0.3969762 0.4702280 0.2019893), wk = 0.0031746 k( 175) = ( 0.3896174 0.4826381 0.2164171), wk = 0.0031746 k( 176) = ( 0.3822585 0.4950481 0.2308449), wk = 0.0031746 k( 177) = ( 0.3748997 0.5074581 0.2452727), wk = 0.0031746 k( 178) = ( 0.3675408 0.5198682 0.2597005), wk = 0.0031746 k( 179) = ( 0.3601820 0.5322782 0.2741283), wk = 0.0031746 k( 180) = ( 0.3528232 0.5446883 0.2885561), wk = 0.0031746 k( 181) = ( 0.3454643 0.5570983 0.3029839), wk = 0.0031746 k( 182) = ( 0.3381055 0.5695083 0.3174117), wk = 0.0031746 k( 183) = ( 0.3307466 0.5819184 0.3318395), wk = 0.0031746 k( 184) = ( 0.3233878 0.5943284 0.3462673), wk = 0.0031746 k( 185) = ( 0.3160289 0.6067384 0.3606951), wk = 0.0031746 k( 186) = ( 0.3086701 0.6191485 0.3751229), wk = 0.0031746 k( 187) = ( 0.3013113 0.6315585 0.3895507), wk = 0.0031746 k( 188) = ( 0.2939524 0.6439686 0.4039786), wk = 0.0031746 k( 189) = ( 0.2939524 0.6439686 0.4039786), wk = 0.0031746 k( 190) = ( 0.2755804 0.6393359 0.4093644), wk = 0.0031746 k( 191) = ( 0.2572084 0.6347033 0.4147502), wk = 0.0031746 k( 192) = ( 0.2388363 0.6300707 0.4201361), wk = 0.0031746 k( 193) = ( 0.2204643 0.6254381 0.4255219), wk = 0.0031746 k( 194) = ( 0.2020923 0.6208055 0.4309078), wk = 0.0031746 k( 195) = ( 0.1837203 0.6161729 0.4362936), wk = 0.0031746 k( 196) = ( 0.1653482 0.6115402 0.4416794), wk = 0.0031746 k( 197) = ( 0.1469762 0.6069076 0.4470653), wk = 0.0031746 k( 198) = ( 0.1286042 0.6022750 0.4524511), wk = 0.0031746 k( 199) = ( 0.1102322 0.5976424 0.4578370), wk = 0.0031746 k( 200) = ( 0.0918601 0.5930098 0.4632228), wk = 0.0031746 k( 201) = ( 0.0734881 0.5883771 0.4686087), wk = 0.0031746 k( 202) = ( 0.0551161 0.5837445 0.4739945), wk = 0.0031746 k( 203) = ( 0.0367441 0.5791119 0.4793804), wk = 0.0031746 k( 204) = ( 0.0183720 0.5744793 0.4847662), wk = 0.0031746 k( 205) = ( 0.0000000 0.5698467 0.4901520), wk = 0.0031746 k( 206) = ( 0.0000000 0.5698467 0.4901520), wk = 0.0031746 k( 207) = ( 0.0073529 0.5574466 0.5045683), wk = 0.0031746 k( 208) = ( 0.0147059 0.5450465 0.5189845), wk = 0.0031746 k( 209) = ( 0.0220588 0.5326464 0.5334007), wk = 0.0031746 k( 210) = ( 0.0294118 0.5202463 0.5478170), wk = 0.0031746 k( 211) = ( 0.0367647 0.5078462 0.5622332), wk = 0.0031746 k( 212) = ( 0.0441177 0.4954462 0.5766495), wk = 0.0031746 k( 213) = ( 0.0514706 0.4830461 0.5910657), wk = 0.0031746 k( 214) = ( 0.0588235 0.4706460 0.6054819), wk = 0.0031746 k( 215) = ( 0.0661765 0.4582459 0.6198982), wk = 0.0031746 k( 216) = ( 0.0735294 0.4458458 0.6343144), wk = 0.0031746 k( 217) = ( 0.0808824 0.4334457 0.6487306), wk = 0.0031746 k( 218) = ( 0.0882353 0.4210456 0.6631469), wk = 0.0031746 k( 219) = ( 0.0955882 0.4086455 0.6775631), wk = 0.0031746 k( 220) = ( 0.1029412 0.3962455 0.6919794), wk = 0.0031746 k( 221) = ( 0.1102941 0.3838454 0.7063956), wk = 0.0031746 k( 222) = ( 0.1176471 0.3714453 0.7208118), wk = 0.0031746 k( 223) = ( 0.1250000 0.3590452 0.7352281), wk = 0.0031746 k( 224) = ( 0.1323529 0.3466451 0.7496443), wk = 0.0031746 k( 225) = ( 0.1397059 0.3342450 0.7640605), wk = 0.0031746 k( 226) = ( 0.1470588 0.3218450 0.7784768), wk = 0.0031746 k( 227) = ( 0.1544118 0.3094449 0.7928930), wk = 0.0031746 k( 228) = ( 0.1617647 0.2970448 0.8073092), wk = 0.0031746 k( 229) = ( 0.1691177 0.2846447 0.8217255), wk = 0.0031746 k( 230) = ( 0.1764706 0.2722446 0.8361417), wk = 0.0031746 k( 231) = ( 0.1838235 0.2598445 0.8505579), wk = 0.0031746 k( 232) = ( 0.1911765 0.2474444 0.8649742), wk = 0.0031746 k( 233) = ( 0.1985294 0.2350444 0.8793904), wk = 0.0031746 k( 234) = ( 0.2058823 0.2226443 0.8938066), wk = 0.0031746 k( 235) = ( 0.2132353 0.2102442 0.9082229), wk = 0.0031746 k( 236) = ( 0.2205882 0.1978441 0.9226391), wk = 0.0031746 k( 237) = ( 0.2279412 0.1854440 0.9370554), wk = 0.0031746 k( 238) = ( 0.2352941 0.1730439 0.9514716), wk = 0.0031746 k( 239) = ( 0.2426471 0.1606438 0.9658878), wk = 0.0031746 k( 240) = ( 0.2500000 0.1482438 0.9803041), wk = 0.0031746 k( 241) = ( 0.2500000 0.1482438 0.9803041), wk = 0.0031746 k( 242) = ( 0.2647059 0.1569640 0.9701660), wk = 0.0031746 k( 243) = ( 0.2794118 0.1656842 0.9600280), wk = 0.0031746 k( 244) = ( 0.2941177 0.1744044 0.9498899), wk = 0.0031746 k( 245) = ( 0.3088235 0.1831246 0.9397519), wk = 0.0031746 k( 246) = ( 0.3235294 0.1918449 0.9296138), wk = 0.0031746 k( 247) = ( 0.3382353 0.2005651 0.9194757), wk = 0.0031746 k( 248) = ( 0.3529412 0.2092853 0.9093377), wk = 0.0031746 k( 249) = ( 0.3676471 0.2180055 0.8991996), wk = 0.0031746 k( 250) = ( 0.3823529 0.2267257 0.8890616), wk = 0.0031746 k( 251) = ( 0.3970588 0.2354460 0.8789235), wk = 0.0031746 k( 252) = ( 0.4117647 0.2441662 0.8687855), wk = 0.0031746 k( 253) = ( 0.4264706 0.2528864 0.8586474), wk = 0.0031746 k( 254) = ( 0.4411765 0.2616066 0.8485093), wk = 0.0031746 k( 255) = ( 0.4558823 0.2703268 0.8383713), wk = 0.0031746 k( 256) = ( 0.4705882 0.2790471 0.8282332), wk = 0.0031746 k( 257) = ( 0.4852941 0.2877673 0.8180952), wk = 0.0031746 k( 258) = ( 0.5000000 0.2964875 0.8079571), wk = 0.0031746 k( 259) = ( 0.5000000 0.2964875 0.8079571), wk = 0.0031746 k( 260) = ( 0.5000000 0.2964875 0.7877582), wk = 0.0031746 k( 261) = ( 0.5000000 0.2964875 0.7675593), wk = 0.0031746 k( 262) = ( 0.5000000 0.2964875 0.7473603), wk = 0.0031746 k( 263) = ( 0.5000000 0.2964875 0.7271614), wk = 0.0031746 k( 264) = ( 0.5000000 0.2964875 0.7069625), wk = 0.0031746 k( 265) = ( 0.5000000 0.2964875 0.6867635), wk = 0.0031746 k( 266) = ( 0.5000000 0.2964875 0.6665646), wk = 0.0031746 k( 267) = ( 0.5000000 0.2964875 0.6463657), wk = 0.0031746 k( 268) = ( 0.5000000 0.2964875 0.6261668), wk = 0.0031746 k( 269) = ( 0.5000000 0.2964875 0.6059678), wk = 0.0031746 k( 270) = ( 0.5000000 0.2964875 0.5857689), wk = 0.0031746 k( 271) = ( 0.5000000 0.2964875 0.5655700), wk = 0.0031746 k( 272) = ( 0.5000000 0.2964875 0.5453711), wk = 0.0031746 k( 273) = ( 0.5000000 0.2964875 0.5251721), wk = 0.0031746 k( 274) = ( 0.5000000 0.2964875 0.5049732), wk = 0.0031746 k( 275) = ( 0.5000000 0.2964875 0.4847743), wk = 0.0031746 k( 276) = ( 0.5000000 0.2964875 0.4645753), wk = 0.0031746 k( 277) = ( 0.5000000 0.2964875 0.4443764), wk = 0.0031746 k( 278) = ( 0.5000000 0.2964875 0.4241775), wk = 0.0031746 k( 279) = ( 0.5000000 0.2964875 0.4039786), wk = 0.0031746 k( 280) = ( 0.5000000 0.2964875 0.3837796), wk = 0.0031746 k( 281) = ( 0.5000000 0.2964875 0.3635807), wk = 0.0031746 k( 282) = ( 0.5000000 0.2964875 0.3433818), wk = 0.0031746 k( 283) = ( 0.5000000 0.2964875 0.3231828), wk = 0.0031746 k( 284) = ( 0.5000000 0.2964875 0.3029839), wk = 0.0031746 k( 285) = ( 0.5000000 0.2964875 0.2827850), wk = 0.0031746 k( 286) = ( 0.5000000 0.2964875 0.2625861), wk = 0.0031746 k( 287) = ( 0.5000000 0.2964875 0.2423871), wk = 0.0031746 k( 288) = ( 0.5000000 0.2964875 0.2221882), wk = 0.0031746 k( 289) = ( 0.5000000 0.2964875 0.2019893), wk = 0.0031746 k( 290) = ( 0.5000000 0.2964875 0.1817904), wk = 0.0031746 k( 291) = ( 0.5000000 0.2964875 0.1615914), wk = 0.0031746 k( 292) = ( 0.5000000 0.2964875 0.1413925), wk = 0.0031746 k( 293) = ( 0.5000000 0.2964875 0.1211936), wk = 0.0031746 k( 294) = ( 0.5000000 0.2964875 0.1009946), wk = 0.0031746 k( 295) = ( 0.5000000 0.2964875 0.0807957), wk = 0.0031746 k( 296) = ( 0.5000000 0.2964875 0.0605968), wk = 0.0031746 k( 297) = ( 0.5000000 0.2964875 0.0403979), wk = 0.0031746 k( 298) = ( 0.5000000 0.2964875 0.0201989), wk = 0.0031746 k( 299) = ( 0.5000000 0.2964875 -0.0000000), wk = 0.0031746 k( 300) = ( 0.0000000 0.0000000 0.9803041), wk = 0.0031746 k( 301) = ( 0.0166667 0.0098829 0.9803041), wk = 0.0031746 k( 302) = ( 0.0333333 0.0197658 0.9803041), wk = 0.0031746 k( 303) = ( 0.0500000 0.0296488 0.9803041), wk = 0.0031746 k( 304) = ( 0.0666667 0.0395317 0.9803041), wk = 0.0031746 k( 305) = ( 0.0833333 0.0494146 0.9803041), wk = 0.0031746 k( 306) = ( 0.1000000 0.0592975 0.9803041), wk = 0.0031746 k( 307) = ( 0.1166667 0.0691804 0.9803041), wk = 0.0031746 k( 308) = ( 0.1333333 0.0790633 0.9803041), wk = 0.0031746 k( 309) = ( 0.1500000 0.0889463 0.9803041), wk = 0.0031746 k( 310) = ( 0.1666667 0.0988292 0.9803041), wk = 0.0031746 k( 311) = ( 0.1833333 0.1087121 0.9803041), wk = 0.0031746 k( 312) = ( 0.2000000 0.1185950 0.9803041), wk = 0.0031746 k( 313) = ( 0.2166667 0.1284779 0.9803041), wk = 0.0031746 k( 314) = ( 0.2333333 0.1383608 0.9803041), wk = 0.0031746 k( 315) = ( 0.2500000 0.1482438 0.9803041), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0000000 0.0104167), wk = 0.0031746 k( 3) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0031746 k( 4) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0031746 k( 5) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031746 k( 6) = ( 0.0000000 0.0000000 0.0520833), wk = 0.0031746 k( 7) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0000000 0.0729167), wk = 0.0031746 k( 9) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031746 k( 10) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0031746 k( 11) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0031746 k( 12) = ( 0.0000000 0.0000000 0.1145833), wk = 0.0031746 k( 13) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031746 k( 14) = ( 0.0000000 0.0000000 0.1354167), wk = 0.0031746 k( 15) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0031746 k( 16) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0031746 k( 17) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031746 k( 18) = ( 0.0000000 0.0000000 0.1770833), wk = 0.0031746 k( 19) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0031746 k( 20) = ( 0.0000000 0.0000000 0.1979167), wk = 0.0031746 k( 21) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031746 k( 22) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0031746 k( 23) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0031746 k( 24) = ( 0.0000000 0.0000000 0.2395833), wk = 0.0031746 k( 25) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 26) = ( 0.0000000 0.0000000 0.2604167), wk = 0.0031746 k( 27) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0031746 k( 28) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0031746 k( 29) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031746 k( 30) = ( 0.0000000 0.0000000 0.3020833), wk = 0.0031746 k( 31) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0031746 k( 32) = ( 0.0000000 0.0000000 0.3229167), wk = 0.0031746 k( 33) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031746 k( 34) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0031746 k( 35) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0031746 k( 36) = ( 0.0000000 0.0000000 0.3645833), wk = 0.0031746 k( 37) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031746 k( 38) = ( 0.0000000 0.0000000 0.3854167), wk = 0.0031746 k( 39) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0031746 k( 40) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0031746 k( 41) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031746 k( 42) = ( 0.0000000 0.0000000 0.4270833), wk = 0.0031746 k( 43) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0031746 k( 44) = ( 0.0000000 0.0000000 0.4479167), wk = 0.0031746 k( 45) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031746 k( 46) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0031746 k( 47) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0031746 k( 48) = ( 0.0000000 0.0000000 0.4895833), wk = 0.0031746 k( 49) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 51) = ( -0.0097672 0.0097672 0.5000000), wk = 0.0031746 k( 52) = ( -0.0195344 0.0195344 0.5000000), wk = 0.0031746 k( 53) = ( -0.0293016 0.0293016 0.5000000), wk = 0.0031746 k( 54) = ( -0.0390688 0.0390688 0.5000000), wk = 0.0031746 k( 55) = ( -0.0488360 0.0488360 0.5000000), wk = 0.0031746 k( 56) = ( -0.0586032 0.0586032 0.5000000), wk = 0.0031746 k( 57) = ( -0.0683704 0.0683704 0.5000000), wk = 0.0031746 k( 58) = ( -0.0781376 0.0781376 0.5000000), wk = 0.0031746 k( 59) = ( -0.0879049 0.0879049 0.5000000), wk = 0.0031746 k( 60) = ( -0.0879049 0.0879049 0.5000000), wk = 0.0031746 k( 61) = ( -0.0952637 0.0952637 0.4926412), wk = 0.0031746 k( 62) = ( -0.1026225 0.1026225 0.4852823), wk = 0.0031746 k( 63) = ( -0.1099814 0.1099814 0.4779235), wk = 0.0031746 k( 64) = ( -0.1173402 0.1173402 0.4705646), wk = 0.0031746 k( 65) = ( -0.1246991 0.1246991 0.4632058), wk = 0.0031746 k( 66) = ( -0.1320579 0.1320579 0.4558469), wk = 0.0031746 k( 67) = ( -0.1394167 0.1394167 0.4484881), wk = 0.0031746 k( 68) = ( -0.1467756 0.1467756 0.4411293), wk = 0.0031746 k( 69) = ( -0.1541344 0.1541344 0.4337704), wk = 0.0031746 k( 70) = ( -0.1614933 0.1614933 0.4264116), wk = 0.0031746 k( 71) = ( -0.1688521 0.1688521 0.4190527), wk = 0.0031746 k( 72) = ( -0.1762110 0.1762109 0.4116939), wk = 0.0031746 k( 73) = ( -0.1835698 0.1835698 0.4043350), wk = 0.0031746 k( 74) = ( -0.1909286 0.1909286 0.3969762), wk = 0.0031746 k( 75) = ( -0.1982875 0.1982875 0.3896174), wk = 0.0031746 k( 76) = ( -0.2056463 0.2056463 0.3822585), wk = 0.0031746 k( 77) = ( -0.2130052 0.2130052 0.3748997), wk = 0.0031746 k( 78) = ( -0.2203640 0.2203640 0.3675408), wk = 0.0031746 k( 79) = ( -0.2277228 0.2277228 0.3601820), wk = 0.0031746 k( 80) = ( -0.2350817 0.2350817 0.3528232), wk = 0.0031746 k( 81) = ( -0.2424405 0.2424405 0.3454643), wk = 0.0031746 k( 82) = ( -0.2497994 0.2497994 0.3381055), wk = 0.0031746 k( 83) = ( -0.2571582 0.2571582 0.3307466), wk = 0.0031746 k( 84) = ( -0.2645170 0.2645170 0.3233878), wk = 0.0031746 k( 85) = ( -0.2718759 0.2718759 0.3160289), wk = 0.0031746 k( 86) = ( -0.2792347 0.2792347 0.3086701), wk = 0.0031746 k( 87) = ( -0.2865936 0.2865936 0.3013113), wk = 0.0031746 k( 88) = ( -0.2939524 0.2939524 0.2939524), wk = 0.0031746 k( 89) = ( -0.2939524 0.2939524 0.2939524), wk = 0.0031746 k( 90) = ( -0.2866036 0.2866036 0.2866036), wk = 0.0031746 k( 91) = ( -0.2792548 0.2792548 0.2792548), wk = 0.0031746 k( 92) = ( -0.2719060 0.2719060 0.2719060), wk = 0.0031746 k( 93) = ( -0.2645572 0.2645572 0.2645572), wk = 0.0031746 k( 94) = ( -0.2572084 0.2572084 0.2572084), wk = 0.0031746 k( 95) = ( -0.2498596 0.2498596 0.2498596), wk = 0.0031746 k( 96) = ( -0.2425107 0.2425107 0.2425107), wk = 0.0031746 k( 97) = ( -0.2351619 0.2351619 0.2351619), wk = 0.0031746 k( 98) = ( -0.2278131 0.2278131 0.2278131), wk = 0.0031746 k( 99) = ( -0.2204643 0.2204643 0.2204643), wk = 0.0031746 k( 100) = ( -0.2131155 0.2131155 0.2131155), wk = 0.0031746 k( 101) = ( -0.2057667 0.2057667 0.2057667), wk = 0.0031746 k( 102) = ( -0.1984179 0.1984179 0.1984179), wk = 0.0031746 k( 103) = ( -0.1910691 0.1910691 0.1910691), wk = 0.0031746 k( 104) = ( -0.1837203 0.1837203 0.1837203), wk = 0.0031746 k( 105) = ( -0.1763715 0.1763715 0.1763714), wk = 0.0031746 k( 106) = ( -0.1690226 0.1690226 0.1690226), wk = 0.0031746 k( 107) = ( -0.1616738 0.1616738 0.1616738), wk = 0.0031746 k( 108) = ( -0.1543250 0.1543250 0.1543250), wk = 0.0031746 k( 109) = ( -0.1469762 0.1469762 0.1469762), wk = 0.0031746 k( 110) = ( -0.1396274 0.1396274 0.1396274), wk = 0.0031746 k( 111) = ( -0.1322786 0.1322786 0.1322786), wk = 0.0031746 k( 112) = ( -0.1249298 0.1249298 0.1249298), wk = 0.0031746 k( 113) = ( -0.1175810 0.1175810 0.1175810), wk = 0.0031746 k( 114) = ( -0.1102322 0.1102322 0.1102322), wk = 0.0031746 k( 115) = ( -0.1028833 0.1028833 0.1028833), wk = 0.0031746 k( 116) = ( -0.0955345 0.0955345 0.0955345), wk = 0.0031746 k( 117) = ( -0.0881857 0.0881857 0.0881857), wk = 0.0031746 k( 118) = ( -0.0808369 0.0808369 0.0808369), wk = 0.0031746 k( 119) = ( -0.0734881 0.0734881 0.0734881), wk = 0.0031746 k( 120) = ( -0.0661393 0.0661393 0.0661393), wk = 0.0031746 k( 121) = ( -0.0587905 0.0587905 0.0587905), wk = 0.0031746 k( 122) = ( -0.0514417 0.0514417 0.0514417), wk = 0.0031746 k( 123) = ( -0.0440929 0.0440929 0.0440929), wk = 0.0031746 k( 124) = ( -0.0367441 0.0367440 0.0367441), wk = 0.0031746 k( 125) = ( -0.0293952 0.0293952 0.0293952), wk = 0.0031746 k( 126) = ( -0.0220464 0.0220464 0.0220464), wk = 0.0031746 k( 127) = ( -0.0146976 0.0146976 0.0146976), wk = 0.0031746 k( 128) = ( -0.0073488 0.0073488 0.0073488), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 131) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0031746 k( 132) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0031746 k( 133) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0031746 k( 134) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0031746 k( 135) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0031746 k( 136) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0031746 k( 137) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0031746 k( 138) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0031746 k( 139) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0031746 k( 140) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0031746 k( 141) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0031746 k( 142) = ( 0.2068966 0.2068965 -0.2068965), wk = 0.0031746 k( 143) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0031746 k( 144) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0031746 k( 145) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0031746 k( 146) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0031746 k( 147) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0031746 k( 148) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0031746 k( 149) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0031746 k( 150) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0031746 k( 151) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0031746 k( 152) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0031746 k( 153) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0031746 k( 154) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0031746 k( 155) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0031746 k( 156) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0031746 k( 157) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0031746 k( 158) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0031746 k( 159) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031746 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031746 k( 161) = ( 0.4926412 0.5073588 -0.4926412), wk = 0.0031746 k( 162) = ( 0.4852823 0.5147177 -0.4852823), wk = 0.0031746 k( 163) = ( 0.4779235 0.5220765 -0.4779235), wk = 0.0031746 k( 164) = ( 0.4705646 0.5294354 -0.4705646), wk = 0.0031746 k( 165) = ( 0.4632058 0.5367942 -0.4632058), wk = 0.0031746 k( 166) = ( 0.4558469 0.5441531 -0.4558469), wk = 0.0031746 k( 167) = ( 0.4484881 0.5515119 -0.4484881), wk = 0.0031746 k( 168) = ( 0.4411293 0.5588707 -0.4411293), wk = 0.0031746 k( 169) = ( 0.4337704 0.5662296 -0.4337704), wk = 0.0031746 k( 170) = ( 0.4264116 0.5735884 -0.4264116), wk = 0.0031746 k( 171) = ( 0.4190527 0.5809473 -0.4190527), wk = 0.0031746 k( 172) = ( 0.4116939 0.5883061 -0.4116939), wk = 0.0031746 k( 173) = ( 0.4043350 0.5956649 -0.4043350), wk = 0.0031746 k( 174) = ( 0.3969762 0.6030238 -0.3969762), wk = 0.0031746 k( 175) = ( 0.3896174 0.6103826 -0.3896174), wk = 0.0031746 k( 176) = ( 0.3822585 0.6177415 -0.3822585), wk = 0.0031746 k( 177) = ( 0.3748997 0.6251003 -0.3748997), wk = 0.0031746 k( 178) = ( 0.3675408 0.6324592 -0.3675408), wk = 0.0031746 k( 179) = ( 0.3601820 0.6398180 -0.3601820), wk = 0.0031746 k( 180) = ( 0.3528232 0.6471768 -0.3528232), wk = 0.0031746 k( 181) = ( 0.3454643 0.6545357 -0.3454643), wk = 0.0031746 k( 182) = ( 0.3381055 0.6618945 -0.3381055), wk = 0.0031746 k( 183) = ( 0.3307466 0.6692534 -0.3307466), wk = 0.0031746 k( 184) = ( 0.3233878 0.6766122 -0.3233878), wk = 0.0031746 k( 185) = ( 0.3160289 0.6839710 -0.3160289), wk = 0.0031746 k( 186) = ( 0.3086701 0.6913299 -0.3086701), wk = 0.0031746 k( 187) = ( 0.3013113 0.6986887 -0.3013113), wk = 0.0031746 k( 188) = ( 0.2939524 0.7060476 -0.2939524), wk = 0.0031746 k( 189) = ( 0.2939524 0.7060476 -0.2939524), wk = 0.0031746 k( 190) = ( 0.2755804 0.6931696 -0.2755804), wk = 0.0031746 k( 191) = ( 0.2572084 0.6802916 -0.2572084), wk = 0.0031746 k( 192) = ( 0.2388363 0.6674137 -0.2388363), wk = 0.0031746 k( 193) = ( 0.2204643 0.6545357 -0.2204643), wk = 0.0031746 k( 194) = ( 0.2020923 0.6416577 -0.2020923), wk = 0.0031746 k( 195) = ( 0.1837203 0.6287797 -0.1837203), wk = 0.0031746 k( 196) = ( 0.1653482 0.6159018 -0.1653482), wk = 0.0031746 k( 197) = ( 0.1469762 0.6030238 -0.1469762), wk = 0.0031746 k( 198) = ( 0.1286042 0.5901458 -0.1286042), wk = 0.0031746 k( 199) = ( 0.1102322 0.5772678 -0.1102322), wk = 0.0031746 k( 200) = ( 0.0918601 0.5643899 -0.0918601), wk = 0.0031746 k( 201) = ( 0.0734881 0.5515119 -0.0734881), wk = 0.0031746 k( 202) = ( 0.0551161 0.5386339 -0.0551161), wk = 0.0031746 k( 203) = ( 0.0367441 0.5257559 -0.0367440), wk = 0.0031746 k( 204) = ( 0.0183720 0.5128780 -0.0183720), wk = 0.0031746 k( 205) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 206) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 207) = ( 0.0073529 0.4926471 0.0073529), wk = 0.0031746 k( 208) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0031746 k( 209) = ( 0.0220588 0.4779412 0.0220588), wk = 0.0031746 k( 210) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0031746 k( 211) = ( 0.0367647 0.4632353 0.0367647), wk = 0.0031746 k( 212) = ( 0.0441177 0.4558824 0.0441176), wk = 0.0031746 k( 213) = ( 0.0514706 0.4485294 0.0514706), wk = 0.0031746 k( 214) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0031746 k( 215) = ( 0.0661765 0.4338235 0.0661765), wk = 0.0031746 k( 216) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0031746 k( 217) = ( 0.0808824 0.4191176 0.0808823), wk = 0.0031746 k( 218) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0031746 k( 219) = ( 0.0955882 0.4044118 0.0955882), wk = 0.0031746 k( 220) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0031746 k( 221) = ( 0.1102941 0.3897059 0.1102941), wk = 0.0031746 k( 222) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0031746 k( 223) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0031746 k( 224) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0031746 k( 225) = ( 0.1397059 0.3602941 0.1397059), wk = 0.0031746 k( 226) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0031746 k( 227) = ( 0.1544118 0.3455882 0.1544118), wk = 0.0031746 k( 228) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0031746 k( 229) = ( 0.1691177 0.3308823 0.1691176), wk = 0.0031746 k( 230) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0031746 k( 231) = ( 0.1838235 0.3161765 0.1838235), wk = 0.0031746 k( 232) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0031746 k( 233) = ( 0.1985294 0.3014706 0.1985294), wk = 0.0031746 k( 234) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0031746 k( 235) = ( 0.2132353 0.2867647 0.2132353), wk = 0.0031746 k( 236) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0031746 k( 237) = ( 0.2279412 0.2720588 0.2279412), wk = 0.0031746 k( 238) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0031746 k( 239) = ( 0.2426471 0.2573529 0.2426471), wk = 0.0031746 k( 240) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 241) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 242) = ( 0.2647059 0.2647059 0.2301232), wk = 0.0031746 k( 243) = ( 0.2794118 0.2794118 0.2102465), wk = 0.0031746 k( 244) = ( 0.2941177 0.2941177 0.1903697), wk = 0.0031746 k( 245) = ( 0.3088235 0.3088235 0.1704930), wk = 0.0031746 k( 246) = ( 0.3235294 0.3235294 0.1506162), wk = 0.0031746 k( 247) = ( 0.3382353 0.3382353 0.1307395), wk = 0.0031746 k( 248) = ( 0.3529412 0.3529412 0.1108627), wk = 0.0031746 k( 249) = ( 0.3676471 0.3676471 0.0909859), wk = 0.0031746 k( 250) = ( 0.3823529 0.3823529 0.0711092), wk = 0.0031746 k( 251) = ( 0.3970588 0.3970588 0.0512324), wk = 0.0031746 k( 252) = ( 0.4117647 0.4117647 0.0313557), wk = 0.0031746 k( 253) = ( 0.4264706 0.4264706 0.0114789), wk = 0.0031746 k( 254) = ( 0.4411765 0.4411765 -0.0083978), wk = 0.0031746 k( 255) = ( 0.4558823 0.4558824 -0.0282746), wk = 0.0031746 k( 256) = ( 0.4705882 0.4705882 -0.0481513), wk = 0.0031746 k( 257) = ( 0.4852941 0.4852941 -0.0680281), wk = 0.0031746 k( 258) = ( 0.5000000 0.5000000 -0.0879049), wk = 0.0031746 k( 259) = ( 0.5000000 0.5000000 -0.0879049), wk = 0.0031746 k( 260) = ( 0.5000000 0.5000000 -0.0982072), wk = 0.0031746 k( 261) = ( 0.5000000 0.5000000 -0.1085096), wk = 0.0031746 k( 262) = ( 0.5000000 0.5000000 -0.1188120), wk = 0.0031746 k( 263) = ( 0.5000000 0.5000000 -0.1291144), wk = 0.0031746 k( 264) = ( 0.5000000 0.5000000 -0.1394167), wk = 0.0031746 k( 265) = ( 0.5000000 0.5000000 -0.1497191), wk = 0.0031746 k( 266) = ( 0.5000000 0.5000000 -0.1600215), wk = 0.0031746 k( 267) = ( 0.5000000 0.5000000 -0.1703239), wk = 0.0031746 k( 268) = ( 0.5000000 0.5000000 -0.1806263), wk = 0.0031746 k( 269) = ( 0.5000000 0.5000000 -0.1909286), wk = 0.0031746 k( 270) = ( 0.5000000 0.5000000 -0.2012310), wk = 0.0031746 k( 271) = ( 0.5000000 0.5000000 -0.2115334), wk = 0.0031746 k( 272) = ( 0.5000000 0.5000000 -0.2218358), wk = 0.0031746 k( 273) = ( 0.5000000 0.5000000 -0.2321382), wk = 0.0031746 k( 274) = ( 0.5000000 0.5000000 -0.2424405), wk = 0.0031746 k( 275) = ( 0.5000000 0.5000000 -0.2527429), wk = 0.0031746 k( 276) = ( 0.5000000 0.5000000 -0.2630453), wk = 0.0031746 k( 277) = ( 0.5000000 0.5000000 -0.2733477), wk = 0.0031746 k( 278) = ( 0.5000000 0.5000000 -0.2836500), wk = 0.0031746 k( 279) = ( 0.5000000 0.5000000 -0.2939524), wk = 0.0031746 k( 280) = ( 0.5000000 0.5000000 -0.3042548), wk = 0.0031746 k( 281) = ( 0.5000000 0.5000000 -0.3145572), wk = 0.0031746 k( 282) = ( 0.5000000 0.5000000 -0.3248596), wk = 0.0031746 k( 283) = ( 0.5000000 0.5000000 -0.3351619), wk = 0.0031746 k( 284) = ( 0.5000000 0.5000000 -0.3454643), wk = 0.0031746 k( 285) = ( 0.5000000 0.5000000 -0.3557667), wk = 0.0031746 k( 286) = ( 0.5000000 0.5000000 -0.3660691), wk = 0.0031746 k( 287) = ( 0.5000000 0.5000000 -0.3763714), wk = 0.0031746 k( 288) = ( 0.5000000 0.5000000 -0.3866738), wk = 0.0031746 k( 289) = ( 0.5000000 0.5000000 -0.3969762), wk = 0.0031746 k( 290) = ( 0.5000000 0.5000000 -0.4072786), wk = 0.0031746 k( 291) = ( 0.5000000 0.5000000 -0.4175810), wk = 0.0031746 k( 292) = ( 0.5000000 0.5000000 -0.4278833), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 -0.4381857), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 -0.4484881), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 -0.4587905), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 -0.4690929), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 -0.4793952), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 -0.4896976), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031746 k( 300) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 301) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0031746 k( 302) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0031746 k( 303) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0031746 k( 304) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0031746 k( 305) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031746 k( 306) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0031746 k( 307) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0031746 k( 308) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0031746 k( 309) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0031746 k( 310) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031746 k( 311) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0031746 k( 312) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0031746 k( 313) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0031746 k( 314) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0031746 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 Dense grid: 103713 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 49607 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 358, 46) NL pseudopotentials 0.36 Mb ( 179, 131) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2882) G-vector shells 0.01 Mb ( 1308) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 358, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.18 Mb ( 131, 2, 46) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./BaxMgSix2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.4 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.3 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.6 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.8 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.1 secs Computing kpt #: 28 total cpu time spent up to now is 19.7 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.4 secs Computing kpt #: 32 total cpu time spent up to now is 22.0 secs Computing kpt #: 33 total cpu time spent up to now is 22.5 secs Computing kpt #: 34 total cpu time spent up to now is 23.1 secs Computing kpt #: 35 total cpu time spent up to now is 23.7 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.8 secs Computing kpt #: 38 total cpu time spent up to now is 25.4 secs Computing kpt #: 39 total cpu time spent up to now is 26.0 secs Computing kpt #: 40 total cpu time spent up to now is 26.6 secs Computing kpt #: 41 total cpu time spent up to now is 27.3 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.9 secs Computing kpt #: 44 total cpu time spent up to now is 29.7 secs Computing kpt #: 45 total cpu time spent up to now is 30.4 secs Computing kpt #: 46 total cpu time spent up to now is 31.2 secs Computing kpt #: 47 total cpu time spent up to now is 31.9 secs Computing kpt #: 48 total cpu time spent up to now is 32.6 secs Computing kpt #: 49 total cpu time spent up to now is 36.1 secs Computing kpt #: 50 total cpu time spent up to now is 36.9 secs Computing kpt #: 51 total cpu time spent up to now is 37.6 secs Computing kpt #: 52 total cpu time spent up to now is 38.4 secs Computing kpt #: 53 total cpu time spent up to now is 39.1 secs Computing kpt #: 54 total cpu time spent up to now is 39.8 secs Computing kpt #: 55 total cpu time spent up to now is 40.6 secs Computing kpt #: 56 total cpu time spent up to now is 41.3 secs Computing kpt #: 57 total cpu time spent up to now is 42.0 secs Computing kpt #: 58 total cpu time spent up to now is 42.8 secs Computing kpt #: 59 total cpu time spent up to now is 43.6 secs Computing kpt #: 60 total cpu time spent up to now is 44.3 secs Computing kpt #: 61 total cpu time spent up to now is 45.0 secs Computing kpt #: 62 total cpu time spent up to now is 46.0 secs Computing kpt #: 63 total cpu time spent up to now is 46.7 secs Computing kpt #: 64 total cpu time spent up to now is 47.5 secs Computing kpt #: 65 total cpu time spent up to now is 48.2 secs Computing kpt #: 66 total cpu time spent up to now is 48.9 secs Computing kpt #: 67 total cpu time spent up to now is 49.7 secs Computing kpt #: 68 total cpu time spent up to now is 50.4 secs Computing kpt #: 69 total cpu time spent up to now is 51.1 secs Computing kpt #: 70 total cpu time spent up to now is 51.8 secs Computing kpt #: 71 total cpu time spent up to now is 52.6 secs Computing kpt #: 72 total cpu time spent up to now is 53.3 secs Computing kpt #: 73 total cpu time spent up to now is 53.9 secs Computing kpt #: 74 total cpu time spent up to now is 54.6 secs Computing kpt #: 75 total cpu time spent up to now is 55.2 secs Computing kpt #: 76 total cpu time spent up to now is 55.8 secs Computing kpt #: 77 total cpu time spent up to now is 56.4 secs Computing kpt #: 78 total cpu time spent up to now is 57.0 secs Computing kpt #: 79 total cpu time spent up to now is 57.6 secs Computing kpt #: 80 total cpu time spent up to now is 58.3 secs Computing kpt #: 81 total cpu time spent up to now is 58.9 secs Computing kpt #: 82 total cpu time spent up to now is 59.5 secs Computing kpt #: 83 total cpu time spent up to now is 60.1 secs Computing kpt #: 84 total cpu time spent up to now is 60.7 secs Computing kpt #: 85 total cpu time spent up to now is 61.4 secs Computing kpt #: 86 total cpu time spent up to now is 62.0 secs Computing kpt #: 87 total cpu time spent up to now is 62.6 secs Computing kpt #: 88 total cpu time spent up to now is 63.3 secs Computing kpt #: 89 total cpu time spent up to now is 63.9 secs Computing kpt #: 90 total cpu time spent up to now is 64.5 secs Computing kpt #: 91 total cpu time spent up to now is 65.2 secs Computing kpt #: 92 total cpu time spent up to now is 65.8 secs Computing kpt #: 93 total cpu time spent up to now is 66.4 secs Computing kpt #: 94 total cpu time spent up to now is 67.0 secs Computing kpt #: 95 total cpu time spent up to now is 67.7 secs Computing kpt #: 96 total cpu time spent up to now is 68.3 secs Computing kpt #: 97 total cpu time spent up to now is 69.0 secs Computing kpt #: 98 total cpu time spent up to now is 69.6 secs Computing kpt #: 99 total cpu time spent up to now is 70.2 secs Computing kpt #: 100 total cpu time spent up to now is 70.8 secs Computing kpt #: 101 total cpu time spent up to now is 71.5 secs Computing kpt #: 102 total cpu time spent up to now is 72.1 secs Computing kpt #: 103 total cpu time spent up to now is 72.8 secs Computing kpt #: 104 total cpu time spent up to now is 73.4 secs Computing kpt #: 105 total cpu time spent up to now is 74.0 secs Computing kpt #: 106 total cpu time spent up to now is 74.7 secs Computing kpt #: 107 total cpu time spent up to now is 75.3 secs Computing kpt #: 108 total cpu time spent up to now is 76.0 secs Computing kpt #: 109 total cpu time spent up to now is 76.7 secs Computing kpt #: 110 total cpu time spent up to now is 77.3 secs Computing kpt #: 111 total cpu time spent up to now is 77.9 secs Computing kpt #: 112 total cpu time spent up to now is 78.5 secs Computing kpt #: 113 total cpu time spent up to now is 79.1 secs Computing kpt #: 114 total cpu time spent up to now is 79.7 secs Computing kpt #: 115 total cpu time spent up to now is 80.3 secs Computing kpt #: 116 total cpu time spent up to now is 80.9 secs Computing kpt #: 117 total cpu time spent up to now is 81.5 secs Computing kpt #: 118 total cpu time spent up to now is 82.1 secs Computing kpt #: 119 total cpu time spent up to now is 82.7 secs Computing kpt #: 120 total cpu time spent up to now is 83.3 secs Computing kpt #: 121 total cpu time spent up to now is 83.9 secs Computing kpt #: 122 total cpu time spent up to now is 84.4 secs Computing kpt #: 123 total cpu time spent up to now is 85.0 secs Computing kpt #: 124 total cpu time spent up to now is 85.5 secs Computing kpt #: 125 total cpu time spent up to now is 86.1 secs Computing kpt #: 126 total cpu time spent up to now is 86.6 secs Computing kpt #: 127 total cpu time spent up to now is 87.2 secs Computing kpt #: 128 total cpu time spent up to now is 87.8 secs Computing kpt #: 129 total cpu time spent up to now is 88.3 secs Computing kpt #: 130 total cpu time spent up to now is 88.9 secs Computing kpt #: 131 total cpu time spent up to now is 89.4 secs Computing kpt #: 132 total cpu time spent up to now is 90.0 secs Computing kpt #: 133 total cpu time spent up to now is 90.6 secs Computing kpt #: 134 total cpu time spent up to now is 91.1 secs Computing kpt #: 135 total cpu time spent up to now is 91.7 secs Computing kpt #: 136 total cpu time spent up to now is 92.2 secs Computing kpt #: 137 total cpu time spent up to now is 92.8 secs Computing kpt #: 138 total cpu time spent up to now is 93.4 secs Computing kpt #: 139 total cpu time spent up to now is 93.9 secs Computing kpt #: 140 total cpu time spent up to now is 94.5 secs Computing kpt #: 141 total cpu time spent up to now is 95.1 secs Computing kpt #: 142 total cpu time spent up to now is 95.9 secs Computing kpt #: 143 total cpu time spent up to now is 96.5 secs Computing kpt #: 144 total cpu time spent up to now is 97.1 secs Computing kpt #: 145 total cpu time spent up to now is 97.7 secs Computing kpt #: 146 total cpu time spent up to now is 98.3 secs Computing kpt #: 147 total cpu time spent up to now is 99.0 secs Computing kpt #: 148 total cpu time spent up to now is 99.6 secs Computing kpt #: 149 total cpu time spent up to now is 100.3 secs Computing kpt #: 150 total cpu time spent up to now is 101.0 secs Computing kpt #: 151 total cpu time spent up to now is 101.8 secs Computing kpt #: 152 total cpu time spent up to now is 102.6 secs Computing kpt #: 153 total cpu time spent up to now is 103.3 secs Computing kpt #: 154 total cpu time spent up to now is 104.1 secs Computing kpt #: 155 total cpu time spent up to now is 104.8 secs Computing kpt #: 156 total cpu time spent up to now is 105.6 secs Computing kpt #: 157 total cpu time spent up to now is 106.3 secs Computing kpt #: 158 total cpu time spent up to now is 107.2 secs Computing kpt #: 159 total cpu time spent up to now is 107.9 secs Computing kpt #: 160 total cpu time spent up to now is 108.8 secs Computing kpt #: 161 total cpu time spent up to now is 109.6 secs Computing kpt #: 162 total cpu time spent up to now is 110.3 secs Computing kpt #: 163 total cpu time spent up to now is 111.0 secs Computing kpt #: 164 total cpu time spent up to now is 111.8 secs Computing kpt #: 165 total cpu time spent up to now is 112.5 secs Computing kpt #: 166 total cpu time spent up to now is 113.1 secs Computing kpt #: 167 total cpu time spent up to now is 113.7 secs Computing kpt #: 168 total cpu time spent up to now is 114.3 secs Computing kpt #: 169 total cpu time spent up to now is 114.9 secs Computing kpt #: 170 total cpu time spent up to now is 115.5 secs Computing kpt #: 171 total cpu time spent up to now is 116.1 secs Computing kpt #: 172 total cpu time spent up to now is 116.7 secs Computing kpt #: 173 total cpu time spent up to now is 117.3 secs Computing kpt #: 174 total cpu time spent up to now is 117.9 secs Computing kpt #: 175 total cpu time spent up to now is 118.5 secs Computing kpt #: 176 total cpu time spent up to now is 119.1 secs Computing kpt #: 177 total cpu time spent up to now is 119.8 secs Computing kpt #: 178 total cpu time spent up to now is 120.4 secs Computing kpt #: 179 total cpu time spent up to now is 121.0 secs Computing kpt #: 180 total cpu time spent up to now is 121.7 secs Computing kpt #: 181 total cpu time spent up to now is 122.3 secs Computing kpt #: 182 total cpu time spent up to now is 122.9 secs Computing kpt #: 183 total cpu time spent up to now is 123.5 secs Computing kpt #: 184 total cpu time spent up to now is 124.2 secs Computing kpt #: 185 total cpu time spent up to now is 124.8 secs Computing kpt #: 186 total cpu time spent up to now is 125.4 secs Computing kpt #: 187 total cpu time spent up to now is 126.1 secs Computing kpt #: 188 total cpu time spent up to now is 126.7 secs Computing kpt #: 189 total cpu time spent up to now is 127.3 secs Computing kpt #: 190 total cpu time spent up to now is 128.0 secs Computing kpt #: 191 total cpu time spent up to now is 128.6 secs Computing kpt #: 192 total cpu time spent up to now is 129.2 secs Computing kpt #: 193 total cpu time spent up to now is 129.8 secs Computing kpt #: 194 total cpu time spent up to now is 130.5 secs Computing kpt #: 195 total cpu time spent up to now is 131.1 secs Computing kpt #: 196 total cpu time spent up to now is 131.7 secs Computing kpt #: 197 total cpu time spent up to now is 132.3 secs Computing kpt #: 198 total cpu time spent up to now is 132.9 secs Computing kpt #: 199 total cpu time spent up to now is 133.5 secs Computing kpt #: 200 total cpu time spent up to now is 134.1 secs Computing kpt #: 201 total cpu time spent up to now is 134.6 secs Computing kpt #: 202 total cpu time spent up to now is 135.2 secs Computing kpt #: 203 total cpu time spent up to now is 135.8 secs Computing kpt #: 204 total cpu time spent up to now is 136.4 secs Computing kpt #: 205 total cpu time spent up to now is 137.0 secs Computing kpt #: 206 total cpu time spent up to now is 137.6 secs Computing kpt #: 207 total cpu time spent up to now is 138.2 secs Computing kpt #: 208 total cpu time spent up to now is 138.8 secs Computing kpt #: 209 total cpu time spent up to now is 139.4 secs Computing kpt #: 210 total cpu time spent up to now is 140.0 secs Computing kpt #: 211 total cpu time spent up to now is 140.6 secs Computing kpt #: 212 total cpu time spent up to now is 141.1 secs Computing kpt #: 213 total cpu time spent up to now is 141.7 secs Computing kpt #: 214 total cpu time spent up to now is 142.3 secs Computing kpt #: 215 total cpu time spent up to now is 142.9 secs Computing kpt #: 216 total cpu time spent up to now is 143.5 secs Computing kpt #: 217 total cpu time spent up to now is 144.1 secs Computing kpt #: 218 total cpu time spent up to now is 144.7 secs Computing kpt #: 219 total cpu time spent up to now is 145.3 secs Computing kpt #: 220 total cpu time spent up to now is 145.9 secs Computing kpt #: 221 total cpu time spent up to now is 146.5 secs Computing kpt #: 222 total cpu time spent up to now is 147.1 secs Computing kpt #: 223 total cpu time spent up to now is 147.7 secs Computing kpt #: 224 total cpu time spent up to now is 148.3 secs Computing kpt #: 225 total cpu time spent up to now is 148.9 secs Computing kpt #: 226 total cpu time spent up to now is 149.5 secs Computing kpt #: 227 total cpu time spent up to now is 150.0 secs Computing kpt #: 228 total cpu time spent up to now is 150.6 secs Computing kpt #: 229 total cpu time spent up to now is 151.2 secs Computing kpt #: 230 total cpu time spent up to now is 151.7 secs Computing kpt #: 231 total cpu time spent up to now is 152.3 secs Computing kpt #: 232 total cpu time spent up to now is 152.9 secs Computing kpt #: 233 total cpu time spent up to now is 153.4 secs Computing kpt #: 234 total cpu time spent up to now is 154.0 secs Computing kpt #: 235 total cpu time spent up to now is 154.6 secs Computing kpt #: 236 total cpu time spent up to now is 155.1 secs Computing kpt #: 237 total cpu time spent up to now is 155.7 secs Computing kpt #: 238 total cpu time spent up to now is 156.3 secs Computing kpt #: 239 total cpu time spent up to now is 156.8 secs Computing kpt #: 240 total cpu time spent up to now is 157.4 secs Computing kpt #: 241 total cpu time spent up to now is 158.0 secs Computing kpt #: 242 total cpu time spent up to now is 158.5 secs Computing kpt #: 243 total cpu time spent up to now is 159.1 secs Computing kpt #: 244 total cpu time spent up to now is 159.7 secs Computing kpt #: 245 total cpu time spent up to now is 160.3 secs Computing kpt #: 246 total cpu time spent up to now is 160.9 secs Computing kpt #: 247 total cpu time spent up to now is 161.4 secs Computing kpt #: 248 total cpu time spent up to now is 162.0 secs Computing kpt #: 249 total cpu time spent up to now is 162.6 secs Computing kpt #: 250 total cpu time spent up to now is 163.2 secs Computing kpt #: 251 total cpu time spent up to now is 163.8 secs Computing kpt #: 252 total cpu time spent up to now is 164.4 secs Computing kpt #: 253 total cpu time spent up to now is 165.0 secs Computing kpt #: 254 total cpu time spent up to now is 165.7 secs Computing kpt #: 255 total cpu time spent up to now is 166.3 secs Computing kpt #: 256 total cpu time spent up to now is 166.9 secs Computing kpt #: 257 total cpu time spent up to now is 167.6 secs Computing kpt #: 258 total cpu time spent up to now is 168.3 secs Computing kpt #: 259 total cpu time spent up to now is 169.1 secs Computing kpt #: 260 total cpu time spent up to now is 169.8 secs Computing kpt #: 261 total cpu time spent up to now is 171.2 secs Computing kpt #: 262 total cpu time spent up to now is 172.0 secs Computing kpt #: 263 total cpu time spent up to now is 172.8 secs Computing kpt #: 264 total cpu time spent up to now is 173.5 secs Computing kpt #: 265 total cpu time spent up to now is 174.2 secs Computing kpt #: 266 total cpu time spent up to now is 174.9 secs Computing kpt #: 267 total cpu time spent up to now is 175.7 secs Computing kpt #: 268 total cpu time spent up to now is 176.3 secs Computing kpt #: 269 total cpu time spent up to now is 177.0 secs Computing kpt #: 270 total cpu time spent up to now is 177.6 secs Computing kpt #: 271 total cpu time spent up to now is 178.2 secs Computing kpt #: 272 total cpu time spent up to now is 178.8 secs Computing kpt #: 273 total cpu time spent up to now is 179.4 secs Computing kpt #: 274 total cpu time spent up to now is 180.0 secs Computing kpt #: 275 total cpu time spent up to now is 180.6 secs Computing kpt #: 276 total cpu time spent up to now is 181.2 secs Computing kpt #: 277 total cpu time spent up to now is 181.9 secs Computing kpt #: 278 total cpu time spent up to now is 182.5 secs Computing kpt #: 279 total cpu time spent up to now is 183.1 secs Computing kpt #: 280 total cpu time spent up to now is 183.8 secs Computing kpt #: 281 total cpu time spent up to now is 184.4 secs Computing kpt #: 282 total cpu time spent up to now is 185.0 secs Computing kpt #: 283 total cpu time spent up to now is 185.6 secs Computing kpt #: 284 total cpu time spent up to now is 186.2 secs Computing kpt #: 285 total cpu time spent up to now is 186.8 secs Computing kpt #: 286 total cpu time spent up to now is 187.4 secs Computing kpt #: 287 total cpu time spent up to now is 188.1 secs Computing kpt #: 288 total cpu time spent up to now is 188.7 secs Computing kpt #: 289 total cpu time spent up to now is 189.3 secs Computing kpt #: 290 total cpu time spent up to now is 190.0 secs Computing kpt #: 291 total cpu time spent up to now is 190.6 secs Computing kpt #: 292 total cpu time spent up to now is 191.2 secs Computing kpt #: 293 total cpu time spent up to now is 191.8 secs Computing kpt #: 294 total cpu time spent up to now is 192.5 secs Computing kpt #: 295 total cpu time spent up to now is 193.1 secs Computing kpt #: 296 total cpu time spent up to now is 193.8 secs Computing kpt #: 297 total cpu time spent up to now is 194.5 secs Computing kpt #: 298 total cpu time spent up to now is 195.2 secs Computing kpt #: 299 total cpu time spent up to now is 196.1 secs Computing kpt #: 300 total cpu time spent up to now is 196.8 secs Computing kpt #: 301 total cpu time spent up to now is 197.6 secs Computing kpt #: 302 total cpu time spent up to now is 198.3 secs Computing kpt #: 303 total cpu time spent up to now is 199.1 secs Computing kpt #: 304 total cpu time spent up to now is 199.9 secs Computing kpt #: 305 total cpu time spent up to now is 200.6 secs Computing kpt #: 306 total cpu time spent up to now is 201.3 secs Computing kpt #: 307 total cpu time spent up to now is 201.9 secs Computing kpt #: 308 total cpu time spent up to now is 202.5 secs Computing kpt #: 309 total cpu time spent up to now is 203.1 secs Computing kpt #: 310 total cpu time spent up to now is 203.6 secs Computing kpt #: 311 total cpu time spent up to now is 204.2 secs Computing kpt #: 312 total cpu time spent up to now is 204.8 secs Computing kpt #: 313 total cpu time spent up to now is 205.3 secs Computing kpt #: 314 total cpu time spent up to now is 205.9 secs Computing kpt #: 315 total cpu time spent up to now is 206.5 secs ethr = 2.63E-08, avg # of iterations = 19.4 total cpu time spent up to now is 206.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6193 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9362 -6.9362 -5.0250 -5.0250 -4.8445 -4.8445 -1.6498 -1.6498 1.7607 1.7607 3.0395 3.0395 5.9757 5.9757 5.9857 5.9857 6.8402 6.8402 6.9391 6.9391 7.6000 7.6000 8.9957 8.9957 9.0442 9.0442 10.0399 10.0399 k = 0.0000 0.0000 0.0204 ( 6171 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9363 -6.9363 -5.0251 -5.0251 -4.8450 -4.8450 -1.6481 -1.6481 1.7598 1.7598 3.0403 3.0403 5.9734 5.9734 5.9851 5.9851 6.8318 6.8318 6.9296 6.9296 7.6117 7.6117 8.9956 8.9956 9.0517 9.0517 10.0481 10.0481 k = 0.0000 0.0000 0.0408 ( 6175 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2470 -20.2470 -6.9366 -6.9366 -5.0255 -5.0255 -4.8463 -4.8463 -1.6430 -1.6430 1.7572 1.7572 3.0430 3.0430 5.9606 5.9606 5.9891 5.9891 6.8074 6.8074 6.9025 6.9025 7.6451 7.6451 8.9952 8.9952 9.0743 9.0743 10.0713 10.0713 k = 0.0000 0.0000 0.0613 ( 6169 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9103 -34.9103 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2469 -20.2469 -6.9372 -6.9372 -5.0260 -5.0260 -4.8486 -4.8486 -1.6346 -1.6346 1.7528 1.7528 3.0473 3.0473 5.9372 5.9372 5.9984 5.9984 6.7691 6.7691 6.8609 6.8609 7.6965 7.6965 8.9948 8.9948 9.1114 9.1114 10.1050 10.1050 k = 0.0000 0.0000 0.0817 ( 6165 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9103 -34.9103 -34.9004 -34.9004 -34.8992 -34.8992 -34.8983 -34.8983 -20.2467 -20.2467 -6.9380 -6.9380 -5.0267 -5.0267 -4.8517 -4.8517 -1.6230 -1.6230 1.7467 1.7467 3.0532 3.0532 5.9048 5.9048 6.0117 6.0117 6.7185 6.7185 6.8091 6.8091 7.7620 7.7620 8.9944 8.9944 9.1623 9.1623 10.1425 10.1425 k = 0.0000 0.0000 0.1021 ( 6167 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1866 -35.1866 -34.9102 -34.9102 -34.9004 -34.9004 -34.8993 -34.8993 -34.8983 -34.8983 -20.2465 -20.2465 -6.9390 -6.9390 -5.0277 -5.0277 -4.8556 -4.8556 -1.6081 -1.6081 1.7391 1.7391 3.0607 3.0607 5.8645 5.8645 6.0285 6.0285 6.6566 6.6566 6.7518 6.7518 7.8383 7.8383 8.9945 8.9945 9.2262 9.2262 10.1776 10.1776 k = 0.0000 0.0000 0.1225 ( 6171 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1866 -35.1866 -34.9102 -34.9102 -34.9004 -34.9004 -34.8994 -34.8994 -34.8983 -34.8983 -20.2463 -20.2463 -6.9402 -6.9402 -5.0288 -5.0288 -4.8603 -4.8603 -1.5903 -1.5903 1.7300 1.7300 3.0696 3.0696 5.8174 5.8174 6.0484 6.0484 6.5839 6.5839 6.6935 6.6935 7.9231 7.9231 8.9954 8.9954 9.3022 9.3022 10.2071 10.2071 k = 0.0000 0.0000 0.1430 ( 6189 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1931 -35.1931 -35.1867 -35.1867 -34.9101 -34.9101 -34.9004 -34.9004 -34.8995 -34.8995 -34.8983 -34.8983 -20.2460 -20.2460 -6.9417 -6.9417 -5.0302 -5.0302 -4.8657 -4.8657 -1.5696 -1.5696 1.7197 1.7197 3.0798 3.0798 5.7644 5.7644 6.0710 6.0710 6.5023 6.5023 6.6364 6.6364 8.0148 8.0148 8.9974 8.9974 9.3892 9.3892 10.2310 10.2310 k = 0.0000 0.0000 0.1634 ( 6185 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1930 -35.1930 -35.1867 -35.1867 -34.9100 -34.9100 -34.9003 -34.9003 -34.8996 -34.8996 -34.8983 -34.8983 -20.2457 -20.2457 -6.9433 -6.9433 -5.0317 -5.0317 -4.8717 -4.8717 -1.5461 -1.5461 1.7081 1.7081 3.0910 3.0910 5.7067 5.7067 6.0957 6.0957 6.4142 6.4142 6.5813 6.5813 8.1123 8.1123 9.0011 9.0011 9.4862 9.4862 10.2504 10.2504 k = 0.0000 0.0000 0.1838 ( 6181 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1868 -35.1868 -34.9099 -34.9099 -34.9003 -34.9003 -34.8997 -34.8997 -34.8983 -34.8983 -20.2453 -20.2453 -6.9451 -6.9451 -5.0334 -5.0334 -4.8782 -4.8782 -1.5202 -1.5202 1.6955 1.6955 3.1031 3.1031 5.6449 5.6449 6.1218 6.1218 6.3226 6.3226 6.5285 6.5285 8.2150 8.2150 9.0069 9.0069 9.5925 9.5925 10.2664 10.2664 k = 0.0000 0.0000 0.2042 ( 6181 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9098 -34.9098 -34.9003 -34.9003 -34.8999 -34.8999 -34.8983 -34.8983 -20.2450 -20.2450 -6.9471 -6.9471 -5.0352 -5.0352 -4.8853 -4.8853 -1.4919 -1.4919 1.6821 1.6821 3.1158 3.1158 5.5800 5.5800 6.1475 6.1475 6.2309 6.2309 6.4780 6.4780 8.3221 8.3221 9.0153 9.0153 9.7070 9.7070 10.2794 10.2794 k = 0.0000 0.0000 0.2247 ( 6195 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1928 -35.1928 -35.1869 -35.1869 -34.9098 -34.9098 -34.9003 -34.9003 -34.9000 -34.9000 -34.8983 -34.8983 -20.2445 -20.2445 -6.9492 -6.9492 -5.0372 -5.0372 -4.8927 -4.8927 -1.4616 -1.4616 1.6680 1.6680 3.1289 3.1289 5.5126 5.5126 6.1290 6.1290 6.1839 6.1839 6.4302 6.4302 8.4335 8.4335 9.0269 9.0269 9.8290 9.8290 10.2892 10.2892 k = 0.0000 0.0000 0.2451 ( 6195 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1928 -35.1928 -35.1870 -35.1870 -34.9096 -34.9096 -34.9003 -34.9003 -34.9002 -34.9002 -34.8982 -34.8982 -20.2441 -20.2441 -6.9514 -6.9514 -5.0393 -5.0393 -4.9004 -4.9004 -1.4295 -1.4295 1.6533 1.6533 3.1420 3.1420 5.4436 5.4436 6.0411 6.0411 6.2071 6.2071 6.3857 6.3857 8.5486 8.5486 9.0423 9.0423 9.9579 9.9579 10.2954 10.2954 k = 0.0000 0.0000 0.2655 ( 6195 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1927 -35.1927 -35.1871 -35.1871 -34.9095 -34.9095 -34.9004 -34.9004 -34.9002 -34.9002 -34.8982 -34.8982 -20.2436 -20.2436 -6.9538 -6.9538 -5.0415 -5.0415 -4.9084 -4.9084 -1.3958 -1.3958 1.6384 1.6384 3.1550 3.1550 5.3735 5.3735 5.9534 5.9534 6.2296 6.2296 6.3466 6.3466 8.6675 8.6675 9.0620 9.0620 10.0931 10.0931 10.2970 10.2970 k = 0.0000 0.0000 0.2859 ( 6191 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1926 -35.1926 -35.1872 -35.1872 -34.9094 -34.9094 -34.9006 -34.9006 -34.9002 -34.9002 -34.8982 -34.8982 -20.2430 -20.2430 -6.9563 -6.9563 -5.0438 -5.0438 -4.9165 -4.9165 -1.3609 -1.3609 1.6232 1.6232 3.1674 3.1674 5.3027 5.3027 5.8696 5.8696 6.2405 6.2405 6.3207 6.3207 8.7896 8.7896 9.0866 9.0866 10.2339 10.2339 10.2930 10.2930 k = 0.0000 0.0000 0.3063 ( 6191 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1925 -35.1925 -35.1873 -35.1873 -34.9093 -34.9093 -34.9008 -34.9008 -34.9001 -34.9001 -34.8982 -34.8982 -20.2425 -20.2425 -6.9589 -6.9589 -5.0462 -5.0462 -4.9247 -4.9247 -1.3250 -1.3250 1.6080 1.6080 3.1791 3.1791 5.2317 5.2317 5.7909 5.7909 6.2265 6.2265 6.3205 6.3205 8.9150 8.9150 9.1168 9.1168 10.2824 10.2824 10.3800 10.3800 k = 0.0000 0.0000 0.3268 ( 6187 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1924 -35.1924 -35.1874 -35.1874 -34.9091 -34.9091 -34.9010 -34.9010 -34.9001 -34.9001 -34.8981 -34.8981 -20.2419 -20.2419 -6.9616 -6.9616 -5.0487 -5.0487 -4.9329 -4.9329 -1.2884 -1.2884 1.5929 1.5929 3.1897 3.1897 5.1608 5.1608 5.7182 5.7182 6.1969 6.1969 6.3361 6.3361 9.0428 9.0428 9.1535 9.1535 10.2647 10.2647 10.5309 10.5309 k = 0.0000 0.0000 0.3472 ( 6187 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1923 -35.1923 -35.1875 -35.1875 -34.9090 -34.9090 -34.9012 -34.9012 -34.9000 -34.9000 -34.8981 -34.8981 -20.2413 -20.2413 -6.9643 -6.9643 -5.0512 -5.0512 -4.9411 -4.9411 -1.2514 -1.2514 1.5781 1.5781 3.1991 3.1991 5.0905 5.0905 5.6520 5.6520 6.1641 6.1641 6.3545 6.3545 9.1676 9.1676 9.2024 9.2024 10.2400 10.2400 10.6862 10.6862 k = 0.0000 0.0000 0.3676 ( 6187 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1922 -35.1922 -35.1876 -35.1876 -34.9088 -34.9088 -34.9015 -34.9015 -34.9000 -34.9000 -34.8981 -34.8981 -20.2407 -20.2407 -6.9671 -6.9671 -5.0537 -5.0537 -4.9492 -4.9492 -1.2143 -1.2143 1.5637 1.5637 3.2071 3.2071 5.0209 5.0209 5.5929 5.5929 6.1316 6.1316 6.3718 6.3718 9.2383 9.2383 9.3148 9.3148 10.2091 10.2091 10.8028 10.8028 k = 0.0000 0.0000 0.3880 ( 6183 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1921 -35.1921 -35.1877 -35.1877 -34.9087 -34.9087 -34.9017 -34.9017 -34.8999 -34.8999 -34.8980 -34.8980 -20.2401 -20.2401 -6.9699 -6.9699 -5.0561 -5.0561 -4.9572 -4.9572 -1.1775 -1.1775 1.5497 1.5497 3.2136 3.2136 4.9524 4.9524 5.5411 5.5411 6.1005 6.1005 6.3867 6.3867 9.2950 9.2950 9.4505 9.4505 10.1730 10.1730 10.7392 10.7392 k = 0.0000 0.0000 0.4085 ( 6175 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1920 -35.1920 -35.1878 -35.1878 -34.9086 -34.9086 -34.9019 -34.9019 -34.8998 -34.8998 -34.8980 -34.8980 -20.2395 -20.2395 -6.9727 -6.9727 -5.0586 -5.0586 -4.9650 -4.9650 -1.1412 -1.1412 1.5363 1.5363 3.2189 3.2189 4.8850 4.8850 5.4966 5.4966 6.0710 6.0710 6.3986 6.3986 9.3570 9.3570 9.5900 9.5900 10.1330 10.1330 10.6045 10.6045 k = 0.0000 0.0000 0.4289 ( 6173 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1919 -35.1919 -35.1879 -35.1879 -34.9084 -34.9084 -34.9022 -34.9022 -34.8997 -34.8997 -34.8980 -34.8980 -20.2388 -20.2388 -6.9755 -6.9755 -5.0610 -5.0610 -4.9725 -4.9725 -1.1057 -1.1057 1.5237 1.5237 3.2229 3.2229 4.8191 4.8191 5.4594 5.4594 6.0433 6.0433 6.4072 6.4072 9.4250 9.4250 9.7322 9.7322 10.0904 10.0904 10.4732 10.4732 k = 0.0000 0.0000 0.4493 ( 6173 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1918 -35.1918 -35.1880 -35.1880 -34.9083 -34.9083 -34.9024 -34.9024 -34.8997 -34.8997 -34.8979 -34.8979 -20.2381 -20.2381 -6.9783 -6.9783 -5.0633 -5.0633 -4.9799 -4.9799 -1.0714 -1.0714 1.5117 1.5117 3.2261 3.2261 4.7548 4.7548 5.4291 5.4291 6.0174 6.0174 6.4124 6.4124 9.4982 9.4982 9.8762 9.8762 10.0465 10.0465 10.3464 10.3464 k = 0.0000 0.0000 0.4697 ( 6169 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1917 -35.1917 -35.1881 -35.1881 -34.9082 -34.9082 -34.9027 -34.9027 -34.8996 -34.8996 -34.8979 -34.8979 -20.2375 -20.2375 -6.9810 -6.9810 -5.0655 -5.0655 -4.9869 -4.9869 -1.0385 -1.0385 1.5006 1.5006 3.2289 3.2289 4.6921 4.6921 5.4050 5.4050 5.9934 5.9934 6.4142 6.4142 9.5747 9.5747 9.9940 9.9940 10.0302 10.0302 10.2257 10.2257 k = 0.0000 0.0000 0.4902 ( 6177 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1916 -35.1916 -35.1882 -35.1882 -34.9080 -34.9080 -34.9030 -34.9030 -34.8995 -34.8995 -34.8979 -34.8979 -20.2368 -20.2368 -6.9837 -6.9837 -5.0676 -5.0676 -4.9937 -4.9937 -1.0074 -1.0074 1.4903 1.4903 3.2317 3.2317 4.6313 4.6313 5.3864 5.3864 5.9711 5.9711 6.4126 6.4126 9.6492 9.6492 9.9539 9.9539 10.1124 10.1124 10.1381 10.1381 k = 0.0000 0.0000 0.5106 ( 6175 PWs) bands (ev): -68.2496 -68.2496 -68.2490 -68.2490 -35.1915 -35.1915 -35.1884 -35.1884 -34.9079 -34.9079 -34.9032 -34.9032 -34.8994 -34.8994 -34.8979 -34.8979 -20.2362 -20.2362 -6.9864 -6.9864 -5.0696 -5.0696 -5.0002 -5.0002 -0.9781 -0.9781 1.4809 1.4809 3.2351 3.2351 4.5724 4.5724 5.3725 5.3725 5.9506 5.9506 6.4079 6.4079 9.7059 9.7059 9.9082 9.9082 9.9974 9.9974 10.0472 10.0472 k = 0.0000 0.0000 0.5310 ( 6175 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1914 -35.1914 -35.1885 -35.1885 -34.9078 -34.9078 -34.9035 -34.9035 -34.8993 -34.8993 -34.8978 -34.8978 -20.2355 -20.2355 -6.9889 -6.9889 -5.0714 -5.0714 -5.0064 -5.0064 -0.9510 -0.9510 1.4725 1.4725 3.2398 3.2398 4.5156 4.5156 5.3621 5.3621 5.9317 5.9317 6.4002 6.4002 9.7089 9.7089 9.8475 9.8475 9.8948 9.8948 10.0297 10.0297 k = 0.0000 0.0000 0.5514 ( 6179 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1913 -35.1913 -35.1886 -35.1886 -34.9077 -34.9077 -34.9038 -34.9038 -34.8992 -34.8992 -34.8978 -34.8978 -20.2349 -20.2349 -6.9914 -6.9914 -5.0731 -5.0731 -5.0123 -5.0123 -0.9262 -0.9262 1.4649 1.4649 3.2464 3.2464 4.4608 4.4608 5.3540 5.3540 5.9144 5.9144 6.3899 6.3899 9.6501 9.6501 9.7467 9.7467 9.8368 9.8368 10.0885 10.0885 k = 0.0000 0.0000 0.5718 ( 6179 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1912 -35.1912 -35.1887 -35.1887 -34.9076 -34.9076 -34.9040 -34.9040 -34.8991 -34.8991 -34.8978 -34.8978 -20.2342 -20.2342 -6.9938 -6.9938 -5.0746 -5.0746 -5.0178 -5.0178 -0.9038 -0.9038 1.4582 1.4582 3.2555 3.2555 4.4083 4.4083 5.3471 5.3471 5.8987 5.8987 6.3772 6.3772 9.5647 9.5647 9.6414 9.6414 9.7931 9.7931 10.1847 10.1847 k = 0.0000 0.0000 0.5923 ( 6191 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1911 -35.1911 -35.1889 -35.1889 -34.9075 -34.9075 -34.9043 -34.9043 -34.8990 -34.8990 -34.8978 -34.8978 -20.2336 -20.2336 -6.9961 -6.9961 -5.0759 -5.0759 -5.0231 -5.0231 -0.8840 -0.8840 1.4525 1.4525 3.2676 3.2676 4.3580 4.3580 5.3400 5.3400 5.8844 5.8844 6.3625 6.3625 9.4728 9.4728 9.5431 9.5431 9.7539 9.7539 10.2975 10.2975 k = 0.0000 0.0000 0.6127 ( 6175 PWs) bands (ev): -68.2495 -68.2495 -68.2491 -68.2491 -35.1910 -35.1910 -35.1889 -35.1889 -34.9074 -34.9074 -34.9045 -34.9045 -34.8988 -34.8988 -34.8977 -34.8977 -20.2330 -20.2330 -6.9983 -6.9983 -5.0770 -5.0770 -5.0280 -5.0280 -0.8667 -0.8667 1.4476 1.4476 3.2833 3.2833 4.3100 4.3100 5.3316 5.3316 5.8715 5.8715 6.3459 6.3459 9.3811 9.3811 9.4540 9.4540 9.7181 9.7181 10.4200 10.4200 k = 0.0000 0.0000 0.6331 ( 6179 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1909 -35.1909 -35.1890 -35.1890 -34.9073 -34.9073 -34.9047 -34.9047 -34.8987 -34.8987 -34.8977 -34.8977 -20.2324 -20.2324 -7.0004 -7.0004 -5.0780 -5.0780 -5.0326 -5.0326 -0.8520 -0.8520 1.4435 1.4435 3.3029 3.3029 4.2644 4.2644 5.3207 5.3207 5.8598 5.8598 6.3279 6.3279 9.2920 9.2920 9.3749 9.3749 9.6857 9.6857 10.5494 10.5494 k = 0.0000 0.0000 0.6535 ( 6173 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9073 -34.9073 -34.9049 -34.9049 -34.8986 -34.8986 -34.8976 -34.8976 -20.2318 -20.2318 -7.0023 -7.0023 -5.0788 -5.0788 -5.0369 -5.0369 -0.8398 -0.8398 1.4402 1.4402 3.3268 3.3268 4.2211 4.2211 5.3061 5.3061 5.8493 5.8493 6.3088 6.3088 9.2066 9.2066 9.3065 9.3065 9.6569 9.6569 10.6843 10.6843 k = 0.0000 0.0000 0.6740 ( 6181 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1892 -35.1892 -34.9072 -34.9072 -34.9051 -34.9051 -34.8985 -34.8985 -34.8976 -34.8976 -20.2312 -20.2312 -7.0042 -7.0042 -5.0795 -5.0795 -5.0409 -5.0409 -0.8300 -0.8300 1.4376 1.4376 3.3552 3.3552 4.1804 4.1804 5.2871 5.2871 5.8398 5.8398 6.2889 6.2889 9.1255 9.1255 9.2488 9.2488 9.6321 9.6321 10.8239 10.8239 k = 0.0000 0.0000 0.6944 ( 6177 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1893 -35.1893 -34.9072 -34.9072 -34.9053 -34.9053 -34.8984 -34.8984 -34.8976 -34.8976 -20.2307 -20.2307 -7.0059 -7.0059 -5.0800 -5.0800 -5.0445 -5.0445 -0.8225 -0.8225 1.4357 1.4357 3.3881 3.3881 4.1421 4.1421 5.2628 5.2628 5.8313 5.8313 6.2685 6.2685 9.0489 9.0489 9.2018 9.2018 9.6118 9.6118 10.9675 10.9675 k = 0.0000 0.0000 0.7148 ( 6191 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1894 -35.1894 -34.9071 -34.9071 -34.9056 -34.9056 -34.8983 -34.8983 -34.8976 -34.8976 -20.2302 -20.2302 -7.0075 -7.0075 -5.0805 -5.0805 -5.0478 -5.0478 -0.8170 -0.8170 1.4344 1.4344 3.4257 3.4257 4.1063 4.1063 5.2328 5.2328 5.8237 5.8237 6.2478 6.2478 8.9773 8.9773 9.1647 9.1647 9.5966 9.5966 11.1144 11.1144 k = 0.0000 0.0000 0.7352 ( 6183 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1905 -35.1905 -35.1895 -35.1895 -34.9070 -34.9070 -34.9057 -34.9057 -34.8982 -34.8982 -34.8975 -34.8975 -20.2297 -20.2297 -7.0090 -7.0090 -5.0808 -5.0808 -5.0508 -5.0508 -0.8133 -0.8133 1.4336 1.4336 3.4678 3.4678 4.0731 4.0731 5.1968 5.1968 5.8168 5.8168 6.2273 6.2273 8.9106 8.9106 9.1367 9.1367 9.5872 9.5872 11.2642 11.2642 k = 0.0000 0.0000 0.7557 ( 6185 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1896 -35.1896 -34.9070 -34.9070 -34.9059 -34.9059 -34.8981 -34.8981 -34.8975 -34.8975 -20.2293 -20.2293 -7.0104 -7.0104 -5.0811 -5.0811 -5.0534 -5.0534 -0.8113 -0.8113 1.4333 1.4333 3.5144 3.5144 4.0424 4.0424 5.1549 5.1549 5.8108 5.8108 6.2071 6.2071 8.8492 8.8492 9.1164 9.1164 9.5841 9.5841 11.4163 11.4163 k = 0.0000 0.0000 0.7761 ( 6185 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1897 -35.1897 -34.9070 -34.9070 -34.9061 -34.9061 -34.8980 -34.8980 -34.8975 -34.8975 -20.2289 -20.2289 -7.0116 -7.0116 -5.0814 -5.0814 -5.0557 -5.0557 -0.8105 -0.8105 1.4333 1.4333 3.5650 3.5650 4.0143 4.0143 5.1071 5.1071 5.8054 5.8054 6.1877 6.1877 8.7930 8.7930 9.1023 9.1023 9.5880 9.5880 11.5701 11.5701 k = 0.0000 0.0000 0.7965 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9069 -34.9069 -34.9062 -34.9062 -34.8979 -34.8979 -34.8975 -34.8975 -20.2285 -20.2285 -7.0127 -7.0127 -5.0816 -5.0816 -5.0577 -5.0577 -0.8109 -0.8109 1.4336 1.4336 3.6194 3.6194 3.9889 3.9889 5.0540 5.0540 5.8008 5.8008 6.1691 6.1691 8.7421 8.7421 9.0930 9.0930 9.5990 9.5990 11.7251 11.7251 k = 0.0000 0.0000 0.8169 ( 6204 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9069 -34.9069 -34.9064 -34.9064 -34.8979 -34.8979 -34.8975 -34.8975 -20.2282 -20.2282 -7.0137 -7.0137 -5.0819 -5.0819 -5.0594 -5.0594 -0.8120 -0.8120 1.4342 1.4342 3.6772 3.6772 3.9661 3.9661 4.9963 4.9963 5.7968 5.7968 6.1518 6.1518 8.6965 8.6965 9.0868 9.0868 9.6171 9.6171 11.8792 11.8792 k = 0.0000 0.0000 0.8373 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9065 -34.9065 -34.8978 -34.8978 -34.8974 -34.8974 -20.2279 -20.2279 -7.0146 -7.0146 -5.0821 -5.0821 -5.0607 -5.0607 -0.8137 -0.8137 1.4348 1.4348 3.7376 3.7376 3.9459 3.9459 4.9348 4.9348 5.7934 5.7934 6.1358 6.1358 8.6563 8.6563 9.0827 9.0827 9.6414 9.6414 11.9361 11.9361 k = 0.0000 0.0000 0.8578 ( 6198 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9066 -34.9066 -34.8977 -34.8977 -34.8974 -34.8974 -20.2276 -20.2276 -7.0153 -7.0153 -5.0824 -5.0824 -5.0617 -5.0617 -0.8157 -0.8157 1.4356 1.4356 3.7999 3.7999 3.9284 3.9284 4.8707 4.8707 5.7906 5.7906 6.1215 6.1215 8.6215 8.6215 9.0798 9.0798 9.6706 9.6706 11.9667 11.9667 k = 0.0000 0.0000 0.8782 ( 6206 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8977 -34.8977 -34.8974 -34.8974 -20.2274 -20.2274 -7.0160 -7.0160 -5.0827 -5.0827 -5.0625 -5.0625 -0.8178 -0.8178 1.4363 1.4363 3.8628 3.8628 3.9136 3.9136 4.8055 4.8055 5.7883 5.7883 6.1091 6.1091 8.5920 8.5920 9.0775 9.0775 9.7025 9.7025 11.9904 11.9904 k = 0.0000 0.0000 0.8986 ( 6204 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8976 -34.8976 -34.8974 -34.8974 -20.2272 -20.2272 -7.0165 -7.0165 -5.0830 -5.0830 -5.0631 -5.0631 -0.8198 -0.8198 1.4370 1.4370 3.9014 3.9014 3.9248 3.9248 4.7413 4.7413 5.7865 5.7865 6.0986 6.0986 8.5679 8.5679 9.0756 9.0756 9.7347 9.7347 12.0061 12.0061 k = 0.0000 0.0000 0.9190 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8976 -34.8976 -34.8974 -34.8974 -20.2270 -20.2270 -7.0169 -7.0169 -5.0833 -5.0833 -5.0635 -5.0635 -0.8215 -0.8215 1.4376 1.4376 3.8920 3.8920 3.9829 3.9829 4.6810 4.6810 5.7851 5.7851 6.0903 6.0903 8.5491 8.5491 9.0740 9.0740 9.7640 9.7640 12.0133 12.0133 k = 0.0000 0.0000 0.9395 ( 6198 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0172 -7.0172 -5.0835 -5.0835 -5.0638 -5.0638 -0.8229 -0.8229 1.4381 1.4381 3.8852 3.8852 4.0330 4.0330 4.6292 4.6292 5.7842 5.7842 6.0843 6.0843 8.5358 8.5358 9.0729 9.0729 9.7877 9.7877 12.0131 12.0131 k = 0.0000 0.0000 0.9599 ( 6198 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0173 -7.0173 -5.0836 -5.0836 -5.0639 -5.0639 -0.8237 -0.8237 1.4383 1.4383 3.8812 3.8812 4.0685 4.0685 4.5927 4.5927 5.7836 5.7836 6.0807 6.0807 8.5277 8.5277 9.0721 9.0721 9.8031 9.8031 12.0096 12.0096 k = 0.0000 0.0000 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0836 -5.0836 -5.0640 -5.0640 -0.8240 -0.8240 1.4384 1.4384 3.8798 3.8798 4.0816 4.0816 4.5792 4.5792 5.7835 5.7835 6.0795 6.0795 8.5251 8.5251 9.0719 9.0719 9.8085 9.8085 12.0077 12.0077 k = 0.0000 0.0000 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0836 -5.0836 -5.0640 -5.0640 -0.8240 -0.8240 1.4384 1.4384 3.8798 3.8798 4.0816 4.0816 4.5792 4.5792 5.7835 5.7835 6.0795 6.0795 8.5251 8.5251 9.0719 9.0719 9.8085 9.8085 12.0077 12.0077 k =-0.0098 0.0165 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0173 -7.0173 -5.0835 -5.0835 -5.0641 -5.0641 -0.8231 -0.8231 1.4351 1.4351 3.8855 3.8855 4.0824 4.0824 4.5796 4.5796 5.7804 5.7804 6.0805 6.0805 8.5236 8.5236 9.0736 9.0736 9.8081 9.8081 12.0048 12.0048 k =-0.0195 0.0329 0.9803 ( 6208 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0172 -7.0172 -5.0832 -5.0832 -5.0643 -5.0643 -0.8205 -0.8205 1.4251 1.4251 3.9026 3.9026 4.0847 4.0847 4.5806 4.5806 5.7715 5.7715 6.0836 6.0836 8.5191 8.5191 9.0787 9.0787 9.8069 9.8069 11.9965 11.9965 k =-0.0293 0.0494 0.9803 ( 6212 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9067 -34.9067 -34.8975 -34.8975 -34.8974 -34.8974 -20.2270 -20.2270 -7.0170 -7.0170 -5.0826 -5.0826 -5.0648 -5.0648 -0.8161 -0.8161 1.4088 1.4088 3.9306 3.9306 4.0887 4.0887 4.5822 4.5822 5.7569 5.7569 6.0888 6.0888 8.5118 8.5118 9.0866 9.0866 9.8050 9.8050 11.9839 11.9839 k =-0.0391 0.0659 0.9803 ( 6212 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9067 -34.9067 -34.8975 -34.8975 -34.8975 -34.8975 -20.2271 -20.2271 -7.0168 -7.0168 -5.0818 -5.0818 -5.0653 -5.0653 -0.8101 -0.8101 1.3867 1.3867 3.9692 3.9692 4.0943 4.0943 4.5842 4.5842 5.7373 5.7373 6.0960 6.0960 8.5018 8.5018 9.0967 9.0967 9.8024 9.8024 11.9689 11.9689 k =-0.0488 0.0824 0.9803 ( 6204 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9066 -34.9066 -34.8976 -34.8976 -34.8975 -34.8975 -20.2273 -20.2273 -7.0164 -7.0164 -5.0808 -5.0808 -5.0661 -5.0661 -0.8025 -0.8025 1.3593 1.3593 4.0175 4.0175 4.1016 4.1016 4.5866 4.5866 5.7135 5.7135 6.1053 6.1053 8.4894 8.4894 9.1079 9.1079 9.7991 9.7991 11.9537 11.9537 k =-0.0586 0.0988 0.9803 ( 6206 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1900 -35.1900 -34.9069 -34.9069 -34.9066 -34.9066 -34.8976 -34.8976 -34.8975 -34.8975 -20.2275 -20.2275 -7.0160 -7.0160 -5.0795 -5.0795 -5.0669 -5.0669 -0.7934 -0.7934 1.3273 1.3273 4.0743 4.0743 4.1113 4.1113 4.5891 4.5891 5.6864 5.6864 6.1167 6.1167 8.4748 8.4748 9.1191 9.1191 9.7953 9.7953 11.9407 11.9407 k =-0.0684 0.1153 0.9803 ( 6202 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9065 -34.9065 -34.8976 -34.8976 -34.8976 -34.8976 -20.2277 -20.2277 -7.0155 -7.0155 -5.0781 -5.0781 -5.0678 -5.0678 -0.7830 -0.7830 1.2913 1.2913 4.1168 4.1168 4.1452 4.1452 4.5914 4.5914 5.6569 5.6569 6.1301 6.1301 8.4584 8.4584 9.1293 9.1293 9.7911 9.7911 11.9321 11.9321 k =-0.0781 0.1318 0.9803 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9070 -34.9070 -34.9063 -34.9063 -34.8977 -34.8977 -34.8976 -34.8976 -20.2280 -20.2280 -7.0149 -7.0149 -5.0765 -5.0765 -5.0688 -5.0688 -0.7714 -0.7714 1.2522 1.2522 4.1304 4.1304 4.2175 4.2175 4.5932 4.5932 5.6264 5.6264 6.1456 6.1456 8.4406 8.4406 9.1371 9.1371 9.7865 9.7865 11.9296 11.9296 k =-0.0879 0.1482 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9070 -34.9070 -34.9062 -34.9062 -34.8978 -34.8978 -34.8976 -34.8976 -20.2283 -20.2283 -7.0142 -7.0142 -5.0749 -5.0749 -5.0696 -5.0696 -0.7588 -0.7588 1.2104 1.2104 4.1440 4.1440 4.2982 4.2982 4.5941 4.5941 5.5959 5.5959 6.1630 6.1630 8.4216 8.4216 9.1417 9.1417 9.7817 9.7817 11.9345 11.9346 k =-0.0879 0.1482 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9070 -34.9070 -34.9062 -34.9062 -34.8978 -34.8978 -34.8976 -34.8976 -20.2283 -20.2283 -7.0142 -7.0142 -5.0749 -5.0749 -5.0696 -5.0696 -0.7588 -0.7588 1.2104 1.2104 4.1440 4.1440 4.2982 4.2982 4.5941 4.5941 5.5959 5.5959 6.1630 6.1630 8.4216 8.4216 9.1417 9.1417 9.7817 9.7817 11.9345 11.9346 k =-0.0953 0.1607 0.9659 ( 6198 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9070 -34.9070 -34.9061 -34.9061 -34.8978 -34.8978 -34.8976 -34.8976 -20.2285 -20.2285 -7.0136 -7.0136 -5.0758 -5.0758 -5.0679 -5.0679 -0.7486 -0.7486 1.1777 1.1777 4.1472 4.1472 4.3639 4.3639 4.6023 4.6023 5.5736 5.5736 6.1781 6.1781 8.4082 8.4082 9.1429 9.1429 9.7748 9.7748 11.9442 11.9442 k =-0.1026 0.1731 0.9514 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1897 -35.1897 -34.9070 -34.9070 -34.9060 -34.9060 -34.8979 -34.8979 -34.8976 -34.8976 -20.2288 -20.2288 -7.0130 -7.0130 -5.0788 -5.0788 -5.0639 -5.0639 -0.7376 -0.7376 1.1442 1.1442 4.1358 4.1358 4.4335 4.4335 4.6256 4.6256 5.5523 5.5523 6.1956 6.1956 8.3974 8.3974 9.1424 9.1424 9.7616 9.7616 11.9579 11.9579 k =-0.1100 0.1855 0.9370 ( 6188 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1897 -35.1897 -34.9070 -34.9070 -34.9059 -34.9059 -34.8980 -34.8980 -34.8977 -34.8977 -20.2291 -20.2291 -7.0123 -7.0123 -5.0825 -5.0825 -5.0592 -5.0592 -0.7259 -0.7259 1.1104 1.1104 4.1126 4.1126 4.5067 4.5067 4.6614 4.6614 5.5324 5.5324 6.2156 6.2156 8.3895 8.3895 9.1402 9.1402 9.7424 9.7424 11.9096 11.9096 k =-0.1173 0.1979 0.9226 ( 6195 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1896 -35.1896 -34.9070 -34.9070 -34.9058 -34.9058 -34.8980 -34.8980 -34.8977 -34.8977 -20.2294 -20.2294 -7.0115 -7.0115 -5.0865 -5.0865 -5.0538 -5.0538 -0.7136 -0.7136 1.0763 1.0763 4.0807 4.0807 4.5829 4.5829 4.7060 4.7060 5.5141 5.5141 6.2380 6.2380 8.3847 8.3847 9.1361 9.1361 9.7179 9.7179 11.8093 11.8093 k =-0.1247 0.2103 0.9082 ( 6197 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1905 -35.1905 -35.1896 -35.1896 -34.9070 -34.9070 -34.9057 -34.9057 -34.8981 -34.8981 -34.8977 -34.8977 -20.2298 -20.2298 -7.0107 -7.0107 -5.0908 -5.0908 -5.0480 -5.0480 -0.7008 -0.7008 1.0424 1.0424 4.0432 4.0432 4.6614 4.6614 4.7567 4.7567 5.4976 5.4976 6.2630 6.2630 8.3832 8.3832 9.1302 9.1302 9.6890 9.6890 11.6998 11.6998 k =-0.1321 0.2227 0.8937 ( 6197 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1905 -35.1905 -35.1895 -35.1895 -34.9070 -34.9070 -34.9056 -34.9056 -34.8982 -34.8982 -34.8978 -34.8978 -20.2302 -20.2302 -7.0098 -7.0098 -5.0953 -5.0953 -5.0418 -5.0418 -0.6876 -0.6876 1.0088 1.0088 4.0021 4.0021 4.7414 4.7414 4.8115 4.8115 5.4833 5.4833 6.2908 6.2908 8.3854 8.3854 9.1226 9.1226 9.6568 9.6568 11.5861 11.5861 k =-0.1394 0.2351 0.8793 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1905 -35.1905 -35.1895 -35.1895 -34.9070 -34.9070 -34.9054 -34.9054 -34.8983 -34.8983 -34.8978 -34.8978 -20.2306 -20.2306 -7.0089 -7.0089 -5.1000 -5.1000 -5.0352 -5.0352 -0.6741 -0.6741 0.9757 0.9757 3.9588 3.9588 4.8219 4.8219 4.8693 4.8693 5.4713 5.4713 6.3215 6.3215 8.3914 8.3914 9.1131 9.1131 9.6224 9.6224 11.4704 11.4704 k =-0.1468 0.2475 0.8649 ( 6190 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1895 -35.1895 -34.9070 -34.9070 -34.9053 -34.9053 -34.8984 -34.8984 -34.8979 -34.8979 -20.2310 -20.2310 -7.0080 -7.0080 -5.1048 -5.1048 -5.0282 -5.0282 -0.6603 -0.6603 0.9432 0.9432 3.9142 3.9142 4.8996 4.8996 4.9313 4.9313 5.4617 5.4617 6.3554 6.3554 8.4014 8.4014 9.1017 9.1017 9.5871 9.5871 11.3542 11.3542 k =-0.1541 0.2599 0.8505 ( 6187 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1894 -35.1894 -34.9069 -34.9069 -34.9052 -34.9052 -34.8985 -34.8985 -34.8979 -34.8979 -20.2315 -20.2315 -7.0071 -7.0071 -5.1097 -5.1097 -5.0211 -5.0211 -0.6464 -0.6464 0.9117 0.9117 3.8692 3.8692 4.9686 4.9686 5.0022 5.0022 5.4547 5.4547 6.3928 6.3928 8.4156 8.4156 9.0886 9.0886 9.5519 9.5519 11.2388 11.2388 k =-0.1615 0.2723 0.8360 ( 6192 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1894 -35.1894 -34.9069 -34.9069 -34.9050 -34.9050 -34.8986 -34.8986 -34.8980 -34.8980 -20.2319 -20.2319 -7.0062 -7.0062 -5.1147 -5.1147 -5.0137 -5.0137 -0.6324 -0.6324 0.8810 0.8810 3.8241 3.8241 5.0290 5.0290 5.0801 5.0801 5.4505 5.4505 6.4341 6.4341 8.4343 8.4343 9.0735 9.0735 9.5179 9.5179 11.1251 11.1251 k =-0.1689 0.2848 0.8216 ( 6196 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1893 -35.1893 -34.9069 -34.9069 -34.9049 -34.9049 -34.8987 -34.8987 -34.8981 -34.8981 -20.2323 -20.2323 -7.0053 -7.0053 -5.1197 -5.1197 -5.0061 -5.0061 -0.6186 -0.6186 0.8515 0.8515 3.7795 3.7795 5.0855 5.0855 5.1590 5.1590 5.4490 5.4490 6.4798 6.4798 8.4576 8.4576 9.0566 9.0566 9.4859 9.4859 11.0141 11.0141 k =-0.1762 0.2972 0.8072 ( 6194 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1893 -35.1893 -34.9069 -34.9069 -34.9048 -34.9048 -34.8987 -34.8987 -34.8982 -34.8982 -20.2328 -20.2328 -7.0045 -7.0045 -5.1246 -5.1246 -4.9985 -4.9985 -0.6049 -0.6049 0.8233 0.8233 3.7357 3.7357 5.1394 5.1394 5.2360 5.2360 5.4504 5.4504 6.5303 6.5303 8.4855 8.4855 9.0378 9.0378 9.4567 9.4567 10.9068 10.9068 k =-0.1836 0.3096 0.7927 ( 6193 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1893 -35.1893 -34.9068 -34.9068 -34.9047 -34.9047 -34.8988 -34.8988 -34.8982 -34.8982 -20.2332 -20.2332 -7.0037 -7.0037 -5.1295 -5.1295 -4.9909 -4.9909 -0.5915 -0.5915 0.7963 0.7963 3.6931 3.6931 5.1905 5.1905 5.3099 5.3099 5.4548 5.4548 6.5861 6.5861 8.5182 8.5182 9.0173 9.0173 9.4308 9.4308 10.8039 10.8039 k =-0.1909 0.3220 0.7783 ( 6189 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1892 -35.1892 -34.9068 -34.9068 -34.9045 -34.9045 -34.8989 -34.8989 -34.8983 -34.8983 -20.2337 -20.2337 -7.0029 -7.0029 -5.1342 -5.1342 -4.9833 -4.9833 -0.5785 -0.5785 0.7708 0.7708 3.6519 3.6519 5.2385 5.2385 5.3792 5.3792 5.4625 5.4625 6.6478 6.6478 8.5557 8.5557 8.9951 8.9951 9.4086 9.4086 10.7062 10.7062 k =-0.1983 0.3344 0.7639 ( 6193 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1892 -35.1892 -34.9067 -34.9067 -34.9044 -34.9044 -34.8990 -34.8990 -34.8984 -34.8984 -20.2341 -20.2341 -7.0021 -7.0021 -5.1388 -5.1388 -4.9759 -4.9759 -0.5660 -0.5660 0.7467 0.7467 3.6123 3.6123 5.2830 5.2830 5.4408 5.4408 5.4760 5.4760 6.7155 6.7155 8.5978 8.5978 8.9716 8.9716 9.3901 9.3901 10.6142 10.6142 k =-0.2056 0.3468 0.7495 ( 6195 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1892 -35.1892 -34.9067 -34.9067 -34.9043 -34.9043 -34.8991 -34.8991 -34.8985 -34.8985 -20.2345 -20.2345 -7.0014 -7.0014 -5.1433 -5.1433 -4.9686 -4.9686 -0.5540 -0.5540 0.7242 0.7242 3.5746 3.5746 5.3235 5.3235 5.4769 5.4769 5.5123 5.5123 6.7896 6.7896 8.6445 8.6445 8.9471 8.9471 9.3754 9.3754 10.5015 10.5015 k =-0.2130 0.3592 0.7350 ( 6194 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1892 -35.1892 -34.9067 -34.9067 -34.9041 -34.9041 -34.8992 -34.8992 -34.8986 -34.8986 -20.2349 -20.2349 -7.0007 -7.0007 -5.1474 -5.1474 -4.9616 -4.9616 -0.5427 -0.5427 0.7033 0.7033 3.5391 3.5391 5.3596 5.3596 5.4952 5.4952 5.5632 5.5632 6.8700 6.8700 8.6954 8.6954 8.9221 8.9221 9.3642 9.3642 10.3466 10.3466 k =-0.2204 0.3716 0.7206 ( 6199 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1891 -35.1891 -34.9066 -34.9066 -34.9040 -34.9040 -34.8993 -34.8993 -34.8987 -34.8987 -20.2352 -20.2352 -7.0001 -7.0001 -5.1514 -5.1514 -4.9549 -4.9549 -0.5320 -0.5320 0.6840 0.6840 3.5059 3.5059 5.3913 5.3913 5.5134 5.5134 5.6104 5.6104 6.9562 6.9562 8.7498 8.7498 8.8975 8.8975 9.3560 9.3560 10.1932 10.1932 k =-0.2277 0.3840 0.7062 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9066 -34.9066 -34.9039 -34.9039 -34.8993 -34.8993 -34.8988 -34.8988 -20.2356 -20.2356 -6.9996 -6.9996 -5.1550 -5.1550 -4.9487 -4.9487 -0.5222 -0.5222 0.6665 0.6665 3.4752 3.4752 5.4188 5.4188 5.5327 5.5327 5.6521 5.6521 7.0478 7.0478 8.8054 8.8054 8.8754 8.8754 9.3505 9.3505 10.0432 10.0432 k =-0.2351 0.3964 0.6917 ( 6199 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9065 -34.9065 -34.9038 -34.9038 -34.8994 -34.8994 -34.8988 -34.8988 -20.2359 -20.2359 -6.9991 -6.9991 -5.1584 -5.1584 -4.9428 -4.9428 -0.5133 -0.5133 0.6507 0.6507 3.4473 3.4473 5.4426 5.4426 5.5522 5.5522 5.6881 5.6881 7.1435 7.1435 8.8354 8.8354 8.8819 8.8819 9.3471 9.3471 9.8984 9.8984 k =-0.2424 0.4089 0.6773 ( 6205 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9065 -34.9065 -34.9037 -34.9037 -34.8995 -34.8995 -34.8989 -34.8989 -20.2362 -20.2362 -6.9987 -6.9987 -5.1614 -5.1614 -4.9376 -4.9376 -0.5052 -0.5052 0.6367 0.6367 3.4222 3.4222 5.4634 5.4634 5.5710 5.5710 5.7187 5.7187 7.2422 7.2422 8.8189 8.8189 8.9364 8.9364 9.3452 9.3452 9.7616 9.7616 k =-0.2498 0.4213 0.6629 ( 6203 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9065 -34.9065 -34.9036 -34.9036 -34.8995 -34.8995 -34.8990 -34.8990 -20.2364 -20.2364 -6.9983 -6.9983 -5.1641 -5.1641 -4.9328 -4.9328 -0.4981 -0.4981 0.6245 0.6245 3.4002 3.4002 5.4815 5.4815 5.5883 5.5883 5.7442 5.7442 7.3420 7.3420 8.7989 8.7989 8.9929 8.9929 9.3443 9.3443 9.6377 9.6377 k =-0.2572 0.4337 0.6485 ( 6203 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1891 -35.1891 -34.9064 -34.9064 -34.9035 -34.9035 -34.8996 -34.8996 -34.8990 -34.8990 -20.2366 -20.2366 -6.9980 -6.9980 -5.1663 -5.1663 -4.9288 -4.9288 -0.4921 -0.4921 0.6142 0.6142 3.3814 3.3814 5.4971 5.4971 5.6034 5.6034 5.7650 5.7650 7.4405 7.4405 8.7803 8.7803 9.0389 9.0389 9.3440 9.3440 9.5360 9.5360 k =-0.2645 0.4461 0.6340 ( 6195 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9064 -34.9064 -34.9034 -34.9034 -34.8996 -34.8996 -34.8991 -34.8991 -20.2368 -20.2368 -6.9977 -6.9977 -5.1682 -5.1682 -4.9254 -4.9254 -0.4870 -0.4870 0.6057 0.6057 3.3658 3.3658 5.5104 5.5104 5.6160 5.6160 5.7814 5.7814 7.5342 7.5342 8.7642 8.7642 9.0596 9.0596 9.3440 9.3440 9.4724 9.4724 k =-0.2719 0.4585 0.6196 ( 6197 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9064 -34.9064 -34.9034 -34.9034 -34.8996 -34.8996 -34.8991 -34.8991 -20.2370 -20.2370 -6.9975 -6.9975 -5.1697 -5.1697 -4.9227 -4.9227 -0.4831 -0.4831 0.5990 0.5990 3.3536 3.3536 5.5210 5.5210 5.6258 5.6258 5.7937 5.7937 7.6186 7.6186 8.7511 8.7511 9.0441 9.0441 9.3445 9.3445 9.4593 9.4593 k =-0.2792 0.4709 0.6052 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9064 -34.9064 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9974 -6.9974 -5.1708 -5.1708 -4.9207 -4.9207 -0.4803 -0.4803 0.5943 0.5943 3.3448 3.3448 5.5288 5.5288 5.6329 5.6329 5.8023 5.8023 7.6875 7.6875 8.7415 8.7415 9.0060 9.0060 9.3450 9.3450 9.4844 9.4844 k =-0.2866 0.4833 0.5908 ( 6203 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9064 -34.9064 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9973 -6.9973 -5.1714 -5.1714 -4.9196 -4.9196 -0.4786 -0.4786 0.5914 0.5914 3.3395 3.3395 5.5335 5.5335 5.6371 5.6371 5.8074 5.8074 7.7334 7.7334 8.7355 8.7355 8.9714 8.9714 9.3454 9.3454 9.5190 9.5190 k =-0.2940 0.4957 0.5763 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9063 -34.9063 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9972 -6.9972 -5.1716 -5.1716 -4.9192 -4.9192 -0.4780 -0.4780 0.5905 0.5905 3.3377 3.3377 5.5351 5.5351 5.6385 5.6385 5.8091 5.8091 7.7496 7.7496 8.7335 8.7335 8.9579 8.9579 9.3455 9.3455 9.5352 9.5352 k =-0.2940 0.4957 0.5763 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9063 -34.9063 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9972 -6.9972 -5.1716 -5.1716 -4.9192 -4.9192 -0.4780 -0.4780 0.5905 0.5905 3.3377 3.3377 5.5351 5.5351 5.6385 5.6385 5.8091 5.8091 7.7496 7.7496 8.7335 8.7335 8.9579 8.9579 9.3455 9.3455 9.5352 9.5352 k =-0.2866 0.4833 0.5619 ( 6197 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1892 -35.1892 -34.9061 -34.9061 -34.9036 -34.9036 -34.8996 -34.8996 -34.8992 -34.8992 -20.2369 -20.2369 -6.9983 -6.9983 -5.1746 -5.1746 -4.9184 -4.9184 -0.4793 -0.4793 0.6268 0.6268 3.3031 3.3031 5.4843 5.4843 5.6409 5.6409 5.7563 5.7563 7.6893 7.6893 8.8010 8.8010 8.9113 8.9113 9.3968 9.3968 9.5660 9.5660 k =-0.2793 0.4709 0.5475 ( 6197 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1893 -35.1893 -34.9059 -34.9059 -34.9038 -34.9038 -34.8996 -34.8996 -34.8993 -34.8993 -20.2368 -20.2368 -6.9991 -6.9991 -5.1769 -5.1769 -4.9175 -4.9175 -0.4844 -0.4844 0.6640 0.6640 3.2747 3.2747 5.4340 5.4340 5.6450 5.6450 5.7065 5.7065 7.6253 7.6253 8.8587 8.8587 8.8771 8.8771 9.4510 9.4510 9.6051 9.6051 k =-0.2719 0.4585 0.5331 ( 6203 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1895 -35.1895 -34.9056 -34.9056 -34.9041 -34.9041 -34.8996 -34.8996 -34.8993 -34.8993 -20.2366 -20.2366 -6.9996 -6.9996 -5.1786 -5.1786 -4.9167 -4.9167 -0.4937 -0.4937 0.7021 0.7021 3.2523 3.2523 5.3848 5.3848 5.6470 5.6470 5.6637 5.6637 7.5586 7.5586 8.8261 8.8261 8.9367 8.9367 9.5065 9.5065 9.6517 9.6517 k =-0.2646 0.4462 0.5187 ( 6203 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1896 -35.1896 -34.9054 -34.9054 -34.9044 -34.9044 -34.8995 -34.8995 -34.8994 -34.8994 -20.2365 -20.2365 -6.9999 -6.9999 -5.1796 -5.1796 -4.9160 -4.9160 -0.5069 -0.5069 0.7411 0.7411 3.2356 3.2356 5.3373 5.3373 5.6118 5.6118 5.6631 5.6631 7.4901 7.4901 8.7900 8.7900 9.0033 9.0033 9.5616 9.5616 9.7050 9.7050 k =-0.2572 0.4338 0.5043 ( 6195 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1900 -35.1900 -35.1898 -35.1898 -34.9051 -34.9051 -34.9046 -34.9046 -34.8995 -34.8995 -34.8994 -34.8994 -20.2365 -20.2365 -7.0000 -7.0000 -5.1799 -5.1799 -4.9153 -4.9153 -0.5240 -0.5240 0.7808 0.7808 3.2243 3.2243 5.2920 5.2920 5.5706 5.5706 5.6736 5.6736 7.4205 7.4205 8.7575 8.7575 9.0707 9.0707 9.6143 9.6143 9.7642 9.7642 k =-0.2499 0.4214 0.4899 ( 6195 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9048 -34.9048 -34.9048 -34.9048 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9998 -6.9998 -5.1795 -5.1795 -4.9146 -4.9146 -0.5450 -0.5450 0.8213 0.8213 3.2179 3.2179 5.2495 5.2495 5.5319 5.5319 5.6870 5.6870 7.3503 7.3503 8.7287 8.7287 9.1387 9.1387 9.6622 9.6622 9.8288 9.8288 k =-0.2425 0.4090 0.4755 ( 6209 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1897 -35.1897 -34.9052 -34.9052 -34.9046 -34.9046 -34.8995 -34.8995 -34.8994 -34.8994 -20.2365 -20.2365 -6.9993 -6.9993 -5.1784 -5.1784 -4.9141 -4.9141 -0.5696 -0.5696 0.8623 0.8623 3.2158 3.2158 5.2104 5.2104 5.4962 5.4962 5.7028 5.7028 7.2799 7.2799 8.7036 8.7036 9.2076 9.2076 9.7032 9.7032 9.8982 9.8982 k =-0.2352 0.3966 0.4611 ( 6213 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1896 -35.1896 -34.9054 -34.9054 -34.9043 -34.9043 -34.8995 -34.8995 -34.8993 -34.8993 -20.2366 -20.2366 -6.9986 -6.9986 -5.1766 -5.1766 -4.9136 -4.9136 -0.5976 -0.5976 0.9038 0.9038 3.2174 3.2174 5.1753 5.1753 5.4635 5.4635 5.7211 5.7211 7.2100 7.2100 8.6822 8.6822 9.2773 9.2773 9.7347 9.7347 9.9719 9.9719 k =-0.2278 0.3842 0.4467 ( 6203 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1894 -35.1894 -34.9056 -34.9056 -34.9041 -34.9041 -34.8996 -34.8996 -34.8993 -34.8993 -20.2367 -20.2367 -6.9976 -6.9976 -5.1740 -5.1740 -4.9133 -4.9133 -0.6288 -0.6288 0.9456 0.9456 3.2219 3.2219 5.1450 5.1450 5.4341 5.4341 5.7418 5.7418 7.1407 7.1407 8.6645 8.6645 9.3477 9.3477 9.7548 9.7548 10.0496 10.0496 k =-0.2205 0.3718 0.4322 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1893 -35.1893 -34.9059 -34.9059 -34.9038 -34.9038 -34.8996 -34.8996 -34.8992 -34.8992 -20.2369 -20.2369 -6.9964 -6.9964 -5.1708 -5.1708 -4.9130 -4.9130 -0.6628 -0.6628 0.9878 0.9878 3.2287 3.2287 5.1200 5.1200 5.4080 5.4080 5.7650 5.7650 7.0724 7.0724 8.6504 8.6504 9.4180 9.4180 9.7617 9.7617 10.1308 10.1308 k =-0.2131 0.3594 0.4178 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1891 -35.1891 -34.9062 -34.9062 -34.9036 -34.9036 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9949 -6.9949 -5.1668 -5.1668 -4.9128 -4.9128 -0.6994 -0.6994 1.0300 1.0300 3.2367 3.2367 5.1010 5.1010 5.3854 5.3854 5.7906 5.7906 7.0053 7.0053 8.6398 8.6398 9.4868 9.4868 9.7560 9.7560 10.2155 10.2155 k =-0.2058 0.3470 0.4034 ( 6213 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9064 -34.9064 -34.9033 -34.9033 -34.8997 -34.8997 -34.8992 -34.8992 -20.2373 -20.2373 -6.9932 -6.9932 -5.1622 -5.1622 -4.9126 -4.9126 -0.7383 -0.7383 1.0722 1.0722 3.2453 3.2453 5.0887 5.0887 5.3664 5.3664 5.8186 5.8186 6.9397 6.9397 8.6326 8.6326 9.5484 9.5484 9.7425 9.7425 10.3031 10.3031 k =-0.1984 0.3346 0.3890 ( 6209 PWs) bands (ev): -68.2496 -68.2496 -68.2492 -68.2492 -35.1910 -35.1910 -35.1889 -35.1889 -34.9066 -34.9066 -34.9031 -34.9031 -34.8997 -34.8997 -34.8991 -34.8991 -20.2376 -20.2376 -6.9913 -6.9913 -5.1569 -5.1569 -4.9125 -4.9125 -0.7791 -0.7791 1.1143 1.1143 3.2536 3.2536 5.0836 5.0836 5.3511 5.3511 5.8491 5.8491 6.8756 6.8756 8.6287 8.6287 9.5835 9.5835 9.7412 9.7412 10.3936 10.3936 k =-0.1911 0.3222 0.3746 ( 6203 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1911 -35.1911 -35.1887 -35.1887 -34.9069 -34.9069 -34.9028 -34.9028 -34.8998 -34.8998 -34.8991 -34.8991 -20.2379 -20.2379 -6.9892 -6.9892 -5.1510 -5.1510 -4.9124 -4.9124 -0.8214 -0.8214 1.1561 1.1561 3.2610 3.2610 5.0862 5.0862 5.3395 5.3395 5.8819 5.8819 6.8132 6.8132 8.6279 8.6279 9.5658 9.5658 9.7799 9.7799 10.4866 10.4866 k =-0.1837 0.3098 0.3602 ( 6195 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1912 -35.1912 -35.1886 -35.1886 -34.9071 -34.9071 -34.9026 -34.9026 -34.8998 -34.8998 -34.8990 -34.8990 -20.2383 -20.2383 -6.9869 -6.9869 -5.1446 -5.1446 -4.9123 -4.9123 -0.8651 -0.8651 1.1974 1.1974 3.2667 3.2667 5.0970 5.0970 5.3319 5.3319 5.9170 5.9170 6.7526 6.7526 8.6301 8.6301 9.5107 9.5107 9.8452 9.8452 10.5820 10.5820 k =-0.1764 0.2974 0.3458 ( 6193 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1914 -35.1914 -35.1884 -35.1884 -34.9073 -34.9073 -34.9023 -34.9023 -34.8999 -34.8999 -34.8989 -34.8989 -20.2387 -20.2387 -6.9844 -6.9844 -5.1377 -5.1377 -4.9121 -4.9121 -0.9097 -0.9097 1.2381 1.2381 3.2703 3.2703 5.1162 5.1162 5.3283 5.3283 5.9543 5.9543 6.6939 6.6939 8.6352 8.6352 9.4379 9.4379 9.9198 9.9198 10.6795 10.6795 k =-0.1690 0.2850 0.3314 ( 6181 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1915 -35.1915 -35.1883 -35.1883 -34.9075 -34.9075 -34.9021 -34.9021 -34.8999 -34.8999 -34.8989 -34.8989 -20.2391 -20.2391 -6.9819 -6.9819 -5.1303 -5.1303 -4.9119 -4.9119 -0.9551 -0.9551 1.2781 1.2781 3.2714 3.2714 5.1439 5.1439 5.3288 5.3288 5.9937 5.9937 6.6373 6.6373 8.6428 8.6428 9.3549 9.3549 9.9981 9.9981 10.7789 10.7789 k =-0.1617 0.2726 0.3170 ( 6175 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1916 -35.1916 -35.1881 -35.1881 -34.9077 -34.9077 -34.9019 -34.9019 -34.8999 -34.8999 -34.8989 -34.8989 -20.2395 -20.2395 -6.9792 -6.9792 -5.1226 -5.1226 -4.9116 -4.9116 -1.0008 -1.0008 1.3171 1.3171 3.2699 3.2699 5.1800 5.1800 5.3335 5.3335 6.0352 6.0352 6.5828 6.5828 8.6529 8.6529 9.2655 9.2655 10.0784 10.0784 10.8799 10.8799 k =-0.1543 0.2603 0.3026 ( 6179 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1918 -35.1918 -35.1880 -35.1880 -34.9080 -34.9080 -34.9016 -34.9016 -34.9000 -34.9000 -34.8988 -34.8988 -20.2400 -20.2400 -6.9764 -6.9764 -5.1146 -5.1146 -4.9110 -4.9110 -1.0466 -1.0466 1.3550 1.3550 3.2658 3.2658 5.2240 5.2240 5.3428 5.3428 6.0785 6.0785 6.5304 6.5304 8.6653 8.6653 9.1721 9.1721 10.1596 10.1596 10.9823 10.9823 k =-0.1470 0.2479 0.2882 ( 6185 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1919 -35.1919 -35.1879 -35.1879 -34.9082 -34.9082 -34.9014 -34.9014 -34.9000 -34.9000 -34.8988 -34.8988 -20.2404 -20.2404 -6.9736 -6.9736 -5.1065 -5.1065 -4.9102 -4.9102 -1.0922 -1.0922 1.3918 1.3918 3.2590 3.2590 5.2750 5.2750 5.3571 5.3571 6.1236 6.1236 6.4802 6.4802 8.6796 8.6796 9.0764 9.0764 10.2412 10.2412 11.0858 11.0858 k =-0.1396 0.2355 0.2738 ( 6187 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1920 -35.1920 -35.1878 -35.1878 -34.9084 -34.9084 -34.9012 -34.9012 -34.9000 -34.9000 -34.8987 -34.8987 -20.2409 -20.2409 -6.9707 -6.9707 -5.0983 -5.0983 -4.9092 -4.9092 -1.1375 -1.1375 1.4272 1.4272 3.2500 3.2500 5.3301 5.3301 5.3790 5.3790 6.1702 6.1702 6.4322 6.4322 8.6958 8.6958 8.9799 8.9799 10.3228 10.3228 11.1718 11.1718 k =-0.1323 0.2231 0.2593 ( 6179 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1921 -35.1921 -35.1876 -35.1876 -34.9086 -34.9086 -34.9010 -34.9010 -34.9001 -34.9001 -34.8987 -34.8987 -20.2414 -20.2414 -6.9678 -6.9678 -5.0901 -5.0901 -4.9078 -4.9078 -1.1821 -1.1821 1.4611 1.4611 3.2389 3.2389 5.3764 5.3764 5.4208 5.4208 6.2182 6.2182 6.3866 6.3866 8.7134 8.7134 8.8837 8.8837 10.4040 10.4040 11.0306 11.0306 k =-0.1249 0.2107 0.2449 ( 6185 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1922 -35.1922 -35.1875 -35.1875 -34.9088 -34.9088 -34.9008 -34.9008 -34.9001 -34.9001 -34.8987 -34.8987 -20.2419 -20.2419 -6.9650 -6.9650 -5.0822 -5.0822 -4.9059 -4.9059 -1.2258 -1.2258 1.4935 1.4935 3.2262 3.2262 5.4084 5.4084 5.4872 5.4872 6.2673 6.2673 6.3433 6.3433 8.7314 8.7314 8.7893 8.7893 10.4842 10.4842 10.8755 10.8755 k =-0.1176 0.1983 0.2305 ( 6187 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1924 -35.1924 -35.1874 -35.1874 -34.9090 -34.9090 -34.9007 -34.9007 -34.9001 -34.9001 -34.8986 -34.8986 -20.2424 -20.2424 -6.9622 -6.9622 -5.0745 -5.0745 -4.9037 -4.9037 -1.2684 -1.2684 1.5242 1.5242 3.2121 3.2121 5.4390 5.4390 5.5644 5.5644 6.3018 6.3018 6.3178 6.3178 8.6919 8.6919 8.7549 8.7549 10.5628 10.5628 10.7152 10.7152 k =-0.1102 0.1859 0.2161 ( 6191 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1925 -35.1925 -35.1873 -35.1873 -34.9091 -34.9091 -34.9005 -34.9005 -34.9002 -34.9002 -34.8986 -34.8986 -20.2428 -20.2428 -6.9594 -6.9594 -5.0672 -5.0672 -4.9009 -4.9009 -1.3097 -1.3097 1.5532 1.5532 3.1971 3.1971 5.4720 5.4720 5.6480 5.6480 6.2636 6.2636 6.3680 6.3680 8.6007 8.6007 8.7749 8.7749 10.5518 10.5518 10.6416 10.6416 k =-0.1029 0.1735 0.2017 ( 6185 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1926 -35.1926 -35.1872 -35.1872 -34.9093 -34.9093 -34.9003 -34.9003 -34.9002 -34.9002 -34.8985 -34.8985 -20.2433 -20.2433 -6.9567 -6.9567 -5.0605 -5.0605 -4.8975 -4.8975 -1.3494 -1.3494 1.5803 1.5803 3.1815 3.1815 5.5079 5.5079 5.7364 5.7364 6.2274 6.2274 6.4189 6.4189 8.5110 8.5110 8.7963 8.7963 10.3926 10.3926 10.7152 10.7152 k =-0.0955 0.1611 0.1873 ( 6187 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1926 -35.1926 -35.1871 -35.1871 -34.9094 -34.9094 -34.9002 -34.9002 -34.9002 -34.9002 -34.8985 -34.8985 -20.2438 -20.2438 -6.9541 -6.9541 -5.0544 -5.0544 -4.8937 -4.8937 -1.3875 -1.3875 1.6056 1.6056 3.1657 3.1657 5.5465 5.5465 5.8288 5.8288 6.1936 6.1936 6.4696 6.4696 8.4235 8.4235 8.8180 8.8180 10.2363 10.2363 10.7854 10.7854 k =-0.0882 0.1487 0.1729 ( 6175 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1927 -35.1927 -35.1870 -35.1870 -34.9096 -34.9096 -34.9002 -34.9002 -34.9000 -34.9000 -34.8985 -34.8985 -20.2442 -20.2442 -6.9517 -6.9517 -5.0489 -5.0489 -4.8894 -4.8894 -1.4236 -1.4236 1.6289 1.6289 3.1499 3.1499 5.5874 5.5874 5.9242 5.9242 6.1623 6.1623 6.5199 6.5199 8.3384 8.3384 8.8398 8.8398 10.0848 10.0848 10.8449 10.8449 k =-0.0808 0.1363 0.1585 ( 6179 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1928 -35.1928 -35.1869 -35.1869 -34.9097 -34.9097 -34.9003 -34.9003 -34.8999 -34.8999 -34.8984 -34.8984 -20.2446 -20.2446 -6.9493 -6.9493 -5.0441 -5.0441 -4.8847 -4.8847 -1.4576 -1.4576 1.6503 1.6503 3.1344 3.1344 5.6303 5.6303 6.0221 6.0221 6.1334 6.1334 6.5693 6.5693 8.2559 8.2559 8.8613 8.8613 9.9391 9.9391 10.8371 10.8371 k =-0.0735 0.1239 0.1441 ( 6179 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9098 -34.9098 -34.9003 -34.9003 -34.8997 -34.8997 -34.8984 -34.8984 -20.2450 -20.2450 -6.9472 -6.9472 -5.0400 -5.0400 -4.8797 -4.8797 -1.4893 -1.4893 1.6698 1.6698 3.1196 3.1196 5.6744 5.6744 6.1069 6.1069 6.1216 6.1216 6.6173 6.6173 8.1758 8.1758 8.8821 8.8821 9.8005 9.8005 10.7360 10.7360 k =-0.0661 0.1115 0.1297 ( 6171 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1868 -35.1868 -34.9099 -34.9099 -34.9003 -34.9003 -34.8996 -34.8996 -34.8984 -34.8984 -20.2454 -20.2454 -6.9451 -6.9451 -5.0366 -5.0366 -4.8745 -4.8745 -1.5186 -1.5186 1.6873 1.6873 3.1055 3.1055 5.7190 5.7190 6.0831 6.0831 6.2215 6.2215 6.6635 6.6635 8.0981 8.0981 8.9021 8.9021 9.6699 9.6699 10.6239 10.6239 k =-0.0588 0.0991 0.1153 ( 6171 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1930 -35.1930 -35.1867 -35.1867 -34.9100 -34.9100 -34.9003 -34.9003 -34.8995 -34.8995 -34.8984 -34.8984 -20.2457 -20.2457 -6.9433 -6.9433 -5.0337 -5.0337 -4.8693 -4.8693 -1.5452 -1.5452 1.7029 1.7029 3.0925 3.0925 5.7634 5.7634 6.0617 6.0617 6.3211 6.3211 6.7073 6.7073 8.0227 8.0227 8.9209 8.9209 9.5483 9.5483 10.5150 10.5150 k =-0.0514 0.0868 0.1009 ( 6165 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1930 -35.1930 -35.1867 -35.1867 -34.9101 -34.9101 -34.9004 -34.9004 -34.8994 -34.8994 -34.8983 -34.8983 -20.2460 -20.2460 -6.9417 -6.9417 -5.0313 -5.0313 -4.8643 -4.8643 -1.5691 -1.5691 1.7166 1.7166 3.0806 3.0806 5.8065 5.8065 6.0428 6.0428 6.4192 6.4192 6.7483 6.7483 7.9496 7.9496 8.9383 8.9383 9.4370 9.4370 10.4131 10.4131 k =-0.0441 0.0744 0.0864 ( 6165 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1866 -35.1866 -34.9102 -34.9102 -34.9004 -34.9004 -34.8993 -34.8993 -34.8983 -34.8983 -20.2463 -20.2463 -6.9402 -6.9402 -5.0295 -5.0295 -4.8595 -4.8595 -1.5901 -1.5901 1.7284 1.7284 3.0700 3.0700 5.8472 5.8472 6.0264 6.0264 6.5142 6.5142 6.7860 6.7860 7.8790 7.8790 8.9539 8.9539 9.3370 9.3370 10.3203 10.3203 k =-0.0367 0.0620 0.0720 ( 6163 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1866 -35.1866 -34.9102 -34.9102 -34.9004 -34.9004 -34.8993 -34.8993 -34.8983 -34.8983 -20.2466 -20.2466 -6.9390 -6.9390 -5.0280 -5.0280 -4.8552 -4.8552 -1.6081 -1.6081 1.7384 1.7384 3.0609 3.0609 5.8844 5.8844 6.0125 6.0125 6.6039 6.6039 6.8204 6.8204 7.8114 7.8114 8.9675 8.9675 9.2497 9.2497 10.2385 10.2385 k =-0.0294 0.0496 0.0576 ( 6163 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9103 -34.9103 -34.9004 -34.9004 -34.8992 -34.8992 -34.8983 -34.8983 -20.2467 -20.2467 -6.9380 -6.9380 -5.0269 -5.0269 -4.8515 -4.8515 -1.6230 -1.6230 1.7464 1.7464 3.0533 3.0533 5.9170 5.9170 6.0013 6.0013 6.6854 6.6854 6.8515 6.8515 7.7479 7.7479 8.9788 8.9788 9.1762 9.1762 10.1691 10.1691 k =-0.0220 0.0372 0.0432 ( 6179 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2469 -20.2469 -6.9372 -6.9372 -5.0260 -5.0260 -4.8485 -4.8485 -1.6347 -1.6347 1.7527 1.7527 3.0473 3.0473 5.9436 5.9436 5.9926 5.9926 6.7539 6.7539 6.8803 6.8803 7.6908 7.6908 8.9874 8.9874 9.1180 9.1180 10.1135 10.1135 k =-0.0147 0.0248 0.0288 ( 6185 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2470 -20.2470 -6.9366 -6.9366 -5.0255 -5.0255 -4.8463 -4.8463 -1.6430 -1.6430 1.7572 1.7572 3.0429 3.0429 5.9630 5.9630 5.9869 5.9869 6.8036 6.8036 6.9076 6.9076 7.6436 7.6436 8.9930 8.9930 9.0763 9.0763 10.0729 10.0729 k =-0.0073 0.0124 0.0144 ( 6181 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9363 -6.9363 -5.0251 -5.0251 -4.8450 -4.8450 -1.6481 -1.6481 1.7598 1.7598 3.0403 3.0403 5.9736 5.9736 5.9849 5.9849 6.8316 6.8316 6.9300 6.9300 7.6115 7.6115 8.9954 8.9954 9.0519 9.0519 10.0482 10.0482 k = 0.0000 0.0000 0.0000 ( 6193 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9362 -6.9362 -5.0250 -5.0250 -4.8445 -4.8445 -1.6498 -1.6498 1.7607 1.7607 3.0395 3.0395 5.9757 5.9757 5.9857 5.9857 6.8402 6.8402 6.9391 6.9391 7.6000 7.6000 8.9957 8.9957 9.0442 9.0442 10.0399 10.0399 k = 0.0000 0.0000 0.0000 ( 6193 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9362 -6.9362 -5.0250 -5.0250 -4.8445 -4.8445 -1.6498 -1.6498 1.7607 1.7607 3.0395 3.0395 5.9757 5.9757 5.9857 5.9857 6.8402 6.8402 6.9391 6.9391 7.6000 7.6000 8.9957 8.9957 9.0442 9.0442 10.0399 10.0399 k = 0.0172 0.0102-0.0000 ( 6185 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9362 -6.9362 -5.0252 -5.0252 -4.8445 -4.8445 -1.6484 -1.6484 1.7504 1.7504 3.0522 3.0522 5.9747 5.9747 5.9852 5.9852 6.8428 6.8428 6.9413 6.9413 7.5968 7.5968 8.9834 8.9834 9.0499 9.0499 10.0490 10.0490 k = 0.0345 0.0204-0.0000 ( 6157 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9364 -6.9364 -5.0258 -5.0258 -4.8446 -4.8446 -1.6441 -1.6441 1.7208 1.7208 3.0893 3.0893 5.9719 5.9719 5.9835 5.9835 6.8507 6.8507 6.9481 6.9481 7.5873 7.5873 8.9482 8.9482 9.0671 9.0671 10.0749 10.0749 k = 0.0517 0.0307-0.0000 ( 6173 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9366 -6.9366 -5.0268 -5.0268 -4.8447 -4.8447 -1.6371 -1.6371 1.6747 1.6747 3.1477 3.1477 5.9673 5.9673 5.9808 5.9808 6.8637 6.8637 6.9592 6.9592 7.5719 7.5719 8.8937 8.8937 9.0951 9.0951 10.1135 10.1135 k = 0.0690 0.0409-0.0000 ( 6165 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9370 -6.9370 -5.0281 -5.0281 -4.8448 -4.8448 -1.6273 -1.6273 1.6159 1.6159 3.2238 3.2238 5.9612 5.9612 5.9772 5.9772 6.8815 6.8815 6.9746 6.9746 7.5514 7.5514 8.8249 8.8249 9.1333 9.1333 10.1604 10.1604 k = 0.0862 0.0511-0.0000 ( 6157 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2471 -20.2471 -6.9375 -6.9375 -5.0298 -5.0298 -4.8449 -4.8449 -1.6149 -1.6149 1.5479 1.5479 3.3139 3.3139 5.9538 5.9538 5.9727 5.9727 6.9039 6.9039 6.9941 6.9941 7.5267 7.5267 8.7458 8.7458 9.1807 9.1807 10.2113 10.2113 k = 0.1034 0.0613-0.0000 ( 6149 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2470 -20.2470 -6.9380 -6.9380 -5.0318 -5.0318 -4.8450 -4.8450 -1.5997 -1.5997 1.4736 1.4736 3.4151 3.4151 5.9452 5.9452 5.9676 5.9676 6.9306 6.9306 7.0175 7.0175 7.4985 7.4985 8.6600 8.6600 9.2366 9.2366 10.2630 10.2630 k = 0.1207 0.0716-0.0000 ( 6165 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2470 -20.2470 -6.9387 -6.9387 -5.0341 -5.0341 -4.8452 -4.8452 -1.5820 -1.5820 1.3952 1.3952 3.5252 3.5252 5.9358 5.9358 5.9619 5.9619 6.9612 6.9612 7.0446 7.0446 7.4678 7.4678 8.5703 8.5703 9.3000 9.3000 10.3133 10.3133 k = 0.1379 0.0818-0.0000 ( 6165 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2470 -20.2470 -6.9394 -6.9394 -5.0366 -5.0366 -4.8454 -4.8454 -1.5618 -1.5618 1.3142 1.3142 3.6424 3.6424 5.9258 5.9258 5.9558 5.9558 6.9954 6.9954 7.0750 7.0750 7.4353 7.4353 8.4785 8.4785 9.3701 9.3701 10.3604 10.3604 k = 0.1552 0.0920-0.0000 ( 6169 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2469 -20.2469 -6.9402 -6.9402 -5.0394 -5.0394 -4.8457 -4.8457 -1.5392 -1.5392 1.2320 1.2320 3.7655 3.7655 5.9155 5.9155 5.9495 5.9495 7.0328 7.0328 7.1085 7.1085 7.4018 7.4018 8.3864 8.3864 9.4462 9.4462 10.4034 10.4034 k = 0.1724 0.1022-0.0000 ( 6181 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2469 -20.2469 -6.9411 -6.9411 -5.0424 -5.0424 -4.8459 -4.8459 -1.5144 -1.5144 1.1494 1.1494 3.8933 3.8933 5.9050 5.9050 5.9430 5.9430 7.0730 7.0730 7.1449 7.1449 7.3677 7.3677 8.2951 8.2951 9.5276 9.5276 10.4409 10.4409 k = 0.1897 0.1125-0.0000 ( 6181 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2469 -20.2469 -6.9420 -6.9420 -5.0455 -5.0455 -4.8462 -4.8462 -1.4874 -1.4874 1.0671 1.0671 4.0251 4.0251 5.8945 5.8945 5.9365 5.9365 7.1158 7.1158 7.1838 7.1838 7.3337 7.3337 8.2058 8.2058 9.6138 9.6138 10.4714 10.4714 k = 0.2069 0.1227-0.0000 ( 6186 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2468 -20.2468 -6.9429 -6.9429 -5.0488 -5.0488 -4.8464 -4.8464 -1.4585 -1.4585 0.9855 0.9855 4.1602 4.1602 5.8842 5.8842 5.9301 5.9301 7.1607 7.1607 7.2247 7.2247 7.3002 7.3002 8.1194 8.1194 9.7042 9.7042 10.4894 10.4894 k = 0.2241 0.1329-0.0000 ( 6182 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2468 -20.2468 -6.9439 -6.9439 -5.0521 -5.0521 -4.8467 -4.8467 -1.4277 -1.4277 0.9051 0.9051 4.2980 4.2980 5.8742 5.8742 5.9238 5.9238 7.2073 7.2073 7.2619 7.2619 7.2732 7.2732 8.0365 8.0365 9.7985 9.7985 10.4967 10.4967 k = 0.2414 0.1431-0.0000 ( 6186 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2468 -20.2468 -6.9449 -6.9449 -5.0555 -5.0555 -4.8470 -4.8470 -1.3952 -1.3952 0.8262 0.8262 4.4378 4.4378 5.8645 5.8645 5.9178 5.9178 7.2346 7.2346 7.2554 7.2554 7.3132 7.3133 7.9580 7.9580 9.8962 9.8962 10.4728 10.4728 k = 0.2586 0.1534-0.0000 ( 6182 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2467 -20.2467 -6.9459 -6.9459 -5.0589 -5.0589 -4.8473 -4.8473 -1.3614 -1.3614 0.7491 0.7491 4.5791 4.5791 5.8553 5.8553 5.9121 5.9121 7.2043 7.2043 7.3044 7.3044 7.3589 7.3589 7.8846 7.8846 9.9969 9.9969 10.4033 10.4033 k = 0.2759 0.1636-0.0000 ( 6166 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2467 -20.2467 -6.9469 -6.9469 -5.0622 -5.0622 -4.8476 -4.8476 -1.3263 -1.3263 0.6740 0.6740 4.7212 4.7212 5.8467 5.8467 5.9067 5.9067 7.1753 7.1753 7.3541 7.3541 7.4054 7.4054 7.8169 7.8169 10.1003 10.1003 10.2827 10.2827 k = 0.2931 0.1738-0.0000 ( 6166 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2467 -20.2467 -6.9478 -6.9478 -5.0654 -5.0654 -4.8478 -4.8478 -1.2903 -1.2903 0.6013 0.6013 4.8633 4.8633 5.8386 5.8386 5.9016 5.9016 7.1479 7.1479 7.4038 7.4038 7.4523 7.4523 7.7559 7.7559 10.1259 10.1259 10.2058 10.2058 k = 0.3103 0.1840-0.0000 ( 6162 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8983 -34.8983 -20.2466 -20.2466 -6.9488 -6.9488 -5.0686 -5.0686 -4.8481 -4.8481 -1.2537 -1.2537 0.5312 0.5312 5.0045 5.0045 5.8311 5.8311 5.8970 5.8970 7.1224 7.1224 7.4529 7.4529 7.4990 7.4990 7.7023 7.7023 9.9499 9.9499 10.3131 10.3131 k = 0.3276 0.1943-0.0000 ( 6182 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1865 -35.1865 -34.9104 -34.9104 -34.9004 -34.9004 -34.8991 -34.8991 -34.8984 -34.8984 -20.2466 -20.2466 -6.9497 -6.9497 -5.0715 -5.0715 -4.8484 -4.8484 -1.2168 -1.2168 0.4639 0.4639 5.1437 5.1437 5.8243 5.8243 5.8927 5.8927 7.0987 7.0987 7.5008 7.5008 7.5451 7.5451 7.6573 7.6573 9.7650 9.7650 10.4215 10.4215 k = 0.3448 0.2045-0.0000 ( 6182 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9003 -34.9003 -34.8992 -34.8992 -34.8984 -34.8984 -20.2466 -20.2466 -6.9505 -6.9505 -5.0743 -5.0743 -4.8486 -4.8486 -1.1800 -1.1800 0.4000 0.4000 5.2797 5.2797 5.8181 5.8181 5.8888 5.8888 7.0770 7.0770 7.5455 7.5455 7.5899 7.5899 7.6233 7.6233 9.5770 9.5770 10.5300 10.5300 k = 0.3621 0.2147-0.0000 ( 6182 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9103 -34.9103 -34.9003 -34.9003 -34.8992 -34.8992 -34.8984 -34.8984 -20.2465 -20.2465 -6.9513 -6.9513 -5.0769 -5.0769 -4.8488 -4.8488 -1.1438 -1.1438 0.3397 0.3397 5.4106 5.4106 5.8125 5.8125 5.8854 5.8854 7.0575 7.0575 7.5754 7.5754 7.6124 7.6124 7.6328 7.6328 9.3892 9.3892 10.6312 10.6312 k = 0.3793 0.2249-0.0000 ( 6194 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9003 -34.9003 -34.8992 -34.8992 -34.8984 -34.8984 -20.2465 -20.2465 -6.9520 -6.9520 -5.0792 -5.0792 -4.8490 -4.8490 -1.1089 -1.1089 0.2837 0.2837 5.5347 5.5347 5.8076 5.8076 5.8824 5.8824 7.0401 7.0401 7.5730 7.5730 7.6428 7.6428 7.6731 7.6731 9.2040 9.2040 10.6670 10.6670 k = 0.3966 0.2351-0.0000 ( 6202 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2465 -20.2465 -6.9527 -6.9527 -5.0813 -5.0813 -4.8492 -4.8492 -1.0758 -1.0758 0.2325 0.2325 5.6495 5.6495 5.8034 5.8034 5.8797 5.8797 7.0249 7.0249 7.5738 7.5738 7.6795 7.6795 7.7101 7.7101 9.0236 9.0236 10.6832 10.6832 k = 0.4138 0.2454-0.0000 ( 6202 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2465 -20.2465 -6.9533 -6.9533 -5.0831 -5.0831 -4.8494 -4.8494 -1.0454 -1.0454 0.1869 0.1869 5.7522 5.7522 5.8001 5.8001 5.8776 5.8776 7.0120 7.0120 7.5874 7.5874 7.7133 7.7133 7.7431 7.7431 8.8501 8.8501 10.6967 10.6967 k = 0.4310 0.2556-0.0000 ( 6214 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9537 -6.9537 -5.0846 -5.0846 -4.8495 -4.8495 -1.0185 -1.0185 0.1477 0.1477 5.7964 5.7964 5.8416 5.8416 5.8758 5.8758 7.0014 7.0014 7.6153 7.6153 7.7424 7.7424 7.7713 7.7713 8.6864 8.6864 10.7080 10.7080 k = 0.4483 0.2658-0.0000 ( 6222 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9541 -6.9541 -5.0858 -5.0858 -4.8496 -4.8496 -0.9962 -0.9962 0.1158 0.1158 5.7944 5.7944 5.8744 5.8744 5.9128 5.9128 6.9931 6.9931 7.6563 7.6563 7.7661 7.7661 7.7941 7.7941 8.5365 8.5365 10.7171 10.7171 k = 0.4655 0.2760-0.0000 ( 6226 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9544 -6.9544 -5.0866 -5.0866 -4.8497 -4.8497 -0.9794 -0.9794 0.0922 0.0922 5.7928 5.7928 5.8734 5.8734 5.9653 5.9653 6.9872 6.9872 7.7056 7.7056 7.7837 7.7837 7.8108 7.8108 8.4078 8.4078 10.7237 10.7237 k = 0.4828 0.2863-0.0000 ( 6226 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9545 -6.9545 -5.0871 -5.0871 -4.8497 -4.8497 -0.9689 -0.9689 0.0776 0.0776 5.7919 5.7919 5.8728 5.8728 5.9973 5.9973 6.9836 6.9836 7.7507 7.7507 7.7949 7.7949 7.8211 7.8211 8.3139 8.3139 10.7277 10.7277 k = 0.5000 0.2965-0.0000 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9546 -6.9546 -5.0873 -5.0873 -4.8497 -4.8497 -0.9654 -0.9654 0.0727 0.0727 5.7916 5.7916 5.8726 5.8726 6.0080 6.0080 6.9824 6.9824 7.7700 7.7700 7.7992 7.7992 7.8245 7.8245 8.2777 8.2777 10.7291 10.7291 k = 0.5000 0.2965-0.0000 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9546 -6.9546 -5.0873 -5.0873 -4.8497 -4.8497 -0.9654 -0.9654 0.0727 0.0727 5.7916 5.7916 5.8726 5.8726 6.0080 6.0080 6.9824 6.9824 7.7700 7.7700 7.7992 7.7992 7.8245 7.8245 8.2777 8.2777 10.7291 10.7291 k = 0.4926 0.3089 0.0144 ( 6224 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9547 -6.9547 -5.0873 -5.0873 -4.8502 -4.8502 -0.9641 -0.9641 0.0734 0.0734 5.7765 5.7765 5.8582 5.8582 6.0236 6.0236 6.9927 6.9927 7.7744 7.7744 7.7920 7.7920 7.8196 7.8196 8.2902 8.2902 10.6869 10.6869 k = 0.4853 0.3213 0.0289 ( 6228 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2463 -20.2463 -6.9549 -6.9549 -5.0874 -5.0874 -4.8514 -4.8514 -0.9601 -0.9601 0.0754 0.0754 5.7247 5.7247 5.8411 5.8411 6.0523 6.0523 7.0220 7.0220 7.7521 7.7521 7.7967 7.7967 7.8180 7.8180 8.3237 8.3237 10.6089 10.6089 k = 0.4779 0.3337 0.0433 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2462 -20.2462 -6.9553 -6.9553 -5.0876 -5.0876 -4.8535 -4.8535 -0.9535 -0.9535 0.0787 0.0787 5.6442 5.6442 5.8321 5.8321 6.0784 6.0784 7.0666 7.0666 7.6964 7.6964 7.8177 7.8177 7.8304 7.8304 8.3704 8.3704 10.5266 10.5266 k = 0.4706 0.3461 0.0577 ( 6224 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1867 -35.1867 -34.9103 -34.9103 -34.9004 -34.9004 -34.8993 -34.8993 -34.8984 -34.8984 -20.2461 -20.2461 -6.9560 -6.9560 -5.0879 -5.0879 -4.8564 -4.8564 -0.9443 -0.9443 0.0834 0.0834 5.5484 5.5484 5.8258 5.8258 6.0985 6.0985 7.1217 7.1217 7.6281 7.6281 7.8250 7.8250 7.8728 7.8728 8.4240 8.4240 10.4466 10.4466 k = 0.4632 0.3585 0.0721 ( 6216 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1867 -35.1867 -34.9102 -34.9102 -34.9004 -34.9004 -34.8993 -34.8993 -34.8985 -34.8985 -20.2459 -20.2459 -6.9567 -6.9567 -5.0883 -5.0883 -4.8599 -4.8599 -0.9327 -0.9327 0.0895 0.0895 5.4438 5.4438 5.8198 5.8198 6.1128 6.1128 7.1825 7.1825 7.5525 7.5525 7.8328 7.8328 7.9300 7.9300 8.4808 8.4808 10.3697 10.3697 k = 0.4558 0.3709 0.0866 ( 6212 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1931 -35.1931 -35.1867 -35.1867 -34.9102 -34.9102 -34.9004 -34.9004 -34.8994 -34.8994 -34.8985 -34.8985 -20.2457 -20.2457 -6.9577 -6.9577 -5.0888 -5.0888 -4.8640 -4.8640 -0.9187 -0.9187 0.0969 0.0969 5.3335 5.3335 5.8133 5.8133 6.1222 6.1222 7.2456 7.2456 7.4725 7.4725 7.8421 7.8421 8.0004 8.0004 8.5387 8.5387 10.2767 10.2767 k = 0.4485 0.3834 0.1010 ( 6210 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1931 -35.1931 -35.1868 -35.1868 -34.9101 -34.9101 -34.9004 -34.9004 -34.8994 -34.8994 -34.8985 -34.8985 -20.2454 -20.2454 -6.9588 -6.9588 -5.0896 -5.0896 -4.8686 -4.8686 -0.9025 -0.9025 0.1056 0.1056 5.2198 5.2198 5.8061 5.8061 6.1276 6.1276 7.3086 7.3086 7.3897 7.3897 7.8529 7.8529 8.0829 8.0829 8.5967 8.5967 10.1742 10.1742 k = 0.4411 0.3958 0.1154 ( 6206 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1930 -35.1930 -35.1868 -35.1868 -34.9100 -34.9100 -34.9003 -34.9003 -34.8995 -34.8995 -34.8985 -34.8985 -20.2451 -20.2451 -6.9600 -6.9600 -5.0906 -5.0906 -4.8736 -4.8736 -0.8842 -0.8842 0.1157 0.1157 5.1042 5.1042 5.7982 5.7982 6.1296 6.1296 7.3044 7.3044 7.3716 7.3716 7.8650 7.8650 8.1761 8.1761 8.6541 8.6541 10.0761 10.0761 k = 0.4338 0.4082 0.1299 ( 6198 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9099 -34.9099 -34.9003 -34.9003 -34.8996 -34.8996 -34.8985 -34.8985 -20.2448 -20.2448 -6.9614 -6.9614 -5.0919 -5.0919 -4.8788 -4.8788 -0.8641 -0.8641 0.1271 0.1271 4.9878 4.9878 5.7895 5.7895 6.1284 6.1284 7.2189 7.2189 7.4328 7.4328 7.8784 7.8784 8.2779 8.2779 8.7108 8.7108 9.9838 9.9838 k = 0.4264 0.4206 0.1443 ( 6196 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9098 -34.9098 -34.9003 -34.9003 -34.8997 -34.8997 -34.8985 -34.8985 -20.2444 -20.2444 -6.9629 -6.9629 -5.0935 -5.0935 -4.8842 -4.8842 -0.8423 -0.8423 0.1398 0.1398 4.8716 4.8716 5.7802 5.7802 6.1244 6.1244 7.1328 7.1328 7.4936 7.4936 7.8927 7.8927 8.3861 8.3861 8.7668 8.7668 9.8985 9.8985 k = 0.4191 0.4330 0.1587 ( 6192 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1928 -35.1928 -35.1870 -35.1870 -34.9097 -34.9097 -34.9003 -34.9003 -34.8999 -34.8999 -34.8985 -34.8985 -20.2440 -20.2440 -6.9646 -6.9646 -5.0955 -5.0955 -4.8895 -4.8895 -0.8190 -0.8190 0.1539 0.1539 4.7561 4.7561 5.7703 5.7703 6.1174 6.1174 7.0468 7.0468 7.5545 7.5545 7.9079 7.9079 8.4983 8.4983 8.8221 8.8221 9.8213 9.8213 k = 0.4117 0.4454 0.1731 ( 6194 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1927 -35.1927 -35.1871 -35.1871 -34.9095 -34.9095 -34.9002 -34.9002 -34.9000 -34.9000 -34.8986 -34.8986 -20.2436 -20.2436 -6.9664 -6.9664 -5.0979 -5.0979 -4.8947 -4.8947 -0.7944 -0.7944 0.1693 0.1693 4.6422 4.6422 5.7599 5.7599 6.1074 6.1074 6.9611 6.9611 7.6160 7.6160 7.9235 7.9235 8.6119 8.6119 8.8768 8.8768 9.7541 9.7541 k = 0.4043 0.4578 0.1876 ( 6182 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1926 -35.1926 -35.1872 -35.1872 -34.9094 -34.9094 -34.9002 -34.9002 -34.9001 -34.9001 -34.8986 -34.8986 -20.2432 -20.2432 -6.9683 -6.9683 -5.1008 -5.1008 -4.8995 -4.8995 -0.7689 -0.7689 0.1861 0.1861 4.5301 4.5301 5.7491 5.7491 6.0943 6.0943 6.8763 6.8763 7.6786 7.6786 7.9393 7.9393 8.7239 8.7239 8.9309 8.9309 9.6993 9.6993 k = 0.3970 0.4702 0.2020 ( 6182 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1925 -35.1925 -35.1872 -35.1872 -34.9092 -34.9092 -34.9003 -34.9003 -34.9002 -34.9002 -34.8986 -34.8986 -20.2427 -20.2427 -6.9703 -6.9703 -5.1042 -5.1042 -4.9040 -4.9040 -0.7427 -0.7427 0.2042 0.2042 4.4205 4.4205 5.7380 5.7380 6.0781 6.0781 6.7924 6.7924 7.7426 7.7426 7.9548 7.9548 8.8301 8.8301 8.9845 8.9845 9.6604 9.6604 k = 0.3896 0.4826 0.2164 ( 6190 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1924 -35.1924 -35.1873 -35.1873 -34.9091 -34.9091 -34.9005 -34.9005 -34.9002 -34.9002 -34.8987 -34.8987 -20.2423 -20.2423 -6.9723 -6.9723 -5.1081 -5.1081 -4.9081 -4.9081 -0.7160 -0.7160 0.2236 0.2236 4.3138 4.3138 5.7268 5.7268 6.0585 6.0585 6.7098 6.7098 7.8081 7.8081 7.9696 7.9696 8.9250 8.9250 9.0375 9.0375 9.6425 9.6425 k = 0.3823 0.4950 0.2308 ( 6186 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1923 -35.1923 -35.1874 -35.1874 -34.9089 -34.9089 -34.9006 -34.9006 -34.9001 -34.9001 -34.8987 -34.8987 -20.2418 -20.2418 -6.9745 -6.9745 -5.1124 -5.1124 -4.9116 -4.9116 -0.6892 -0.6892 0.2443 0.2443 4.2103 4.2103 5.7156 5.7156 6.0356 6.0356 6.6286 6.6286 7.8753 7.8753 7.9829 7.9829 9.0023 9.0023 9.0896 9.0896 9.6517 9.6517 k = 0.3749 0.5075 0.2453 ( 6202 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1923 -35.1923 -35.1875 -35.1875 -34.9088 -34.9088 -34.9008 -34.9008 -34.9001 -34.9001 -34.8987 -34.8987 -20.2414 -20.2414 -6.9766 -6.9766 -5.1171 -5.1171 -4.9146 -4.9146 -0.6626 -0.6626 0.2663 0.2663 4.1103 4.1103 5.7046 5.7046 6.0092 6.0092 6.5490 6.5490 7.9439 7.9439 7.9943 7.9943 9.0574 9.0574 9.1402 9.1402 9.6921 9.6921 k = 0.3675 0.5199 0.2597 ( 6215 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1922 -35.1922 -35.1877 -35.1877 -34.9086 -34.9086 -34.9010 -34.9010 -34.9001 -34.9001 -34.8988 -34.8988 -20.2409 -20.2409 -6.9788 -6.9788 -5.1222 -5.1222 -4.9170 -4.9170 -0.6365 -0.6365 0.2896 0.2896 4.0144 4.0144 5.6939 5.6939 5.9794 5.9794 6.4711 6.4711 8.0004 8.0004 8.0163 8.0163 9.0913 9.0913 9.1878 9.1878 9.7560 9.7560 k = 0.3602 0.5323 0.2741 ( 6207 PWs) bands (ev): -68.2498 -68.2498 -68.2490 -68.2490 -35.1920 -35.1920 -35.1878 -35.1878 -34.9084 -34.9084 -34.9012 -34.9012 -34.9001 -34.9001 -34.8988 -34.8988 -20.2404 -20.2404 -6.9810 -6.9810 -5.1275 -5.1275 -4.9188 -4.9188 -0.6112 -0.6112 0.3142 0.3142 3.9227 3.9227 5.6836 5.6836 5.9462 5.9462 6.3951 6.3951 8.0060 8.0060 8.0866 8.0866 9.1107 9.1107 9.2297 9.2297 9.7050 9.7050 k = 0.3528 0.5447 0.2886 ( 6215 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1919 -35.1919 -35.1879 -35.1879 -34.9082 -34.9082 -34.9015 -34.9015 -34.9000 -34.9000 -34.8988 -34.8988 -20.2400 -20.2400 -6.9832 -6.9832 -5.1330 -5.1330 -4.9202 -4.9202 -0.5871 -0.5871 0.3401 0.3401 3.8356 3.8356 5.6739 5.6739 5.9098 5.9098 6.3211 6.3211 8.0054 8.0054 8.1590 8.1590 9.1230 9.1230 9.2603 9.2603 9.6492 9.6492 k = 0.3455 0.5571 0.3030 ( 6217 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1918 -35.1918 -35.1881 -35.1881 -34.9080 -34.9080 -34.9017 -34.9017 -34.9000 -34.9000 -34.8989 -34.8989 -20.2396 -20.2396 -6.9853 -6.9853 -5.1386 -5.1386 -4.9211 -4.9211 -0.5646 -0.5646 0.3672 0.3672 3.7534 3.7534 5.6650 5.6650 5.8704 5.8704 6.2491 6.2491 7.9989 7.9989 8.2322 8.2322 9.1339 9.1339 9.2708 9.2708 9.6135 9.6135 k = 0.3381 0.5695 0.3174 ( 6215 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1917 -35.1917 -35.1882 -35.1882 -34.9078 -34.9078 -34.9019 -34.9019 -34.8999 -34.8999 -34.8989 -34.8989 -20.2391 -20.2391 -6.9874 -6.9874 -5.1441 -5.1441 -4.9216 -4.9216 -0.5439 -0.5439 0.3955 0.3955 3.6765 3.6765 5.6571 5.6571 5.8282 5.8282 6.1792 6.1792 7.9855 7.9855 8.3057 8.3057 9.1469 9.1469 9.2556 9.2556 9.5761 9.5761 k = 0.3307 0.5819 0.3318 ( 6209 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1915 -35.1915 -35.1883 -35.1883 -34.9076 -34.9076 -34.9021 -34.9021 -34.8999 -34.8999 -34.8990 -34.8990 -20.2387 -20.2387 -6.9894 -6.9894 -5.1495 -5.1495 -4.9217 -4.9217 -0.5255 -0.5255 0.4251 0.4251 3.6051 3.6051 5.6502 5.6502 5.7835 5.7835 6.1116 6.1116 7.9646 7.9646 8.3791 8.3791 9.1631 9.1631 9.2201 9.2201 9.5402 9.5402 k = 0.3234 0.5943 0.3463 ( 6207 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1914 -35.1914 -35.1884 -35.1884 -34.9073 -34.9073 -34.9024 -34.9024 -34.8999 -34.8999 -34.8990 -34.8990 -20.2384 -20.2384 -6.9913 -6.9913 -5.1547 -5.1547 -4.9216 -4.9216 -0.5096 -0.5096 0.4559 0.4559 3.5394 3.5394 5.6444 5.6444 5.7368 5.7368 6.0463 6.0463 7.9359 7.9359 8.4520 8.4520 9.1618 9.1618 9.1962 9.1962 9.5156 9.5156 k = 0.3160 0.6067 0.3607 ( 6203 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1912 -35.1912 -35.1886 -35.1886 -34.9071 -34.9071 -34.9026 -34.9026 -34.8998 -34.8998 -34.8990 -34.8990 -20.2380 -20.2380 -6.9930 -6.9930 -5.1596 -5.1596 -4.9212 -4.9212 -0.4967 -0.4967 0.4879 0.4879 3.4796 3.4796 5.6396 5.6396 5.6888 5.6888 5.9833 5.9833 7.8995 7.8995 8.5240 8.5240 9.1131 9.1131 9.2214 9.2214 9.5032 9.5032 k = 0.3087 0.6191 0.3751 ( 6211 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1911 -35.1911 -35.1887 -35.1887 -34.9069 -34.9069 -34.9029 -34.9029 -34.8998 -34.8998 -34.8991 -34.8991 -20.2377 -20.2377 -6.9946 -6.9946 -5.1641 -5.1641 -4.9206 -4.9206 -0.4869 -0.4869 0.5210 0.5210 3.4261 3.4261 5.6301 5.6301 5.6458 5.6458 5.9227 5.9227 7.8558 7.8558 8.5950 8.5950 9.0600 9.0600 9.2567 9.2567 9.5029 9.5029 k = 0.3013 0.6316 0.3896 ( 6205 PWs) bands (ev): -68.2496 -68.2496 -68.2492 -68.2492 -35.1909 -35.1909 -35.1889 -35.1889 -34.9066 -34.9066 -34.9031 -34.9031 -34.8997 -34.8997 -34.8991 -34.8991 -20.2374 -20.2374 -6.9960 -6.9960 -5.1681 -5.1681 -4.9199 -4.9199 -0.4806 -0.4806 0.5552 0.5552 3.3787 3.3787 5.5856 5.5856 5.6384 5.6384 5.8646 5.8646 7.8055 7.8055 8.6648 8.6648 9.0077 9.0077 9.2984 9.2984 9.5138 9.5138 k = 0.2940 0.6440 0.4040 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9063 -34.9063 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9972 -6.9972 -5.1716 -5.1716 -4.9192 -4.9192 -0.4780 -0.4780 0.5905 0.5905 3.3377 3.3377 5.5351 5.5351 5.6385 5.6385 5.8091 5.8091 7.7496 7.7496 8.7335 8.7335 8.9579 8.9579 9.3455 9.3455 9.5352 9.5352 k = 0.2940 0.6440 0.4040 ( 6201 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1890 -35.1890 -34.9063 -34.9063 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9972 -6.9972 -5.1716 -5.1716 -4.9192 -4.9192 -0.4780 -0.4780 0.5905 0.5905 3.3377 3.3377 5.5351 5.5351 5.6385 5.6385 5.8091 5.8091 7.7496 7.7496 8.7335 8.7335 8.9579 8.9579 9.3455 9.3455 9.5352 9.5352 k = 0.2756 0.6393 0.4094 ( 6203 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1891 -35.1891 -34.9063 -34.9063 -34.9034 -34.9034 -34.8997 -34.8997 -34.8992 -34.8992 -20.2371 -20.2371 -6.9976 -6.9976 -5.1728 -5.1728 -4.9189 -4.9189 -0.4786 -0.4786 0.6044 0.6044 3.3267 3.3267 5.4829 5.4829 5.6396 5.6396 5.8215 5.8215 7.7265 7.7265 8.7245 8.7245 8.9673 8.9673 9.3537 9.3537 9.5361 9.5361 k = 0.2572 0.6347 0.4148 ( 6204 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1891 -35.1891 -34.9062 -34.9062 -34.9035 -34.9035 -34.8997 -34.8997 -34.8992 -34.8992 -20.2370 -20.2370 -6.9980 -6.9980 -5.1738 -5.1738 -4.9185 -4.9185 -0.4804 -0.4804 0.6190 0.6190 3.3221 3.3221 5.3902 5.3902 5.6413 5.6413 5.8741 5.8741 7.7014 7.7014 8.6640 8.6640 9.0140 9.0140 9.3469 9.3469 9.5208 9.5208 k = 0.2388 0.6301 0.4201 ( 6204 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1892 -35.1892 -34.9061 -34.9061 -34.9036 -34.9036 -34.8996 -34.8996 -34.8992 -34.8992 -20.2369 -20.2369 -6.9983 -6.9983 -5.1748 -5.1748 -4.9181 -4.9181 -0.4834 -0.4834 0.6338 0.6338 3.3241 3.3241 5.2835 5.2835 5.6436 5.6436 5.9409 5.9409 7.6753 7.6753 8.5822 8.5822 9.0659 9.0659 9.3377 9.3377 9.4941 9.4941 k = 0.2205 0.6254 0.4255 ( 6205 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1892 -35.1892 -34.9060 -34.9060 -34.9037 -34.9037 -34.8996 -34.8996 -34.8993 -34.8993 -20.2368 -20.2368 -6.9986 -6.9986 -5.1756 -5.1756 -4.9176 -4.9176 -0.4871 -0.4871 0.6484 0.6484 3.3328 3.3328 5.1720 5.1720 5.6462 5.6462 6.0129 6.0129 7.6488 7.6488 8.4914 8.4914 9.1046 9.1046 9.3406 9.3406 9.4609 9.4609 k = 0.2021 0.6208 0.4309 ( 6199 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1893 -35.1893 -34.9059 -34.9059 -34.9038 -34.9038 -34.8996 -34.8996 -34.8992 -34.8992 -20.2368 -20.2368 -6.9988 -6.9988 -5.1764 -5.1764 -4.9172 -4.9172 -0.4913 -0.4913 0.6625 0.6625 3.3482 3.3482 5.0592 5.0592 5.6491 5.6491 6.0869 6.0869 7.6228 7.6228 8.3965 8.3965 9.1199 9.1199 9.3659 9.3659 9.4253 9.4253 k = 0.1837 0.6162 0.4363 ( 6205 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1894 -35.1894 -34.9058 -34.9058 -34.9039 -34.9039 -34.8996 -34.8996 -34.8993 -34.8993 -20.2367 -20.2367 -6.9990 -6.9990 -5.1771 -5.1771 -4.9167 -4.9167 -0.4957 -0.4957 0.6756 0.6756 3.3706 3.3706 4.9465 4.9465 5.6522 5.6522 6.1616 6.1616 7.5976 7.5976 8.3000 8.3000 9.1149 9.1149 9.3857 9.3857 9.4151 9.4151 k = 0.1653 0.6115 0.4417 ( 6212 PWs) bands (ev): -68.2495 -68.2495 -68.2493 -68.2493 -35.1904 -35.1904 -35.1894 -35.1894 -34.9057 -34.9057 -34.9040 -34.9040 -34.8996 -34.8996 -34.8993 -34.8993 -20.2367 -20.2367 -6.9992 -6.9992 -5.1777 -5.1777 -4.9163 -4.9163 -0.5002 -0.5002 0.6876 0.6876 3.3997 3.3997 4.8348 4.8348 5.6555 5.6555 6.2363 6.2363 7.5738 7.5738 8.2036 8.2036 9.0996 9.0996 9.3519 9.3519 9.4705 9.4705 k = 0.1470 0.6069 0.4471 ( 6210 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1895 -35.1895 -34.9056 -34.9056 -34.9041 -34.9041 -34.8996 -34.8996 -34.8993 -34.8993 -20.2366 -20.2366 -6.9994 -6.9994 -5.1782 -5.1782 -4.9158 -4.9158 -0.5046 -0.5046 0.6985 0.6985 3.4355 3.4355 4.7246 4.7246 5.6587 5.6587 6.3103 6.3103 7.5517 7.5517 8.1087 8.1087 9.0807 9.0807 9.3189 9.3189 9.5306 9.5306 k = 0.1286 0.6023 0.4525 ( 6207 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1895 -35.1895 -34.9055 -34.9055 -34.9042 -34.9042 -34.8996 -34.8996 -34.8993 -34.8993 -20.2366 -20.2366 -6.9995 -6.9995 -5.1787 -5.1787 -4.9154 -4.9154 -0.5087 -0.5087 0.7080 0.7080 3.4779 3.4779 4.6163 4.6163 5.6618 5.6618 6.3829 6.3829 7.5316 7.5316 8.0164 8.0164 9.0616 9.0616 9.2886 9.2886 9.5904 9.5904 k = 0.1102 0.5976 0.4578 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1896 -35.1896 -34.9054 -34.9054 -34.9043 -34.9043 -34.8995 -34.8995 -34.8993 -34.8993 -20.2366 -20.2366 -6.9996 -6.9996 -5.1791 -5.1791 -4.9150 -4.9150 -0.5125 -0.5125 0.7161 0.7161 3.5267 3.5267 4.5104 4.5104 5.6647 5.6647 6.4532 6.4532 7.5138 7.5138 7.9283 7.9283 9.0437 9.0437 9.2616 9.2616 9.6471 9.6471 k = 0.0919 0.5930 0.4632 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1896 -35.1896 -34.9053 -34.9053 -34.9044 -34.9044 -34.8995 -34.8995 -34.8993 -34.8993 -20.2365 -20.2365 -6.9997 -6.9997 -5.1794 -5.1794 -4.9146 -4.9146 -0.5159 -0.5159 0.7229 0.7229 3.5815 3.5815 4.4072 4.4072 5.6674 5.6674 6.5200 6.5200 7.4984 7.4984 7.8458 7.8458 9.0280 9.0280 9.2383 9.2383 9.6989 9.6989 k = 0.0735 0.5884 0.4686 ( 6192 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1897 -35.1897 -34.9052 -34.9052 -34.9045 -34.9045 -34.8995 -34.8995 -34.8994 -34.8994 -20.2365 -20.2365 -6.9997 -6.9997 -5.1797 -5.1797 -4.9143 -4.9143 -0.5187 -0.5187 0.7284 0.7284 3.6422 3.6422 4.3068 4.3068 5.6696 5.6696 6.5815 6.5815 7.4856 7.4856 7.7711 7.7711 9.0147 9.0147 9.2190 9.2190 9.7441 9.7441 k = 0.0551 0.5837 0.4740 ( 6190 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1897 -35.1897 -34.9051 -34.9051 -34.9046 -34.9046 -34.8995 -34.8995 -34.8994 -34.8994 -20.2365 -20.2365 -6.9998 -6.9998 -5.1799 -5.1799 -4.9141 -4.9141 -0.5210 -0.5210 0.7326 0.7326 3.7084 3.7084 4.2098 4.2098 5.6715 5.6715 6.6352 6.6352 7.4756 7.4756 7.7069 7.7069 9.0043 9.0043 9.2038 9.2038 9.7811 9.7811 k = 0.0367 0.5791 0.4794 ( 6191 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1900 -35.1900 -35.1898 -35.1898 -34.9050 -34.9050 -34.9047 -34.9047 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9998 -6.9998 -5.1800 -5.1800 -4.9139 -4.9139 -0.5226 -0.5226 0.7356 0.7356 3.7797 3.7797 4.1166 4.1166 5.6728 5.6728 6.6779 6.6779 7.4683 7.4683 7.6566 7.6566 8.9967 8.9967 9.1928 9.1928 9.8086 9.8086 k = 0.0184 0.5745 0.4848 ( 6199 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1900 -35.1900 -35.1899 -35.1899 -34.9050 -34.9050 -34.9048 -34.9048 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9999 -6.9999 -5.1801 -5.1801 -4.9138 -4.9138 -0.5236 -0.5236 0.7374 0.7374 3.8551 3.8551 4.0280 4.0280 5.6737 5.6737 6.7058 6.7058 7.4640 7.4640 7.6241 7.6241 8.9921 8.9921 9.1862 9.1862 9.8256 9.8256 k = 0.0000 0.5698 0.4902 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9049 -34.9049 -34.9049 -34.9049 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9999 -6.9999 -5.1801 -5.1801 -4.9138 -4.9138 -0.5240 -0.5240 0.7379 0.7379 3.9177 3.9177 3.9610 3.9610 5.6739 5.6739 6.7155 6.7155 7.4625 7.4625 7.6128 7.6128 8.9906 8.9906 9.1840 9.1840 9.8313 9.8313 k = 0.0000 0.5698 0.4902 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9049 -34.9049 -34.9049 -34.9049 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9999 -6.9999 -5.1801 -5.1801 -4.9138 -4.9138 -0.5240 -0.5240 0.7379 0.7379 3.9177 3.9177 3.9610 3.9610 5.6739 5.6739 6.7155 6.7155 7.4625 7.4625 7.6128 7.6128 8.9906 8.9906 9.1840 9.1840 9.8313 9.8313 k = 0.0074 0.5574 0.5046 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9049 -34.9049 -34.9049 -34.9049 -34.8994 -34.8994 -34.8994 -34.8994 -20.2365 -20.2365 -6.9999 -6.9999 -5.1799 -5.1799 -4.9142 -4.9142 -0.5246 -0.5246 0.7390 0.7390 3.9171 3.9171 3.9628 3.9628 5.6733 5.6733 6.7114 6.7114 7.4423 7.4423 7.6184 7.6184 9.0089 9.0089 9.1886 9.1886 9.8354 9.8354 k = 0.0147 0.5450 0.5190 ( 6188 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9049 -34.9049 -34.9049 -34.9049 -34.8994 -34.8994 -34.8994 -34.8994 -20.2364 -20.2364 -7.0000 -7.0000 -5.1793 -5.1793 -4.9153 -4.9153 -0.5263 -0.5263 0.7421 0.7421 3.9155 3.9155 3.9679 3.9679 5.6713 5.6713 6.6994 6.6994 7.3887 7.3887 7.6303 7.6303 9.0615 9.0615 9.2024 9.2024 9.8474 9.8474 k = 0.0221 0.5326 0.5334 ( 6192 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9049 -34.9049 -34.9049 -34.9049 -34.8994 -34.8994 -34.8993 -34.8993 -20.2363 -20.2363 -7.0001 -7.0001 -5.1782 -5.1782 -4.9172 -4.9172 -0.5292 -0.5292 0.7474 0.7474 3.9130 3.9130 3.9762 3.9762 5.6679 5.6679 6.6799 6.6799 7.3120 7.3120 7.6432 7.6432 9.1431 9.1431 9.2252 9.2252 9.8674 9.8674 k = 0.0294 0.5202 0.5478 ( 6198 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9050 -34.9050 -34.9049 -34.9049 -34.8993 -34.8993 -34.8993 -34.8993 -20.2361 -20.2361 -7.0003 -7.0003 -5.1767 -5.1767 -4.9198 -4.9198 -0.5332 -0.5332 0.7546 0.7546 3.9096 3.9096 3.9876 3.9876 5.6631 5.6631 6.6535 6.6535 7.2195 7.2195 7.6562 7.6562 9.2428 9.2428 9.2608 9.2608 9.8949 9.8949 k = 0.0368 0.5078 0.5622 ( 6202 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9050 -34.9050 -34.9050 -34.9050 -34.8993 -34.8993 -34.8993 -34.8993 -20.2360 -20.2360 -7.0005 -7.0005 -5.1749 -5.1749 -4.9231 -4.9231 -0.5383 -0.5383 0.7640 0.7640 3.9057 3.9057 4.0019 4.0019 5.6567 5.6567 6.6211 6.6211 7.1164 7.1164 7.6694 7.6694 9.2913 9.2913 9.3722 9.3722 9.9297 9.9297 k = 0.0441 0.4954 0.5766 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9051 -34.9051 -34.9050 -34.9050 -34.8993 -34.8993 -34.8992 -34.8992 -20.2358 -20.2358 -7.0008 -7.0008 -5.1726 -5.1726 -4.9271 -4.9271 -0.5445 -0.5445 0.7753 0.7753 3.9012 3.9012 4.0190 4.0190 5.6485 5.6485 6.5838 6.5838 7.0065 7.0065 7.6832 7.6832 9.3356 9.3356 9.5069 9.5069 9.9711 9.9711 k = 0.0515 0.4830 0.5911 ( 6206 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9051 -34.9051 -34.9051 -34.9051 -34.8992 -34.8992 -34.8991 -34.8991 -20.2355 -20.2355 -7.0011 -7.0011 -5.1700 -5.1700 -4.9317 -4.9317 -0.5517 -0.5517 0.7886 0.7886 3.8963 3.8963 4.0385 4.0385 5.6383 5.6383 6.5426 6.5426 6.8930 6.8930 7.6978 7.6978 9.3851 9.3851 9.6514 9.6514 10.0187 10.0187 k = 0.0588 0.4706 0.6055 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9052 -34.9052 -34.9052 -34.9052 -34.8991 -34.8991 -34.8991 -34.8991 -20.2352 -20.2352 -7.0015 -7.0015 -5.1670 -5.1670 -4.9368 -4.9368 -0.5598 -0.5598 0.8038 0.8038 3.8913 3.8913 4.0601 4.0601 5.6259 5.6259 6.4986 6.4986 6.7780 6.7780 7.7132 7.7132 9.4391 9.4391 9.8029 9.8029 10.0714 10.0714 k = 0.0662 0.4582 0.6199 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9053 -34.9053 -34.9052 -34.9052 -34.8990 -34.8990 -34.8990 -34.8990 -20.2349 -20.2349 -7.0019 -7.0019 -5.1637 -5.1637 -4.9425 -4.9425 -0.5689 -0.5689 0.8208 0.8208 3.8862 3.8862 4.0835 4.0835 5.6111 5.6111 6.4528 6.4528 6.6632 6.6632 7.7291 7.7291 9.4968 9.4968 9.9591 9.9591 10.1283 10.1283 k = 0.0735 0.4458 0.6343 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9054 -34.9054 -34.9053 -34.9053 -34.8990 -34.8990 -34.8989 -34.8989 -20.2346 -20.2346 -7.0024 -7.0024 -5.1600 -5.1600 -4.9486 -4.9486 -0.5788 -0.5788 0.8397 0.8397 3.8813 3.8813 4.1083 4.1083 5.5936 5.5936 6.4063 6.4063 6.5502 6.5502 7.7452 7.7452 9.5576 9.5576 10.1179 10.1179 10.1886 10.1886 k = 0.0809 0.4334 0.6487 ( 6190 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9055 -34.9055 -34.9054 -34.9054 -34.8989 -34.8989 -34.8988 -34.8988 -20.2342 -20.2342 -7.0030 -7.0030 -5.1561 -5.1561 -4.9551 -4.9551 -0.5895 -0.5895 0.8602 0.8602 3.8767 3.8767 4.1340 4.1340 5.5732 5.5732 6.3599 6.3599 6.4402 6.4402 7.7611 7.7611 9.6207 9.6207 10.2479 10.2479 10.2796 10.2796 k = 0.0882 0.4210 0.6631 ( 6192 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1899 -35.1899 -35.1899 -35.1899 -34.9056 -34.9056 -34.9055 -34.9055 -34.8988 -34.8988 -34.8987 -34.8987 -20.2338 -20.2338 -7.0036 -7.0036 -5.1520 -5.1520 -4.9619 -4.9619 -0.6009 -0.6009 0.8824 0.8824 3.8727 3.8727 4.1598 4.1598 5.5497 5.5497 6.3143 6.3143 6.3346 6.3346 7.7762 7.7762 9.6856 9.6856 10.3107 10.3107 10.4334 10.4334 k = 0.0956 0.4086 0.6776 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1900 -35.1900 -35.1899 -35.1899 -34.9056 -34.9056 -34.9056 -34.9056 -34.8987 -34.8987 -34.8986 -34.8986 -20.2334 -20.2334 -7.0042 -7.0042 -5.1476 -5.1476 -4.9690 -4.9690 -0.6129 -0.6129 0.9061 0.9061 3.8693 3.8693 4.1852 4.1852 5.5228 5.5228 6.2328 6.2328 6.2718 6.2718 7.7901 7.7901 9.7519 9.7519 10.3713 10.3713 10.5648 10.5648 k = 0.1029 0.3962 0.6920 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1900 -35.1900 -35.1900 -35.1900 -34.9057 -34.9057 -34.9057 -34.9057 -34.8986 -34.8986 -34.8985 -34.8985 -20.2330 -20.2330 -7.0049 -7.0049 -5.1430 -5.1430 -4.9763 -4.9763 -0.6254 -0.6254 0.9312 0.9312 3.8667 3.8667 4.2093 4.2093 5.4926 5.4926 6.1383 6.1383 6.2306 6.2306 7.8019 7.8019 9.8190 9.8190 10.4289 10.4289 10.6065 10.6065 k = 0.1103 0.3838 0.7064 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1900 -35.1900 -35.1900 -35.1900 -34.9058 -34.9058 -34.9057 -34.9057 -34.8985 -34.8985 -34.8984 -34.8984 -20.2326 -20.2326 -7.0056 -7.0056 -5.1383 -5.1383 -4.9837 -4.9837 -0.6383 -0.6383 0.9575 0.9575 3.8651 3.8651 4.2311 4.2311 5.4591 5.4591 6.0509 6.0509 6.1923 6.1923 7.8110 7.8110 9.8865 9.8865 10.4822 10.4822 10.5645 10.5645 k = 0.1176 0.3714 0.7208 ( 6192 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1900 -35.1900 -35.1900 -35.1900 -34.9059 -34.9059 -34.9058 -34.9058 -34.8984 -34.8984 -34.8984 -34.8984 -20.2321 -20.2321 -7.0064 -7.0064 -5.1335 -5.1335 -4.9911 -4.9911 -0.6515 -0.6515 0.9850 0.9850 3.8645 3.8645 4.2497 4.2497 5.4225 5.4225 5.9718 5.9718 6.1571 6.1571 7.8167 7.8167 9.9540 9.9540 10.5048 10.5048 10.5336 10.5336 k = 0.1250 0.3590 0.7352 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1900 -35.1900 -35.1900 -35.1900 -34.9060 -34.9060 -34.9059 -34.9059 -34.8984 -34.8984 -34.8983 -34.8983 -20.2317 -20.2317 -7.0072 -7.0072 -5.1287 -5.1287 -4.9985 -4.9985 -0.6649 -0.6649 1.0134 1.0134 3.8651 3.8651 4.2641 4.2641 5.3831 5.3831 5.9023 5.9023 6.1251 6.1251 7.8183 7.8183 10.0211 10.0211 10.4533 10.4533 10.5752 10.5752 k = 0.1324 0.3466 0.7496 ( 6188 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9061 -34.9061 -34.9060 -34.9060 -34.8983 -34.8983 -34.8982 -34.8982 -20.2312 -20.2312 -7.0080 -7.0080 -5.1238 -5.1238 -5.0058 -5.0058 -0.6783 -0.6783 1.0427 1.0427 3.8670 3.8670 4.2732 4.2732 5.3413 5.3413 5.8432 5.8432 6.0961 6.0961 7.8151 7.8151 10.0875 10.0875 10.4088 10.4088 10.6124 10.6124 k = 0.1397 0.3342 0.7641 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9062 -34.9062 -34.9061 -34.9061 -34.8982 -34.8982 -34.8981 -34.8981 -20.2308 -20.2308 -7.0088 -7.0088 -5.1189 -5.1189 -5.0130 -5.0130 -0.6917 -0.6917 1.0725 1.0725 3.8700 3.8700 4.2763 4.2763 5.2977 5.2977 5.7954 5.7954 6.0702 6.0702 7.8066 7.8066 10.1526 10.1526 10.3746 10.3746 10.6443 10.6443 k = 0.1471 0.3218 0.7785 ( 6182 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9062 -34.9062 -34.9062 -34.9062 -34.8981 -34.8981 -34.8980 -34.8980 -20.2303 -20.2303 -7.0097 -7.0097 -5.1141 -5.1141 -5.0199 -5.0199 -0.7050 -0.7050 1.1027 1.1027 3.8743 3.8743 4.2728 4.2728 5.2528 5.2528 5.7593 5.7593 6.0471 6.0471 7.7926 7.7926 10.2161 10.2161 10.3516 10.3516 10.6714 10.6714 k = 0.1544 0.3094 0.7929 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9063 -34.9063 -34.9062 -34.9062 -34.8980 -34.8980 -34.8979 -34.8979 -20.2299 -20.2299 -7.0105 -7.0105 -5.1094 -5.1094 -5.0266 -5.0266 -0.7180 -0.7180 1.1330 1.1330 3.8798 3.8798 4.2627 4.2627 5.2072 5.2072 5.7350 5.7350 6.0265 6.0265 7.7730 7.7730 10.2771 10.2771 10.3405 10.3405 10.6943 10.6943 k = 0.1618 0.2970 0.8073 ( 6190 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9064 -34.9064 -34.9063 -34.9063 -34.8979 -34.8979 -34.8979 -34.8979 -20.2295 -20.2295 -7.0114 -7.0114 -5.1049 -5.1049 -5.0330 -5.0330 -0.7306 -0.7306 1.1631 1.1631 3.8864 3.8864 4.2464 4.2464 5.1616 5.1616 5.7219 5.7219 6.0083 6.0083 7.7481 7.7481 10.3291 10.3291 10.3476 10.3476 10.7137 10.7137 k = 0.1691 0.2846 0.8217 ( 6188 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9065 -34.9065 -34.9064 -34.9064 -34.8979 -34.8979 -34.8978 -34.8978 -20.2291 -20.2291 -7.0122 -7.0122 -5.1006 -5.1006 -5.0389 -5.0389 -0.7427 -0.7427 1.1929 1.1929 3.8941 3.8941 4.2246 4.2246 5.1165 5.1165 5.7190 5.7190 5.9924 5.9924 7.7183 7.7183 10.3473 10.3473 10.3966 10.3966 10.7305 10.7305 k = 0.1765 0.2722 0.8361 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9065 -34.9065 -34.9065 -34.9065 -34.8978 -34.8978 -34.8977 -34.8977 -20.2288 -20.2288 -7.0130 -7.0130 -5.0966 -5.0966 -5.0445 -5.0445 -0.7542 -0.7542 1.2218 1.2218 3.9026 3.9026 4.1986 4.1986 5.0725 5.0725 5.7249 5.7249 5.9786 5.9786 7.6845 7.6845 10.3686 10.3686 10.4496 10.4496 10.7452 10.7452 k = 0.1838 0.2598 0.8506 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9066 -34.9066 -34.9065 -34.9065 -34.8977 -34.8977 -34.8977 -34.8977 -20.2284 -20.2284 -7.0137 -7.0137 -5.0930 -5.0930 -5.0495 -5.0495 -0.7649 -0.7649 1.2496 1.2496 3.9117 3.9117 4.1699 4.1699 5.0302 5.0302 5.7378 5.7378 5.9668 5.9668 7.6475 7.6475 10.3984 10.3984 10.4996 10.4996 10.7584 10.7584 k = 0.1912 0.2474 0.8650 ( 6192 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9067 -34.9067 -34.9066 -34.9066 -34.8977 -34.8977 -34.8976 -34.8976 -20.2281 -20.2281 -7.0144 -7.0144 -5.0897 -5.0897 -5.0539 -5.0539 -0.7748 -0.7748 1.2759 1.2759 3.9211 3.9211 4.1398 4.1398 4.9902 4.9902 5.7558 5.7558 5.9571 5.9571 7.6087 7.6087 10.4356 10.4356 10.5461 10.5461 10.7703 10.7703 k = 0.1985 0.2350 0.8794 ( 6188 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9067 -34.9067 -34.9066 -34.9066 -34.8976 -34.8976 -34.8976 -34.8976 -20.2278 -20.2278 -7.0151 -7.0151 -5.0869 -5.0869 -5.0577 -5.0577 -0.7838 -0.7838 1.3004 1.3004 3.9304 3.9304 4.1100 4.1100 4.9529 4.9529 5.7768 5.7768 5.9496 5.9496 7.5692 7.5692 10.4785 10.4785 10.5885 10.5885 10.7813 10.7813 k = 0.2059 0.2226 0.8938 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9067 -34.9067 -34.9067 -34.9067 -34.8976 -34.8976 -34.8975 -34.8975 -20.2276 -20.2276 -7.0157 -7.0157 -5.0847 -5.0847 -5.0607 -5.0607 -0.7918 -0.7918 1.3226 1.3226 3.9391 3.9391 4.0820 4.0820 4.9190 4.9190 5.7986 5.7986 5.9446 5.9446 7.5305 7.5305 10.5250 10.5250 10.6267 10.6267 10.7915 10.7915 k = 0.2132 0.2102 0.9082 ( 6184 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8976 -34.8976 -34.8975 -34.8975 -20.2274 -20.2274 -7.0162 -7.0162 -5.0832 -5.0832 -5.0630 -5.0630 -0.7987 -0.7987 1.3422 1.3422 3.9466 3.9466 4.0571 4.0571 4.8890 4.8890 5.8191 5.8191 5.9425 5.9425 7.4942 7.4942 10.5720 10.5720 10.6609 10.6609 10.8011 10.8011 k = 0.2206 0.1978 0.9226 ( 6184 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8975 -34.8975 -34.8974 -34.8974 -20.2272 -20.2272 -7.0166 -7.0166 -5.0824 -5.0824 -5.0644 -5.0644 -0.8044 -0.8044 1.3589 1.3589 3.9519 3.9519 4.0370 4.0370 4.8634 4.8634 5.8361 5.8361 5.9435 5.9435 7.4617 7.4617 10.6159 10.6159 10.6914 10.6914 10.8101 10.8101 k = 0.2279 0.1854 0.9371 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2270 -20.2270 -7.0169 -7.0169 -5.0821 -5.0821 -5.0651 -5.0651 -0.8089 -0.8089 1.3722 1.3722 3.9543 3.9543 4.0228 4.0228 4.8429 4.8429 5.8484 5.8484 5.9473 5.9473 7.4345 7.4345 10.6520 10.6520 10.7189 10.7189 10.8186 10.8186 k = 0.2353 0.1730 0.9515 ( 6188 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0172 -7.0172 -5.0821 -5.0821 -5.0654 -5.0654 -0.8122 -0.8122 1.3819 1.3819 3.9539 3.9539 4.0146 4.0146 4.8278 4.8278 5.8560 5.8560 5.9524 5.9524 7.4139 7.4139 10.6772 10.6772 10.7424 10.7424 10.8263 10.8263 k = 0.2426 0.1606 0.9659 ( 6176 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0173 -7.0173 -5.0823 -5.0823 -5.0655 -5.0655 -0.8141 -0.8141 1.3878 1.3878 3.9522 3.9522 4.0111 4.0111 4.8186 4.8186 5.8599 5.8599 5.9566 5.9566 7.4011 7.4011 10.6914 10.6914 10.7585 10.7585 10.8323 10.8323 k = 0.2500 0.1482 0.9803 ( 6176 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0823 -5.0823 -5.0655 -5.0655 -0.8148 -0.8148 1.3898 1.3898 3.9514 3.9514 4.0102 4.0102 4.8155 4.8155 5.8610 5.8610 5.9582 5.9582 7.3968 7.3968 10.6959 10.6959 10.7641 10.7641 10.8347 10.8347 k = 0.2500 0.1482 0.9803 ( 6176 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0823 -5.0823 -5.0655 -5.0655 -0.8148 -0.8148 1.3898 1.3898 3.9514 3.9514 4.0102 4.0102 4.8155 4.8155 5.8610 5.8610 5.9582 5.9582 7.3968 7.3968 10.6959 10.6959 10.7641 10.7641 10.8347 10.8347 k = 0.2647 0.1570 0.9702 ( 6182 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0823 -5.0823 -5.0655 -5.0655 -0.8147 -0.8147 1.3897 1.3897 3.9503 3.9503 4.0119 4.0119 4.8139 4.8139 5.8590 5.8590 5.9598 5.9598 7.4039 7.4039 10.6347 10.6347 10.7755 10.7755 10.8679 10.8679 k = 0.2794 0.1657 0.9600 ( 6186 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0173 -7.0173 -5.0823 -5.0823 -5.0655 -5.0655 -0.8144 -0.8144 1.3891 1.3891 3.9480 3.9480 4.0165 4.0165 4.8090 4.8090 5.8531 5.8531 5.9646 5.9646 7.4249 7.4249 10.5463 10.5463 10.7334 10.7334 10.9505 10.9505 k = 0.2941 0.1744 0.9499 ( 6184 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0173 -7.0173 -5.0822 -5.0822 -5.0655 -5.0655 -0.8138 -0.8138 1.3879 1.3879 3.9460 3.9460 4.0234 4.0234 4.8005 4.8005 5.8435 5.8435 5.9724 5.9724 7.4590 7.4590 10.4580 10.4580 10.6582 10.6582 11.0398 11.0398 k = 0.3088 0.1831 0.9398 ( 6183 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2269 -20.2269 -7.0172 -7.0172 -5.0821 -5.0821 -5.0655 -5.0655 -0.8129 -0.8129 1.3857 1.3857 3.9457 3.9457 4.0316 4.0316 4.7888 4.7888 5.8309 5.8309 5.9826 5.9826 7.5051 7.5051 10.3725 10.3725 10.5618 10.5618 11.1282 11.1282 k = 0.3235 0.1918 0.9296 ( 6190 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2270 -20.2270 -7.0171 -7.0171 -5.0819 -5.0819 -5.0655 -5.0655 -0.8116 -0.8116 1.3823 1.3823 3.9483 3.9483 4.0407 4.0407 4.7741 4.7741 5.8160 5.8160 5.9947 5.9947 7.5618 7.5618 10.2902 10.2902 10.4512 10.4512 11.2141 11.2141 k = 0.3382 0.2006 0.9195 ( 6186 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2270 -20.2270 -7.0170 -7.0170 -5.0817 -5.0817 -5.0656 -5.0656 -0.8100 -0.8100 1.3776 1.3776 3.9543 3.9543 4.0503 4.0503 4.7571 4.7571 5.7996 5.7996 6.0081 6.0081 7.6277 7.6277 10.2105 10.2105 10.3327 10.3327 11.2970 11.2970 k = 0.3529 0.2093 0.9093 ( 6189 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2271 -20.2271 -7.0168 -7.0168 -5.0815 -5.0815 -5.0657 -5.0657 -0.8078 -0.8078 1.3712 1.3712 3.9644 3.9644 4.0602 4.0602 4.7383 4.7383 5.7821 5.7821 6.0225 6.0225 7.7015 7.7015 10.1291 10.1291 10.2145 10.2145 11.3766 11.3766 k = 0.3676 0.2180 0.8992 ( 6193 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8976 -34.8976 -34.8974 -34.8974 -20.2272 -20.2272 -7.0167 -7.0167 -5.0811 -5.0811 -5.0659 -5.0659 -0.8052 -0.8052 1.3630 1.3630 3.9788 3.9788 4.0703 4.0703 4.7184 4.7184 5.7639 5.7639 6.0376 6.0376 7.7818 7.7818 10.0316 10.0316 10.1141 10.1141 11.4531 11.4531 k = 0.3824 0.2267 0.8891 ( 6190 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8976 -34.8976 -34.8974 -34.8974 -20.2273 -20.2273 -7.0165 -7.0165 -5.0807 -5.0807 -5.0661 -5.0661 -0.8020 -0.8020 1.3530 1.3530 3.9978 3.9978 4.0803 4.0803 4.6982 4.6982 5.7451 5.7451 6.0531 6.0531 7.8670 7.8670 9.9115 9.9115 10.0405 10.0405 11.5266 11.5266 k = 0.3971 0.2354 0.8789 ( 6197 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9068 -34.9068 -34.9067 -34.9067 -34.8976 -34.8976 -34.8975 -34.8975 -20.2273 -20.2273 -7.0163 -7.0163 -5.0803 -5.0803 -5.0664 -5.0664 -0.7983 -0.7983 1.3410 1.3410 4.0211 4.0211 4.0905 4.0905 4.6782 4.6782 5.7260 5.7260 6.0687 6.0687 7.9558 7.9558 9.7833 9.7833 9.9814 9.9814 11.5971 11.5971 k = 0.4118 0.2442 0.8688 ( 6203 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1900 -35.1900 -34.9069 -34.9069 -34.9066 -34.9066 -34.8977 -34.8977 -34.8975 -34.8975 -20.2274 -20.2274 -7.0160 -7.0160 -5.0797 -5.0797 -5.0667 -5.0667 -0.7941 -0.7941 1.3271 1.3271 4.0485 4.0485 4.1010 4.1010 4.6591 4.6591 5.7067 5.7067 6.0843 6.0843 8.0464 8.0464 9.6550 9.6550 9.9312 9.9312 11.6647 11.6647 k = 0.4265 0.2529 0.8586 ( 6206 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1900 -35.1900 -34.9069 -34.9069 -34.9066 -34.9066 -34.8977 -34.8977 -34.8975 -34.8975 -20.2276 -20.2276 -7.0158 -7.0158 -5.0790 -5.0790 -5.0672 -5.0672 -0.7894 -0.7894 1.3114 1.3114 4.0782 4.0782 4.1131 4.1131 4.6415 4.6415 5.6873 5.6873 6.0996 6.0996 8.1369 8.1369 9.5304 9.5304 9.8884 9.8884 11.7290 11.7290 k = 0.4412 0.2616 0.8485 ( 6207 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9065 -34.9065 -34.8977 -34.8977 -34.8975 -34.8975 -20.2277 -20.2277 -7.0155 -7.0155 -5.0783 -5.0783 -5.0676 -5.0676 -0.7841 -0.7841 1.2939 1.2939 4.1038 4.1038 4.1332 4.1332 4.6259 4.6259 5.6678 5.6678 6.1144 6.1144 8.2243 8.2243 9.4130 9.4130 9.8527 9.8527 11.7890 11.7890 k = 0.4559 0.2703 0.8384 ( 6205 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9065 -34.9065 -34.8977 -34.8977 -34.8975 -34.8975 -20.2278 -20.2278 -7.0152 -7.0152 -5.0775 -5.0775 -5.0681 -5.0681 -0.7783 -0.7783 1.2748 1.2748 4.1184 4.1184 4.1674 4.1674 4.6128 4.6128 5.6486 5.6486 6.1284 6.1284 8.3045 8.3045 9.3072 9.3072 9.8241 9.8241 11.8429 11.8429 k = 0.4706 0.2790 0.8282 ( 6196 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1902 -35.1902 -35.1899 -35.1899 -34.9069 -34.9069 -34.9064 -34.9064 -34.8978 -34.8978 -34.8975 -34.8975 -20.2280 -20.2280 -7.0149 -7.0149 -5.0767 -5.0767 -5.0686 -5.0686 -0.7722 -0.7722 1.2544 1.2544 4.1284 4.1284 4.2087 4.2087 4.6027 4.6027 5.6297 5.6297 6.1415 6.1415 8.3706 8.3706 9.2201 9.2201 9.8028 9.8028 11.8876 11.8876 k = 0.4853 0.2878 0.8181 ( 6202 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9069 -34.9069 -34.9064 -34.9064 -34.8978 -34.8978 -34.8975 -34.8975 -20.2281 -20.2281 -7.0146 -7.0146 -5.0759 -5.0759 -5.0690 -5.0690 -0.7656 -0.7656 1.2328 1.2328 4.1369 4.1369 4.2528 4.2528 4.5962 4.5962 5.6117 5.6117 6.1533 6.1533 8.4129 8.4129 9.1616 9.1616 9.7889 9.7889 11.9192 11.9192 k = 0.5000 0.2965 0.8080 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9069 -34.9069 -34.9063 -34.9063 -34.8978 -34.8978 -34.8975 -34.8975 -20.2283 -20.2283 -7.0142 -7.0142 -5.0753 -5.0753 -5.0692 -5.0692 -0.7588 -0.7588 1.2104 1.2104 4.1447 4.1447 4.2977 4.2977 4.5940 4.5940 5.5949 5.5949 6.1639 6.1639 8.4213 8.4213 9.1419 9.1419 9.7825 9.7825 11.9336 11.9336 k = 0.5000 0.2965 0.8080 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1898 -35.1898 -34.9069 -34.9069 -34.9063 -34.9063 -34.8978 -34.8978 -34.8975 -34.8975 -20.2283 -20.2283 -7.0142 -7.0142 -5.0753 -5.0753 -5.0692 -5.0692 -0.7588 -0.7588 1.2104 1.2104 4.1447 4.1447 4.2977 4.2977 4.5940 4.5940 5.5949 5.5949 6.1639 6.1639 8.4213 8.4213 9.1419 9.1419 9.7825 9.7825 11.9336 11.9336 k = 0.5000 0.2965 0.7878 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1903 -35.1903 -35.1897 -35.1897 -34.9070 -34.9070 -34.9061 -34.9061 -34.8979 -34.8979 -34.8975 -34.8975 -20.2286 -20.2286 -7.0134 -7.0134 -5.0748 -5.0748 -5.0687 -5.0687 -0.7446 -0.7446 1.1642 1.1642 4.1605 4.1605 4.3901 4.3901 4.5936 4.5936 5.5642 5.5642 6.1845 6.1845 8.4005 8.4005 9.1422 9.1422 9.7772 9.7772 11.9472 11.9472 k = 0.5000 0.2965 0.7676 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1904 -35.1904 -35.1897 -35.1897 -34.9070 -34.9070 -34.9060 -34.9060 -34.8980 -34.8980 -34.8975 -34.8975 -20.2290 -20.2290 -7.0125 -7.0125 -5.0753 -5.0753 -5.0668 -5.0668 -0.7297 -0.7297 1.1164 1.1164 4.1780 4.1780 4.4887 4.4887 4.5915 4.5915 5.5362 5.5362 6.2073 6.2073 8.3793 8.3793 9.1373 9.1373 9.7719 9.7719 11.9654 11.9654 k = 0.5000 0.2965 0.7474 ( 6202 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1905 -35.1905 -35.1896 -35.1896 -34.9070 -34.9070 -34.9059 -34.9059 -34.8981 -34.8981 -34.8976 -34.8976 -20.2294 -20.2294 -7.0115 -7.0115 -5.0764 -5.0764 -5.0642 -5.0642 -0.7144 -0.7144 1.0676 1.0676 4.1972 4.1972 4.5868 4.5868 4.5935 4.5935 5.5123 5.5123 6.2323 6.2323 8.3582 8.3582 9.1268 9.1268 9.7665 9.7665 11.8918 11.8918 k = 0.5000 0.2965 0.7272 ( 6200 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1905 -35.1905 -35.1895 -35.1895 -34.9071 -34.9071 -34.9057 -34.9057 -34.8982 -34.8982 -34.8976 -34.8976 -20.2298 -20.2298 -7.0105 -7.0105 -5.0778 -5.0778 -5.0611 -5.0611 -0.6989 -0.6989 1.0182 1.0182 4.2181 4.2181 4.5804 4.5804 4.7025 4.7025 5.4935 5.4935 6.2596 6.2596 8.3378 8.3378 9.1106 9.1106 9.7613 9.7613 11.7604 11.7604 k = 0.5000 0.2965 0.7070 ( 6200 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1906 -35.1906 -35.1894 -35.1894 -34.9071 -34.9071 -34.9055 -34.9055 -34.8983 -34.8983 -34.8976 -34.8976 -20.2303 -20.2303 -7.0093 -7.0093 -5.0792 -5.0792 -5.0576 -5.0576 -0.6836 -0.6836 0.9687 0.9687 4.2408 4.2408 4.5713 4.5713 4.8161 4.8161 5.4808 5.4808 6.2889 6.2889 8.3184 8.3184 9.0891 9.0891 9.7560 9.7560 11.6168 11.6168 k = 0.5000 0.2965 0.6868 ( 6198 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1907 -35.1907 -35.1893 -35.1893 -34.9072 -34.9072 -34.9053 -34.9053 -34.8985 -34.8985 -34.8976 -34.8976 -20.2308 -20.2308 -7.0080 -7.0080 -5.0806 -5.0806 -5.0537 -5.0537 -0.6688 -0.6688 0.9193 0.9193 4.2651 4.2651 4.5600 4.5600 4.9336 4.9336 5.4745 5.4745 6.3204 6.3204 8.3006 8.3006 9.0628 9.0628 9.7507 9.7507 11.4674 11.4674 k = 0.5000 0.2965 0.6666 ( 6208 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1908 -35.1908 -35.1892 -35.1892 -34.9073 -34.9073 -34.9051 -34.9051 -34.8986 -34.8986 -34.8977 -34.8977 -20.2313 -20.2313 -7.0067 -7.0067 -5.0820 -5.0820 -5.0495 -5.0495 -0.6547 -0.6547 0.8705 0.8705 4.2912 4.2912 4.5470 4.5470 5.0543 5.0543 5.4749 5.4749 6.3540 6.3540 8.2849 8.2849 9.0323 9.0323 9.7450 9.7450 11.3151 11.3151 k = 0.5000 0.2965 0.6464 ( 6206 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1909 -35.1909 -35.1891 -35.1891 -34.9073 -34.9073 -34.9048 -34.9048 -34.8987 -34.8987 -34.8977 -34.8977 -20.2318 -20.2318 -7.0052 -7.0052 -5.0834 -5.0834 -5.0450 -5.0450 -0.6416 -0.6416 0.8225 0.8225 4.3190 4.3190 4.5330 4.5330 5.1776 5.1776 5.4818 5.4818 6.3897 6.3897 8.2717 8.2717 8.9984 8.9984 9.7387 9.7387 11.1622 11.1622 k = 0.5000 0.2965 0.6262 ( 6220 PWs) bands (ev): -68.2495 -68.2495 -68.2492 -68.2492 -35.1910 -35.1910 -35.1891 -35.1891 -34.9074 -34.9074 -34.9047 -34.9047 -34.8988 -34.8988 -34.8978 -34.8978 -20.2324 -20.2324 -7.0036 -7.0036 -5.0847 -5.0847 -5.0401 -5.0401 -0.6300 -0.6300 0.7754 0.7754 4.3484 4.3484 4.5190 4.5190 5.3029 5.3029 5.4951 5.4951 6.4273 6.4273 8.2616 8.2616 8.9620 8.9620 9.7309 9.7309 11.0107 11.0107 k = 0.5000 0.2965 0.6060 ( 6206 PWs) bands (ev): -68.2496 -68.2496 -68.2492 -68.2492 -35.1911 -35.1911 -35.1889 -35.1889 -34.9075 -34.9075 -34.9044 -34.9044 -34.8989 -34.8989 -34.8978 -34.8978 -20.2330 -20.2330 -7.0020 -7.0020 -5.0860 -5.0860 -5.0349 -5.0349 -0.6199 -0.6199 0.7295 0.7295 4.3793 4.3793 4.5060 4.5060 5.4292 5.4292 5.5146 5.5146 6.4670 6.4670 8.2552 8.2552 8.9238 8.9238 9.7206 9.7206 10.8628 10.8628 k = 0.5000 0.2965 0.5858 ( 6184 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1911 -35.1911 -35.1888 -35.1888 -34.9076 -34.9076 -34.9042 -34.9042 -34.8990 -34.8990 -34.8978 -34.8978 -20.2335 -20.2335 -7.0003 -7.0003 -5.0871 -5.0871 -5.0294 -5.0294 -0.6117 -0.6117 0.6848 0.6848 4.4113 4.4113 4.4954 4.4954 5.5324 5.5324 5.5631 5.5631 6.5086 6.5086 8.2530 8.2530 8.8845 8.8845 9.7060 9.7060 10.7210 10.7210 k = 0.5000 0.2965 0.5656 ( 6174 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1912 -35.1912 -35.1887 -35.1887 -34.9076 -34.9076 -34.9039 -34.9039 -34.8991 -34.8991 -34.8978 -34.8978 -20.2341 -20.2341 -6.9985 -6.9985 -5.0882 -5.0882 -5.0236 -5.0236 -0.6056 -0.6056 0.6416 0.6416 4.4427 4.4427 4.4899 4.4899 5.5643 5.5643 5.6877 5.6877 6.5520 6.5520 8.2557 8.2557 8.8448 8.8448 9.6844 9.6844 10.5886 10.5886 k = 0.5000 0.2965 0.5454 ( 6174 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1913 -35.1913 -35.1886 -35.1886 -34.9077 -34.9077 -34.9037 -34.9037 -34.8992 -34.8992 -34.8978 -34.8978 -20.2348 -20.2348 -6.9966 -6.9966 -5.0891 -5.0891 -5.0174 -5.0174 -0.6019 -0.6019 0.5998 0.5998 4.4640 4.4640 4.4995 4.4995 5.5968 5.5968 5.8151 5.8151 6.5972 6.5972 8.2638 8.2638 8.8053 8.8053 9.6522 9.6522 10.4700 10.4700 k = 0.5000 0.2965 0.5252 ( 6170 PWs) bands (ev): -68.2496 -68.2496 -68.2491 -68.2491 -35.1914 -35.1914 -35.1885 -35.1885 -34.9078 -34.9078 -34.9034 -34.9034 -34.8993 -34.8993 -34.8979 -34.8979 -20.2354 -20.2354 -6.9947 -6.9947 -5.0900 -5.0900 -5.0109 -5.0109 -0.6005 -0.6005 0.5596 0.5596 4.4698 4.4698 4.5306 4.5306 5.6323 5.6323 5.9415 5.9415 6.6441 6.6441 8.2781 8.2781 8.7666 8.7666 9.6047 9.6047 10.3701 10.3701 k = 0.5000 0.2965 0.5050 ( 6168 PWs) bands (ev): -68.2496 -68.2496 -68.2490 -68.2490 -35.1915 -35.1915 -35.1884 -35.1884 -34.9079 -34.9079 -34.9032 -34.9032 -34.8994 -34.8994 -34.8979 -34.8979 -20.2360 -20.2360 -6.9927 -6.9927 -5.0907 -5.0907 -5.0042 -5.0042 -0.6017 -0.6017 0.5210 0.5210 4.4748 4.4748 4.5689 4.5689 5.6703 5.6703 6.0660 6.0660 6.6927 6.6927 8.2992 8.2992 8.7291 8.7291 9.5383 9.5383 10.2931 10.2931 k = 0.5000 0.2965 0.4848 ( 6176 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1916 -35.1916 -35.1883 -35.1883 -34.9080 -34.9080 -34.9029 -34.9029 -34.8995 -34.8995 -34.8980 -34.8980 -20.2366 -20.2366 -6.9906 -6.9906 -5.0913 -5.0913 -4.9972 -4.9972 -0.6055 -0.6055 0.4840 0.4840 4.4837 4.4837 4.6102 4.6102 5.7103 5.7103 6.1876 6.1876 6.7428 6.7428 8.3278 8.3278 8.6932 8.6932 9.4520 9.4520 10.2402 10.2402 k = 0.5000 0.2965 0.4646 ( 6186 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1917 -35.1917 -35.1881 -35.1881 -34.9082 -34.9082 -34.9027 -34.9027 -34.8996 -34.8996 -34.8980 -34.8980 -20.2373 -20.2373 -6.9885 -6.9885 -5.0918 -5.0918 -4.9899 -4.9899 -0.6119 -0.6119 0.4487 0.4487 4.4977 4.4977 4.6537 4.6537 5.7517 5.7517 6.3055 6.3055 6.7944 6.7944 8.3645 8.3645 8.6592 8.6592 9.3483 9.3483 10.2091 10.2091 k = 0.5000 0.2965 0.4444 ( 6194 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1918 -35.1918 -35.1880 -35.1880 -34.9083 -34.9083 -34.9024 -34.9024 -34.8997 -34.8997 -34.8980 -34.8980 -20.2379 -20.2379 -6.9864 -6.9864 -5.0921 -5.0921 -4.9824 -4.9824 -0.6209 -0.6209 0.4151 0.4151 4.5171 4.5171 4.6991 4.6991 5.7940 5.7940 6.4188 6.4188 6.8473 6.8473 8.4095 8.4095 8.6272 8.6272 9.2317 9.2317 10.1957 10.1957 k = 0.5000 0.2965 0.4242 ( 6206 PWs) bands (ev): -68.2497 -68.2497 -68.2490 -68.2490 -35.1919 -35.1919 -35.1879 -35.1879 -34.9085 -34.9085 -34.9022 -34.9022 -34.8998 -34.8998 -34.8981 -34.8981 -20.2385 -20.2385 -6.9843 -6.9843 -5.0924 -5.0924 -4.9746 -4.9746 -0.6322 -0.6322 0.3832 0.3832 4.5423 4.5423 4.7464 4.7464 5.8367 5.8367 6.5268 6.5268 6.9014 6.9014 8.4629 8.4629 8.5977 8.5977 9.1065 9.1065 10.1956 10.1956 k = 0.5000 0.2965 0.4040 ( 6206 PWs) bands (ev): -68.2498 -68.2498 -68.2490 -68.2490 -35.1920 -35.1920 -35.1878 -35.1878 -34.9086 -34.9086 -34.9019 -34.9019 -34.8999 -34.8999 -34.8981 -34.8981 -20.2392 -20.2392 -6.9821 -6.9821 -5.0925 -5.0925 -4.9667 -4.9667 -0.6458 -0.6458 0.3530 0.3530 4.5733 4.5733 4.7955 4.7955 5.8792 5.8792 6.6289 6.6289 6.9565 6.9565 8.5210 8.5210 8.5738 8.5738 8.9762 8.9762 10.2054 10.2054 k = 0.5000 0.2965 0.3838 ( 6210 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1922 -35.1922 -35.1877 -35.1877 -34.9087 -34.9087 -34.9017 -34.9017 -34.8999 -34.8999 -34.8981 -34.8981 -20.2398 -20.2398 -6.9800 -6.9800 -5.0925 -5.0925 -4.9586 -4.9586 -0.6615 -0.6615 0.3244 0.3244 4.6099 4.6099 4.8463 4.8463 5.9208 5.9208 6.7247 6.7247 7.0126 7.0126 8.5341 8.5341 8.6038 8.6038 8.8434 8.8434 10.2220 10.2220 k = 0.5000 0.2965 0.3636 ( 6206 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1922 -35.1922 -35.1876 -35.1876 -34.9089 -34.9089 -34.9015 -34.9015 -34.9000 -34.9000 -34.8982 -34.8982 -20.2404 -20.2404 -6.9778 -6.9778 -5.0925 -5.0925 -4.9505 -4.9505 -0.6790 -0.6790 0.2976 0.2976 4.6522 4.6522 4.8989 4.8989 5.9611 5.9611 6.8141 6.8141 7.0693 7.0693 8.5104 8.5104 8.6758 8.6758 8.7110 8.7110 10.1782 10.1782 k = 0.5000 0.2965 0.3434 ( 6190 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1923 -35.1923 -35.1875 -35.1875 -34.9090 -34.9090 -34.9012 -34.9012 -34.9000 -34.9000 -34.8982 -34.8982 -20.2409 -20.2409 -6.9757 -6.9757 -5.0923 -5.0923 -4.9423 -4.9423 -0.6981 -0.6981 0.2723 0.2723 4.6999 4.6999 4.9532 4.9532 5.9996 5.9996 6.8974 6.8974 7.1266 7.1266 8.4840 8.4840 8.5760 8.5760 8.7563 8.7563 10.0849 10.0849 k = 0.5000 0.2965 0.3232 ( 6202 PWs) bands (ev): -68.2498 -68.2498 -68.2489 -68.2489 -35.1924 -35.1924 -35.1874 -35.1874 -34.9091 -34.9091 -34.9010 -34.9010 -34.9001 -34.9001 -34.8982 -34.8982 -20.2415 -20.2415 -6.9736 -6.9736 -5.0921 -5.0921 -4.9340 -4.9340 -0.7184 -0.7184 0.2487 0.2487 4.7526 4.7526 5.0091 5.0091 6.0356 6.0356 6.9748 6.9748 7.1841 7.1841 8.4375 8.4375 8.4626 8.4626 8.8329 8.8329 10.0071 10.0071 k = 0.5000 0.2965 0.3030 ( 6204 PWs) bands (ev): -68.2499 -68.2499 -68.2489 -68.2489 -35.1925 -35.1925 -35.1873 -35.1873 -34.9093 -34.9093 -34.9008 -34.9008 -34.9001 -34.9001 -34.8983 -34.8983 -20.2420 -20.2420 -6.9716 -6.9716 -5.0919 -5.0919 -4.9258 -4.9258 -0.7397 -0.7397 0.2267 0.2267 4.8102 4.8102 5.0666 5.0666 6.0687 6.0687 7.0471 7.0471 7.2415 7.2415 8.3107 8.3107 8.4283 8.4283 8.8999 8.8999 9.9523 9.9523 k = 0.5000 0.2965 0.2828 ( 6200 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1926 -35.1926 -35.1872 -35.1872 -34.9094 -34.9094 -34.9006 -34.9006 -34.9002 -34.9002 -34.8983 -34.8983 -20.2426 -20.2426 -6.9696 -6.9696 -5.0915 -5.0915 -4.9177 -4.9177 -0.7616 -0.7616 0.2062 0.2062 4.8722 4.8722 5.1255 5.1255 6.0984 6.0984 7.1150 7.1150 7.2987 7.2987 8.1825 8.1825 8.3939 8.3939 8.9474 8.9474 9.9291 9.9291 k = 0.5000 0.2965 0.2626 ( 6202 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1927 -35.1927 -35.1871 -35.1871 -34.9095 -34.9095 -34.9004 -34.9004 -34.9002 -34.9002 -34.8983 -34.8983 -20.2431 -20.2431 -6.9678 -6.9678 -5.0912 -5.0912 -4.9098 -4.9098 -0.7838 -0.7838 0.1873 0.1873 4.9383 4.9383 5.1858 5.1858 6.1242 6.1242 7.1792 7.1792 7.3551 7.3551 8.0567 8.0567 8.3547 8.3547 8.9668 8.9668 9.9402 9.9402 k = 0.5000 0.2965 0.2424 ( 6198 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1927 -35.1927 -35.1871 -35.1871 -34.9096 -34.9096 -34.9002 -34.9002 -34.9002 -34.9002 -34.8983 -34.8983 -20.2435 -20.2435 -6.9660 -6.9660 -5.0908 -5.0908 -4.9021 -4.9021 -0.8059 -0.8059 0.1700 0.1700 5.0079 5.0079 5.2472 5.2472 6.1457 6.1457 7.2405 7.2405 7.4106 7.4106 7.9339 7.9339 8.3099 8.3099 8.9555 8.9555 9.9311 9.9311 k = 0.5000 0.2965 0.2222 ( 6194 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1928 -35.1928 -35.1870 -35.1870 -34.9097 -34.9097 -34.9002 -34.9002 -34.9000 -34.9000 -34.8984 -34.8984 -20.2440 -20.2440 -6.9643 -6.9643 -5.0903 -5.0903 -4.8947 -4.8947 -0.8277 -0.8277 0.1541 0.1541 5.0805 5.0805 5.3096 5.3096 6.1625 6.1625 7.2996 7.2996 7.4645 7.4645 7.8147 7.8147 8.2594 8.2594 8.9181 8.9181 9.9223 9.9223 k = 0.5000 0.2965 0.2020 ( 6200 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9098 -34.9098 -34.9003 -34.9003 -34.8999 -34.8999 -34.8984 -34.8984 -20.2444 -20.2444 -6.9627 -6.9627 -5.0899 -5.0899 -4.8876 -4.8876 -0.8487 -0.8487 0.1398 0.1398 5.1557 5.1557 5.3727 5.3727 6.1743 6.1743 7.3572 7.3572 7.5164 7.5164 7.6995 7.6995 8.2038 8.2038 8.8627 8.8627 9.9324 9.9324 k = 0.5000 0.2965 0.1818 ( 6206 PWs) bands (ev): -68.2499 -68.2499 -68.2488 -68.2488 -35.1929 -35.1929 -35.1869 -35.1869 -34.9099 -34.9099 -34.9003 -34.9003 -34.8997 -34.8997 -34.8984 -34.8984 -20.2447 -20.2447 -6.9612 -6.9612 -5.0895 -5.0895 -4.8810 -4.8810 -0.8688 -0.8688 0.1268 0.1268 5.2327 5.2327 5.4361 5.4361 6.1806 6.1806 7.4136 7.4136 7.5644 7.5644 7.5903 7.5903 8.1445 8.1445 8.7963 8.7963 9.9615 9.9615 k = 0.5000 0.2965 0.1616 ( 6210 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1930 -35.1930 -35.1868 -35.1868 -34.9100 -34.9100 -34.9003 -34.9003 -34.8996 -34.8996 -34.8984 -34.8984 -20.2451 -20.2451 -6.9599 -6.9599 -5.0891 -5.0891 -4.8749 -4.8749 -0.8875 -0.8875 0.1153 0.1153 5.3109 5.3109 5.4992 5.4992 6.1811 6.1811 7.4691 7.4691 7.4825 7.4825 7.6133 7.6133 8.0833 8.0833 8.7241 8.7241 10.0085 10.0085 k = 0.5000 0.2965 0.1414 ( 6212 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1931 -35.1931 -35.1868 -35.1868 -34.9101 -34.9101 -34.9004 -34.9004 -34.8995 -34.8995 -34.8984 -34.8984 -20.2454 -20.2454 -6.9586 -6.9586 -5.0887 -5.0887 -4.8693 -4.8693 -0.9047 -0.9047 0.1053 0.1053 5.3894 5.3894 5.5615 5.5615 6.1756 6.1756 7.3827 7.3827 7.5244 7.5244 7.6563 7.6563 8.0225 8.0225 8.6496 8.6496 10.0721 10.0721 k = 0.5000 0.2965 0.1212 ( 6208 PWs) bands (ev): -68.2500 -68.2500 -68.2488 -68.2488 -35.1931 -35.1931 -35.1867 -35.1867 -34.9102 -34.9102 -34.9004 -34.9004 -34.8994 -34.8994 -34.8984 -34.8984 -20.2457 -20.2457 -6.9576 -6.9576 -5.0884 -5.0884 -4.8643 -4.8643 -0.9202 -0.9202 0.0966 0.0966 5.4674 5.4674 5.6220 5.6220 6.1638 6.1638 7.2899 7.2899 7.5786 7.5786 7.6954 7.6954 7.9641 7.9641 8.5752 8.5752 10.1507 10.1507 k = 0.5000 0.2965 0.1010 ( 6214 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1931 -35.1931 -35.1867 -35.1867 -34.9102 -34.9102 -34.9004 -34.9004 -34.8993 -34.8993 -34.8984 -34.8984 -20.2459 -20.2459 -6.9567 -6.9567 -5.0880 -5.0880 -4.8599 -4.8599 -0.9336 -0.9336 0.0892 0.0892 5.5436 5.5436 5.6796 5.6796 6.1455 6.1455 7.2055 7.2055 7.6317 7.6317 7.7299 7.7299 7.9104 7.9104 8.5031 8.5031 10.2426 10.2426 k = 0.5000 0.2965 0.0808 ( 6218 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9103 -34.9103 -34.9004 -34.9004 -34.8993 -34.8993 -34.8984 -34.8984 -20.2461 -20.2461 -6.9559 -6.9559 -5.0878 -5.0878 -4.8563 -4.8563 -0.9448 -0.9448 0.0833 0.0833 5.6165 5.6165 5.7329 5.7329 6.1209 6.1209 7.1312 7.1312 7.6823 7.6823 7.7593 7.7593 7.8635 7.8635 8.4353 8.4353 10.3460 10.3460 k = 0.5000 0.2965 0.0606 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2462 -20.2462 -6.9553 -6.9553 -5.0876 -5.0876 -4.8535 -4.8535 -0.9537 -0.9537 0.0786 0.0786 5.6835 5.6835 5.7806 5.7806 6.0906 6.0906 7.0692 7.0692 7.7284 7.7284 7.7832 7.7832 7.8253 7.8253 8.3745 8.3745 10.4585 10.4585 k = 0.5000 0.2965 0.0404 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2463 -20.2463 -6.9549 -6.9549 -5.0874 -5.0874 -4.8514 -4.8514 -0.9602 -0.9602 0.0753 0.0753 5.7400 5.7400 5.8222 5.8222 6.0564 6.0564 7.0222 7.0222 7.7650 7.7650 7.7958 7.7958 7.8045 7.8045 8.3243 8.3243 10.5751 10.5751 k = 0.5000 0.2965 0.0202 ( 6226 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1932 -35.1932 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9547 -6.9547 -5.0873 -5.0873 -4.8502 -4.8502 -0.9641 -0.9641 0.0733 0.0733 5.7782 5.7782 5.8565 5.8565 6.0239 6.0239 6.9925 6.9925 7.7745 7.7745 7.7934 7.7934 7.8181 7.8181 8.2901 8.2901 10.6809 10.6809 k = 0.5000 0.2965-0.0000 ( 6230 PWs) bands (ev): -68.2500 -68.2500 -68.2487 -68.2487 -35.1933 -35.1933 -35.1866 -35.1866 -34.9104 -34.9104 -34.9004 -34.9004 -34.8992 -34.8992 -34.8984 -34.8984 -20.2464 -20.2464 -6.9546 -6.9546 -5.0873 -5.0873 -4.8497 -4.8497 -0.9654 -0.9654 0.0727 0.0727 5.7916 5.7916 5.8726 5.8726 6.0080 6.0080 6.9824 6.9824 7.7700 7.7700 7.7992 7.7992 7.8245 7.8245 8.2777 8.2777 10.7291 10.7291 k = 0.0000 0.0000 0.9803 ( 6200 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0836 -5.0836 -5.0640 -5.0640 -0.8240 -0.8240 1.4384 1.4384 3.8798 3.8798 4.0816 4.0816 4.5792 4.5792 5.7835 5.7835 6.0795 6.0795 8.5251 8.5251 9.0719 9.0719 9.8085 9.8085 12.0077 12.0077 k = 0.0167 0.0099 0.9803 ( 6212 PWs) bands (ev): -68.2494 -68.2494 -68.2494 -68.2494 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0836 -5.0836 -5.0640 -5.0640 -0.8239 -0.8239 1.4379 1.4379 3.8803 3.8803 4.0811 4.0811 4.5816 4.5816 5.7840 5.7840 6.0784 6.0784 8.4888 8.4888 9.1118 9.1118 9.8132 9.8132 12.0074 12.0074 k = 0.0333 0.0198 0.9803 ( 6210 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0836 -5.0836 -5.0640 -5.0640 -0.8236 -0.8236 1.4363 1.4363 3.8818 3.8818 4.0795 4.0795 4.5885 4.5885 5.7855 5.7855 6.0754 6.0754 8.4016 8.4016 9.2100 9.2100 9.8275 9.8275 12.0061 12.0061 k = 0.0500 0.0296 0.9803 ( 6210 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0835 -5.0835 -5.0641 -5.0641 -0.8231 -0.8231 1.4337 1.4337 3.8844 3.8844 4.0770 4.0770 4.5998 4.5998 5.7881 5.7881 6.0704 6.0704 8.2928 8.2928 9.3371 9.3371 9.8513 9.8513 12.0027 12.0027 k = 0.0667 0.0395 0.9803 ( 6216 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8976 -34.8976 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0834 -5.0834 -5.0642 -5.0642 -0.8225 -0.8225 1.4302 1.4302 3.8878 3.8878 4.0735 4.0735 4.6151 4.6151 5.7916 5.7916 6.0637 6.0637 8.1776 8.1776 9.4778 9.4778 9.8845 9.8845 11.9915 11.9915 k = 0.0833 0.0494 0.9803 ( 6216 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8976 -34.8976 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0833 -5.0833 -5.0643 -5.0643 -0.8217 -0.8217 1.4261 1.4261 3.8922 3.8922 4.0691 4.0691 4.6338 4.6338 5.7962 5.7962 6.0553 6.0553 8.0626 8.0626 9.6250 9.6250 9.9271 9.9271 11.9425 11.9425 k = 0.1000 0.0593 0.9803 ( 6214 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0832 -5.0832 -5.0644 -5.0644 -0.8208 -0.8208 1.4214 1.4214 3.8974 3.8974 4.0639 4.0639 4.6553 4.6553 5.8017 5.8017 6.0456 6.0456 7.9516 7.9516 9.7744 9.7744 9.9796 9.9796 11.8436 11.8436 k = 0.1167 0.0692 0.9803 ( 6206 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0831 -5.0831 -5.0646 -5.0646 -0.8199 -0.8199 1.4164 1.4164 3.9034 3.9034 4.0580 4.0580 4.6788 4.6788 5.8080 5.8080 6.0347 6.0347 7.8466 7.8466 9.9210 9.9210 10.0440 10.0440 11.7278 11.7278 k = 0.1333 0.0791 0.9803 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0830 -5.0830 -5.0647 -5.0647 -0.8189 -0.8189 1.4113 1.4113 3.9100 3.9100 4.0514 4.0514 4.7033 4.7033 5.8151 5.8151 6.0230 6.0230 7.7494 7.7494 10.0519 10.0519 10.1308 10.1308 11.6055 11.6055 k = 0.1500 0.0889 0.9803 ( 6194 PWs) bands (ev): -68.2494 -68.2494 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0829 -5.0829 -5.0649 -5.0649 -0.8180 -0.8180 1.4063 1.4063 3.9171 3.9171 4.0443 4.0443 4.7278 4.7278 5.8229 5.8229 6.0108 6.0108 7.6614 7.6614 10.1512 10.1512 10.2530 10.2530 11.4805 11.4805 k = 0.1667 0.0988 0.9803 ( 6188 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0827 -5.0827 -5.0650 -5.0650 -0.8171 -0.8171 1.4017 1.4017 3.9245 3.9245 4.0370 4.0370 4.7513 4.7513 5.8311 5.8311 5.9985 5.9985 7.5841 7.5841 10.2391 10.2391 10.3871 10.3871 11.3548 11.3548 k = 0.1833 0.1087 0.9803 ( 6174 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1900 -35.1900 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0826 -5.0826 -5.0651 -5.0651 -0.8163 -0.8163 1.3977 1.3977 3.9320 3.9320 4.0295 4.0295 4.7726 4.7726 5.8395 5.8395 5.9866 5.9866 7.5186 7.5186 10.3290 10.3290 10.5152 10.5152 11.2299 11.2299 k = 0.2000 0.1186 0.9803 ( 6182 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0825 -5.0825 -5.0653 -5.0653 -0.8157 -0.8157 1.3943 1.3943 3.9391 3.9391 4.0224 4.0224 4.7905 4.7905 5.8475 5.8475 5.9756 5.9756 7.4662 7.4662 10.4235 10.4235 10.6288 10.6288 11.1072 11.1072 k = 0.2167 0.1285 0.9803 ( 6174 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0824 -5.0824 -5.0653 -5.0653 -0.8152 -0.8152 1.3919 1.3919 3.9454 3.9454 4.0162 4.0162 4.8041 4.8041 5.8545 5.8545 5.9665 5.9665 7.4279 7.4279 10.5221 10.5221 10.7192 10.7192 10.9887 10.9887 k = 0.2333 0.1384 0.9803 ( 6184 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1901 -35.1901 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0824 -5.0824 -5.0654 -5.0654 -0.8149 -0.8149 1.3903 1.3903 3.9498 3.9498 4.0118 4.0118 4.8126 4.8126 5.8593 5.8593 5.9604 5.9604 7.4046 7.4046 10.6226 10.6226 10.7738 10.7738 10.8814 10.8814 k = 0.2500 0.1482 0.9803 ( 6176 PWs) bands (ev): -68.2493 -68.2493 -68.2493 -68.2493 -35.1901 -35.1901 -35.1900 -35.1900 -34.9069 -34.9069 -34.9068 -34.9068 -34.8975 -34.8975 -34.8974 -34.8974 -20.2268 -20.2268 -7.0174 -7.0174 -5.0823 -5.0823 -5.0655 -5.0655 -0.8148 -0.8148 1.3898 1.3898 3.9514 3.9514 4.0102 4.0102 4.8155 4.8155 5.8610 5.8610 5.9582 5.9582 7.3968 7.3968 10.6959 10.6959 10.7641 10.7641 10.8347 10.8347 Writing output data file BaxMgSix2.save init_run : 0.68s CPU 0.85s WALL ( 1 calls) electrons : 201.24s CPU 203.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 201.22s CPU 203.49s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 315 calls) cegterg : 182.59s CPU 184.32s WALL ( 393 calls) Called by sum_band: Called by *egterg: h_psi : 131.15s CPU 132.58s WALL ( 6815 calls) s_psi : 4.57s CPU 4.70s WALL ( 6815 calls) g_psi : 0.29s CPU 0.28s WALL ( 6107 calls) cdiaghg : 41.83s CPU 42.35s WALL ( 6422 calls) cegterg:over : 6.36s CPU 6.38s WALL ( 6107 calls) cegterg:upda : 6.24s CPU 6.16s WALL ( 6107 calls) cegterg:last : 2.70s CPU 2.71s WALL ( 1023 calls) cdiaghg:chol : 2.38s CPU 2.47s WALL ( 6422 calls) cdiaghg:inve : 1.61s CPU 1.59s WALL ( 6422 calls) cdiaghg:para : 2.48s CPU 2.42s WALL ( 12844 calls) Called by h_psi: h_psi:vloc : 120.93s CPU 122.34s WALL ( 6815 calls) h_psi:vnl : 9.90s CPU 9.97s WALL ( 6815 calls) add_vuspsi : 4.96s CPU 5.03s WALL ( 6815 calls) General routines calbec : 4.92s CPU 4.92s WALL ( 6815 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 111.57s CPU 112.52s WALL ( 628060 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.25s WALL ( 630 calls) Parallel routines fft_scatter : 37.00s CPU 36.72s WALL ( 628083 calls) PWSCF : 3m39.64s CPU 3m57.18s WALL This run was terminated on: 14:12: 7 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=