Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:25:34 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: ./LiAg.save/ 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 75 75 21 1722 1722 258 Max 76 76 22 1724 1724 260 Sum 2725 2725 773 62023 62023 9327 bravais-lattice index = 14 lattice parameter (alat) = 9.4495 a.u. unit-cell volume = 439.4210 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.449527 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.685504 celldm(5)= -0.685504 celldm(6)= 0.371007 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.371007 0.928630 0.000000 ) a(3) = ( -0.685504 -0.464315 0.560800 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.399521 0.891584 ) b(2) = ( 0.000000 1.076855 0.891584 ) b(3) = ( 0.000000 0.000000 1.783167 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Li 3.00 6.94100 Li( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.6855035 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.4643150 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.1855035 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.4643150 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0156418), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0312836), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0469255), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0625673), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0782091), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0938509), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1094927), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1251346), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1407764), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1564182), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1720600), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1877018), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.2033437), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2189855), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2346273), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.2502691), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.2659109), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.2815528), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.2971946), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.3128364), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.3284782), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.3441200), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.3597619), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.3754037), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.3910455), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.4066873), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.4223291), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.4379710), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.4536128), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.4692546), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.4848964), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.5005382), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.5161800), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.5318219), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.5474637), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.5631055), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.5787473), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.5943891), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.6100310), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.6256728), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.6413146), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.6569564), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.6725982), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.6882401), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.7038819), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.7195237), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.7351655), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.7508073), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.7664492), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.7820910), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.7977328), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.8133746), wk = 0.0026455 k( 54) = ( 0.0000000 0.0000000 0.8290164), wk = 0.0026455 k( 55) = ( 0.0000000 0.0000000 0.8446583), wk = 0.0026455 k( 56) = ( 0.0000000 0.0000000 0.8603001), wk = 0.0026455 k( 57) = ( 0.0000000 0.0000000 0.8759419), wk = 0.0026455 k( 58) = ( 0.0000000 0.0000000 0.8915837), wk = 0.0026455 k( 59) = ( 0.0000000 0.0000000 0.8915837), wk = 0.0026455 k( 60) = ( -0.0088227 0.0130257 0.8915837), wk = 0.0026455 k( 61) = ( -0.0176455 0.0260513 0.8915837), wk = 0.0026455 k( 62) = ( -0.0264682 0.0390770 0.8915837), wk = 0.0026455 k( 63) = ( -0.0352909 0.0521026 0.8915837), wk = 0.0026455 k( 64) = ( -0.0441136 0.0651283 0.8915837), wk = 0.0026455 k( 65) = ( -0.0529363 0.0781539 0.8915837), wk = 0.0026455 k( 66) = ( -0.0617591 0.0911796 0.8915837), wk = 0.0026455 k( 67) = ( -0.0705818 0.1042053 0.8915837), wk = 0.0026455 k( 68) = ( -0.0794045 0.1172309 0.8915837), wk = 0.0026455 k( 69) = ( -0.0882272 0.1302566 0.8915837), wk = 0.0026455 k( 70) = ( -0.0970500 0.1432822 0.8915837), wk = 0.0026455 k( 71) = ( -0.1058727 0.1563079 0.8915837), wk = 0.0026455 k( 72) = ( -0.1146954 0.1693336 0.8915837), wk = 0.0026455 k( 73) = ( -0.1146954 0.1693336 0.8915837), wk = 0.0026455 k( 74) = ( -0.1209100 0.1785086 0.8805021), wk = 0.0026455 k( 75) = ( -0.1271246 0.1876837 0.8694204), wk = 0.0026455 k( 76) = ( -0.1333392 0.1968588 0.8583388), wk = 0.0026455 k( 77) = ( -0.1395538 0.2060338 0.8472571), wk = 0.0026455 k( 78) = ( -0.1457684 0.2152089 0.8361754), wk = 0.0026455 k( 79) = ( -0.1519830 0.2243840 0.8250938), wk = 0.0026455 k( 80) = ( -0.1581975 0.2335591 0.8140121), wk = 0.0026455 k( 81) = ( -0.1644121 0.2427341 0.8029305), wk = 0.0026455 k( 82) = ( -0.1706267 0.2519092 0.7918488), wk = 0.0026455 k( 83) = ( -0.1768413 0.2610843 0.7807672), wk = 0.0026455 k( 84) = ( -0.1830559 0.2702593 0.7696855), wk = 0.0026455 k( 85) = ( -0.1892705 0.2794344 0.7586039), wk = 0.0026455 k( 86) = ( -0.1954851 0.2886095 0.7475222), wk = 0.0026455 k( 87) = ( -0.2016997 0.2977846 0.7364406), wk = 0.0026455 k( 88) = ( -0.2079143 0.3069596 0.7253589), wk = 0.0026455 k( 89) = ( -0.2141289 0.3161347 0.7142772), wk = 0.0026455 k( 90) = ( -0.2203434 0.3253098 0.7031956), wk = 0.0026455 k( 91) = ( -0.2265580 0.3344848 0.6921139), wk = 0.0026455 k( 92) = ( -0.2327726 0.3436599 0.6810323), wk = 0.0026455 k( 93) = ( -0.2389872 0.3528350 0.6699506), wk = 0.0026455 k( 94) = ( -0.2452018 0.3620101 0.6588690), wk = 0.0026455 k( 95) = ( -0.2514164 0.3711851 0.6477873), wk = 0.0026455 k( 96) = ( -0.2576310 0.3803602 0.6367057), wk = 0.0026455 k( 97) = ( -0.2638456 0.3895353 0.6256240), wk = 0.0026455 k( 98) = ( -0.2700602 0.3987104 0.6145424), wk = 0.0026455 k( 99) = ( -0.2762748 0.4078854 0.6034607), wk = 0.0026455 k( 100) = ( -0.2824893 0.4170605 0.5923790), wk = 0.0026455 k( 101) = ( -0.2887039 0.4262356 0.5812974), wk = 0.0026455 k( 102) = ( -0.2949185 0.4354106 0.5702157), wk = 0.0026455 k( 103) = ( -0.3011331 0.4445857 0.5591341), wk = 0.0026455 k( 104) = ( -0.3073477 0.4537608 0.5480524), wk = 0.0026455 k( 105) = ( -0.3073477 0.4537608 0.5480524), wk = 0.0026455 k( 106) = ( -0.3010753 0.4445004 0.5368677), wk = 0.0026455 k( 107) = ( -0.2948029 0.4352399 0.5256829), wk = 0.0026455 k( 108) = ( -0.2885305 0.4259795 0.5144982), wk = 0.0026455 k( 109) = ( -0.2822581 0.4167191 0.5033135), wk = 0.0026455 k( 110) = ( -0.2759857 0.4074587 0.4921287), wk = 0.0026455 k( 111) = ( -0.2697133 0.3981982 0.4809440), wk = 0.0026455 k( 112) = ( -0.2634409 0.3889378 0.4697592), wk = 0.0026455 k( 113) = ( -0.2571685 0.3796774 0.4585745), wk = 0.0026455 k( 114) = ( -0.2508961 0.3704170 0.4473897), wk = 0.0026455 k( 115) = ( -0.2446237 0.3611565 0.4362050), wk = 0.0026455 k( 116) = ( -0.2383513 0.3518961 0.4250202), wk = 0.0026455 k( 117) = ( -0.2320789 0.3426357 0.4138355), wk = 0.0026455 k( 118) = ( -0.2258065 0.3333753 0.4026508), wk = 0.0026455 k( 119) = ( -0.2195341 0.3241148 0.3914660), wk = 0.0026455 k( 120) = ( -0.2132617 0.3148544 0.3802813), wk = 0.0026455 k( 121) = ( -0.2069893 0.3055940 0.3690965), wk = 0.0026455 k( 122) = ( -0.2007169 0.2963336 0.3579118), wk = 0.0026455 k( 123) = ( -0.1944445 0.2870732 0.3467270), wk = 0.0026455 k( 124) = ( -0.1881721 0.2778127 0.3355423), wk = 0.0026455 k( 125) = ( -0.1818997 0.2685523 0.3243576), wk = 0.0026455 k( 126) = ( -0.1756273 0.2592919 0.3131728), wk = 0.0026455 k( 127) = ( -0.1693549 0.2500315 0.3019881), wk = 0.0026455 k( 128) = ( -0.1630825 0.2407710 0.2908033), wk = 0.0026455 k( 129) = ( -0.1568101 0.2315106 0.2796186), wk = 0.0026455 k( 130) = ( -0.1505376 0.2222502 0.2684338), wk = 0.0026455 k( 131) = ( -0.1442653 0.2129898 0.2572491), wk = 0.0026455 k( 132) = ( -0.1379929 0.2037293 0.2460644), wk = 0.0026455 k( 133) = ( -0.1317204 0.1944689 0.2348796), wk = 0.0026455 k( 134) = ( -0.1254480 0.1852085 0.2236949), wk = 0.0026455 k( 135) = ( -0.1191756 0.1759481 0.2125101), wk = 0.0026455 k( 136) = ( -0.1129032 0.1666876 0.2013254), wk = 0.0026455 k( 137) = ( -0.1066308 0.1574272 0.1901406), wk = 0.0026455 k( 138) = ( -0.1003584 0.1481668 0.1789559), wk = 0.0026455 k( 139) = ( -0.0940860 0.1389064 0.1677711), wk = 0.0026455 k( 140) = ( -0.0878136 0.1296459 0.1565864), wk = 0.0026455 k( 141) = ( -0.0815412 0.1203855 0.1454017), wk = 0.0026455 k( 142) = ( -0.0752688 0.1111251 0.1342169), wk = 0.0026455 k( 143) = ( -0.0689964 0.1018647 0.1230322), wk = 0.0026455 k( 144) = ( -0.0627240 0.0926042 0.1118474), wk = 0.0026455 k( 145) = ( -0.0564516 0.0833438 0.1006627), wk = 0.0026455 k( 146) = ( -0.0501792 0.0740834 0.0894780), wk = 0.0026455 k( 147) = ( -0.0439068 0.0648230 0.0782932), wk = 0.0026455 k( 148) = ( -0.0376344 0.0555625 0.0671085), wk = 0.0026455 k( 149) = ( -0.0313620 0.0463021 0.0559237), wk = 0.0026455 k( 150) = ( -0.0250896 0.0370417 0.0447390), wk = 0.0026455 k( 151) = ( -0.0188172 0.0277813 0.0335542), wk = 0.0026455 k( 152) = ( -0.0125448 0.0185208 0.0223695), wk = 0.0026455 k( 153) = ( -0.0062724 0.0092604 0.0111847), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 156) = ( 0.0131579 0.0089123 0.0000000), wk = 0.0026455 k( 157) = ( 0.0263158 0.0178246 0.0000000), wk = 0.0026455 k( 158) = ( 0.0394737 0.0267369 0.0000000), wk = 0.0026455 k( 159) = ( 0.0526316 0.0356492 0.0000000), wk = 0.0026455 k( 160) = ( 0.0657895 0.0445615 0.0000000), wk = 0.0026455 k( 161) = ( 0.0789474 0.0534738 0.0000000), wk = 0.0026455 k( 162) = ( 0.0921053 0.0623860 0.0000000), wk = 0.0026455 k( 163) = ( 0.1052632 0.0712983 0.0000000), wk = 0.0026455 k( 164) = ( 0.1184210 0.0802106 0.0000000), wk = 0.0026455 k( 165) = ( 0.1315790 0.0891229 0.0000000), wk = 0.0026455 k( 166) = ( 0.1447368 0.0980352 0.0000000), wk = 0.0026455 k( 167) = ( 0.1578947 0.1069475 0.0000000), wk = 0.0026455 k( 168) = ( 0.1710526 0.1158598 0.0000000), wk = 0.0026455 k( 169) = ( 0.1842105 0.1247721 0.0000000), wk = 0.0026455 k( 170) = ( 0.1973684 0.1336844 0.0000000), wk = 0.0026455 k( 171) = ( 0.2105263 0.1425967 0.0000000), wk = 0.0026455 k( 172) = ( 0.2236842 0.1515090 0.0000000), wk = 0.0026455 k( 173) = ( 0.2368421 0.1604213 0.0000000), wk = 0.0026455 k( 174) = ( 0.2500000 0.1693336 0.0000000), wk = 0.0026455 k( 175) = ( 0.2631579 0.1782458 0.0000000), wk = 0.0026455 k( 176) = ( 0.2763158 0.1871581 0.0000000), wk = 0.0026455 k( 177) = ( 0.2894737 0.1960704 0.0000000), wk = 0.0026455 k( 178) = ( 0.3026316 0.2049827 0.0000000), wk = 0.0026455 k( 179) = ( 0.3157895 0.2138950 0.0000000), wk = 0.0026455 k( 180) = ( 0.3289474 0.2228073 0.0000000), wk = 0.0026455 k( 181) = ( 0.3421053 0.2317196 0.0000000), wk = 0.0026455 k( 182) = ( 0.3552632 0.2406319 0.0000000), wk = 0.0026455 k( 183) = ( 0.3684211 0.2495442 0.0000000), wk = 0.0026455 k( 184) = ( 0.3815789 0.2584565 0.0000000), wk = 0.0026455 k( 185) = ( 0.3947368 0.2673688 0.0000000), wk = 0.0026455 k( 186) = ( 0.4078947 0.2762811 0.0000000), wk = 0.0026455 k( 187) = ( 0.4210526 0.2851934 0.0000000), wk = 0.0026455 k( 188) = ( 0.4342105 0.2941057 0.0000000), wk = 0.0026455 k( 189) = ( 0.4473684 0.3030179 0.0000000), wk = 0.0026455 k( 190) = ( 0.4605263 0.3119302 0.0000000), wk = 0.0026455 k( 191) = ( 0.4736842 0.3208425 0.0000000), wk = 0.0026455 k( 192) = ( 0.4868421 0.3297548 0.0000000), wk = 0.0026455 k( 193) = ( 0.5000000 0.3386671 0.0000000), wk = 0.0026455 k( 194) = ( 0.5000000 0.3386671 0.0000000), wk = 0.0026455 k( 195) = ( 0.4937854 0.3478422 0.0110817), wk = 0.0026455 k( 196) = ( 0.4875708 0.3570173 0.0221633), wk = 0.0026455 k( 197) = ( 0.4813562 0.3661923 0.0332450), wk = 0.0026455 k( 198) = ( 0.4751416 0.3753674 0.0443266), wk = 0.0026455 k( 199) = ( 0.4689271 0.3845425 0.0554083), wk = 0.0026455 k( 200) = ( 0.4627125 0.3937175 0.0664899), wk = 0.0026455 k( 201) = ( 0.4564979 0.4028926 0.0775716), wk = 0.0026455 k( 202) = ( 0.4502833 0.4120677 0.0886532), wk = 0.0026455 k( 203) = ( 0.4440687 0.4212428 0.0997349), wk = 0.0026455 k( 204) = ( 0.4378541 0.4304178 0.1108165), wk = 0.0026455 k( 205) = ( 0.4316395 0.4395929 0.1218982), wk = 0.0026455 k( 206) = ( 0.4254249 0.4487680 0.1329799), wk = 0.0026455 k( 207) = ( 0.4192103 0.4579430 0.1440615), wk = 0.0026455 k( 208) = ( 0.4129957 0.4671181 0.1551432), wk = 0.0026455 k( 209) = ( 0.4067811 0.4762932 0.1662248), wk = 0.0026455 k( 210) = ( 0.4005666 0.4854683 0.1773065), wk = 0.0026455 k( 211) = ( 0.3943520 0.4946433 0.1883881), wk = 0.0026455 k( 212) = ( 0.3881374 0.5038184 0.1994698), wk = 0.0026455 k( 213) = ( 0.3819228 0.5129935 0.2105514), wk = 0.0026455 k( 214) = ( 0.3757082 0.5221685 0.2216331), wk = 0.0026455 k( 215) = ( 0.3694936 0.5313436 0.2327147), wk = 0.0026455 k( 216) = ( 0.3632790 0.5405187 0.2437964), wk = 0.0026455 k( 217) = ( 0.3570644 0.5496938 0.2548781), wk = 0.0026455 k( 218) = ( 0.3508498 0.5588688 0.2659597), wk = 0.0026455 k( 219) = ( 0.3446353 0.5680439 0.2770414), wk = 0.0026455 k( 220) = ( 0.3384207 0.5772190 0.2881230), wk = 0.0026455 k( 221) = ( 0.3322061 0.5863940 0.2992047), wk = 0.0026455 k( 222) = ( 0.3259915 0.5955691 0.3102863), wk = 0.0026455 k( 223) = ( 0.3197769 0.6047442 0.3213680), wk = 0.0026455 k( 224) = ( 0.3135623 0.6139193 0.3324496), wk = 0.0026455 k( 225) = ( 0.3073477 0.6230943 0.3435313), wk = 0.0026455 k( 226) = ( 0.3073477 0.6230943 0.3435313), wk = 0.0026455 k( 227) = ( 0.2933774 0.6192458 0.3481795), wk = 0.0026455 k( 228) = ( 0.2794070 0.6153974 0.3528277), wk = 0.0026455 k( 229) = ( 0.2654367 0.6115489 0.3574759), wk = 0.0026455 k( 230) = ( 0.2514663 0.6077004 0.3621241), wk = 0.0026455 k( 231) = ( 0.2374960 0.6038519 0.3667723), wk = 0.0026455 k( 232) = ( 0.2235256 0.6000034 0.3714205), wk = 0.0026455 k( 233) = ( 0.2095552 0.5961549 0.3760688), wk = 0.0026455 k( 234) = ( 0.1955849 0.5923064 0.3807170), wk = 0.0026455 k( 235) = ( 0.1816146 0.5884579 0.3853652), wk = 0.0026455 k( 236) = ( 0.1676442 0.5846094 0.3900134), wk = 0.0026455 k( 237) = ( 0.1536739 0.5807610 0.3946616), wk = 0.0026455 k( 238) = ( 0.1397035 0.5769125 0.3993098), wk = 0.0026455 k( 239) = ( 0.1257331 0.5730640 0.4039580), wk = 0.0026455 k( 240) = ( 0.1117628 0.5692155 0.4086062), wk = 0.0026455 k( 241) = ( 0.0977925 0.5653670 0.4132544), wk = 0.0026455 k( 242) = ( 0.0838221 0.5615185 0.4179026), wk = 0.0026455 k( 243) = ( 0.0698518 0.5576700 0.4225508), wk = 0.0026455 k( 244) = ( 0.0558814 0.5538215 0.4271990), wk = 0.0026455 k( 245) = ( 0.0419110 0.5499730 0.4318472), wk = 0.0026455 k( 246) = ( 0.0279407 0.5461245 0.4364954), wk = 0.0026455 k( 247) = ( 0.0139703 0.5422760 0.4411437), wk = 0.0026455 k( 248) = ( 0.0000000 0.5384276 0.4457919), wk = 0.0026455 k( 249) = ( 0.0000000 0.5384276 0.4457919), wk = 0.0026455 k( 250) = ( 0.0062500 0.5292002 0.4569367), wk = 0.0026455 k( 251) = ( 0.0125000 0.5199729 0.4680815), wk = 0.0026455 k( 252) = ( 0.0187500 0.5107455 0.4792263), wk = 0.0026455 k( 253) = ( 0.0250000 0.5015182 0.4903710), wk = 0.0026455 k( 254) = ( 0.0312500 0.4922908 0.5015158), wk = 0.0026455 k( 255) = ( 0.0375000 0.4830635 0.5126606), wk = 0.0026455 k( 256) = ( 0.0437500 0.4738361 0.5238054), wk = 0.0026455 k( 257) = ( 0.0500000 0.4646088 0.5349502), wk = 0.0026455 k( 258) = ( 0.0562500 0.4553814 0.5460950), wk = 0.0026455 k( 259) = ( 0.0625000 0.4461541 0.5572398), wk = 0.0026455 k( 260) = ( 0.0687500 0.4369267 0.5683846), wk = 0.0026455 k( 261) = ( 0.0750000 0.4276994 0.5795294), wk = 0.0026455 k( 262) = ( 0.0812500 0.4184720 0.5906742), wk = 0.0026455 k( 263) = ( 0.0875000 0.4092447 0.6018190), wk = 0.0026455 k( 264) = ( 0.0937500 0.4000173 0.6129638), wk = 0.0026455 k( 265) = ( 0.1000000 0.3907900 0.6241086), wk = 0.0026455 k( 266) = ( 0.1062500 0.3815626 0.6352534), wk = 0.0026455 k( 267) = ( 0.1125000 0.3723353 0.6463982), wk = 0.0026455 k( 268) = ( 0.1187500 0.3631079 0.6575430), wk = 0.0026455 k( 269) = ( 0.1250000 0.3538806 0.6686878), wk = 0.0026455 k( 270) = ( 0.1312500 0.3446532 0.6798326), wk = 0.0026455 k( 271) = ( 0.1375000 0.3354259 0.6909774), wk = 0.0026455 k( 272) = ( 0.1437500 0.3261985 0.7021222), wk = 0.0026455 k( 273) = ( 0.1500000 0.3169712 0.7132670), wk = 0.0026455 k( 274) = ( 0.1562500 0.3077438 0.7244118), wk = 0.0026455 k( 275) = ( 0.1625000 0.2985165 0.7355566), wk = 0.0026455 k( 276) = ( 0.1687500 0.2892891 0.7467014), wk = 0.0026455 k( 277) = ( 0.1750000 0.2800618 0.7578462), wk = 0.0026455 k( 278) = ( 0.1812500 0.2708344 0.7689910), wk = 0.0026455 k( 279) = ( 0.1875000 0.2616071 0.7801358), wk = 0.0026455 k( 280) = ( 0.1937500 0.2523797 0.7912806), wk = 0.0026455 k( 281) = ( 0.2000000 0.2431524 0.8024253), wk = 0.0026455 k( 282) = ( 0.2062500 0.2339250 0.8135701), wk = 0.0026455 k( 283) = ( 0.2125000 0.2246977 0.8247149), wk = 0.0026455 k( 284) = ( 0.2187500 0.2154703 0.8358597), wk = 0.0026455 k( 285) = ( 0.2250000 0.2062430 0.8470045), wk = 0.0026455 k( 286) = ( 0.2312500 0.1970156 0.8581493), wk = 0.0026455 k( 287) = ( 0.2375000 0.1877883 0.8692941), wk = 0.0026455 k( 288) = ( 0.2437500 0.1785609 0.8804389), wk = 0.0026455 k( 289) = ( 0.2500000 0.1693336 0.8915837), wk = 0.0026455 k( 290) = ( 0.2500000 0.1693336 0.8915837), wk = 0.0026455 k( 291) = ( 0.2608696 0.1766959 0.8826915), wk = 0.0026455 k( 292) = ( 0.2717391 0.1840582 0.8737993), wk = 0.0026455 k( 293) = ( 0.2826087 0.1914205 0.8649071), wk = 0.0026455 k( 294) = ( 0.2934783 0.1987829 0.8560148), wk = 0.0026455 k( 295) = ( 0.3043478 0.2061452 0.8471226), wk = 0.0026455 k( 296) = ( 0.3152174 0.2135075 0.8382304), wk = 0.0026455 k( 297) = ( 0.3260870 0.2208699 0.8293382), wk = 0.0026455 k( 298) = ( 0.3369565 0.2282322 0.8204459), wk = 0.0026455 k( 299) = ( 0.3478261 0.2355945 0.8115537), wk = 0.0026455 k( 300) = ( 0.3586956 0.2429568 0.8026615), wk = 0.0026455 k( 301) = ( 0.3695652 0.2503192 0.7937693), wk = 0.0026455 k( 302) = ( 0.3804348 0.2576815 0.7848770), wk = 0.0026455 k( 303) = ( 0.3913044 0.2650438 0.7759848), wk = 0.0026455 k( 304) = ( 0.4021739 0.2724062 0.7670926), wk = 0.0026455 k( 305) = ( 0.4130435 0.2797685 0.7582004), wk = 0.0026455 k( 306) = ( 0.4239130 0.2871308 0.7493081), wk = 0.0026455 k( 307) = ( 0.4347826 0.2944931 0.7404159), wk = 0.0026455 k( 308) = ( 0.4456522 0.3018555 0.7315237), wk = 0.0026455 k( 309) = ( 0.4565217 0.3092178 0.7226315), wk = 0.0026455 k( 310) = ( 0.4673913 0.3165801 0.7137392), wk = 0.0026455 k( 311) = ( 0.4782609 0.3239425 0.7048470), wk = 0.0026455 k( 312) = ( 0.4891304 0.3313048 0.6959548), wk = 0.0026455 k( 313) = ( 0.5000000 0.3386671 0.6870626), wk = 0.0026455 k( 314) = ( 0.5000000 0.3386671 0.6870626), wk = 0.0026455 k( 315) = ( 0.5000000 0.3386671 0.6714475), wk = 0.0026455 k( 316) = ( 0.5000000 0.3386671 0.6558325), wk = 0.0026455 k( 317) = ( 0.5000000 0.3386671 0.6402174), wk = 0.0026455 k( 318) = ( 0.5000000 0.3386671 0.6246024), wk = 0.0026455 k( 319) = ( 0.5000000 0.3386671 0.6089873), wk = 0.0026455 k( 320) = ( 0.5000000 0.3386671 0.5933722), wk = 0.0026455 k( 321) = ( 0.5000000 0.3386671 0.5777572), wk = 0.0026455 k( 322) = ( 0.5000000 0.3386671 0.5621421), wk = 0.0026455 k( 323) = ( 0.5000000 0.3386671 0.5465271), wk = 0.0026455 k( 324) = ( 0.5000000 0.3386671 0.5309120), wk = 0.0026455 k( 325) = ( 0.5000000 0.3386671 0.5152969), wk = 0.0026455 k( 326) = ( 0.5000000 0.3386671 0.4996819), wk = 0.0026455 k( 327) = ( 0.5000000 0.3386671 0.4840668), wk = 0.0026455 k( 328) = ( 0.5000000 0.3386671 0.4684518), wk = 0.0026455 k( 329) = ( 0.5000000 0.3386671 0.4528367), wk = 0.0026455 k( 330) = ( 0.5000000 0.3386671 0.4372217), wk = 0.0026455 k( 331) = ( 0.5000000 0.3386671 0.4216066), wk = 0.0026455 k( 332) = ( 0.5000000 0.3386671 0.4059915), wk = 0.0026455 k( 333) = ( 0.5000000 0.3386671 0.3903765), wk = 0.0026455 k( 334) = ( 0.5000000 0.3386671 0.3747614), wk = 0.0026455 k( 335) = ( 0.5000000 0.3386671 0.3591464), wk = 0.0026455 k( 336) = ( 0.5000000 0.3386671 0.3435313), wk = 0.0026455 k( 337) = ( 0.5000000 0.3386671 0.3279162), wk = 0.0026455 k( 338) = ( 0.5000000 0.3386671 0.3123012), wk = 0.0026455 k( 339) = ( 0.5000000 0.3386671 0.2966861), wk = 0.0026455 k( 340) = ( 0.5000000 0.3386671 0.2810711), wk = 0.0026455 k( 341) = ( 0.5000000 0.3386671 0.2654560), wk = 0.0026455 k( 342) = ( 0.5000000 0.3386671 0.2498409), wk = 0.0026455 k( 343) = ( 0.5000000 0.3386671 0.2342259), wk = 0.0026455 k( 344) = ( 0.5000000 0.3386671 0.2186108), wk = 0.0026455 k( 345) = ( 0.5000000 0.3386671 0.2029958), wk = 0.0026455 k( 346) = ( 0.5000000 0.3386671 0.1873807), wk = 0.0026455 k( 347) = ( 0.5000000 0.3386671 0.1717657), wk = 0.0026455 k( 348) = ( 0.5000000 0.3386671 0.1561506), wk = 0.0026455 k( 349) = ( 0.5000000 0.3386671 0.1405355), wk = 0.0026455 k( 350) = ( 0.5000000 0.3386671 0.1249205), wk = 0.0026455 k( 351) = ( 0.5000000 0.3386671 0.1093054), wk = 0.0026455 k( 352) = ( 0.5000000 0.3386671 0.0936903), wk = 0.0026455 k( 353) = ( 0.5000000 0.3386671 0.0780753), wk = 0.0026455 k( 354) = ( 0.5000000 0.3386671 0.0624602), wk = 0.0026455 k( 355) = ( 0.5000000 0.3386671 0.0468452), wk = 0.0026455 k( 356) = ( 0.5000000 0.3386671 0.0312301), wk = 0.0026455 k( 357) = ( 0.5000000 0.3386671 0.0156151), wk = 0.0026455 k( 358) = ( 0.5000000 0.3386671 0.0000000), wk = 0.0026455 k( 359) = ( 0.0000000 0.0000000 0.8915837), wk = 0.0026455 k( 360) = ( 0.0131579 0.0089123 0.8915837), wk = 0.0026455 k( 361) = ( 0.0263158 0.0178246 0.8915837), wk = 0.0026455 k( 362) = ( 0.0394737 0.0267369 0.8915837), wk = 0.0026455 k( 363) = ( 0.0526316 0.0356492 0.8915837), wk = 0.0026455 k( 364) = ( 0.0657895 0.0445615 0.8915837), wk = 0.0026455 k( 365) = ( 0.0789474 0.0534738 0.8915837), wk = 0.0026455 k( 366) = ( 0.0921053 0.0623860 0.8915837), wk = 0.0026455 k( 367) = ( 0.1052632 0.0712983 0.8915837), wk = 0.0026455 k( 368) = ( 0.1184210 0.0802106 0.8915837), wk = 0.0026455 k( 369) = ( 0.1315790 0.0891229 0.8915837), wk = 0.0026455 k( 370) = ( 0.1447368 0.0980352 0.8915837), wk = 0.0026455 k( 371) = ( 0.1578947 0.1069475 0.8915837), wk = 0.0026455 k( 372) = ( 0.1710526 0.1158598 0.8915837), wk = 0.0026455 k( 373) = ( 0.1842105 0.1247721 0.8915837), wk = 0.0026455 k( 374) = ( 0.1973684 0.1336844 0.8915837), wk = 0.0026455 k( 375) = ( 0.2105263 0.1425967 0.8915837), wk = 0.0026455 k( 376) = ( 0.2236842 0.1515090 0.8915837), wk = 0.0026455 k( 377) = ( 0.2368421 0.1604213 0.8915837), wk = 0.0026455 k( 378) = ( 0.2500000 0.1693336 0.8915837), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0438596), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2192982), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.2807017), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.4561403), wk = 0.0026455 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0026455 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026455 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0026455 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0026455 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 60) = ( -0.0088227 0.0088227 0.5000000), wk = 0.0026455 k( 61) = ( -0.0176455 0.0176455 0.5000000), wk = 0.0026455 k( 62) = ( -0.0264682 0.0264682 0.5000000), wk = 0.0026455 k( 63) = ( -0.0352909 0.0352909 0.5000000), wk = 0.0026455 k( 64) = ( -0.0441136 0.0441136 0.5000000), wk = 0.0026455 k( 65) = ( -0.0529363 0.0529363 0.5000000), wk = 0.0026455 k( 66) = ( -0.0617591 0.0617591 0.5000000), wk = 0.0026455 k( 67) = ( -0.0705818 0.0705818 0.5000000), wk = 0.0026455 k( 68) = ( -0.0794045 0.0794045 0.5000000), wk = 0.0026455 k( 69) = ( -0.0882272 0.0882272 0.5000000), wk = 0.0026455 k( 70) = ( -0.0970500 0.0970500 0.5000000), wk = 0.0026455 k( 71) = ( -0.1058727 0.1058727 0.5000000), wk = 0.0026455 k( 72) = ( -0.1146954 0.1146954 0.5000000), wk = 0.0026455 k( 73) = ( -0.1146954 0.1146954 0.5000000), wk = 0.0026455 k( 74) = ( -0.1209100 0.1209100 0.4937854), wk = 0.0026455 k( 75) = ( -0.1271246 0.1271246 0.4875708), wk = 0.0026455 k( 76) = ( -0.1333392 0.1333392 0.4813562), wk = 0.0026455 k( 77) = ( -0.1395538 0.1395538 0.4751416), wk = 0.0026455 k( 78) = ( -0.1457684 0.1457684 0.4689270), wk = 0.0026455 k( 79) = ( -0.1519830 0.1519829 0.4627125), wk = 0.0026455 k( 80) = ( -0.1581975 0.1581975 0.4564979), wk = 0.0026455 k( 81) = ( -0.1644121 0.1644121 0.4502833), wk = 0.0026455 k( 82) = ( -0.1706267 0.1706267 0.4440687), wk = 0.0026455 k( 83) = ( -0.1768413 0.1768413 0.4378541), wk = 0.0026455 k( 84) = ( -0.1830559 0.1830559 0.4316395), wk = 0.0026455 k( 85) = ( -0.1892705 0.1892705 0.4254249), wk = 0.0026455 k( 86) = ( -0.1954851 0.1954851 0.4192103), wk = 0.0026455 k( 87) = ( -0.2016997 0.2016997 0.4129957), wk = 0.0026455 k( 88) = ( -0.2079143 0.2079143 0.4067811), wk = 0.0026455 k( 89) = ( -0.2141289 0.2141288 0.4005666), wk = 0.0026455 k( 90) = ( -0.2203434 0.2203434 0.3943520), wk = 0.0026455 k( 91) = ( -0.2265580 0.2265580 0.3881374), wk = 0.0026455 k( 92) = ( -0.2327726 0.2327726 0.3819228), wk = 0.0026455 k( 93) = ( -0.2389872 0.2389872 0.3757082), wk = 0.0026455 k( 94) = ( -0.2452018 0.2452018 0.3694936), wk = 0.0026455 k( 95) = ( -0.2514164 0.2514164 0.3632790), wk = 0.0026455 k( 96) = ( -0.2576310 0.2576310 0.3570644), wk = 0.0026455 k( 97) = ( -0.2638456 0.2638456 0.3508498), wk = 0.0026455 k( 98) = ( -0.2700602 0.2700602 0.3446352), wk = 0.0026455 k( 99) = ( -0.2762748 0.2762748 0.3384207), wk = 0.0026455 k( 100) = ( -0.2824893 0.2824893 0.3322061), wk = 0.0026455 k( 101) = ( -0.2887039 0.2887039 0.3259915), wk = 0.0026455 k( 102) = ( -0.2949185 0.2949185 0.3197769), wk = 0.0026455 k( 103) = ( -0.3011331 0.3011331 0.3135623), wk = 0.0026455 k( 104) = ( -0.3073477 0.3073477 0.3073477), wk = 0.0026455 k( 105) = ( -0.3073477 0.3073477 0.3073477), wk = 0.0026455 k( 106) = ( -0.3010753 0.3010753 0.3010753), wk = 0.0026455 k( 107) = ( -0.2948029 0.2948029 0.2948029), wk = 0.0026455 k( 108) = ( -0.2885305 0.2885305 0.2885305), wk = 0.0026455 k( 109) = ( -0.2822581 0.2822581 0.2822581), wk = 0.0026455 k( 110) = ( -0.2759857 0.2759857 0.2759857), wk = 0.0026455 k( 111) = ( -0.2697133 0.2697133 0.2697133), wk = 0.0026455 k( 112) = ( -0.2634409 0.2634409 0.2634409), wk = 0.0026455 k( 113) = ( -0.2571685 0.2571685 0.2571685), wk = 0.0026455 k( 114) = ( -0.2508961 0.2508961 0.2508961), wk = 0.0026455 k( 115) = ( -0.2446237 0.2446237 0.2446237), wk = 0.0026455 k( 116) = ( -0.2383513 0.2383513 0.2383513), wk = 0.0026455 k( 117) = ( -0.2320789 0.2320789 0.2320789), wk = 0.0026455 k( 118) = ( -0.2258065 0.2258065 0.2258065), wk = 0.0026455 k( 119) = ( -0.2195341 0.2195341 0.2195341), wk = 0.0026455 k( 120) = ( -0.2132617 0.2132617 0.2132617), wk = 0.0026455 k( 121) = ( -0.2069893 0.2069893 0.2069893), wk = 0.0026455 k( 122) = ( -0.2007169 0.2007169 0.2007169), wk = 0.0026455 k( 123) = ( -0.1944445 0.1944445 0.1944445), wk = 0.0026455 k( 124) = ( -0.1881721 0.1881721 0.1881721), wk = 0.0026455 k( 125) = ( -0.1818997 0.1818997 0.1818997), wk = 0.0026455 k( 126) = ( -0.1756273 0.1756273 0.1756273), wk = 0.0026455 k( 127) = ( -0.1693549 0.1693549 0.1693549), wk = 0.0026455 k( 128) = ( -0.1630825 0.1630825 0.1630825), wk = 0.0026455 k( 129) = ( -0.1568101 0.1568101 0.1568100), wk = 0.0026455 k( 130) = ( -0.1505376 0.1505376 0.1505376), wk = 0.0026455 k( 131) = ( -0.1442653 0.1442653 0.1442652), wk = 0.0026455 k( 132) = ( -0.1379929 0.1379929 0.1379929), wk = 0.0026455 k( 133) = ( -0.1317204 0.1317204 0.1317204), wk = 0.0026455 k( 134) = ( -0.1254480 0.1254480 0.1254480), wk = 0.0026455 k( 135) = ( -0.1191756 0.1191756 0.1191756), wk = 0.0026455 k( 136) = ( -0.1129032 0.1129032 0.1129032), wk = 0.0026455 k( 137) = ( -0.1066308 0.1066308 0.1066308), wk = 0.0026455 k( 138) = ( -0.1003584 0.1003584 0.1003584), wk = 0.0026455 k( 139) = ( -0.0940860 0.0940860 0.0940860), wk = 0.0026455 k( 140) = ( -0.0878136 0.0878136 0.0878136), wk = 0.0026455 k( 141) = ( -0.0815412 0.0815412 0.0815412), wk = 0.0026455 k( 142) = ( -0.0752688 0.0752688 0.0752688), wk = 0.0026455 k( 143) = ( -0.0689964 0.0689964 0.0689964), wk = 0.0026455 k( 144) = ( -0.0627240 0.0627240 0.0627240), wk = 0.0026455 k( 145) = ( -0.0564516 0.0564516 0.0564516), wk = 0.0026455 k( 146) = ( -0.0501792 0.0501792 0.0501792), wk = 0.0026455 k( 147) = ( -0.0439068 0.0439068 0.0439068), wk = 0.0026455 k( 148) = ( -0.0376344 0.0376344 0.0376344), wk = 0.0026455 k( 149) = ( -0.0313620 0.0313620 0.0313620), wk = 0.0026455 k( 150) = ( -0.0250896 0.0250896 0.0250896), wk = 0.0026455 k( 151) = ( -0.0188172 0.0188172 0.0188172), wk = 0.0026455 k( 152) = ( -0.0125448 0.0125448 0.0125448), wk = 0.0026455 k( 153) = ( -0.0062724 0.0062724 0.0062724), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 156) = ( 0.0131579 0.0131579 -0.0131579), wk = 0.0026455 k( 157) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0026455 k( 158) = ( 0.0394737 0.0394737 -0.0394737), wk = 0.0026455 k( 159) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0026455 k( 160) = ( 0.0657895 0.0657895 -0.0657895), wk = 0.0026455 k( 161) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0026455 k( 162) = ( 0.0921053 0.0921053 -0.0921053), wk = 0.0026455 k( 163) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0026455 k( 164) = ( 0.1184210 0.1184210 -0.1184210), wk = 0.0026455 k( 165) = ( 0.1315790 0.1315790 -0.1315789), wk = 0.0026455 k( 166) = ( 0.1447368 0.1447368 -0.1447368), wk = 0.0026455 k( 167) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0026455 k( 168) = ( 0.1710526 0.1710526 -0.1710526), wk = 0.0026455 k( 169) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0026455 k( 170) = ( 0.1973684 0.1973684 -0.1973684), wk = 0.0026455 k( 171) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0026455 k( 172) = ( 0.2236842 0.2236842 -0.2236842), wk = 0.0026455 k( 173) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0026455 k( 174) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026455 k( 175) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0026455 k( 176) = ( 0.2763158 0.2763158 -0.2763158), wk = 0.0026455 k( 177) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0026455 k( 178) = ( 0.3026316 0.3026316 -0.3026316), wk = 0.0026455 k( 179) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0026455 k( 180) = ( 0.3289474 0.3289474 -0.3289474), wk = 0.0026455 k( 181) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0026455 k( 182) = ( 0.3552632 0.3552632 -0.3552632), wk = 0.0026455 k( 183) = ( 0.3684211 0.3684210 -0.3684210), wk = 0.0026455 k( 184) = ( 0.3815789 0.3815789 -0.3815790), wk = 0.0026455 k( 185) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0026455 k( 186) = ( 0.4078947 0.4078947 -0.4078947), wk = 0.0026455 k( 187) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0026455 k( 188) = ( 0.4342105 0.4342105 -0.4342105), wk = 0.0026455 k( 189) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0026455 k( 190) = ( 0.4605263 0.4605263 -0.4605263), wk = 0.0026455 k( 191) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0026455 k( 192) = ( 0.4868421 0.4868421 -0.4868421), wk = 0.0026455 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 195) = ( 0.4937854 0.5062146 -0.4937854), wk = 0.0026455 k( 196) = ( 0.4875708 0.5124292 -0.4875708), wk = 0.0026455 k( 197) = ( 0.4813562 0.5186438 -0.4813562), wk = 0.0026455 k( 198) = ( 0.4751416 0.5248584 -0.4751416), wk = 0.0026455 k( 199) = ( 0.4689271 0.5310729 -0.4689271), wk = 0.0026455 k( 200) = ( 0.4627125 0.5372875 -0.4627125), wk = 0.0026455 k( 201) = ( 0.4564979 0.5435021 -0.4564979), wk = 0.0026455 k( 202) = ( 0.4502833 0.5497167 -0.4502833), wk = 0.0026455 k( 203) = ( 0.4440687 0.5559313 -0.4440687), wk = 0.0026455 k( 204) = ( 0.4378541 0.5621459 -0.4378541), wk = 0.0026455 k( 205) = ( 0.4316395 0.5683605 -0.4316395), wk = 0.0026455 k( 206) = ( 0.4254249 0.5745751 -0.4254249), wk = 0.0026455 k( 207) = ( 0.4192103 0.5807897 -0.4192103), wk = 0.0026455 k( 208) = ( 0.4129957 0.5870043 -0.4129957), wk = 0.0026455 k( 209) = ( 0.4067811 0.5932188 -0.4067811), wk = 0.0026455 k( 210) = ( 0.4005666 0.5994334 -0.4005666), wk = 0.0026455 k( 211) = ( 0.3943520 0.6056480 -0.3943520), wk = 0.0026455 k( 212) = ( 0.3881374 0.6118626 -0.3881374), wk = 0.0026455 k( 213) = ( 0.3819228 0.6180772 -0.3819228), wk = 0.0026455 k( 214) = ( 0.3757082 0.6242918 -0.3757082), wk = 0.0026455 k( 215) = ( 0.3694936 0.6305064 -0.3694936), wk = 0.0026455 k( 216) = ( 0.3632790 0.6367210 -0.3632790), wk = 0.0026455 k( 217) = ( 0.3570644 0.6429356 -0.3570644), wk = 0.0026455 k( 218) = ( 0.3508498 0.6491502 -0.3508498), wk = 0.0026455 k( 219) = ( 0.3446353 0.6553648 -0.3446353), wk = 0.0026455 k( 220) = ( 0.3384207 0.6615793 -0.3384207), wk = 0.0026455 k( 221) = ( 0.3322061 0.6677939 -0.3322061), wk = 0.0026455 k( 222) = ( 0.3259915 0.6740085 -0.3259915), wk = 0.0026455 k( 223) = ( 0.3197769 0.6802231 -0.3197769), wk = 0.0026455 k( 224) = ( 0.3135623 0.6864377 -0.3135623), wk = 0.0026455 k( 225) = ( 0.3073477 0.6926523 -0.3073477), wk = 0.0026455 k( 226) = ( 0.3073477 0.6926523 -0.3073477), wk = 0.0026455 k( 227) = ( 0.2933774 0.6838954 -0.2933774), wk = 0.0026455 k( 228) = ( 0.2794070 0.6751384 -0.2794070), wk = 0.0026455 k( 229) = ( 0.2654367 0.6663815 -0.2654367), wk = 0.0026455 k( 230) = ( 0.2514663 0.6576246 -0.2514663), wk = 0.0026455 k( 231) = ( 0.2374960 0.6488677 -0.2374960), wk = 0.0026455 k( 232) = ( 0.2235256 0.6401108 -0.2235256), wk = 0.0026455 k( 233) = ( 0.2095552 0.6313538 -0.2095552), wk = 0.0026455 k( 234) = ( 0.1955849 0.6225969 -0.1955849), wk = 0.0026455 k( 235) = ( 0.1816146 0.6138400 -0.1816146), wk = 0.0026455 k( 236) = ( 0.1676442 0.6050831 -0.1676442), wk = 0.0026455 k( 237) = ( 0.1536739 0.5963261 -0.1536738), wk = 0.0026455 k( 238) = ( 0.1397035 0.5875692 -0.1397035), wk = 0.0026455 k( 239) = ( 0.1257331 0.5788123 -0.1257332), wk = 0.0026455 k( 240) = ( 0.1117628 0.5700554 -0.1117628), wk = 0.0026455 k( 241) = ( 0.0977925 0.5612985 -0.0977925), wk = 0.0026455 k( 242) = ( 0.0838221 0.5525415 -0.0838221), wk = 0.0026455 k( 243) = ( 0.0698518 0.5437846 -0.0698517), wk = 0.0026455 k( 244) = ( 0.0558814 0.5350277 -0.0558814), wk = 0.0026455 k( 245) = ( 0.0419110 0.5262708 -0.0419110), wk = 0.0026455 k( 246) = ( 0.0279407 0.5175138 -0.0279407), wk = 0.0026455 k( 247) = ( 0.0139703 0.5087569 -0.0139703), wk = 0.0026455 k( 248) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 249) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 250) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0026455 k( 251) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0026455 k( 252) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0026455 k( 253) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0026455 k( 254) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0026455 k( 255) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0026455 k( 256) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0026455 k( 257) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0026455 k( 258) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0026455 k( 259) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026455 k( 260) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0026455 k( 261) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0026455 k( 262) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0026455 k( 263) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0026455 k( 264) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0026455 k( 265) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0026455 k( 266) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0026455 k( 267) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0026455 k( 268) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0026455 k( 269) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026455 k( 270) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0026455 k( 271) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0026455 k( 272) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0026455 k( 273) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0026455 k( 274) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0026455 k( 275) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0026455 k( 276) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0026455 k( 277) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0026455 k( 278) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0026455 k( 279) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026455 k( 280) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0026455 k( 281) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0026455 k( 282) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0026455 k( 283) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0026455 k( 284) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0026455 k( 285) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0026455 k( 286) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0026455 k( 287) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0026455 k( 288) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0026455 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2608696 0.2608696 0.2341437), wk = 0.0026455 k( 292) = ( 0.2717391 0.2717391 0.2182874), wk = 0.0026455 k( 293) = ( 0.2826087 0.2826087 0.2024310), wk = 0.0026455 k( 294) = ( 0.2934783 0.2934783 0.1865747), wk = 0.0026455 k( 295) = ( 0.3043478 0.3043478 0.1707184), wk = 0.0026455 k( 296) = ( 0.3152174 0.3152174 0.1548621), wk = 0.0026455 k( 297) = ( 0.3260870 0.3260870 0.1390057), wk = 0.0026455 k( 298) = ( 0.3369565 0.3369565 0.1231494), wk = 0.0026455 k( 299) = ( 0.3478261 0.3478261 0.1072931), wk = 0.0026455 k( 300) = ( 0.3586956 0.3586956 0.0914368), wk = 0.0026455 k( 301) = ( 0.3695652 0.3695652 0.0755805), wk = 0.0026455 k( 302) = ( 0.3804348 0.3804348 0.0597241), wk = 0.0026455 k( 303) = ( 0.3913044 0.3913044 0.0438678), wk = 0.0026455 k( 304) = ( 0.4021739 0.4021739 0.0280115), wk = 0.0026455 k( 305) = ( 0.4130435 0.4130435 0.0121552), wk = 0.0026455 k( 306) = ( 0.4239130 0.4239130 -0.0037012), wk = 0.0026455 k( 307) = ( 0.4347826 0.4347826 -0.0195575), wk = 0.0026455 k( 308) = ( 0.4456522 0.4456522 -0.0354138), wk = 0.0026455 k( 309) = ( 0.4565217 0.4565217 -0.0512701), wk = 0.0026455 k( 310) = ( 0.4673913 0.4673913 -0.0671264), wk = 0.0026455 k( 311) = ( 0.4782609 0.4782609 -0.0829828), wk = 0.0026455 k( 312) = ( 0.4891304 0.4891304 -0.0988391), wk = 0.0026455 k( 313) = ( 0.5000000 0.5000000 -0.1146954), wk = 0.0026455 k( 314) = ( 0.5000000 0.5000000 -0.1146954), wk = 0.0026455 k( 315) = ( 0.5000000 0.5000000 -0.1234523), wk = 0.0026455 k( 316) = ( 0.5000000 0.5000000 -0.1322093), wk = 0.0026455 k( 317) = ( 0.5000000 0.5000000 -0.1409662), wk = 0.0026455 k( 318) = ( 0.5000000 0.5000000 -0.1497231), wk = 0.0026455 k( 319) = ( 0.5000000 0.5000000 -0.1584800), wk = 0.0026455 k( 320) = ( 0.5000000 0.5000000 -0.1672370), wk = 0.0026455 k( 321) = ( 0.5000000 0.5000000 -0.1759939), wk = 0.0026455 k( 322) = ( 0.5000000 0.5000000 -0.1847508), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.1935077), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.2022646), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.2110216), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2197785), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2285354), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2372923), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2460492), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2548062), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2635631), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2723200), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.2810769), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.2898339), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.2985908), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.3073477), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.3161046), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3248615), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3336185), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3423754), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3511323), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3598892), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.3686462), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.3774031), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.3861600), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.3949169), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.4036739), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.4124308), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.4211877), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4299446), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4387015), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4474585), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.4562154), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 -0.4649723), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 -0.4737292), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 -0.4824862), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 -0.4912431), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 359) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 360) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0026455 k( 361) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0026455 k( 362) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0026455 k( 363) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0026455 k( 364) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0026455 k( 365) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0026455 k( 366) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0026455 k( 367) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0026455 k( 368) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0026455 k( 369) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0026455 k( 370) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0026455 k( 371) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0026455 k( 372) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0026455 k( 373) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0026455 k( 374) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0026455 k( 375) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0026455 k( 376) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0026455 k( 377) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 62023 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 448, 36) NL pseudopotentials 0.33 Mb ( 224, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1723) G-vector shells 0.01 Mb ( 798) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 448, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) The potential is recalculated from file : ./LiAg.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.0 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.5 secs Computing kpt #: 25 total cpu time spent up to now is 14.9 secs Computing kpt #: 26 total cpu time spent up to now is 15.4 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.6 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.4 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.4 secs Computing kpt #: 40 total cpu time spent up to now is 21.8 secs Computing kpt #: 41 total cpu time spent up to now is 22.2 secs Computing kpt #: 42 total cpu time spent up to now is 22.7 secs Computing kpt #: 43 total cpu time spent up to now is 23.1 secs Computing kpt #: 44 total cpu time spent up to now is 23.5 secs Computing kpt #: 45 total cpu time spent up to now is 23.9 secs Computing kpt #: 46 total cpu time spent up to now is 24.3 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.6 secs Computing kpt #: 50 total cpu time spent up to now is 26.0 secs Computing kpt #: 51 total cpu time spent up to now is 26.4 secs Computing kpt #: 52 total cpu time spent up to now is 26.8 secs Computing kpt #: 53 total cpu time spent up to now is 27.2 secs Computing kpt #: 54 total cpu time spent up to now is 27.6 secs Computing kpt #: 55 total cpu time spent up to now is 28.0 secs Computing kpt #: 56 total cpu time spent up to now is 28.4 secs Computing kpt #: 57 total cpu time spent up to now is 28.8 secs Computing kpt #: 58 total cpu time spent up to now is 29.2 secs Computing kpt #: 59 total cpu time spent up to now is 29.6 secs Computing kpt #: 60 total cpu time spent up to now is 30.0 secs Computing kpt #: 61 total cpu time spent up to now is 30.4 secs Computing kpt #: 62 total cpu time spent up to now is 30.8 secs Computing kpt #: 63 total cpu time spent up to now is 31.2 secs Computing kpt #: 64 total cpu time spent up to now is 31.6 secs Computing kpt #: 65 total cpu time spent up to now is 32.1 secs Computing kpt #: 66 total cpu time spent up to now is 32.5 secs Computing kpt #: 67 total cpu time spent up to now is 32.9 secs Computing kpt #: 68 total cpu time spent up to now is 33.3 secs Computing kpt #: 69 total cpu time spent up to now is 33.8 secs Computing kpt #: 70 total cpu time spent up to now is 34.2 secs Computing kpt #: 71 total cpu time spent up to now is 34.6 secs Computing kpt #: 72 total cpu time spent up to now is 35.1 secs Computing kpt #: 73 total cpu time spent up to now is 35.5 secs Computing kpt #: 74 total cpu time spent up to now is 35.9 secs Computing kpt #: 75 total cpu time spent up to now is 36.4 secs Computing kpt #: 76 total cpu time spent up to now is 36.8 secs Computing kpt #: 77 total cpu time spent up to now is 37.3 secs Computing kpt #: 78 total cpu time spent up to now is 37.7 secs Computing kpt #: 79 total cpu time spent up to now is 38.2 secs Computing kpt #: 80 total cpu time spent up to now is 38.6 secs Computing kpt #: 81 total cpu time spent up to now is 39.1 secs Computing kpt #: 82 total cpu time spent up to now is 39.6 secs Computing kpt #: 83 total cpu time spent up to now is 40.0 secs Computing kpt #: 84 total cpu time spent up to now is 40.5 secs Computing kpt #: 85 total cpu time spent up to now is 41.0 secs Computing kpt #: 86 total cpu time spent up to now is 41.5 secs Computing kpt #: 87 total cpu time spent up to now is 42.0 secs Computing kpt #: 88 total cpu time spent up to now is 42.4 secs Computing kpt #: 89 total cpu time spent up to now is 42.9 secs Computing kpt #: 90 total cpu time spent up to now is 43.4 secs Computing kpt #: 91 total cpu time spent up to now is 43.8 secs Computing kpt #: 92 total cpu time spent up to now is 44.3 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.3 secs Computing kpt #: 95 total cpu time spent up to now is 45.7 secs Computing kpt #: 96 total cpu time spent up to now is 46.2 secs Computing kpt #: 97 total cpu time spent up to now is 46.7 secs Computing kpt #: 98 total cpu time spent up to now is 47.1 secs Computing kpt #: 99 total cpu time spent up to now is 47.6 secs Computing kpt #: 100 total cpu 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54.8 secs Computing kpt #: 116 total cpu time spent up to now is 55.3 secs Computing kpt #: 117 total cpu time spent up to now is 55.7 secs Computing kpt #: 118 total cpu time spent up to now is 56.2 secs Computing kpt #: 119 total cpu time spent up to now is 56.7 secs Computing kpt #: 120 total cpu time spent up to now is 57.2 secs Computing kpt #: 121 total cpu time spent up to now is 57.6 secs Computing kpt #: 122 total cpu time spent up to now is 58.1 secs Computing kpt #: 123 total cpu time spent up to now is 58.6 secs Computing kpt #: 124 total cpu time spent up to now is 59.2 secs Computing kpt #: 125 total cpu time spent up to now is 59.7 secs Computing kpt #: 126 total cpu time spent up to now is 60.2 secs Computing kpt #: 127 total cpu time spent up to now is 60.7 secs Computing kpt #: 128 total cpu time spent up to now is 61.2 secs Computing kpt #: 129 total cpu time spent up to now is 61.7 secs Computing kpt #: 130 total cpu time spent up to now is 62.1 secs Computing kpt 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spent up to now is 70.0 secs Computing kpt #: 147 total cpu time spent up to now is 70.5 secs Computing kpt #: 148 total cpu time spent up to now is 71.1 secs Computing kpt #: 149 total cpu time spent up to now is 71.6 secs Computing kpt #: 150 total cpu time spent up to now is 72.1 secs Computing kpt #: 151 total cpu time spent up to now is 72.7 secs Computing kpt #: 152 total cpu time spent up to now is 73.2 secs Computing kpt #: 153 total cpu time spent up to now is 73.7 secs Computing kpt #: 154 total cpu time spent up to now is 74.2 secs Computing kpt #: 155 total cpu time spent up to now is 74.8 secs Computing kpt #: 156 total cpu time spent up to now is 75.3 secs Computing kpt #: 157 total cpu time spent up to now is 75.8 secs Computing kpt #: 158 total cpu time spent up to now is 76.3 secs Computing kpt #: 159 total cpu time spent up to now is 76.8 secs Computing kpt #: 160 total cpu time spent up to now is 77.3 secs Computing kpt #: 161 total cpu time spent up to now is 77.8 secs Computing kpt #: 162 total cpu time spent up to now is 78.4 secs Computing kpt #: 163 total cpu time spent up to now is 78.9 secs Computing kpt #: 164 total cpu time spent up to now is 79.4 secs Computing kpt #: 165 total cpu time spent up to now is 79.9 secs Computing kpt #: 166 total cpu time spent up to now is 80.5 secs Computing kpt #: 167 total cpu time spent up to now is 81.0 secs Computing kpt #: 168 total cpu time spent up to now is 81.5 secs Computing kpt #: 169 total cpu time spent up to now is 82.1 secs Computing kpt #: 170 total cpu time spent up to now is 82.7 secs Computing kpt #: 171 total cpu time spent up to now is 83.3 secs Computing kpt #: 172 total cpu time spent up to now is 83.9 secs Computing kpt #: 173 total cpu time spent up to now is 84.5 secs Computing kpt #: 174 total cpu time spent up to now is 85.1 secs Computing kpt #: 175 total cpu time spent up to now is 85.6 secs Computing kpt #: 176 total cpu time spent up to now is 86.2 secs Computing kpt #: 177 total cpu time spent up to now is 86.7 secs Computing kpt #: 178 total cpu time spent up to now is 87.2 secs Computing kpt #: 179 total cpu time spent up to now is 87.6 secs Computing kpt #: 180 total cpu time spent up to now is 88.1 secs Computing kpt #: 181 total cpu time spent up to now is 88.6 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.5 secs Computing kpt #: 184 total cpu time spent up to now is 90.0 secs Computing kpt #: 185 total cpu time spent up to now is 90.4 secs Computing kpt #: 186 total cpu time spent up to now is 90.9 secs Computing kpt #: 187 total cpu time spent up to now is 91.4 secs Computing kpt #: 188 total cpu time spent up to now is 91.8 secs Computing kpt #: 189 total cpu time spent up to now is 92.2 secs Computing kpt #: 190 total cpu time spent up to now is 92.7 secs Computing kpt #: 191 total cpu time spent up to now is 93.1 secs Computing kpt #: 192 total cpu time spent up to now is 93.6 secs Computing kpt #: 193 total cpu time spent up to now is 94.0 secs Computing kpt #: 194 total cpu time spent up to now is 94.4 secs Computing kpt #: 195 total cpu time spent up to now is 94.9 secs Computing kpt #: 196 total cpu time spent up to now is 95.3 secs Computing kpt #: 197 total cpu time spent up to now is 95.8 secs Computing kpt #: 198 total cpu time spent up to now is 96.3 secs Computing kpt #: 199 total cpu time spent up to now is 96.7 secs Computing kpt #: 200 total cpu time spent up to now is 97.2 secs Computing kpt #: 201 total cpu time spent up to now is 97.7 secs Computing kpt #: 202 total cpu time spent up to now is 98.1 secs Computing kpt #: 203 total cpu time spent up to now is 98.6 secs Computing kpt #: 204 total cpu time spent up to now is 99.1 secs Computing kpt #: 205 total cpu time spent up to now is 99.6 secs Computing kpt #: 206 total cpu time spent up to now is 100.1 secs Computing kpt #: 207 total cpu time spent up to now is 100.7 secs Computing kpt #: 208 total cpu time spent up to now is 101.2 secs Computing kpt #: 209 total cpu time spent up to now is 101.7 secs Computing kpt #: 210 total cpu time spent up to now is 102.2 secs Computing kpt #: 211 total cpu time spent up to now is 102.7 secs Computing kpt #: 212 total cpu time spent up to now is 103.1 secs Computing kpt #: 213 total cpu time spent up to now is 103.6 secs Computing kpt #: 214 total cpu time spent up to now is 104.1 secs Computing kpt #: 215 total cpu time spent up to now is 104.5 secs Computing kpt #: 216 total cpu time spent up to now is 105.0 secs Computing kpt #: 217 total cpu time spent up to now is 105.4 secs Computing kpt #: 218 total cpu time spent up to now is 105.9 secs Computing kpt #: 219 total cpu time spent up to now is 106.3 secs Computing kpt #: 220 total cpu time spent up to now is 106.9 secs Computing kpt #: 221 total cpu time spent up to now is 107.4 secs Computing kpt #: 222 total cpu time spent up to now is 107.8 secs Computing kpt #: 223 total cpu time spent up to now is 108.3 secs Computing kpt #: 224 total cpu time spent up to now is 108.7 secs Computing kpt #: 225 total cpu time spent up to now is 109.2 secs Computing kpt #: 226 total cpu time spent up to now is 109.6 secs Computing kpt #: 227 total cpu time spent up to now is 110.1 secs Computing kpt #: 228 total cpu time spent up to now is 110.5 secs Computing kpt #: 229 total cpu time spent up to now is 111.0 secs Computing kpt #: 230 total cpu time spent up to now is 111.4 secs Computing kpt #: 231 total cpu time spent up to now is 111.9 secs Computing kpt #: 232 total cpu time spent up to now is 112.3 secs Computing kpt #: 233 total cpu time spent up to now is 112.8 secs Computing kpt #: 234 total cpu time spent up to now is 113.3 secs Computing kpt #: 235 total cpu time spent up to now is 113.8 secs Computing kpt #: 236 total cpu time spent up to now is 114.4 secs Computing kpt #: 237 total cpu time spent up to now is 115.0 secs Computing kpt #: 238 total cpu time spent up to now is 115.5 secs Computing kpt #: 239 total cpu time spent up to now is 115.9 secs Computing kpt #: 240 total cpu time spent up to now is 116.4 secs Computing kpt #: 241 total cpu time spent up to now is 116.8 secs Computing kpt #: 242 total cpu time spent up to now is 117.2 secs Computing kpt #: 243 total cpu time spent up to now is 117.7 secs Computing kpt #: 244 total cpu time spent up to now is 118.1 secs Computing kpt #: 245 total cpu time spent up to now is 118.5 secs Computing kpt #: 246 total cpu time spent up to now is 119.0 secs Computing kpt #: 247 total cpu time spent up to now is 119.4 secs Computing kpt #: 248 total cpu time spent up to now is 119.8 secs Computing kpt #: 249 total cpu time spent up to now is 120.2 secs Computing kpt #: 250 total cpu time spent up to now is 120.6 secs Computing kpt #: 251 total cpu time spent up to now is 121.1 secs Computing kpt #: 252 total cpu time spent up to now is 121.5 secs Computing kpt #: 253 total cpu time spent up to now is 121.9 secs Computing kpt #: 254 total cpu time spent up to now is 122.3 secs Computing kpt #: 255 total cpu time spent up to now is 122.8 secs Computing kpt #: 256 total cpu time spent up to now is 123.2 secs Computing kpt #: 257 total cpu time spent up to now is 123.6 secs Computing kpt #: 258 total cpu time spent up to now is 124.0 secs Computing kpt #: 259 total cpu time spent up to now is 124.4 secs Computing kpt #: 260 total cpu time spent up to now is 124.9 secs Computing kpt #: 261 total cpu time spent up to now is 125.3 secs Computing kpt #: 262 total cpu time spent up to now is 125.7 secs Computing kpt #: 263 total cpu time spent up to now is 126.2 secs Computing kpt #: 264 total cpu time spent up to now is 126.6 secs Computing kpt #: 265 total cpu time spent up to now is 127.0 secs Computing kpt #: 266 total cpu time spent up to now is 127.5 secs Computing kpt #: 267 total cpu time spent up to now is 127.9 secs Computing kpt #: 268 total cpu time spent up to now is 128.3 secs Computing kpt #: 269 total cpu time spent up to now is 128.8 secs Computing kpt #: 270 total cpu time spent up to now is 129.2 secs Computing kpt #: 271 total cpu time spent up to now is 129.6 secs Computing kpt #: 272 total cpu time spent up to now is 130.1 secs Computing kpt #: 273 total cpu time spent up to now is 130.5 secs Computing kpt #: 274 total cpu time spent up to now is 131.0 secs Computing kpt #: 275 total cpu time spent up to now is 131.4 secs Computing kpt #: 276 total cpu time spent up to now is 131.8 secs Computing kpt #: 277 total cpu time spent up to now is 132.3 secs Computing kpt #: 278 total cpu time spent up to now is 132.8 secs Computing kpt #: 279 total cpu time spent up to now is 133.2 secs Computing kpt #: 280 total cpu time spent up to now is 133.7 secs Computing kpt #: 281 total cpu time spent up to now is 134.1 secs Computing kpt #: 282 total cpu time spent up to now is 134.6 secs Computing kpt #: 283 total cpu time spent up to now is 135.0 secs Computing kpt #: 284 total cpu time spent up to now is 135.5 secs Computing kpt #: 285 total cpu time spent up to now is 136.0 secs Computing kpt #: 286 total cpu time spent up to now is 136.4 secs Computing kpt #: 287 total cpu time spent up to now is 136.9 secs Computing kpt #: 288 total cpu time spent up to now is 137.3 secs Computing kpt #: 289 total cpu time spent up to now is 137.8 secs Computing kpt #: 290 total cpu time spent up to now is 138.2 secs Computing kpt #: 291 total cpu time spent up to now is 138.7 secs Computing kpt #: 292 total cpu time spent up to now is 139.1 secs Computing kpt #: 293 total cpu time spent up to now is 139.6 secs Computing kpt #: 294 total cpu time spent up to now is 140.1 secs Computing kpt #: 295 total cpu time spent up to now is 140.6 secs Computing kpt #: 296 total cpu time spent up to now is 141.0 secs Computing kpt #: 297 total cpu time spent up to now is 141.5 secs Computing kpt #: 298 total cpu time spent up to now is 141.9 secs Computing kpt #: 299 total cpu time spent up to now is 142.4 secs Computing kpt #: 300 total cpu time spent up to now is 142.8 secs Computing kpt #: 301 total cpu time spent up to now is 143.2 secs Computing kpt #: 302 total cpu time spent up to now is 143.7 secs Computing kpt #: 303 total cpu time spent up to now is 144.1 secs Computing kpt #: 304 total cpu time spent up to now is 144.6 secs Computing kpt #: 305 total cpu time spent up to now is 145.0 secs Computing kpt #: 306 total cpu time spent up to now is 145.4 secs Computing kpt #: 307 total cpu time spent up to now is 145.9 secs Computing kpt #: 308 total cpu time spent up to now is 146.3 secs Computing kpt #: 309 total cpu time spent up to now is 146.7 secs Computing kpt #: 310 total cpu time spent up to now is 147.2 secs Computing kpt #: 311 total cpu time spent up to now is 147.6 secs Computing kpt #: 312 total cpu time spent up to now is 148.0 secs Computing kpt #: 313 total cpu time spent up to now is 148.5 secs Computing kpt #: 314 total cpu time spent up to now is 148.9 secs Computing kpt #: 315 total cpu time spent up to now is 149.3 secs Computing kpt #: 316 total cpu time spent up to now is 149.8 secs Computing kpt #: 317 total cpu time spent up to now is 150.2 secs Computing kpt #: 318 total cpu time spent up to now is 150.7 secs Computing kpt #: 319 total cpu time spent up to now is 151.1 secs Computing kpt #: 320 total cpu time spent up to now is 151.6 secs Computing kpt #: 321 total cpu time spent up to now is 152.0 secs Computing kpt #: 322 total cpu time spent up to now is 152.5 secs Computing kpt #: 323 total cpu time spent up to now is 152.9 secs Computing kpt #: 324 total cpu time spent up to now is 153.4 secs Computing kpt #: 325 total cpu time spent up to now is 153.9 secs Computing kpt #: 326 total cpu time spent up to now is 154.4 secs Computing kpt #: 327 total cpu time spent up to now is 154.8 secs Computing kpt #: 328 total cpu time spent up to now is 155.3 secs Computing kpt #: 329 total cpu time spent up to now is 155.8 secs Computing kpt #: 330 total cpu time spent up to now is 156.3 secs Computing kpt #: 331 total cpu time spent up to now is 156.9 secs Computing kpt #: 332 total cpu time spent up to now is 157.5 secs Computing kpt #: 333 total cpu time spent up to now is 158.1 secs Computing kpt #: 334 total cpu time spent up to now is 158.7 secs Computing kpt #: 335 total cpu time spent up to now is 159.3 secs Computing kpt #: 336 total cpu time spent up to now is 159.9 secs Computing kpt #: 337 total cpu time spent up to now is 160.5 secs Computing kpt #: 338 total cpu time spent up to now is 161.1 secs Computing kpt #: 339 total cpu time spent up to now is 161.7 secs Computing kpt #: 340 total cpu time spent up to now is 162.3 secs Computing kpt #: 341 total cpu time spent up to now is 162.8 secs Computing kpt #: 342 total cpu time spent up to now is 163.3 secs Computing kpt #: 343 total cpu time spent up to now is 163.8 secs Computing kpt #: 344 total cpu time spent up to now is 164.3 secs Computing kpt #: 345 total cpu time spent up to now is 164.8 secs Computing kpt #: 346 total cpu time spent up to now is 165.2 secs Computing kpt #: 347 total cpu time spent up to now is 165.7 secs Computing kpt #: 348 total cpu time spent up to now is 166.2 secs Computing kpt #: 349 total cpu time spent up to now is 166.6 secs Computing kpt #: 350 total cpu time spent up to now is 167.1 secs Computing kpt #: 351 total cpu time spent up to now is 167.6 secs Computing kpt #: 352 total cpu time spent up to now is 168.0 secs Computing kpt #: 353 total cpu time spent up to now is 168.5 secs Computing kpt #: 354 total cpu time spent up to now is 169.0 secs Computing kpt #: 355 total cpu time spent up to now is 169.4 secs Computing kpt #: 356 total cpu time spent up to now is 169.9 secs Computing kpt #: 357 total cpu time spent up to now is 170.3 secs Computing kpt #: 358 total cpu time spent up to now is 170.8 secs Computing kpt #: 359 total cpu time spent up to now is 171.2 secs Computing kpt #: 360 total cpu time spent up to now is 171.6 secs Computing kpt #: 361 total cpu time spent up to now is 172.0 secs Computing kpt #: 362 total cpu time spent up to now is 172.4 secs Computing kpt #: 363 total cpu time spent up to now is 172.8 secs Computing kpt #: 364 total cpu time spent up to now is 173.2 secs Computing kpt #: 365 total cpu time spent up to now is 173.6 secs Computing kpt #: 366 total cpu time spent up to now is 174.1 secs Computing kpt #: 367 total cpu time spent up to now is 174.5 secs Computing kpt #: 368 total cpu time spent up to now is 174.9 secs Computing kpt #: 369 total cpu time spent up to now is 175.4 secs Computing kpt #: 370 total cpu time spent up to now is 175.8 secs Computing kpt #: 371 total cpu time spent up to now is 176.2 secs Computing kpt #: 372 total cpu time spent up to now is 176.7 secs Computing kpt #: 373 total cpu time spent up to now is 177.2 secs Computing kpt #: 374 total cpu time spent up to now is 177.6 secs Computing kpt #: 375 total cpu time spent up to now is 178.1 secs Computing kpt #: 376 total cpu time spent up to now is 178.5 secs Computing kpt #: 377 total cpu time spent up to now is 179.0 secs Computing kpt #: 378 total cpu time spent up to now is 179.4 secs ethr = 3.57E-08, avg # of iterations = 15.6 total cpu time spent up to now is 179.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -38.4717 -38.4717 -38.4458 -38.4458 1.4404 1.4404 2.2486 2.2486 2.4250 2.4250 2.4621 2.4621 2.5975 2.5975 2.8041 2.8041 3.0796 3.0796 3.4430 3.4430 3.6453 3.6453 3.7207 3.7207 3.7957 3.7957 8.8460 8.8460 12.5293 12.5293 12.6469 12.6469 12.6645 12.6645 12.7402 12.7402 k = 0.0000 0.0000 0.0156 ( 7729 PWs) bands (ev): -38.4717 -38.4717 -38.4458 -38.4458 1.4416 1.4416 2.2487 2.2487 2.4249 2.4249 2.4621 2.4621 2.5975 2.5975 2.8045 2.8045 3.0798 3.0798 3.4421 3.4421 3.6430 3.6430 3.7225 3.7225 3.7960 3.7960 8.8485 8.8485 12.5143 12.5143 12.6232 12.6232 12.6564 12.6564 12.7522 12.7522 k = 0.0000 0.0000 0.0313 ( 7729 PWs) bands (ev): -38.4716 -38.4716 -38.4458 -38.4458 1.4453 1.4453 2.2493 2.2493 2.4246 2.4246 2.4623 2.4623 2.5976 2.5976 2.8059 2.8059 3.0805 3.0805 3.4392 3.4392 3.6367 3.6367 3.7273 3.7273 3.7970 3.7970 8.8560 8.8560 12.4745 12.4745 12.5736 12.5736 12.6282 12.6282 12.7537 12.7537 k = 0.0000 0.0000 0.0469 ( 7729 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4515 1.4515 2.2501 2.2501 2.4240 2.4240 2.4625 2.4625 2.5977 2.5977 2.8082 2.8082 3.0816 3.0816 3.4344 3.4344 3.6278 3.6278 3.7335 3.7335 3.7989 3.7989 8.8684 8.8684 12.4195 12.4195 12.5098 12.5098 12.5747 12.5747 12.7395 12.7395 k = 0.0000 0.0000 0.0626 ( 7733 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4601 1.4601 2.2513 2.2513 2.4230 2.4230 2.4629 2.4629 2.5979 2.5979 2.8113 2.8113 3.0832 3.0832 3.4278 3.4278 3.6172 3.6172 3.7399 3.7399 3.8020 3.8020 8.8858 8.8858 12.3537 12.3537 12.4359 12.4359 12.4966 12.4966 12.7230 12.7230 k = 0.0000 0.0000 0.0782 ( 7737 PWs) bands (ev): -38.4715 -38.4715 -38.4459 -38.4459 1.4711 1.4711 2.2528 2.2528 2.4217 2.4217 2.4635 2.4635 2.5983 2.5983 2.8153 2.8153 3.0852 3.0852 3.4195 3.4195 3.6056 3.6056 3.7456 3.7456 3.8064 3.8064 8.9080 8.9080 12.2750 12.2750 12.3593 12.3593 12.3996 12.3996 12.7065 12.7065 k = 0.0000 0.0000 0.0939 ( 7741 PWs) bands (ev): -38.4715 -38.4715 -38.4460 -38.4460 1.4846 1.4846 2.2546 2.2546 2.4200 2.4200 2.4644 2.4644 2.5989 2.5989 2.8200 2.8200 3.0877 3.0877 3.4096 3.4096 3.5934 3.5934 3.7500 3.7500 3.8122 3.8122 8.9351 8.9351 12.1800 12.1800 12.2838 12.2838 12.2933 12.2933 12.6895 12.6895 k = 0.0000 0.0000 0.1095 ( 7729 PWs) bands (ev): -38.4714 -38.4714 -38.4460 -38.4460 1.5005 1.5005 2.2566 2.2566 2.4178 2.4178 2.4657 2.4657 2.5998 2.5998 2.8255 2.8255 3.0906 3.0906 3.3982 3.3982 3.5809 3.5809 3.7530 3.7530 3.8194 3.8194 8.9668 8.9668 12.0710 12.0710 12.1683 12.1683 12.2239 12.2239 12.6714 12.6714 k = 0.0000 0.0000 0.1251 ( 7717 PWs) bands (ev): -38.4713 -38.4713 -38.4461 -38.4461 1.5187 1.5187 2.2588 2.2588 2.4151 2.4151 2.4673 2.4673 2.6010 2.6010 2.8318 2.8318 3.0939 3.0939 3.3854 3.3854 3.5682 3.5682 3.7548 3.7548 3.8276 3.8276 9.0031 9.0031 11.9527 11.9527 12.0425 12.0425 12.1624 12.1624 12.6518 12.6518 k = 0.0000 0.0000 0.1408 ( 7719 PWs) bands (ev): -38.4712 -38.4712 -38.4462 -38.4462 1.5394 1.5394 2.2611 2.2611 2.4120 2.4120 2.4693 2.4693 2.6025 2.6025 2.8387 2.8387 3.0977 3.0977 3.3715 3.3715 3.5553 3.5553 3.7557 3.7557 3.8365 3.8365 9.0439 9.0439 11.8281 11.8281 11.9125 11.9125 12.1038 12.1038 12.6308 12.6308 k = 0.0000 0.0000 0.1564 ( 7723 PWs) bands (ev): -38.4711 -38.4711 -38.4463 -38.4463 1.5623 1.5623 2.2635 2.2635 2.4086 2.4086 2.4716 2.4716 2.6045 2.6045 2.8463 2.8463 3.1018 3.1018 3.3566 3.3566 3.5423 3.5423 3.7558 3.7558 3.8457 3.8457 9.0890 9.0890 11.6993 11.6993 11.7799 11.7799 12.0471 12.0471 12.6084 12.6084 k = 0.0000 0.0000 0.1721 ( 7735 PWs) bands (ev): -38.4710 -38.4710 -38.4464 -38.4464 1.5876 1.5876 2.2659 2.2659 2.4049 2.4049 2.4743 2.4743 2.6069 2.6069 2.8545 2.8545 3.1063 3.1063 3.3408 3.3408 3.5293 3.5293 3.7555 3.7555 3.8551 3.8551 9.1381 9.1381 11.5677 11.5677 11.6458 11.6458 11.9923 11.9923 12.5848 12.5848 k = 0.0000 0.0000 0.1877 ( 7741 PWs) bands (ev): -38.4709 -38.4709 -38.4465 -38.4465 1.6151 1.6151 2.2680 2.2680 2.4012 2.4012 2.4773 2.4773 2.6097 2.6097 2.8632 2.8632 3.1113 3.1113 3.3244 3.3244 3.5163 3.5163 3.7549 3.7549 3.8644 3.8644 9.1911 9.1911 11.4341 11.4341 11.5112 11.5112 11.9392 11.9392 12.5600 12.5600 k = 0.0000 0.0000 0.2033 ( 7737 PWs) bands (ev): -38.4708 -38.4708 -38.4466 -38.4466 1.6448 1.6448 2.2699 2.2699 2.3975 2.3975 2.4807 2.4807 2.6129 2.6129 2.8725 2.8725 3.1165 3.1165 3.3076 3.3076 3.5033 3.5033 3.7542 3.7542 3.8735 3.8735 9.2477 9.2477 11.2993 11.2993 11.3769 11.3769 11.8876 11.8876 12.5343 12.5343 k = 0.0000 0.0000 0.2190 ( 7731 PWs) bands (ev): -38.4706 -38.4706 -38.4467 -38.4467 1.6766 1.6766 2.2714 2.2714 2.3941 2.3941 2.4843 2.4843 2.6166 2.6166 2.8822 2.8822 3.1221 3.1221 3.2905 3.2905 3.4904 3.4904 3.7534 3.7534 3.8823 3.8823 9.3075 9.3075 11.1638 11.1638 11.2437 11.2437 11.8374 11.8374 12.5077 12.5077 k = 0.0000 0.0000 0.2346 ( 7737 PWs) bands (ev): -38.4705 -38.4705 -38.4468 -38.4468 1.7105 1.7105 2.2722 2.2722 2.3913 2.3913 2.4882 2.4882 2.6205 2.6205 2.8924 2.8924 3.1278 3.1278 3.2735 3.2735 3.4777 3.4777 3.7526 3.7526 3.8908 3.8908 9.3699 9.3699 11.0281 11.0281 11.1125 11.1125 11.7887 11.7887 12.4804 12.4804 k = 0.0000 0.0000 0.2503 ( 7739 PWs) bands (ev): -38.4703 -38.4703 -38.4470 -38.4470 1.7464 1.7464 2.2722 2.2722 2.3892 2.3892 2.4924 2.4924 2.6248 2.6248 2.9030 2.9030 3.1337 3.1337 3.2567 3.2567 3.4653 3.4653 3.7521 3.7521 3.8988 3.8988 9.4342 9.4342 10.8925 10.8925 10.9840 10.9840 11.7412 11.7412 12.4526 12.4526 k = 0.0000 0.0000 0.2659 ( 7739 PWs) bands (ev): -38.4701 -38.4701 -38.4471 -38.4471 1.7841 1.7841 2.2712 2.2712 2.3881 2.3881 2.4968 2.4968 2.6293 2.6293 2.9139 2.9139 3.1395 3.1395 3.2406 3.2406 3.4532 3.4532 3.7518 3.7518 3.9065 3.9065 9.4992 9.4992 10.7574 10.7574 10.8596 10.8596 11.6949 11.6949 12.4243 12.4243 k = 0.0000 0.0000 0.2816 ( 7743 PWs) bands (ev): -38.4700 -38.4700 -38.4473 -38.4473 1.8235 1.8235 2.2692 2.2692 2.3880 2.3880 2.5015 2.5015 2.6340 2.6340 2.9249 2.9249 3.1448 3.1448 3.2258 3.2258 3.4416 3.4416 3.7518 3.7518 3.9137 3.9137 9.5633 9.5633 10.6229 10.6229 10.7412 10.7412 11.6497 11.6497 12.3957 12.3957 k = 0.0000 0.0000 0.2972 ( 7751 PWs) bands (ev): -38.4698 -38.4698 -38.4474 -38.4474 1.8646 1.8646 2.2660 2.2660 2.3891 2.3891 2.5065 2.5065 2.6388 2.6388 2.9360 2.9360 3.1488 3.1488 3.2133 3.2133 3.4305 3.4305 3.7524 3.7524 3.9205 3.9205 9.6235 9.6235 10.4893 10.4893 10.6317 10.6317 11.6052 11.6052 12.3670 12.3670 k = 0.0000 0.0000 0.3128 ( 7751 PWs) bands (ev): -38.4696 -38.4696 -38.4476 -38.4476 1.9070 1.9070 2.2619 2.2619 2.3913 2.3913 2.5117 2.5117 2.6436 2.6436 2.9470 2.9470 3.1503 3.1503 3.2049 3.2049 3.4202 3.4202 3.7535 3.7535 3.9269 3.9269 9.6750 9.6750 10.3567 10.3567 10.5361 10.5361 11.5614 11.5614 12.3381 12.3381 k = 0.0000 0.0000 0.3285 ( 7755 PWs) bands (ev): -38.4694 -38.4694 -38.4478 -38.4478 1.9506 1.9506 2.2569 2.2569 2.3946 2.3946 2.5173 2.5173 2.6482 2.6482 2.9575 2.9575 3.1479 3.1479 3.2019 3.2019 3.4106 3.4106 3.7553 3.7553 3.9329 3.9329 9.7098 9.7098 10.2254 10.2254 10.4622 10.4622 11.5180 11.5180 12.3092 12.3092 k = 0.0000 0.0000 0.3441 ( 7763 PWs) bands (ev): -38.4692 -38.4692 -38.4480 -38.4480 1.9951 1.9951 2.2512 2.2512 2.3987 2.3987 2.5232 2.5232 2.6528 2.6528 2.9672 2.9672 3.1426 3.1426 3.2040 3.2040 3.4020 3.4020 3.7580 3.7580 3.9384 3.9384 9.7180 9.7180 10.0954 10.0954 10.4201 10.4201 11.4745 11.4745 12.2804 12.2804 k = 0.0000 0.0000 0.3598 ( 7767 PWs) bands (ev): -38.4689 -38.4689 -38.4482 -38.4482 2.0401 2.0401 2.2449 2.2449 2.4036 2.4036 2.5295 2.5295 2.6570 2.6570 2.9756 2.9756 3.1368 3.1368 3.2095 3.2095 3.3946 3.3946 3.7616 3.7616 3.9437 3.9437 9.6925 9.6925 9.9669 9.9669 10.4168 10.4168 11.4306 11.4306 12.2516 12.2516 k = 0.0000 0.0000 0.3754 ( 7775 PWs) bands (ev): -38.4687 -38.4687 -38.4484 -38.4484 2.0852 2.0852 2.2382 2.2382 2.4091 2.4091 2.5364 2.5364 2.6610 2.6610 2.9823 2.9823 3.1325 3.1325 3.2168 3.2168 3.3884 3.3884 3.7664 3.7664 3.9486 3.9486 9.6356 9.6356 9.8401 9.8401 10.4500 10.4500 11.3856 11.3856 12.2231 12.2231 k = 0.0000 0.0000 0.3910 ( 7777 PWs) bands (ev): -38.4685 -38.4685 -38.4486 -38.4486 2.1298 2.1298 2.2313 2.2313 2.4152 2.4152 2.5438 2.5438 2.6647 2.6647 2.9866 2.9866 3.1310 3.1310 3.2252 3.2252 3.3838 3.3838 3.7724 3.7724 3.9535 3.9535 9.5565 9.5565 9.7149 9.7149 10.5106 10.5106 11.3387 11.3387 12.1948 12.1948 k = 0.0000 0.0000 0.4067 ( 7781 PWs) bands (ev): -38.4682 -38.4682 -38.4488 -38.4488 2.1733 2.1733 2.2244 2.2244 2.4216 2.4216 2.5518 2.5518 2.6682 2.6682 2.9886 2.9886 3.1329 3.1329 3.2344 3.2344 3.3808 3.3808 3.7797 3.7797 3.9584 3.9584 9.4638 9.4638 9.5917 9.5917 10.5896 10.5896 11.2892 11.2892 12.1667 12.1667 k = 0.0000 0.0000 0.4223 ( 7783 PWs) bands (ev): -38.4680 -38.4680 -38.4490 -38.4490 2.2120 2.2120 2.2204 2.2204 2.4285 2.4285 2.5603 2.5603 2.6719 2.6719 2.9884 2.9884 3.1381 3.1381 3.2440 3.2440 3.3797 3.3797 3.7884 3.7884 3.9635 3.9635 9.3638 9.3638 9.4704 9.4704 10.6806 10.6806 11.2357 11.2357 12.1389 12.1389 k = 0.0000 0.0000 0.4380 ( 7795 PWs) bands (ev): -38.4677 -38.4677 -38.4493 -38.4493 2.2095 2.2095 2.2550 2.2550 2.4355 2.4355 2.5691 2.5691 2.6764 2.6764 2.9868 2.9868 3.1462 3.1462 3.2541 3.2541 3.3807 3.3807 3.7986 3.7986 3.9692 3.9692 9.2599 9.2599 9.3512 9.3512 10.7796 10.7796 11.1773 11.1773 12.1114 12.1114 k = 0.0000 0.0000 0.4536 ( 7795 PWs) bands (ev): -38.4675 -38.4675 -38.4495 -38.4495 2.2027 2.2027 2.2904 2.2904 2.4428 2.4428 2.5775 2.5775 2.6827 2.6827 2.9843 2.9843 3.1563 3.1563 3.2648 3.2648 3.3837 3.3837 3.8101 3.8101 3.9761 3.9761 9.1545 9.1545 9.2342 9.2342 10.8811 10.8811 11.1147 11.1147 12.0842 12.0842 k = 0.0000 0.0000 0.4693 ( 7783 PWs) bands (ev): -38.4672 -38.4672 -38.4497 -38.4497 2.1961 2.1961 2.3216 2.3216 2.4501 2.4501 2.5846 2.5846 2.6921 2.6921 2.9816 2.9816 3.1679 3.1679 3.2760 3.2760 3.3888 3.3888 3.8224 3.8224 3.9850 3.9850 9.0487 9.0487 9.1194 9.1194 10.9572 10.9572 11.0722 11.0722 12.0570 12.0570 k = 0.0000 0.0000 0.4849 ( 7779 PWs) bands (ev): -38.4669 -38.4669 -38.4500 -38.4500 2.1896 2.1896 2.3481 2.3481 2.4573 2.4573 2.5892 2.5892 2.7058 2.7058 2.9791 2.9791 3.1803 3.1803 3.2881 3.2881 3.3961 3.3961 3.8350 3.8350 3.9969 3.9969 8.9436 8.9436 9.0071 9.0071 10.9111 10.9111 11.1433 11.1433 12.0295 12.0295 k = 0.0000 0.0000 0.5005 ( 7779 PWs) bands (ev): -38.4666 -38.4666 -38.4502 -38.4502 2.1835 2.1835 2.3696 2.3696 2.4643 2.4643 2.5908 2.5908 2.7241 2.7241 2.9771 2.9771 3.1933 3.1933 3.3010 3.3010 3.4055 3.4055 3.8470 3.8470 4.0133 4.0133 8.8397 8.8397 8.8973 8.8973 10.8102 10.8102 11.2580 11.2580 11.9953 11.9953 k = 0.0000 0.0000 0.5162 ( 7779 PWs) bands (ev): -38.4663 -38.4663 -38.4505 -38.4505 2.1778 2.1778 2.3866 2.3866 2.4710 2.4710 2.5897 2.5897 2.7461 2.7461 2.9758 2.9758 3.2064 3.2064 3.3151 3.3151 3.4167 3.4167 3.8573 3.8573 4.0356 4.0356 8.7374 8.7374 8.7900 8.7900 10.6882 10.6882 11.3812 11.3812 11.9161 11.9161 k = 0.0000 0.0000 0.5318 ( 7783 PWs) bands (ev): -38.4660 -38.4660 -38.4508 -38.4508 2.1725 2.1725 2.3993 2.3993 2.4771 2.4771 2.5867 2.5867 2.7703 2.7703 2.9752 2.9752 3.2197 3.2197 3.3302 3.3302 3.4296 3.4296 3.8652 3.8652 4.0651 4.0651 8.6371 8.6371 8.6856 8.6856 10.5497 10.5497 11.5090 11.5090 11.8312 11.8312 k = 0.0000 0.0000 0.5475 ( 7775 PWs) bands (ev): -38.4657 -38.4657 -38.4510 -38.4510 2.1677 2.1677 2.4083 2.4083 2.4827 2.4827 2.5825 2.5825 2.7951 2.7951 2.9754 2.9754 3.2330 3.2330 3.3465 3.3465 3.4441 3.4441 3.8705 3.8705 4.1024 4.1024 8.5391 8.5391 8.5839 8.5839 10.3971 10.3971 11.6400 11.6400 11.7602 11.7602 k = 0.0000 0.0000 0.5631 ( 7777 PWs) bands (ev): -38.4654 -38.4654 -38.4513 -38.4513 2.1633 2.1633 2.4139 2.4139 2.4878 2.4878 2.5779 2.5779 2.8192 2.8192 2.9764 2.9764 3.2465 3.2465 3.3638 3.3638 3.4599 3.4599 3.8734 3.8734 4.1476 4.1476 8.4436 8.4436 8.4852 8.4852 10.2333 10.2333 11.7017 11.7017 11.7734 11.7734 k = 0.0000 0.0000 0.5787 ( 7773 PWs) bands (ev): -38.4651 -38.4651 -38.4516 -38.4516 2.1594 2.1594 2.4163 2.4163 2.4925 2.4925 2.5735 2.5735 2.8416 2.8416 2.9782 2.9782 3.2601 3.2601 3.3819 3.3819 3.4768 3.4768 3.8742 3.8742 4.2008 4.2008 8.3507 8.3507 8.3896 8.3896 10.0610 10.0610 11.6546 11.6546 11.8734 11.8734 k = 0.0000 0.0000 0.5944 ( 7761 PWs) bands (ev): -38.4648 -38.4648 -38.4519 -38.4519 2.1562 2.1562 2.4158 2.4158 2.4969 2.4969 2.5696 2.5696 2.8616 2.8616 2.9809 2.9809 3.2740 3.2740 3.4006 3.4006 3.4946 3.4946 3.8733 3.8733 4.2616 4.2616 8.2608 8.2608 8.2972 8.2972 9.8825 9.8825 11.6163 11.6163 11.8595 11.8595 k = 0.0000 0.0000 0.6100 ( 7757 PWs) bands (ev): -38.4645 -38.4645 -38.4522 -38.4522 2.1534 2.1534 2.4125 2.4125 2.5010 2.5010 2.5665 2.5665 2.8788 2.8788 2.9843 2.9843 3.2883 3.2883 3.4196 3.4196 3.5131 3.5131 3.8711 3.8711 4.3298 4.3298 8.1739 8.1739 8.2081 8.2081 9.6997 9.6997 11.5851 11.5851 11.8380 11.8380 k = 0.0000 0.0000 0.6257 ( 7761 PWs) bands (ev): -38.4641 -38.4641 -38.4525 -38.4525 2.1513 2.1513 2.4067 2.4067 2.5051 2.5051 2.5643 2.5643 2.8932 2.8932 2.9883 2.9883 3.3029 3.3029 3.4387 3.4387 3.5321 3.5321 3.8678 3.8678 4.4052 4.4052 8.0902 8.0902 8.1225 8.1225 9.5142 9.5142 11.5598 11.5598 11.8163 11.8163 k = 0.0000 0.0000 0.6413 ( 7769 PWs) bands (ev): -38.4638 -38.4638 -38.4528 -38.4528 2.1498 2.1498 2.3989 2.3989 2.5091 2.5091 2.5627 2.5627 2.9050 2.9050 2.9927 2.9927 3.3178 3.3178 3.4577 3.4577 3.5514 3.5514 3.8637 3.8637 4.4873 4.4873 8.0100 8.0100 8.0406 8.0406 9.3271 9.3271 11.5393 11.5393 11.7949 11.7949 k = 0.0000 0.0000 0.6570 ( 7769 PWs) bands (ev): -38.4635 -38.4635 -38.4531 -38.4531 2.1489 2.1489 2.3894 2.3894 2.5129 2.5129 2.5618 2.5618 2.9145 2.9145 2.9971 2.9971 3.3331 3.3331 3.4763 3.4763 3.5709 3.5709 3.8590 3.8590 4.5759 4.5759 7.9333 7.9333 7.9624 7.9624 9.1393 9.1393 11.5228 11.5228 11.7740 11.7740 k = 0.0000 0.0000 0.6726 ( 7767 PWs) bands (ev): -38.4631 -38.4631 -38.4535 -38.4535 2.1486 2.1486 2.3787 2.3787 2.5167 2.5167 2.5612 2.5612 2.9224 2.9224 3.0013 3.0013 3.3486 3.3486 3.4942 3.4942 3.5903 3.5903 3.8537 3.8537 4.6706 4.6706 7.8603 7.8603 7.8881 7.8881 8.9516 8.9516 11.5098 11.5098 11.7535 11.7535 k = 0.0000 0.0000 0.6882 ( 7763 PWs) bands (ev): -38.4628 -38.4628 -38.4538 -38.4538 2.1490 2.1490 2.3671 2.3671 2.5203 2.5203 2.5610 2.5610 2.9291 2.9291 3.0049 3.0049 3.3644 3.3644 3.5112 3.5112 3.6095 3.6095 3.8481 3.8481 4.7711 4.7711 7.7912 7.7912 7.8179 7.8179 8.7646 8.7646 11.4997 11.4997 11.7336 11.7336 k = 0.0000 0.0000 0.7039 ( 7759 PWs) bands (ev): -38.4625 -38.4625 -38.4541 -38.4541 2.1501 2.1501 2.3549 2.3549 2.5238 2.5238 2.5609 2.5609 2.9348 2.9348 3.0078 3.0078 3.3804 3.3804 3.5270 3.5270 3.6284 3.6284 3.8423 3.8423 4.8771 4.8771 7.7261 7.7261 7.7520 7.7520 8.5787 8.5787 11.4921 11.4921 11.7142 11.7142 k = 0.0000 0.0000 0.7195 ( 7755 PWs) bands (ev): -38.4621 -38.4621 -38.4544 -38.4544 2.1518 2.1518 2.3423 2.3423 2.5272 2.5272 2.5608 2.5608 2.9400 2.9400 3.0098 3.0098 3.3965 3.3965 3.5413 3.5413 3.6468 3.6468 3.8365 3.8365 4.9883 4.9883 7.6650 7.6650 7.6904 7.6904 8.3945 8.3945 11.4869 11.4869 11.6954 11.6954 k = 0.0000 0.0000 0.7352 ( 7755 PWs) bands (ev): -38.4618 -38.4618 -38.4548 -38.4548 2.1542 2.1542 2.3295 2.3295 2.5303 2.5303 2.5607 2.5607 2.9449 2.9449 3.0111 3.0111 3.4125 3.4125 3.5539 3.5539 3.6645 3.6645 3.8308 3.8308 5.1044 5.1044 7.6080 7.6080 7.6334 7.6334 8.2123 8.2123 11.4836 11.4836 11.6771 11.6771 k = 0.0000 0.0000 0.7508 ( 7763 PWs) bands (ev): -38.4614 -38.4614 -38.4551 -38.4551 2.1572 2.1572 2.3167 2.3167 2.5333 2.5333 2.5606 2.5606 2.9495 2.9495 3.0114 3.0114 3.4286 3.4286 3.5645 3.5645 3.6815 3.6815 3.8253 3.8253 5.2251 5.2251 7.5548 7.5548 7.5812 7.5812 8.0328 8.0328 11.4822 11.4822 11.6595 11.6595 k = 0.0000 0.0000 0.7664 ( 7767 PWs) bands (ev): -38.4611 -38.4611 -38.4555 -38.4555 2.1610 2.1610 2.3040 2.3040 2.5362 2.5362 2.5604 2.5604 2.9541 2.9541 3.0111 3.0111 3.4445 3.4445 3.5729 3.5729 3.6975 3.6975 3.8201 3.8201 5.3503 5.3503 7.5047 7.5047 7.5339 7.5339 7.8572 7.8572 11.4825 11.4825 11.6425 11.6425 k = 0.0000 0.0000 0.7821 ( 7765 PWs) bands (ev): -38.4607 -38.4607 -38.4558 -38.4558 2.1654 2.1654 2.2915 2.2915 2.5389 2.5389 2.5600 2.5600 2.9586 2.9586 3.0100 3.0100 3.4602 3.4602 3.5788 3.5788 3.7126 3.7126 3.8153 3.8153 5.4797 5.4797 7.4547 7.4547 7.4916 7.4916 7.6888 7.6888 11.4843 11.4843 11.6261 11.6261 k = 0.0000 0.0000 0.7977 ( 7774 PWs) bands (ev): -38.4604 -38.4604 -38.4561 -38.4561 2.1705 2.1705 2.2792 2.2792 2.5414 2.5414 2.5595 2.5595 2.9630 2.9630 3.0083 3.0083 3.4755 3.4755 3.5822 3.5822 3.7266 3.7266 3.8110 3.8110 5.6132 5.6132 7.3914 7.3914 7.4546 7.4546 7.5413 7.5413 11.4876 11.4876 11.6104 11.6104 k = 0.0000 0.0000 0.8134 ( 7780 PWs) bands (ev): -38.4600 -38.4600 -38.4565 -38.4565 2.1763 2.1763 2.2673 2.2673 2.5438 2.5438 2.5589 2.5589 2.9675 2.9675 3.0061 3.0061 3.4905 3.4905 3.5831 3.5831 3.7393 3.7393 3.8069 3.8069 5.7505 5.7505 7.2788 7.2788 7.4230 7.4230 7.4509 7.4509 11.4921 11.4921 11.5954 11.5954 k = 0.0000 0.0000 0.8290 ( 7784 PWs) bands (ev): -38.4597 -38.4597 -38.4568 -38.4568 2.1827 2.1827 2.2558 2.2558 2.5460 2.5460 2.5581 2.5581 2.9719 2.9719 3.0034 3.0034 3.5049 3.5049 3.5816 3.5816 3.7508 3.7508 3.8030 3.8030 5.8915 5.8915 7.1272 7.1272 7.3969 7.3969 7.4077 7.4077 11.4979 11.4979 11.5811 11.5811 k = 0.0000 0.0000 0.8447 ( 7780 PWs) bands (ev): -38.4593 -38.4593 -38.4572 -38.4572 2.1897 2.1897 2.2448 2.2448 2.5480 2.5480 2.5571 2.5571 2.9763 2.9763 3.0002 3.0002 3.5187 3.5187 3.5777 3.5777 3.7611 3.7611 3.7990 3.7990 6.0361 6.0361 6.9668 6.9668 7.3765 7.3765 7.3815 7.3815 11.5049 11.5049 11.5676 11.5676 k = 0.0000 0.0000 0.8603 ( 7776 PWs) bands (ev): -38.4590 -38.4590 -38.4575 -38.4575 2.1974 2.1974 2.2342 2.2342 2.5499 2.5499 2.5560 2.5560 2.9806 2.9806 2.9968 2.9968 3.5316 3.5316 3.5717 3.5717 3.7700 3.7700 3.7948 3.7948 6.1840 6.1840 6.8058 6.8058 7.3619 7.3619 7.3644 7.3644 11.5130 11.5130 11.5549 11.5549 k = 0.0000 0.0000 0.8759 ( 7764 PWs) bands (ev): -38.4586 -38.4586 -38.4579 -38.4579 2.2057 2.2057 2.2241 2.2241 2.5517 2.5517 2.5547 2.5547 2.9849 2.9849 2.9930 2.9930 3.5436 3.5436 3.5638 3.5638 3.7777 3.7777 3.7900 3.7900 6.3352 6.3352 6.6464 6.6464 7.3533 7.3533 7.3544 7.3544 11.5220 11.5220 11.5431 11.5431 k = 0.0000 0.0000 0.8916 ( 7762 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2147 2.2147 2.2147 2.2147 2.5533 2.5533 2.5533 2.5533 2.9891 2.9891 2.9891 2.9891 3.5544 3.5544 3.5544 3.5544 3.7843 3.7843 3.7843 3.7843 6.4894 6.4894 6.4894 6.4894 7.3508 7.3508 7.3508 7.3508 11.5321 11.5321 11.5321 11.5321 k = 0.0000 0.0000 0.8916 ( 7762 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2147 2.2147 2.2147 2.2147 2.5533 2.5533 2.5533 2.5533 2.9891 2.9891 2.9891 2.9891 3.5544 3.5544 3.5544 3.5544 3.7843 3.7843 3.7843 3.7843 6.4894 6.4894 6.4894 6.4894 7.3508 7.3508 7.3508 7.3508 11.5321 11.5321 11.5321 11.5321 k =-0.0088 0.0130 0.8916 ( 7776 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2144 2.2144 2.2147 2.2147 2.5485 2.5485 2.5578 2.5578 2.9816 2.9816 2.9958 2.9958 3.5531 3.5531 3.5561 3.5561 3.7810 3.7810 3.7878 3.7878 6.4836 6.4836 6.4907 6.4907 7.3454 7.3454 7.3566 7.3566 11.5370 11.5370 11.5400 11.5400 k =-0.0176 0.0261 0.8916 ( 7774 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2139 2.2139 2.2145 2.2145 2.5435 2.5435 2.5620 2.5620 2.9734 2.9734 3.0018 3.0018 3.5521 3.5521 3.5582 3.5582 3.7777 3.7777 3.7915 3.7915 6.4733 6.4733 6.4874 6.4874 7.3407 7.3407 7.3628 7.3628 11.5547 11.5547 11.5607 11.5607 k =-0.0265 0.0391 0.8916 ( 7786 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2132 2.2132 2.2140 2.2140 2.5382 2.5382 2.5660 2.5660 2.9647 2.9647 3.0071 3.0071 3.5514 3.5514 3.5607 3.5607 3.7747 3.7747 3.7952 3.7952 6.4588 6.4588 6.4791 6.4791 7.3371 7.3371 7.3695 7.3695 11.5851 11.5851 11.5939 11.5939 k =-0.0353 0.0521 0.8916 ( 7786 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2123 2.2123 2.2133 2.2133 2.5327 2.5327 2.5698 2.5698 2.9554 2.9554 3.0118 3.0118 3.5509 3.5509 3.5634 3.5634 3.7718 3.7718 3.7991 3.7991 6.4401 6.4401 6.4659 6.4659 7.3351 7.3351 7.3766 7.3766 11.6279 11.6279 11.6393 11.6393 k =-0.0441 0.0651 0.8916 ( 7778 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2111 2.2111 2.2124 2.2124 2.5269 2.5269 2.5732 2.5732 2.9456 2.9456 3.0159 3.0159 3.5506 3.5506 3.5664 3.5664 3.7691 3.7691 3.8031 3.8031 6.4172 6.4172 6.4475 6.4475 7.3351 7.3351 7.3846 7.3846 11.6827 11.6827 11.6966 11.6966 k =-0.0529 0.0782 0.8916 ( 7776 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2098 2.2098 2.2113 2.2113 2.5207 2.5207 2.5762 2.5762 2.9356 2.9356 3.0194 3.0194 3.5503 3.5503 3.5694 3.5694 3.7667 3.7667 3.8074 3.8074 6.3904 6.3904 6.4240 6.4240 7.3375 7.3375 7.3937 7.3937 11.7492 11.7492 11.7652 11.7652 k =-0.0618 0.0912 0.8916 ( 7774 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2083 2.2083 2.2100 2.2100 2.5142 2.5142 2.5788 2.5788 2.9254 2.9254 3.0225 3.0225 3.5500 3.5500 3.5725 3.5725 3.7647 3.7647 3.8118 3.8118 6.3596 6.3596 6.3955 6.3955 7.3427 7.3427 7.4043 7.4043 11.8267 11.8267 11.8447 11.8447 k =-0.0706 0.1042 0.8916 ( 7778 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2066 2.2066 2.2085 2.2085 2.5074 2.5074 2.5808 2.5808 2.9153 2.9153 3.0252 3.0252 3.5494 3.5494 3.5754 3.5754 3.7631 3.7631 3.8166 3.8166 6.3251 6.3251 6.3621 6.3621 7.3511 7.3511 7.4166 7.4166 11.9149 11.9149 11.9344 11.9344 k =-0.0794 0.1172 0.8916 ( 7774 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2048 2.2048 2.2068 2.2068 2.5002 2.5002 2.5822 2.5822 2.9055 2.9055 3.0277 3.0277 3.5485 3.5485 3.5780 3.5780 3.7619 3.7619 3.8216 3.8216 6.2871 6.2871 6.3241 6.3241 7.3628 7.3628 7.4309 7.4309 12.0130 12.0130 12.0339 12.0339 k =-0.0882 0.1303 0.8916 ( 7770 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2028 2.2028 2.2050 2.2050 2.4927 2.4927 2.5828 2.5828 2.8962 2.8962 3.0300 3.0300 3.5471 3.5471 3.5802 3.5802 3.7613 3.7613 3.8269 3.8269 6.2459 6.2459 6.2820 6.2820 7.3779 7.3779 7.4476 7.4476 12.1206 12.1206 12.1426 12.1426 k =-0.0970 0.1433 0.8916 ( 7770 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2007 2.2007 2.2030 2.2030 2.4847 2.4847 2.5824 2.5824 2.8875 2.8875 3.0322 3.0322 3.5452 3.5452 3.5817 3.5817 3.7613 3.7613 3.8326 3.8326 6.2017 6.2017 6.2363 6.2363 7.3964 7.3964 7.4666 7.4666 12.2372 12.2372 12.2599 12.2599 k =-0.1059 0.1563 0.8916 ( 7770 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1984 2.1984 2.2009 2.2009 2.4764 2.4764 2.5810 2.5810 2.8798 2.8798 3.0344 3.0344 3.5427 3.5427 3.5826 3.5826 3.7620 3.7620 3.8386 3.8386 6.1548 6.1548 6.1873 6.1873 7.4183 7.4183 7.4883 7.4883 12.3620 12.3620 12.3853 12.3853 k =-0.1147 0.1693 0.8916 ( 7764 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1961 2.1961 2.1987 2.1987 2.4678 2.4678 2.5784 2.5784 2.8732 2.8732 3.0367 3.0367 3.5395 3.5395 3.5827 3.5827 3.7634 3.7634 3.8450 3.8450 6.1056 6.1056 6.1356 6.1356 7.4434 7.4434 7.5126 7.5126 12.4947 12.4947 12.5184 12.5184 k =-0.1147 0.1693 0.8916 ( 7764 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1961 2.1961 2.1987 2.1987 2.4678 2.4678 2.5784 2.5784 2.8732 2.8732 3.0367 3.0367 3.5395 3.5395 3.5827 3.5827 3.7634 3.7634 3.8450 3.8450 6.1056 6.1056 6.1356 6.1356 7.4434 7.4434 7.5126 7.5126 12.4947 12.4947 12.5184 12.5184 k =-0.1209 0.1785 0.8805 ( 7763 PWs) bands (ev): -38.4585 -38.4585 -38.4581 -38.4581 2.1917 2.1917 2.2002 2.2002 2.4613 2.4613 2.5758 2.5758 2.8694 2.8694 3.0384 3.0384 3.5350 3.5350 3.5831 3.5831 3.7652 3.7652 3.8495 3.8495 6.0392 6.0392 6.1265 6.1265 7.4204 7.4204 7.5802 7.5802 12.5891 12.5891 12.6203 12.6203 k =-0.1271 0.1877 0.8694 ( 7771 PWs) bands (ev): -38.4588 -38.4588 -38.4578 -38.4578 2.1868 2.1868 2.2023 2.2023 2.4543 2.4543 2.5724 2.5724 2.8661 2.8661 3.0403 3.0403 3.5270 3.5270 3.5843 3.5843 3.7678 3.7678 3.8538 3.8538 5.9652 5.9652 6.1204 6.1204 7.3749 7.3749 7.6838 7.6838 12.6833 12.6833 12.7303 12.7303 k =-0.1333 0.1969 0.8583 ( 7769 PWs) bands (ev): -38.4590 -38.4590 -38.4576 -38.4576 2.1825 2.1825 2.2041 2.2041 2.4468 2.4468 2.5683 2.5683 2.8635 2.8635 3.0423 3.0423 3.5164 3.5164 3.5853 3.5853 3.7712 3.7712 3.8581 3.8581 5.8944 5.8944 6.1088 6.1088 7.3274 7.3274 7.8009 7.8009 12.7798 12.7798 12.8451 12.8451 k =-0.1396 0.2060 0.8473 ( 7767 PWs) bands (ev): -38.4592 -38.4592 -38.4574 -38.4574 2.1787 2.1787 2.2055 2.2055 2.4387 2.4387 2.5635 2.5635 2.8617 2.8617 3.0445 3.0445 3.5041 3.5041 3.5856 3.5856 3.7752 3.7752 3.8627 3.8627 5.8273 5.8273 6.0929 6.0929 7.2798 7.2798 7.9277 7.9277 12.8796 12.8796 12.9635 12.9635 k =-0.1458 0.2152 0.8362 ( 7765 PWs) bands (ev): -38.4594 -38.4594 -38.4572 -38.4572 2.1756 2.1756 2.2066 2.2066 2.4302 2.4302 2.5578 2.5578 2.8607 2.8607 3.0469 3.0469 3.4903 3.4903 3.5850 3.5850 3.7794 3.7794 3.8680 3.8680 5.7638 5.7638 6.0740 6.0740 7.2326 7.2326 8.0624 8.0624 12.9828 12.9828 13.0846 13.0846 k =-0.1520 0.2244 0.8251 ( 7751 PWs) bands (ev): -38.4596 -38.4596 -38.4570 -38.4570 2.1730 2.1730 2.2072 2.2072 2.4211 2.4211 2.5514 2.5514 2.8605 2.8605 3.0495 3.0495 3.4755 3.4755 3.5832 3.5832 3.7834 3.7834 3.8745 3.8745 5.7040 5.7040 6.0533 6.0533 7.1861 7.1861 8.2034 8.2034 13.0893 13.0893 13.2076 13.2076 k =-0.1582 0.2336 0.8140 ( 7761 PWs) bands (ev): -38.4599 -38.4599 -38.4568 -38.4568 2.1710 2.1710 2.2073 2.2073 2.4116 2.4116 2.5442 2.5442 2.8610 2.8610 3.0523 3.0523 3.4598 3.4598 3.5804 3.5804 3.7869 3.7869 3.8823 3.8823 5.6478 5.6478 6.0315 6.0315 7.1404 7.1404 8.3497 8.3497 13.1990 13.1990 13.3316 13.3316 k =-0.1644 0.2427 0.8029 ( 7767 PWs) bands (ev): -38.4601 -38.4601 -38.4566 -38.4566 2.1695 2.1695 2.2069 2.2069 2.4017 2.4017 2.5364 2.5364 2.8624 2.8624 3.0554 3.0554 3.4435 3.4435 3.5767 3.5767 3.7895 3.7895 3.8917 3.8917 5.5949 5.5949 6.0093 6.0093 7.0955 7.0955 8.5004 8.5004 13.3119 13.3119 13.4548 13.4548 k =-0.1706 0.2519 0.7918 ( 7767 PWs) bands (ev): -38.4603 -38.4603 -38.4564 -38.4564 2.1686 2.1686 2.2061 2.2061 2.3915 2.3915 2.5280 2.5280 2.8644 2.8644 3.0587 3.0587 3.4267 3.4267 3.5721 3.5721 3.7912 3.7912 3.9027 3.9027 5.5453 5.5453 5.9871 5.9871 7.0516 7.0516 8.6548 8.6548 13.4277 13.4277 13.5751 13.5751 k =-0.1768 0.2611 0.7808 ( 7762 PWs) bands (ev): -38.4605 -38.4605 -38.4562 -38.4562 2.1681 2.1681 2.2047 2.2047 2.3809 2.3809 2.5191 2.5191 2.8670 2.8670 3.0622 3.0622 3.4096 3.4096 3.5669 3.5669 3.7919 3.7919 3.9153 3.9153 5.4989 5.4989 5.9654 5.9654 7.0088 7.0088 8.8125 8.8125 13.5459 13.5459 13.6888 13.6888 k =-0.1831 0.2703 0.7697 ( 7756 PWs) bands (ev): -38.4607 -38.4607 -38.4561 -38.4561 2.1680 2.1680 2.2027 2.2027 2.3702 2.3702 2.5098 2.5098 2.8702 2.8702 3.0659 3.0659 3.3925 3.3925 3.5612 3.5612 3.7918 3.7918 3.9291 3.9291 5.4553 5.4553 5.9443 5.9443 6.9671 6.9671 8.9728 8.9728 13.6654 13.6654 13.7907 13.7907 k =-0.1893 0.2794 0.7586 ( 7754 PWs) bands (ev): -38.4608 -38.4608 -38.4559 -38.4559 2.1683 2.1683 2.2003 2.2003 2.3594 2.3594 2.5002 2.5002 2.8738 2.8738 3.0697 3.0697 3.3753 3.3753 3.5551 3.5551 3.7911 3.7911 3.9440 3.9440 5.4145 5.4145 5.9241 5.9241 6.9267 6.9267 9.1353 9.1353 13.7820 13.7820 13.8768 13.8768 k =-0.1955 0.2886 0.7475 ( 7756 PWs) bands (ev): -38.4610 -38.4610 -38.4557 -38.4557 2.1690 2.1690 2.1974 2.1974 2.3486 2.3486 2.4905 2.4905 2.8778 2.8778 3.0736 3.0736 3.3584 3.3584 3.5487 3.5487 3.7898 3.7898 3.9597 3.9597 5.3764 5.3764 5.9049 5.9049 6.8876 6.8876 9.2996 9.2996 13.8741 13.8741 13.9610 13.9610 k =-0.2017 0.2978 0.7364 ( 7754 PWs) bands (ev): -38.4612 -38.4612 -38.4556 -38.4556 2.1699 2.1699 2.1940 2.1940 2.3378 2.3378 2.4808 2.4808 2.8822 2.8822 3.0775 3.0775 3.3420 3.3420 3.5421 3.5421 3.7882 3.7882 3.9759 3.9759 5.3407 5.3407 5.8867 5.8867 6.8498 6.8498 9.4653 9.4653 13.9110 13.9110 14.0729 14.0729 k =-0.2079 0.3070 0.7254 ( 7750 PWs) bands (ev): -38.4613 -38.4613 -38.4554 -38.4554 2.1709 2.1709 2.1902 2.1902 2.3273 2.3273 2.4712 2.4712 2.8867 2.8867 3.0812 3.0812 3.3260 3.3260 3.5355 3.5355 3.7863 3.7863 3.9926 3.9926 5.3074 5.3074 5.8696 5.8696 6.8136 6.8136 9.6320 9.6320 13.9123 13.9123 14.1987 14.1987 k =-0.2141 0.3161 0.7143 ( 7752 PWs) bands (ev): -38.4615 -38.4615 -38.4553 -38.4553 2.1718 2.1718 2.1863 2.1863 2.3171 2.3171 2.4617 2.4617 2.8915 2.8915 3.0848 3.0848 3.3109 3.3109 3.5289 3.5289 3.7842 3.7842 4.0094 4.0094 5.2762 5.2762 5.8537 5.8537 6.7790 6.7790 9.7992 9.7992 13.8958 13.8958 14.3280 14.3280 k =-0.2203 0.3253 0.7032 ( 7748 PWs) bands (ev): -38.4616 -38.4616 -38.4552 -38.4552 2.1723 2.1723 2.1825 2.1825 2.3073 2.3073 2.4526 2.4526 2.8964 2.8964 3.0879 3.0879 3.2967 3.2967 3.5225 3.5225 3.7821 3.7821 4.0262 4.0262 5.2473 5.2473 5.8389 5.8389 6.7460 6.7460 9.9665 9.9665 13.8701 13.8701 14.4571 14.4571 k =-0.2266 0.3345 0.6921 ( 7746 PWs) bands (ev): -38.4617 -38.4617 -38.4551 -38.4551 2.1711 2.1711 2.1801 2.1801 2.2981 2.2981 2.4439 2.4439 2.9013 2.9013 3.0905 3.0905 3.2836 3.2836 3.5163 3.5163 3.7799 3.7799 4.0429 4.0429 5.2203 5.2203 5.8253 5.8253 6.7148 6.7148 10.1333 10.1333 13.8400 13.8400 14.5823 14.5823 k =-0.2328 0.3437 0.6810 ( 7752 PWs) bands (ev): -38.4619 -38.4619 -38.4550 -38.4550 2.1676 2.1676 2.1797 2.1797 2.2895 2.2895 2.4356 2.4356 2.9063 2.9063 3.0924 3.0924 3.2718 3.2718 3.5103 3.5103 3.7778 3.7778 4.0592 4.0592 5.1953 5.1953 5.8128 5.8128 6.6854 6.6854 10.2990 10.2990 13.8082 13.8082 14.6975 14.6975 k =-0.2390 0.3528 0.6700 ( 7749 PWs) bands (ev): -38.4620 -38.4620 -38.4548 -38.4548 2.1629 2.1629 2.1801 2.1801 2.2817 2.2817 2.4280 2.4280 2.9112 2.9112 3.0934 3.0934 3.2615 3.2615 3.5046 3.5046 3.7757 3.7757 4.0750 4.0750 5.1723 5.1723 5.8014 5.8014 6.6580 6.6580 10.4629 10.4629 13.7766 13.7766 14.7915 14.7915 k =-0.2452 0.3620 0.6589 ( 7747 PWs) bands (ev): -38.4621 -38.4621 -38.4548 -38.4548 2.1578 2.1578 2.1806 2.1806 2.2747 2.2747 2.4209 2.4209 2.9162 2.9162 3.0933 3.0933 3.2528 3.2528 3.4993 3.4993 3.7738 3.7738 4.0902 4.0902 5.1511 5.1511 5.7911 5.7911 6.6326 6.6326 10.6241 10.6241 13.7460 13.7460 14.8457 14.8457 k =-0.2514 0.3712 0.6478 ( 7754 PWs) bands (ev): -38.4622 -38.4622 -38.4547 -38.4547 2.1526 2.1526 2.1809 2.1809 2.2688 2.2688 2.4144 2.4144 2.9210 2.9210 3.0922 3.0922 3.2458 3.2458 3.4944 3.4944 3.7719 3.7719 4.1046 4.1046 5.1318 5.1318 5.7819 5.7819 6.6093 6.6093 10.7815 10.7815 13.7173 13.7173 14.8438 14.8438 k =-0.2576 0.3804 0.6367 ( 7760 PWs) bands (ev): -38.4623 -38.4623 -38.4546 -38.4546 2.1476 2.1476 2.1808 2.1808 2.2638 2.2638 2.4086 2.4086 2.9257 2.9257 3.0901 3.0901 3.2404 3.2404 3.4899 3.4899 3.7702 3.7702 4.1179 4.1179 5.1145 5.1145 5.7738 5.7738 6.5882 6.5882 10.9338 10.9338 13.6910 13.6910 14.7912 14.7912 k =-0.2638 0.3895 0.6256 ( 7761 PWs) bands (ev): -38.4623 -38.4623 -38.4545 -38.4545 2.1429 2.1429 2.1804 2.1804 2.2598 2.2598 2.4035 2.4035 2.9302 2.9302 3.0872 3.0872 3.2364 3.2364 3.4859 3.4859 3.7687 3.7687 4.1302 4.1302 5.0990 5.0990 5.7667 5.7667 6.5694 6.5694 11.0794 11.0794 13.6672 13.6672 14.7083 14.7083 k =-0.2701 0.3987 0.6145 ( 7763 PWs) bands (ev): -38.4624 -38.4624 -38.4545 -38.4545 2.1386 2.1386 2.1796 2.1796 2.2567 2.2567 2.3991 2.3991 2.9345 2.9345 3.0836 3.0836 3.2337 3.2337 3.4824 3.4824 3.7673 3.7673 4.1412 4.1412 5.0854 5.0854 5.7605 5.7605 6.5529 6.5529 11.2161 11.2161 13.6463 13.6463 14.6126 14.6126 k =-0.2763 0.4079 0.6035 ( 7759 PWs) bands (ev): -38.4625 -38.4625 -38.4544 -38.4544 2.1347 2.1347 2.1786 2.1786 2.2545 2.2545 2.3953 2.3953 2.9385 2.9385 3.0798 3.0798 3.2319 3.2319 3.4793 3.4793 3.7662 3.7662 4.1507 4.1507 5.0739 5.0739 5.7554 5.7554 6.5388 6.5388 11.3412 11.3412 13.6284 13.6284 14.5153 14.5153 k =-0.2825 0.4171 0.5924 ( 7771 PWs) bands (ev): -38.4625 -38.4625 -38.4544 -38.4544 2.1315 2.1315 2.1776 2.1776 2.2530 2.2530 2.3922 2.3922 2.9420 2.9420 3.0760 3.0760 3.2309 3.2309 3.4768 3.4768 3.7652 3.7652 4.1588 4.1588 5.0643 5.0643 5.7512 5.7512 6.5273 6.5273 11.4517 11.4517 13.6137 13.6137 14.4240 14.4240 k =-0.2887 0.4262 0.5813 ( 7759 PWs) bands (ev): -38.4625 -38.4625 -38.4543 -38.4543 2.1289 2.1289 2.1765 2.1765 2.2520 2.2520 2.3899 2.3899 2.9449 2.9449 3.0727 3.0727 3.2304 3.2304 3.4749 3.4749 3.7645 3.7645 4.1651 4.1651 5.0569 5.0569 5.7480 5.7480 6.5182 6.5182 11.5438 11.5438 13.6022 13.6022 14.3451 14.3451 k =-0.2949 0.4354 0.5702 ( 7760 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1270 2.1270 2.1757 2.1757 2.2513 2.2513 2.3882 2.3882 2.9471 2.9471 3.0700 3.0700 3.2301 3.2301 3.4735 3.4735 3.7639 3.7639 4.1698 4.1698 5.0515 5.0515 5.7457 5.7457 6.5117 6.5117 11.6135 11.6135 13.5939 13.5939 14.2839 14.2839 k =-0.3011 0.4446 0.5591 ( 7752 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1258 2.1258 2.1751 2.1751 2.2510 2.2510 2.3871 2.3871 2.9485 2.9485 3.0683 3.0683 3.2300 3.2300 3.4727 3.4727 3.7636 3.7636 4.1726 4.1726 5.0482 5.0482 5.7443 5.7443 6.5078 6.5078 11.6572 11.6572 13.5890 13.5890 14.2450 14.2450 k =-0.3073 0.4538 0.5481 ( 7756 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1254 2.1254 2.1750 2.1750 2.2509 2.2509 2.3868 2.3868 2.9490 2.9490 3.0677 3.0677 3.2300 3.2300 3.4724 3.4724 3.7635 3.7635 4.1735 4.1735 5.0472 5.0472 5.7438 5.7438 6.5064 6.5064 11.6721 11.6721 13.5874 13.5874 14.2316 14.2316 k =-0.3073 0.4538 0.5481 ( 7756 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1254 2.1254 2.1750 2.1750 2.2509 2.2509 2.3868 2.3868 2.9490 2.9490 3.0677 3.0677 3.2300 3.2300 3.4724 3.4724 3.7635 3.7635 4.1735 4.1735 5.0472 5.0472 5.7438 5.7438 6.5064 6.5064 11.6721 11.6721 13.5874 13.5874 14.2316 14.2316 k =-0.3011 0.4445 0.5369 ( 7752 PWs) bands (ev): -38.4628 -38.4628 -38.4541 -38.4541 2.1291 2.1291 2.1753 2.1753 2.2528 2.2528 2.3945 2.3945 2.9448 2.9448 3.0572 3.0572 3.2256 3.2256 3.4853 3.4853 3.7506 3.7506 4.1675 4.1675 5.0083 5.0083 5.8359 5.8359 6.5027 6.5027 11.7993 11.7993 13.4370 13.4370 14.2010 14.2010 k =-0.2948 0.4352 0.5257 ( 7746 PWs) bands (ev): -38.4631 -38.4631 -38.4538 -38.4538 2.1331 2.1331 2.1757 2.1757 2.2547 2.2547 2.4021 2.4021 2.9410 2.9410 3.0463 3.0463 3.2215 3.2215 3.4983 3.4983 3.7367 3.7367 4.1613 4.1613 4.9558 4.9558 5.9317 5.9317 6.5182 6.5182 11.9290 11.9290 13.2880 13.2880 14.1695 14.1695 k =-0.2885 0.4260 0.5145 ( 7750 PWs) bands (ev): -38.4633 -38.4633 -38.4536 -38.4536 2.1370 2.1370 2.1762 2.1762 2.2564 2.2564 2.4097 2.4097 2.9376 2.9376 3.0350 3.0350 3.2175 3.2175 3.5111 3.5111 3.7220 3.7220 4.1548 4.1548 4.8915 4.8915 6.0313 6.0313 6.5512 6.5512 12.0608 12.0608 13.1408 13.1408 14.1371 14.1371 k =-0.2823 0.4167 0.5033 ( 7748 PWs) bands (ev): -38.4635 -38.4635 -38.4533 -38.4533 2.1410 2.1410 2.1770 2.1770 2.2580 2.2580 2.4175 2.4175 2.9345 2.9345 3.0235 3.0235 3.2140 3.2140 3.5237 3.5237 3.7063 3.7063 4.1480 4.1480 4.8179 4.8179 6.1346 6.1346 6.5993 6.5993 12.1943 12.1943 12.9959 12.9959 14.1038 14.1038 k =-0.2760 0.4075 0.4921 ( 7744 PWs) bands (ev): -38.4638 -38.4638 -38.4530 -38.4530 2.1448 2.1448 2.1780 2.1780 2.2594 2.2594 2.4255 2.4255 2.9316 2.9316 3.0118 3.0118 3.2108 3.2108 3.5359 3.5359 3.6898 3.6898 4.1409 4.1409 4.7373 4.7373 6.2414 6.2414 6.6603 6.6603 12.3282 12.3282 12.8544 12.8544 14.0698 14.0698 k =-0.2697 0.3982 0.4809 ( 7748 PWs) bands (ev): -38.4640 -38.4640 -38.4528 -38.4528 2.1482 2.1482 2.1794 2.1794 2.2607 2.2607 2.4337 2.4337 2.9287 2.9287 3.0003 3.0003 3.2082 3.2082 3.5474 3.5474 3.6727 3.6727 4.1334 4.1334 4.6520 4.6520 6.3518 6.3518 6.7322 6.7322 12.4561 12.4561 12.7228 12.7228 14.0351 14.0351 k =-0.2634 0.3889 0.4698 ( 7744 PWs) bands (ev): -38.4643 -38.4643 -38.4525 -38.4525 2.1511 2.1511 2.1812 2.1812 2.2618 2.2618 2.4424 2.4424 2.9256 2.9256 2.9891 2.9891 3.2059 3.2059 3.5577 3.5577 3.6555 3.6555 4.1255 4.1255 4.5638 4.5638 6.4657 6.4657 6.8134 6.8134 12.5085 12.5085 12.6706 12.6706 13.9998 13.9998 k =-0.2572 0.3797 0.4586 ( 7742 PWs) bands (ev): -38.4645 -38.4645 -38.4523 -38.4523 2.1533 2.1533 2.1834 2.1834 2.2627 2.2627 2.4515 2.4515 2.9218 2.9218 2.9787 2.9787 3.2042 3.2042 3.5658 3.5658 3.6392 3.6392 4.1172 4.1172 4.4743 4.4743 6.5828 6.5828 6.9025 6.9025 12.4025 12.4025 12.7805 12.7805 13.9641 13.9641 k =-0.2509 0.3704 0.4474 ( 7748 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1547 2.1547 2.1861 2.1861 2.2635 2.2635 2.4611 2.4611 2.9168 2.9168 2.9698 2.9698 3.2029 3.2029 3.5692 3.5692 3.6263 3.6263 4.1080 4.1080 4.3851 4.3851 6.7033 6.7033 6.9985 6.9985 12.2708 12.2708 12.9199 12.9199 13.9283 13.9283 k =-0.2446 0.3612 0.4362 ( 7746 PWs) bands (ev): -38.4651 -38.4651 -38.4518 -38.4518 2.1551 2.1551 2.1891 2.1891 2.2641 2.2641 2.4712 2.4712 2.9100 2.9100 2.9628 2.9628 3.2020 3.2020 3.5637 3.5637 3.6207 3.6207 4.0976 4.0976 4.2979 4.2979 6.8269 6.8269 7.1004 7.1004 12.1370 12.1370 13.0648 13.0648 13.8925 13.8925 k =-0.2384 0.3519 0.4250 ( 7750 PWs) bands (ev): -38.4653 -38.4653 -38.4515 -38.4515 2.1546 2.1546 2.1925 2.1925 2.2647 2.2647 2.4819 2.4819 2.9012 2.9012 2.9582 2.9582 3.2015 3.2015 3.5495 3.5495 3.6224 3.6224 4.0839 4.0839 4.2156 4.2156 6.9535 6.9535 7.2077 7.2077 12.0039 12.0039 13.2122 13.2122 13.8573 13.8573 k =-0.2321 0.3426 0.4138 ( 7758 PWs) bands (ev): -38.4656 -38.4656 -38.4513 -38.4513 2.1529 2.1529 2.1960 2.1960 2.2653 2.2653 2.4931 2.4931 2.8904 2.8904 2.9556 2.9556 3.2013 3.2013 3.5304 3.5304 3.6270 3.6270 4.0599 4.0599 4.1462 4.1462 7.0832 7.0832 7.3198 7.3198 11.8723 11.8723 13.3602 13.3602 13.8236 13.8236 k =-0.2258 0.3334 0.4027 ( 7762 PWs) bands (ev): -38.4658 -38.4658 -38.4510 -38.4510 2.1500 2.1500 2.1997 2.1997 2.2660 2.2660 2.5048 2.5048 2.8783 2.8783 2.9546 2.9546 3.2013 3.2013 3.5091 3.5091 3.6316 3.6316 4.0112 4.0112 4.1055 4.1055 7.2157 7.2157 7.4362 7.4362 11.7426 11.7426 13.5053 13.5053 13.7948 13.7948 k =-0.2195 0.3241 0.3915 ( 7778 PWs) bands (ev): -38.4661 -38.4661 -38.4508 -38.4508 2.1457 2.1457 2.2037 2.2037 2.2668 2.2668 2.5169 2.5169 2.8650 2.8650 2.9550 2.9550 3.2013 3.2013 3.4867 3.4867 3.6341 3.6341 3.9469 3.9469 4.0861 4.0861 7.3511 7.3511 7.5566 7.5566 11.6149 11.6149 13.6288 13.6288 13.7892 13.7892 k =-0.2133 0.3149 0.3803 ( 7782 PWs) bands (ev): -38.4664 -38.4664 -38.4505 -38.4505 2.1398 2.1398 2.2078 2.2078 2.2678 2.2678 2.5292 2.5292 2.8510 2.8510 2.9563 2.9563 3.2013 3.2013 3.4637 3.4637 3.6322 3.6322 3.8842 3.8842 4.0730 4.0730 7.4891 7.4891 7.6805 7.6805 11.4894 11.4894 13.6664 13.6664 13.8708 13.8708 k =-0.2070 0.3056 0.3691 ( 7786 PWs) bands (ev): -38.4666 -38.4666 -38.4503 -38.4503 2.1322 2.1322 2.2121 2.2121 2.2690 2.2690 2.5416 2.5416 2.8363 2.8363 2.9585 2.9585 3.2008 3.2008 3.4404 3.4404 3.6226 3.6226 3.8316 3.8316 4.0619 4.0619 7.6297 7.6297 7.8078 7.8078 11.3664 11.3664 13.6466 13.6466 14.0098 14.0098 k =-0.2007 0.2963 0.3579 ( 7776 PWs) bands (ev): -38.4669 -38.4669 -38.4501 -38.4501 2.1228 2.1228 2.2167 2.2167 2.2703 2.2703 2.5540 2.5540 2.8211 2.8211 2.9614 2.9614 3.1996 3.1996 3.4174 3.4174 3.6017 3.6017 3.7943 3.7943 4.0514 4.0514 7.7729 7.7729 7.9380 7.9380 11.2459 11.2459 13.6161 13.6161 14.1542 14.1542 k =-0.1944 0.2871 0.3467 ( 7768 PWs) bands (ev): -38.4671 -38.4671 -38.4498 -38.4498 2.1114 2.1114 2.2216 2.2216 2.2718 2.2718 2.5662 2.5662 2.8053 2.8053 2.9650 2.9650 3.1970 3.1970 3.3949 3.3949 3.5695 3.5695 3.7734 3.7734 4.0412 4.0412 7.9184 7.9184 8.0710 8.0710 11.1283 11.1283 13.5832 13.5832 14.2531 14.2531 k =-0.1882 0.2778 0.3355 ( 7760 PWs) bands (ev): -38.4674 -38.4674 -38.4496 -38.4496 2.0981 2.0981 2.2268 2.2268 2.2735 2.2735 2.5778 2.5778 2.7890 2.7890 2.9693 2.9693 3.1925 3.1925 3.3735 3.3735 3.5313 3.5313 3.7645 3.7645 4.0311 4.0311 8.0661 8.0661 8.2063 8.2063 11.0137 11.0137 13.5496 13.5496 14.2063 14.2063 k =-0.1819 0.2686 0.3244 ( 7768 PWs) bands (ev): -38.4676 -38.4676 -38.4494 -38.4494 2.0826 2.0826 2.2322 2.2322 2.2754 2.2754 2.5887 2.5887 2.7722 2.7722 2.9740 2.9740 3.1853 3.1853 3.3541 3.3541 3.4929 3.4929 3.7622 3.7622 4.0209 4.0209 8.2160 8.2160 8.3437 8.3437 10.9024 10.9024 13.5161 13.5161 14.1152 14.1152 k =-0.1756 0.2593 0.3132 ( 7760 PWs) bands (ev): -38.4678 -38.4678 -38.4492 -38.4492 2.0650 2.0650 2.2378 2.2378 2.2774 2.2774 2.5987 2.5987 2.7550 2.7550 2.9791 2.9791 3.1749 3.1749 3.3371 3.3371 3.4581 3.4581 3.7635 3.7635 4.0107 4.0107 8.3679 8.3679 8.4826 8.4826 10.7950 10.7950 13.4830 13.4830 14.0201 14.0201 k =-0.1694 0.2500 0.3020 ( 7756 PWs) bands (ev): -38.4681 -38.4681 -38.4489 -38.4489 2.0453 2.0453 2.2435 2.2435 2.2796 2.2796 2.6076 2.6076 2.7373 2.7373 2.9841 2.9841 3.1616 3.1616 3.3227 3.3227 3.4288 3.4288 3.7665 3.7665 4.0003 4.0003 8.5215 8.5215 8.6226 8.6226 10.6919 10.6919 13.4504 13.4504 13.9261 13.9261 k =-0.1631 0.2408 0.2908 ( 7768 PWs) bands (ev): -38.4683 -38.4683 -38.4487 -38.4487 2.0235 2.0235 2.2492 2.2492 2.2821 2.2821 2.6151 2.6151 2.7193 2.7193 2.9884 2.9884 3.1468 3.1468 3.3102 3.3102 3.4062 3.4062 3.7704 3.7704 3.9899 3.9899 8.6765 8.6765 8.7631 8.7631 10.5940 10.5940 13.4184 13.4184 13.8344 13.8344 k =-0.1568 0.2315 0.2796 ( 7760 PWs) bands (ev): -38.4685 -38.4685 -38.4485 -38.4485 1.9997 1.9997 2.2546 2.2546 2.2852 2.2852 2.6211 2.6211 2.7011 2.7011 2.9910 2.9910 3.1327 3.1327 3.2983 3.2983 3.3908 3.3908 3.7747 3.7747 3.9794 3.9794 8.8321 8.8321 8.9034 8.9034 10.5027 10.5027 13.3869 13.3869 13.7454 13.7454 k =-0.1505 0.2223 0.2684 ( 7754 PWs) bands (ev): -38.4688 -38.4688 -38.4483 -38.4483 1.9740 1.9740 2.2594 2.2594 2.2890 2.2890 2.6255 2.6255 2.6829 2.6829 2.9905 2.9905 3.1219 3.1219 3.2862 3.2862 3.3822 3.3822 3.7791 3.7791 3.9688 3.9688 8.9860 8.9860 9.0436 9.0436 10.4198 10.4198 13.3560 13.3560 13.6595 13.6595 k =-0.1443 0.2130 0.2572 ( 7754 PWs) bands (ev): -38.4690 -38.4690 -38.4481 -38.4481 1.9466 1.9466 2.2635 2.2635 2.2937 2.2937 2.6281 2.6281 2.6652 2.6652 2.9859 2.9859 3.1163 3.1163 3.2743 3.2743 3.3794 3.3794 3.7833 3.7833 3.9580 3.9580 9.1318 9.1318 9.1870 9.1870 10.3485 10.3485 13.3256 13.3256 13.5770 13.5770 k =-0.1380 0.2037 0.2461 ( 7746 PWs) bands (ev): -38.4692 -38.4692 -38.4479 -38.4479 1.9176 1.9176 2.2665 2.2665 2.2995 2.2995 2.6280 2.6280 2.6492 2.6492 2.9772 2.9772 3.1159 3.1159 3.2632 3.2632 3.3809 3.3809 3.7874 3.7874 3.9472 3.9472 9.2584 9.2584 9.3392 9.3392 10.2940 10.2940 13.2954 13.2954 13.4980 13.4980 k =-0.1317 0.1945 0.2349 ( 7736 PWs) bands (ev): -38.4694 -38.4694 -38.4478 -38.4478 1.8875 1.8875 2.2687 2.2687 2.3062 2.3062 2.6212 2.6212 2.6389 2.6389 2.9658 2.9658 3.1194 3.1194 3.2541 3.2541 3.3856 3.3856 3.7912 3.7912 3.9362 3.9362 9.3593 9.3593 9.4988 9.4988 10.2642 10.2642 13.2650 13.2650 13.4232 13.4232 k =-0.1254 0.1852 0.2237 ( 7740 PWs) bands (ev): -38.4696 -38.4696 -38.4476 -38.4476 1.8564 1.8564 2.2701 2.2701 2.3137 2.3137 2.6074 2.6074 2.6352 2.6352 2.9529 2.9529 3.1244 3.1244 3.2480 3.2480 3.3926 3.3926 3.7946 3.7946 3.9252 3.9252 9.4284 9.4284 9.6620 9.6620 10.2688 10.2688 13.2334 13.2334 13.3534 13.3534 k =-0.1192 0.1759 0.2125 ( 7742 PWs) bands (ev): -38.4698 -38.4698 -38.4474 -38.4474 1.8247 1.8247 2.2709 2.2709 2.3217 2.3217 2.5921 2.5921 2.6328 2.6328 2.9397 2.9397 3.1291 3.1291 3.2458 3.2458 3.4014 3.4014 3.7976 3.7976 3.9141 3.9141 9.4606 9.4606 9.8273 9.8273 10.3140 10.3140 13.1985 13.1985 13.2907 13.2907 k =-0.1129 0.1667 0.2013 ( 7738 PWs) bands (ev): -38.4700 -38.4700 -38.4472 -38.4472 1.7927 1.7927 2.2711 2.2711 2.3301 2.3301 2.5770 2.5770 2.6302 2.6302 2.9267 2.9267 3.1317 3.1317 3.2484 3.2484 3.4117 3.4117 3.8001 3.8001 3.9030 3.9030 9.4590 9.4590 9.9940 9.9940 10.3974 10.3974 13.1572 13.1572 13.2379 13.2379 k =-0.1066 0.1574 0.1901 ( 7734 PWs) bands (ev): -38.4701 -38.4701 -38.4471 -38.4471 1.7608 1.7608 2.2710 2.2710 2.3387 2.3387 2.5626 2.5626 2.6272 2.6272 2.9142 2.9142 3.1318 3.1318 3.2555 3.2555 3.4232 3.4232 3.8022 3.8022 3.8918 3.8918 9.4329 9.4329 10.1616 10.1616 10.5097 10.5097 13.1083 13.1083 13.1955 13.1955 k =-0.1004 0.1482 0.1790 ( 7724 PWs) bands (ev): -38.4703 -38.4703 -38.4470 -38.4470 1.7292 1.7292 2.2705 2.2705 2.3474 2.3474 2.5491 2.5491 2.6240 2.6240 2.9024 2.9024 3.1296 3.1296 3.2664 3.2664 3.4356 3.4356 3.8038 3.8038 3.8806 3.8806 9.3922 9.3922 10.3298 10.3298 10.6413 10.6413 13.0554 13.0554 13.1588 13.1588 k =-0.0941 0.1389 0.1678 ( 7720 PWs) bands (ev): -38.4705 -38.4705 -38.4468 -38.4468 1.6982 1.6982 2.2697 2.2697 2.3561 2.3561 2.5364 2.5364 2.6206 2.6206 2.8913 2.8913 3.1259 3.1259 3.2799 3.2799 3.4490 3.4490 3.8048 3.8048 3.8696 3.8696 9.3435 9.3435 10.4984 10.4984 10.7853 10.7853 13.0024 13.0024 13.1223 13.1223 k =-0.0878 0.1296 0.1566 ( 7716 PWs) bands (ev): -38.4706 -38.4706 -38.4467 -38.4467 1.6681 1.6681 2.2685 2.2685 2.3647 2.3647 2.5248 2.5248 2.6172 2.6172 2.8808 2.8808 3.1213 3.1213 3.2950 3.2950 3.4631 3.4631 3.8053 3.8053 3.8586 3.8586 9.2914 9.2914 10.6669 10.6669 10.9371 10.9371 12.9510 12.9510 13.0827 13.0827 k =-0.0815 0.1204 0.1454 ( 7720 PWs) bands (ev): -38.4708 -38.4708 -38.4466 -38.4466 1.6392 1.6392 2.2672 2.2672 2.3731 2.3731 2.5141 2.5141 2.6139 2.6139 2.8711 2.8711 3.1164 3.1164 3.3108 3.3108 3.4779 3.4779 3.8049 3.8049 3.8479 3.8479 9.2384 9.2384 10.8352 10.8352 11.0938 11.0938 12.9024 12.9024 13.0403 13.0403 k =-0.0753 0.1111 0.1342 ( 7716 PWs) bands (ev): -38.4709 -38.4709 -38.4465 -38.4465 1.6117 1.6117 2.2656 2.2656 2.3812 2.3812 2.5044 2.5044 2.6108 2.6108 2.8620 2.8620 3.1115 3.1115 3.3268 3.3268 3.4933 3.4933 3.8036 3.8036 3.8378 3.8378 9.1863 9.1863 11.0027 11.0027 11.2536 11.2536 12.8568 12.8568 12.9976 12.9976 k =-0.0690 0.1019 0.1230 ( 7724 PWs) bands (ev): -38.4710 -38.4710 -38.4464 -38.4464 1.5858 1.5858 2.2639 2.2639 2.3888 2.3888 2.4957 2.4957 2.6079 2.6079 2.8535 2.8535 3.1067 3.1067 3.3426 3.3426 3.5090 3.5090 3.8010 3.8010 3.8286 3.8286 9.1362 9.1362 11.1691 11.1691 11.4148 11.4148 12.8145 12.8145 12.9564 12.9564 k =-0.0627 0.0926 0.1118 ( 7724 PWs) bands (ev): -38.4711 -38.4711 -38.4463 -38.4463 1.5616 1.5616 2.2620 2.2620 2.3960 2.3960 2.4880 2.4880 2.6054 2.6054 2.8456 2.8456 3.1022 3.1022 3.3579 3.3579 3.5250 3.5250 3.7965 3.7965 3.8210 3.8210 9.0888 9.0888 11.3337 11.3337 11.5762 11.5762 12.7757 12.7757 12.9178 12.9178 k =-0.0565 0.0833 0.1007 ( 7716 PWs) bands (ev): -38.4712 -38.4712 -38.4462 -38.4462 1.5394 1.5394 2.2601 2.2601 2.4025 2.4025 2.4814 2.4814 2.6033 2.6033 2.8383 2.8383 3.0980 3.0980 3.3724 3.3724 3.5410 3.5410 3.7897 3.7897 3.8154 3.8154 9.0448 9.0448 11.4960 11.4960 11.7365 11.7365 12.7404 12.7404 12.8823 12.8823 k =-0.0502 0.0741 0.0895 ( 7719 PWs) bands (ev): -38.4713 -38.4713 -38.4461 -38.4461 1.5191 1.5191 2.2581 2.2581 2.4083 2.4083 2.4758 2.4758 2.6015 2.6015 2.8315 2.8315 3.0942 3.0942 3.3859 3.3859 3.5569 3.5569 3.7812 3.7812 3.8113 3.8113 9.0045 9.0045 11.6549 11.6549 11.8941 11.8941 12.7089 12.7089 12.8504 12.8504 k =-0.0439 0.0648 0.0783 ( 7719 PWs) bands (ev): -38.4714 -38.4714 -38.4460 -38.4460 1.5010 1.5010 2.2562 2.2562 2.4132 2.4132 2.4713 2.4713 2.6001 2.6001 2.8255 2.8255 3.0908 3.0908 3.3984 3.3984 3.5725 3.5725 3.7718 3.7718 3.8081 3.8081 8.9683 8.9683 11.8096 11.8096 12.0472 12.0472 12.6811 12.6811 12.8223 12.8223 k =-0.0376 0.0556 0.0671 ( 7721 PWs) bands (ev): -38.4715 -38.4715 -38.4460 -38.4460 1.4852 1.4852 2.2544 2.2544 2.4172 2.4172 2.4678 2.4678 2.5991 2.5991 2.8201 2.8201 3.0879 3.0879 3.4096 3.4096 3.5876 3.5876 3.7622 3.7622 3.8052 3.8052 8.9364 8.9364 11.9587 11.9587 12.1935 12.1935 12.6573 12.6573 12.7983 12.7983 k =-0.0314 0.0463 0.0559 ( 7731 PWs) bands (ev): -38.4715 -38.4715 -38.4459 -38.4459 1.4716 1.4716 2.2527 2.2527 2.4202 2.4202 2.4653 2.4653 2.5984 2.5984 2.8153 2.8153 3.0853 3.0853 3.4194 3.4194 3.6019 3.6019 3.7526 3.7526 3.8027 3.8027 8.9091 8.9091 12.1003 12.1003 12.3296 12.3296 12.6376 12.6376 12.7788 12.7788 k =-0.0251 0.0370 0.0447 ( 7735 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4604 1.4604 2.2513 2.2513 2.4224 2.4224 2.4637 2.4637 2.5980 2.5980 2.8114 2.8114 3.0833 3.0833 3.4277 3.4277 3.6151 3.6151 3.7434 3.7434 3.8004 3.8004 8.8866 8.8866 12.2322 12.2322 12.4508 12.4508 12.6226 12.6226 12.7644 12.7644 k =-0.0188 0.0278 0.0336 ( 7725 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4517 1.4517 2.2501 2.2501 2.4237 2.4237 2.4628 2.4628 2.5977 2.5977 2.8082 2.8082 3.0817 3.0817 3.4343 3.4343 3.6268 3.6268 3.7349 3.7349 3.7984 3.7984 8.8689 8.8689 12.3508 12.3508 12.5496 12.5496 12.6140 12.6140 12.7565 12.7565 k =-0.0125 0.0185 0.0224 ( 7725 PWs) bands (ev): -38.4716 -38.4716 -38.4458 -38.4458 1.4454 1.4454 2.2493 2.2493 2.4245 2.4245 2.4623 2.4623 2.5976 2.5976 2.8059 2.8059 3.0805 3.0805 3.4391 3.4391 3.6364 3.6364 3.7277 3.7277 3.7969 3.7969 8.8562 8.8562 12.4491 12.4491 12.6053 12.6053 12.6266 12.6266 12.7555 12.7555 k =-0.0063 0.0093 0.0112 ( 7729 PWs) bands (ev): -38.4717 -38.4717 -38.4458 -38.4458 1.4417 1.4417 2.2488 2.2488 2.4249 2.4249 2.4622 2.4622 2.5975 2.5975 2.8046 2.8046 3.0798 3.0798 3.4420 3.4420 3.6429 3.6429 3.7226 3.7226 3.7960 3.7960 8.8485 8.8485 12.5115 12.5115 12.6266 12.6266 12.6562 12.6562 12.7515 12.7515 k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -38.4717 -38.4717 -38.4458 -38.4458 1.4404 1.4404 2.2486 2.2486 2.4250 2.4250 2.4621 2.4621 2.5975 2.5975 2.8041 2.8041 3.0796 3.0796 3.4430 3.4430 3.6453 3.6453 3.7207 3.7207 3.7957 3.7957 8.8460 8.8460 12.5293 12.5293 12.6469 12.6469 12.6645 12.6645 12.7402 12.7402 k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -38.4717 -38.4717 -38.4458 -38.4458 1.4404 1.4404 2.2486 2.2486 2.4250 2.4250 2.4621 2.4621 2.5975 2.5975 2.8041 2.8041 3.0796 3.0796 3.4430 3.4430 3.6453 3.6453 3.7207 3.7207 3.7957 3.7957 8.8460 8.8460 12.5293 12.5293 12.6469 12.6469 12.6645 12.6645 12.7402 12.7402 k = 0.0132 0.0089 0.0000 ( 7713 PWs) bands (ev): -38.4716 -38.4716 -38.4458 -38.4458 1.4418 1.4418 2.2471 2.2471 2.4244 2.4244 2.4626 2.4626 2.5975 2.5975 2.8045 2.8045 3.0788 3.0788 3.4445 3.4445 3.6463 3.6463 3.7205 3.7205 3.7966 3.7966 8.8348 8.8348 12.4732 12.4732 12.5225 12.5225 12.7651 12.7651 12.7902 12.7902 k = 0.0263 0.0178 0.0000 ( 7709 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4461 1.4461 2.2429 2.2429 2.4227 2.4227 2.4639 2.4639 2.5973 2.5973 2.8060 2.8060 3.0764 3.0764 3.4487 3.4487 3.6492 3.6492 3.7199 3.7199 3.7992 3.7992 8.8018 8.8018 12.3641 12.3641 12.3910 12.3910 12.8047 12.8047 12.9253 12.9253 k = 0.0395 0.0267 0.0000 ( 7709 PWs) bands (ev): -38.4716 -38.4716 -38.4459 -38.4459 1.4532 1.4532 2.2362 2.2362 2.4198 2.4198 2.4657 2.4657 2.5970 2.5970 2.8085 2.8085 3.0726 3.0726 3.4558 3.4558 3.6540 3.6540 3.7188 3.7188 3.8035 3.8035 8.7480 8.7480 12.2427 12.2427 12.2609 12.2609 12.8562 12.8562 13.0616 13.0616 k = 0.0526 0.0356 0.0000 ( 7713 PWs) bands (ev): -38.4715 -38.4715 -38.4460 -38.4460 1.4632 1.4632 2.2275 2.2275 2.4159 2.4159 2.4674 2.4674 2.5965 2.5965 2.8123 2.8123 3.0674 3.0674 3.4653 3.4653 3.6608 3.6608 3.7174 3.7174 3.8095 3.8095 8.6755 8.6755 12.1182 12.1182 12.1322 12.1322 12.9217 12.9217 13.1989 13.1989 k = 0.0658 0.0446 0.0000 ( 7713 PWs) bands (ev): -38.4714 -38.4714 -38.4461 -38.4461 1.4760 1.4760 2.2172 2.2172 2.4109 2.4109 2.4686 2.4686 2.5956 2.5956 2.8176 2.8176 3.0611 3.0611 3.4771 3.4771 3.6693 3.6693 3.7158 3.7158 3.8169 3.8169 8.5864 8.5864 11.9934 11.9934 12.0052 12.0052 12.9993 12.9993 13.3371 13.3371 k = 0.0789 0.0535 0.0000 ( 7725 PWs) bands (ev): -38.4713 -38.4713 -38.4462 -38.4462 1.4916 1.4916 2.2058 2.2058 2.4051 2.4051 2.4687 2.4687 2.5944 2.5944 2.8245 2.8245 3.0540 3.0540 3.4909 3.4909 3.6795 3.6795 3.7140 3.7140 3.8256 3.8256 8.4831 8.4831 11.8692 11.8692 11.8799 11.8799 13.0857 13.0857 13.4761 13.4761 k = 0.0921 0.0624 0.0000 ( 7733 PWs) bands (ev): -38.4711 -38.4711 -38.4464 -38.4464 1.5100 1.5100 2.1936 2.1936 2.3985 2.3985 2.4674 2.4674 2.5926 2.5926 2.8333 2.8333 3.0462 3.0462 3.5063 3.5063 3.6914 3.6914 3.7123 3.7123 3.8356 3.8356 8.3679 8.3679 11.7463 11.7463 11.7563 11.7563 13.1777 13.1777 13.6158 13.6158 k = 0.1053 0.0713 0.0000 ( 7737 PWs) bands (ev): -38.4710 -38.4710 -38.4465 -38.4465 1.5312 1.5312 2.1810 2.1810 2.3911 2.3911 2.4645 2.4645 2.5901 2.5901 2.8440 2.8440 3.0381 3.0381 3.5227 3.5227 3.7047 3.7047 3.7110 3.7110 3.8466 3.8466 8.2428 8.2428 11.6250 11.6250 11.6347 11.6347 13.2718 13.2718 13.7560 13.7560 k = 0.1184 0.0802 0.0000 ( 7745 PWs) bands (ev): -38.4708 -38.4708 -38.4467 -38.4467 1.5552 1.5552 2.1682 2.1682 2.3831 2.3831 2.4601 2.4601 2.5869 2.5869 2.8564 2.8564 3.0300 3.0300 3.5394 3.5394 3.7106 3.7106 3.7194 3.7194 3.8585 3.8585 8.1099 8.1099 11.5055 11.5055 11.5152 11.5152 13.3652 13.3652 13.8967 13.8967 k = 0.1316 0.0891 0.0000 ( 7733 PWs) bands (ev): -38.4706 -38.4706 -38.4469 -38.4469 1.5819 1.5819 2.1555 2.1555 2.3747 2.3747 2.4540 2.4540 2.5826 2.5826 2.8704 2.8704 3.0221 3.0221 3.5556 3.5556 3.7117 3.7117 3.7352 3.7352 3.8713 3.8713 7.9707 7.9707 11.3880 11.3880 11.3977 11.3977 13.4554 13.4554 14.0378 14.0378 k = 0.1447 0.0980 0.0000 ( 7733 PWs) bands (ev): -38.4704 -38.4704 -38.4471 -38.4471 1.6113 1.6113 2.1430 2.1430 2.3658 2.3658 2.4466 2.4466 2.5774 2.5774 2.8859 2.8859 3.0149 3.0149 3.5701 3.5701 3.7154 3.7154 3.7521 3.7521 3.8847 3.8847 7.8267 7.8267 11.2728 11.2728 11.2825 11.2825 13.5408 13.5408 14.1789 14.1789 k = 0.1579 0.1069 0.0000 ( 7733 PWs) bands (ev): -38.4701 -38.4701 -38.4474 -38.4474 1.6434 1.6434 2.1309 2.1309 2.3566 2.3566 2.4380 2.4380 2.5710 2.5710 2.9025 2.9025 3.0084 3.0084 3.5816 3.5816 3.7226 3.7226 3.7698 3.7698 3.8988 3.8988 7.6791 7.6791 11.1598 11.1598 11.1697 11.1697 13.6204 13.6204 14.3197 14.3197 k = 0.1711 0.1159 0.0000 ( 7737 PWs) bands (ev): -38.4698 -38.4698 -38.4476 -38.4476 1.6782 1.6782 2.1193 2.1193 2.3471 2.3471 2.4283 2.4283 2.5633 2.5633 2.9201 2.9201 3.0030 3.0030 3.5892 3.5892 3.7343 3.7343 3.7881 3.7881 3.9136 3.9136 7.5289 7.5289 11.0494 11.0494 11.0593 11.0593 13.6940 13.6940 14.4589 14.4589 k = 0.1842 0.1248 0.0000 ( 7733 PWs) bands (ev): -38.4695 -38.4695 -38.4479 -38.4479 1.7155 1.7155 2.1082 2.1082 2.3375 2.3375 2.4178 2.4178 2.5544 2.5544 2.9384 2.9384 2.9988 2.9988 3.5925 3.5925 3.7505 3.7505 3.8067 3.8067 3.9289 3.9289 7.3770 7.3770 10.9416 10.9416 10.9515 10.9515 13.7618 13.7618 14.5891 14.5891 k = 0.1974 0.1337 0.0000 ( 7745 PWs) bands (ev): -38.4692 -38.4692 -38.4482 -38.4482 1.7553 1.7553 2.0979 2.0979 2.3279 2.3279 2.4068 2.4068 2.5443 2.5443 2.9572 2.9572 2.9960 2.9960 3.5922 3.5922 3.7705 3.7705 3.8256 3.8256 3.9448 3.9448 7.2241 7.2241 10.8365 10.8365 10.8465 10.8465 13.8243 13.8243 14.6623 14.6623 k = 0.2105 0.1426 0.0000 ( 7753 PWs) bands (ev): -38.4689 -38.4689 -38.4486 -38.4486 1.7975 1.7975 2.0883 2.0883 2.3182 2.3182 2.3953 2.3953 2.5330 2.5330 2.9761 2.9761 2.9946 2.9946 3.5890 3.5890 3.7934 3.7934 3.8444 3.8444 3.9613 3.9613 7.0710 7.0710 10.7344 10.7344 10.7443 10.7443 13.8821 13.8821 14.6818 14.6818 k = 0.2237 0.1515 0.0000 ( 7753 PWs) bands (ev): -38.4686 -38.4686 -38.4489 -38.4489 1.8420 1.8420 2.0795 2.0795 2.3086 2.3086 2.3836 2.3836 2.5206 2.5206 2.9947 2.9947 2.9951 2.9951 3.5836 3.5836 3.8184 3.8184 3.8629 3.8629 3.9785 3.9785 6.9180 6.9180 10.6352 10.6352 10.6451 10.6451 13.9360 13.9360 14.6930 14.6930 k = 0.2368 0.1604 0.0000 ( 7773 PWs) bands (ev): -38.4682 -38.4682 -38.4493 -38.4493 1.8886 1.8886 2.0716 2.0716 2.2991 2.2991 2.3717 2.3717 2.5075 2.5075 2.9963 2.9963 3.0138 3.0138 3.5767 3.5767 3.8447 3.8447 3.8809 3.8809 3.9963 3.9963 6.7657 6.7657 10.5393 10.5393 10.5490 10.5490 13.9864 13.9864 14.7021 14.7021 k = 0.2500 0.1693 0.0000 ( 7757 PWs) bands (ev): -38.4679 -38.4679 -38.4496 -38.4496 1.9372 1.9372 2.0645 2.0645 2.2897 2.2897 2.3598 2.3598 2.4937 2.4937 2.9994 2.9994 3.0321 3.0321 3.5686 3.5686 3.8718 3.8718 3.8983 3.8983 4.0148 4.0148 6.6146 6.6146 10.4466 10.4466 10.4562 10.4562 14.0339 14.0339 14.7101 14.7101 k = 0.2632 0.1782 0.0000 ( 7749 PWs) bands (ev): -38.4675 -38.4675 -38.4500 -38.4500 1.9875 1.9875 2.0585 2.0585 2.2806 2.2806 2.3481 2.3481 2.4797 2.4797 3.0038 3.0038 3.0498 3.0498 3.5595 3.5595 3.8993 3.8993 3.9150 3.9150 4.0339 4.0339 6.4649 6.4649 10.3575 10.3575 10.3669 10.3669 14.0790 14.0790 14.7173 14.7173 k = 0.2763 0.1872 0.0000 ( 7753 PWs) bands (ev): -38.4671 -38.4671 -38.4504 -38.4504 2.0389 2.0389 2.0533 2.0533 2.2718 2.2718 2.3365 2.3365 2.4660 2.4660 3.0096 3.0096 3.0666 3.0666 3.5498 3.5498 3.9269 3.9269 3.9310 3.9310 4.0536 4.0536 6.3171 6.3171 10.2719 10.2719 10.2811 10.2811 14.1221 14.1221 14.7236 14.7236 k = 0.2895 0.1961 0.0000 ( 7749 PWs) bands (ev): -38.4667 -38.4667 -38.4508 -38.4508 2.0492 2.0492 2.0908 2.0908 2.2633 2.2633 2.3253 2.3253 2.4533 2.4533 3.0166 3.0166 3.0824 3.0824 3.5395 3.5395 3.9463 3.9463 3.9544 3.9544 4.0736 4.0736 6.1715 6.1715 10.1901 10.1901 10.1990 10.1990 14.1633 14.1633 14.7291 14.7291 k = 0.3026 0.2050 0.0000 ( 7749 PWs) bands (ev): -38.4662 -38.4662 -38.4512 -38.4512 2.0461 2.0461 2.1418 2.1418 2.2552 2.2552 2.3144 2.3144 2.4428 2.4428 3.0247 3.0247 3.0970 3.0970 3.5286 3.5286 3.9610 3.9610 3.9814 3.9814 4.0939 4.0939 6.0284 6.0284 10.1122 10.1122 10.1207 10.1207 14.2030 14.2030 14.7336 14.7336 k = 0.3158 0.2139 0.0000 ( 7765 PWs) bands (ev): -38.4658 -38.4658 -38.4517 -38.4517 2.0440 2.0440 2.1894 2.1894 2.2478 2.2478 2.3039 2.3039 2.4370 2.4370 3.0340 3.0340 3.1102 3.1102 3.5174 3.5174 3.9753 3.9753 4.0078 4.0078 4.1141 4.1141 5.8880 5.8880 10.0384 10.0384 10.0466 10.0466 14.2412 14.2412 14.7370 14.7370 k = 0.3289 0.2228 0.0000 ( 7765 PWs) bands (ev): -38.4654 -38.4654 -38.4521 -38.4521 2.0429 2.0429 2.2259 2.2259 2.2444 2.2444 2.2938 2.2938 2.4401 2.4401 3.0442 3.0442 3.1217 3.1217 3.5058 3.5058 3.9894 3.9894 4.0334 4.0334 4.1342 4.1342 5.7507 5.7507 9.9688 9.9688 9.9766 9.9766 14.2781 14.2781 14.7393 14.7393 k = 0.3421 0.2317 0.0000 ( 7769 PWs) bands (ev): -38.4649 -38.4649 -38.4526 -38.4526 2.0429 2.0429 2.2291 2.2291 2.2614 2.2614 2.2843 2.2843 2.4578 2.4578 3.0555 3.0555 3.1314 3.1314 3.4939 3.4939 4.0034 4.0034 4.0580 4.0580 4.1539 4.1539 5.6169 5.6169 9.9037 9.9037 9.9109 9.9109 14.3136 14.3136 14.7403 14.7403 k = 0.3553 0.2406 0.0000 ( 7761 PWs) bands (ev): -38.4644 -38.4644 -38.4530 -38.4530 2.0439 2.0439 2.2229 2.2229 2.2725 2.2725 2.2753 2.2753 2.4923 2.4923 3.0676 3.0676 3.1392 3.1392 3.4815 3.4815 4.0177 4.0177 4.0813 4.0813 4.1731 4.1731 5.4868 5.4868 9.8430 9.8430 9.8498 9.8498 14.3480 14.3480 14.7401 14.7401 k = 0.3684 0.2495 0.0000 ( 7762 PWs) bands (ev): -38.4639 -38.4639 -38.4535 -38.4535 2.0459 2.0459 2.2161 2.2161 2.2669 2.2669 2.2727 2.2727 2.5397 2.5397 3.0807 3.0807 3.1448 3.1448 3.4687 3.4687 4.0324 4.0324 4.1033 4.1033 4.1918 4.1918 5.3608 5.3608 9.7870 9.7870 9.7933 9.7933 14.3810 14.3810 14.7385 14.7385 k = 0.3816 0.2585 0.0000 ( 7762 PWs) bands (ev): -38.4634 -38.4634 -38.4540 -38.4540 2.0490 2.0490 2.2090 2.2090 2.2591 2.2591 2.2668 2.2668 2.5943 2.5943 3.0947 3.0947 3.1481 3.1481 3.4553 3.4553 4.0478 4.0478 4.1238 4.1238 4.2098 4.2098 5.2393 5.2393 9.7359 9.7359 9.7416 9.7416 14.4129 14.4129 14.7355 14.7355 k = 0.3947 0.2674 0.0000 ( 7738 PWs) bands (ev): -38.4629 -38.4629 -38.4545 -38.4545 2.0530 2.0530 2.2015 2.2015 2.2520 2.2520 2.2583 2.2583 2.6524 2.6524 3.1096 3.1096 3.1489 3.1489 3.4410 3.4410 4.0642 4.0642 4.1424 4.1424 4.2272 4.2272 5.1227 5.1227 9.6898 9.6898 9.6949 9.6949 14.4434 14.4434 14.7310 14.7310 k = 0.4079 0.2763 0.0000 ( 7746 PWs) bands (ev): -38.4624 -38.4624 -38.4550 -38.4550 2.0581 2.0581 2.1935 2.1935 2.2455 2.2455 2.2493 2.2493 2.7116 2.7116 3.1256 3.1256 3.1471 3.1471 3.4258 3.4258 4.0819 4.0819 4.1592 4.1592 4.2441 4.2441 5.0116 5.0116 9.6487 9.6487 9.6532 9.6532 14.4727 14.4727 14.7249 14.7249 k = 0.4211 0.2852 0.0000 ( 7738 PWs) bands (ev): -38.4619 -38.4619 -38.4555 -38.4555 2.0641 2.0641 2.1845 2.1845 2.2398 2.2398 2.2410 2.2410 2.7702 2.7702 3.1425 3.1425 3.1427 3.1427 3.4093 3.4093 4.1008 4.1008 4.1738 4.1738 4.2609 4.2609 4.9063 4.9063 9.6129 9.6129 9.6168 9.6168 14.5006 14.5006 14.7173 14.7173 k = 0.4342 0.2941 0.0000 ( 7730 PWs) bands (ev): -38.4614 -38.4614 -38.4560 -38.4560 2.0711 2.0711 2.1746 2.1746 2.2341 2.2341 2.2348 2.2348 2.8269 2.8269 3.1352 3.1352 3.1611 3.1611 3.3912 3.3912 4.1208 4.1208 4.1861 4.1861 4.2783 4.2783 4.8076 4.8076 9.5825 9.5825 9.5858 9.5858 14.5271 14.5271 14.7081 14.7081 k = 0.4474 0.3030 0.0000 ( 7738 PWs) bands (ev): -38.4608 -38.4608 -38.4566 -38.4566 2.0789 2.0789 2.1638 2.1638 2.2288 2.2288 2.2305 2.2305 2.8805 2.8805 3.1247 3.1247 3.1810 3.1810 3.3713 3.3713 4.1415 4.1415 4.1958 4.1958 4.2976 4.2976 4.7160 4.7160 9.5575 9.5575 9.5601 9.5601 14.5522 14.5522 14.6972 14.6972 k = 0.4605 0.3119 0.0000 ( 7750 PWs) bands (ev): -38.4603 -38.4603 -38.4571 -38.4571 2.0876 2.0876 2.1525 2.1525 2.2251 2.2251 2.2270 2.2270 2.9298 2.9298 3.1109 3.1109 3.2025 3.2025 3.3496 3.3496 4.1615 4.1615 4.2026 4.2026 4.3205 4.3205 4.6322 4.6322 9.5381 9.5381 9.5400 9.5400 14.5758 14.5758 14.6847 14.6847 k = 0.4737 0.3208 0.0000 ( 7738 PWs) bands (ev): -38.4598 -38.4598 -38.4576 -38.4576 2.0971 2.0971 2.1409 2.1409 2.2227 2.2227 2.2243 2.2243 2.9738 2.9738 3.0933 3.0933 3.2257 3.2257 3.3261 3.3261 4.1792 4.1792 4.2062 4.2062 4.3494 4.3494 4.5567 4.5567 9.5242 9.5242 9.5255 9.5255 14.5979 14.5979 14.6706 14.6706 k = 0.4868 0.3298 0.0000 ( 7742 PWs) bands (ev): -38.4592 -38.4592 -38.4582 -38.4582 2.1073 2.1073 2.1294 2.1294 2.2216 2.2216 2.2225 2.2225 3.0121 3.0121 3.0714 3.0714 3.2503 3.2503 3.3013 3.3013 4.1930 4.1930 4.2062 4.2062 4.3866 4.3866 4.4903 4.4903 9.5160 9.5160 9.5167 9.5167 14.6185 14.6185 14.6548 14.6548 k = 0.5000 0.3387 0.0000 ( 7738 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1181 2.1181 2.1181 2.1181 2.2215 2.2215 2.2215 2.2215 3.0445 3.0445 3.0445 3.0445 3.2757 3.2757 3.2757 3.2757 4.2019 4.2019 4.2019 4.2019 4.4335 4.4335 4.4335 4.4335 9.5135 9.5135 9.5135 9.5135 14.6375 14.6375 14.6375 14.6375 k = 0.5000 0.3387 0.0000 ( 7738 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1181 2.1181 2.1181 2.1181 2.2215 2.2215 2.2215 2.2215 3.0445 3.0445 3.0445 3.0445 3.2757 3.2757 3.2757 3.2757 4.2019 4.2019 4.2019 4.2019 4.4335 4.4335 4.4335 4.4335 9.5135 9.5135 9.5135 9.5135 14.6375 14.6375 14.6375 14.6375 k = 0.4938 0.3478 0.0111 ( 7742 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1165 2.1165 2.1202 2.1202 2.2211 2.2211 2.2218 2.2218 3.0416 3.0416 3.0485 3.0485 3.2727 3.2727 3.2784 3.2784 4.1904 4.1904 4.2115 4.2115 4.4285 4.4285 4.4417 4.4417 9.5052 9.5052 9.5162 9.5162 14.6371 14.6371 14.6475 14.6475 k = 0.4876 0.3570 0.0222 ( 7734 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1153 2.1153 2.1227 2.1227 2.2204 2.2204 2.2220 2.2220 3.0396 3.0396 3.0534 3.0534 3.2692 3.2692 3.2807 3.2807 4.1769 4.1769 4.2191 4.2191 4.4268 4.4268 4.4530 4.4530 9.4809 9.4809 9.5239 9.5239 14.6360 14.6360 14.6773 14.6773 k = 0.4814 0.3662 0.0332 ( 7710 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1144 2.1144 2.1259 2.1259 2.2192 2.2192 2.2225 2.2225 3.0386 3.0386 3.0592 3.0592 3.2654 3.2654 3.2828 3.2828 4.1617 4.1617 4.2250 4.2250 4.4283 4.4283 4.4672 4.4672 9.4411 9.4411 9.5366 9.5366 14.6341 14.6341 14.7263 14.7263 k = 0.4751 0.3754 0.0443 ( 7710 PWs) bands (ev): -38.4588 -38.4588 -38.4586 -38.4586 2.1138 2.1138 2.1296 2.1296 2.2176 2.2176 2.2231 2.2231 3.0384 3.0384 3.0658 3.0658 3.2613 3.2613 3.2846 3.2846 4.1451 4.1451 4.2294 4.2294 4.4327 4.4327 4.4839 4.4839 9.3866 9.3866 9.5545 9.5545 14.6316 14.6316 14.7936 14.7936 k = 0.4689 0.3845 0.0554 ( 7710 PWs) bands (ev): -38.4588 -38.4588 -38.4586 -38.4586 2.1133 2.1133 2.1339 2.1339 2.2157 2.2157 2.2238 2.2238 3.0389 3.0389 3.0733 3.0733 3.2568 3.2568 3.2862 3.2862 4.1275 4.1275 4.2325 4.2325 4.4400 4.4400 4.5028 4.5028 9.3187 9.3187 9.5773 9.5773 14.6282 14.6282 14.8779 14.8779 k = 0.4627 0.3937 0.0665 ( 7724 PWs) bands (ev): -38.4589 -38.4589 -38.4585 -38.4585 2.1130 2.1130 2.1387 2.1387 2.2136 2.2136 2.2248 2.2248 3.0400 3.0400 3.0814 3.0814 3.2522 3.2522 3.2877 3.2877 4.1090 4.1090 4.2346 4.2346 4.4500 4.4500 4.5236 4.5236 9.2386 9.2386 9.6052 9.6052 14.6241 14.6241 14.9779 14.9779 k = 0.4565 0.4029 0.0776 ( 7730 PWs) bands (ev): -38.4589 -38.4589 -38.4584 -38.4584 2.1128 2.1128 2.1440 2.1440 2.2113 2.2113 2.2259 2.2259 3.0416 3.0416 3.0900 3.0900 3.2474 3.2474 3.2892 3.2892 4.0901 4.0901 4.2360 4.2360 4.4625 4.4625 4.5461 4.5461 9.1476 9.1476 9.6380 9.6380 14.6193 14.6193 15.0921 15.0921 k = 0.4503 0.4121 0.0887 ( 7734 PWs) bands (ev): -38.4590 -38.4590 -38.4584 -38.4584 2.1127 2.1127 2.1497 2.1497 2.2090 2.2090 2.2273 2.2273 3.0434 3.0434 3.0989 3.0989 3.2426 3.2426 3.2909 3.2909 4.0708 4.0708 4.2367 4.2367 4.4775 4.4775 4.5701 4.5701 9.0472 9.0472 9.6756 9.6756 14.6137 14.6137 15.2189 15.2189 k = 0.4441 0.4212 0.0997 ( 7734 PWs) bands (ev): -38.4591 -38.4591 -38.4583 -38.4583 2.1125 2.1125 2.1556 2.1556 2.2069 2.2069 2.2290 2.2290 3.0453 3.0453 3.1080 3.1080 3.2379 3.2379 3.2929 3.2929 4.0514 4.0514 4.2370 4.2370 4.4949 4.4949 4.5955 4.5955 8.9388 8.9388 9.7180 9.7180 14.6072 14.6072 15.3567 15.3567 k = 0.4379 0.4304 0.1108 ( 7746 PWs) bands (ev): -38.4592 -38.4592 -38.4582 -38.4582 2.1123 2.1123 2.1615 2.1615 2.2051 2.2051 2.2310 2.2310 3.0469 3.0469 3.1170 3.1170 3.2336 3.2336 3.2952 3.2952 4.0322 4.0322 4.2368 4.2368 4.5146 4.5146 4.6224 4.6224 8.8235 8.8235 9.7652 9.7652 14.6000 14.6000 15.5036 15.5036 k = 0.4316 0.4396 0.1219 ( 7756 PWs) bands (ev): -38.4592 -38.4592 -38.4581 -38.4581 2.1121 2.1121 2.1669 2.1669 2.2041 2.2041 2.2334 2.2334 3.0480 3.0480 3.1256 3.1256 3.2298 3.2298 3.2981 3.2981 4.0133 4.0133 4.2364 4.2364 4.5365 4.5365 4.6508 4.6508 8.7025 8.7025 9.8170 9.8170 14.5920 14.5920 15.6574 15.6574 k = 0.4254 0.4488 0.1330 ( 7768 PWs) bands (ev): -38.4593 -38.4593 -38.4580 -38.4580 2.1118 2.1118 2.1713 2.1713 2.2041 2.2041 2.2363 2.2363 3.0484 3.0484 3.1336 3.1336 3.2267 3.2267 3.3016 3.3016 3.9948 3.9948 4.2356 4.2356 4.5607 4.5607 4.6806 4.6806 8.5770 8.5770 9.8733 9.8733 14.5831 14.5831 15.8143 15.8143 k = 0.4192 0.4579 0.1441 ( 7764 PWs) bands (ev): -38.4594 -38.4594 -38.4579 -38.4579 2.1114 2.1114 2.1744 2.1744 2.2056 2.2056 2.2400 2.2400 3.0480 3.0480 3.1406 3.1406 3.2247 3.2247 3.3058 3.3058 3.9768 3.9768 4.2346 4.2346 4.5870 4.5870 4.7120 4.7120 8.4478 8.4478 9.9340 9.9340 14.5733 14.5733 15.9642 15.9642 k = 0.4130 0.4671 0.1551 ( 7764 PWs) bands (ev): -38.4596 -38.4596 -38.4577 -38.4577 2.1109 2.1109 2.1759 2.1759 2.2083 2.2083 2.2445 2.2445 3.0465 3.0465 3.1462 3.1462 3.2239 3.2239 3.3107 3.3107 3.9595 3.9595 4.2333 4.2333 4.6155 4.6155 4.7452 4.7452 8.3158 8.3158 9.9991 9.9991 14.5627 14.5627 16.0666 16.0666 k = 0.4068 0.4763 0.1662 ( 7766 PWs) bands (ev): -38.4597 -38.4597 -38.4576 -38.4576 2.1104 2.1104 2.1764 2.1764 2.2118 2.2118 2.2500 2.2500 3.0439 3.0439 3.1503 3.1503 3.2245 3.2245 3.3163 3.3163 3.9430 3.9430 4.2318 4.2318 4.6460 4.6460 4.7803 4.7803 8.1820 8.1820 10.0684 10.0684 14.5512 14.5512 16.0338 16.0338 k = 0.4006 0.4855 0.1773 ( 7762 PWs) bands (ev): -38.4598 -38.4598 -38.4574 -38.4574 2.1098 2.1098 2.1762 2.1762 2.2154 2.2154 2.2566 2.2566 3.0403 3.0403 3.1525 3.1525 3.2265 3.2265 3.3226 3.3226 3.9274 3.9274 4.2301 4.2301 4.6785 4.6785 4.8174 4.8174 8.0469 8.0469 10.1419 10.1419 14.5387 14.5387 15.9132 15.9132 k = 0.3944 0.4946 0.1884 ( 7762 PWs) bands (ev): -38.4600 -38.4600 -38.4573 -38.4573 2.1092 2.1092 2.1758 2.1758 2.2189 2.2189 2.2642 2.2642 3.0358 3.0358 3.1531 3.1531 3.2297 3.2297 3.3295 3.3295 3.9128 3.9128 4.2281 4.2281 4.7128 4.7128 4.8569 4.8569 7.9114 7.9114 10.2194 10.2194 14.5252 14.5252 15.7691 15.7691 k = 0.3881 0.5038 0.1995 ( 7764 PWs) bands (ev): -38.4601 -38.4601 -38.4571 -38.4571 2.1086 2.1086 2.1753 2.1753 2.2220 2.2220 2.2725 2.2725 3.0304 3.0304 3.1521 3.1521 3.2337 3.2337 3.3368 3.3368 3.8991 3.8991 4.2259 4.2259 4.7486 4.7486 4.8988 4.8988 7.7762 7.7762 10.3009 10.3009 14.5108 14.5108 15.6174 15.6174 k = 0.3819 0.5130 0.2106 ( 7756 PWs) bands (ev): -38.4603 -38.4603 -38.4569 -38.4569 2.1081 2.1081 2.1748 2.1748 2.2248 2.2248 2.2813 2.2813 3.0243 3.0243 3.1499 3.1499 3.2380 3.2380 3.3445 3.3445 3.8863 3.8863 4.2234 4.2234 4.7859 4.7859 4.9433 4.9433 7.6419 7.6419 10.3861 10.3861 14.4952 14.4952 15.4623 15.4623 k = 0.3757 0.5222 0.2216 ( 7760 PWs) bands (ev): -38.4604 -38.4604 -38.4567 -38.4567 2.1078 2.1078 2.1745 2.1745 2.2273 2.2273 2.2906 2.2906 3.0178 3.0178 3.1466 3.1466 3.2421 3.2421 3.3526 3.3526 3.8745 3.8745 4.2207 4.2207 4.8242 4.8242 4.9908 4.9908 7.5092 7.5092 10.4751 10.4751 14.4786 14.4786 15.3056 15.3056 k = 0.3695 0.5313 0.2327 ( 7754 PWs) bands (ev): -38.4606 -38.4606 -38.4565 -38.4565 2.1077 2.1077 2.1743 2.1743 2.2298 2.2298 2.3000 2.3000 3.0109 3.0109 3.1425 3.1425 3.2457 3.2457 3.3611 3.3611 3.8635 3.8635 4.2178 4.2178 4.8631 4.8631 5.0413 5.0413 7.3790 7.3790 10.5678 10.5678 14.4608 14.4608 15.1482 15.1482 k = 0.3633 0.5405 0.2438 ( 7744 PWs) bands (ev): -38.4607 -38.4607 -38.4563 -38.4563 2.1078 2.1078 2.1741 2.1741 2.2320 2.2320 2.3095 2.3095 3.0038 3.0038 3.1376 3.1376 3.2485 3.2485 3.3700 3.3700 3.8533 3.8533 4.2145 4.2145 4.9021 4.9021 5.0951 5.0951 7.2520 7.2520 10.6639 10.6639 14.4416 14.4416 14.9908 14.9908 k = 0.3571 0.5497 0.2549 ( 7748 PWs) bands (ev): -38.4609 -38.4609 -38.4561 -38.4561 2.1082 2.1082 2.1740 2.1740 2.2343 2.2343 2.3189 2.3189 2.9967 2.9967 3.1321 3.1321 3.2502 3.2502 3.3794 3.3794 3.8436 3.8436 4.2111 4.2111 4.9404 4.9404 5.1522 5.1522 7.1295 7.1295 10.7635 10.7635 14.4208 14.4208 14.8340 14.8340 k = 0.3508 0.5589 0.2660 ( 7744 PWs) bands (ev): -38.4611 -38.4611 -38.4559 -38.4559 2.1090 2.1090 2.1740 2.1740 2.2364 2.2364 2.3282 2.3282 2.9897 2.9897 3.1260 3.1260 3.2508 3.2508 3.3894 3.3894 3.8343 3.8343 4.2073 4.2073 4.9770 4.9770 5.2130 5.2130 7.0125 7.0125 10.8665 10.8665 14.3977 14.3977 14.6788 14.6788 k = 0.3446 0.5680 0.2770 ( 7748 PWs) bands (ev): -38.4613 -38.4613 -38.4557 -38.4557 2.1102 2.1102 2.1741 2.1741 2.2385 2.2385 2.3372 2.3372 2.9828 2.9828 3.1193 3.1193 3.2501 3.2501 3.4000 3.4000 3.8251 3.8251 4.2033 4.2033 5.0108 5.0108 5.2774 5.2774 6.9025 6.9025 10.9726 10.9726 14.3692 14.3692 14.5283 14.5283 k = 0.3384 0.5772 0.2881 ( 7756 PWs) bands (ev): -38.4615 -38.4615 -38.4555 -38.4555 2.1118 2.1118 2.1742 2.1742 2.2407 2.2407 2.3461 2.3461 2.9763 2.9763 3.1120 3.1120 3.2484 3.2484 3.4111 3.4111 3.8160 3.8160 4.1990 4.1990 5.0401 5.0401 5.3455 5.3455 6.8013 6.8013 11.0819 11.0819 14.3136 14.3136 14.4046 14.4046 k = 0.3322 0.5864 0.2992 ( 7752 PWs) bands (ev): -38.4617 -38.4617 -38.4553 -38.4553 2.1137 2.1137 2.1743 2.1743 2.2428 2.2428 2.3547 2.3547 2.9700 2.9700 3.1042 3.1042 3.2458 3.2458 3.4226 3.4226 3.8066 3.8066 4.1944 4.1944 5.0631 5.0631 5.4175 5.4175 6.7110 6.7110 11.1942 11.1942 14.1880 14.1880 14.3504 14.3504 k = 0.3260 0.5956 0.3103 ( 7758 PWs) bands (ev): -38.4619 -38.4619 -38.4550 -38.4550 2.1161 2.1161 2.1744 2.1744 2.2448 2.2448 2.3631 2.3631 2.9641 2.9641 3.0959 3.0959 3.2425 3.2425 3.4346 3.4346 3.7968 3.7968 4.1896 4.1896 5.0774 5.0774 5.4933 5.4933 6.6341 6.6341 11.3095 11.3095 14.0397 14.0397 14.3188 14.3188 k = 0.3198 0.6047 0.3214 ( 7754 PWs) bands (ev): -38.4621 -38.4621 -38.4548 -38.4548 2.1189 2.1189 2.1745 2.1745 2.2469 2.2469 2.3712 2.3712 2.9586 2.9586 3.0870 3.0870 3.2386 3.2386 3.4470 3.4470 3.7864 3.7864 4.1845 4.1845 5.0807 5.0807 5.5729 5.5729 6.5730 6.5730 11.4277 11.4277 13.8886 13.8886 14.2900 14.2900 k = 0.3136 0.6139 0.3324 ( 7754 PWs) bands (ev): -38.4624 -38.4624 -38.4545 -38.4545 2.1220 2.1220 2.1747 2.1747 2.2489 2.2489 2.3791 2.3791 2.9536 2.9536 3.0776 3.0776 3.2344 3.2344 3.4596 3.4596 3.7754 3.7754 4.1791 4.1791 5.0711 5.0711 5.6565 5.6565 6.5300 6.5300 11.5486 11.5486 13.7376 13.7376 14.2611 14.2611 k = 0.3073 0.6231 0.3435 ( 7756 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1254 2.1254 2.1750 2.1750 2.2509 2.2509 2.3868 2.3868 2.9490 2.9490 3.0677 3.0677 3.2300 3.2300 3.4724 3.4724 3.7635 3.7635 4.1735 4.1735 5.0472 5.0472 5.7438 5.7438 6.5064 6.5064 11.6721 11.6721 13.5874 13.5874 14.2316 14.2316 k = 0.3073 0.6231 0.3435 ( 7756 PWs) bands (ev): -38.4626 -38.4626 -38.4543 -38.4543 2.1254 2.1254 2.1750 2.1750 2.2509 2.2509 2.3868 2.3868 2.9490 2.9490 3.0677 3.0677 3.2300 3.2300 3.4724 3.4724 3.7635 3.7635 4.1735 4.1735 5.0472 5.0472 5.7438 5.7438 6.5064 6.5064 11.6721 11.6721 13.5874 13.5874 14.2316 14.2316 k = 0.2934 0.6192 0.3482 ( 7751 PWs) bands (ev): -38.4627 -38.4627 -38.4542 -38.4542 2.1268 2.1268 2.1755 2.1755 2.2519 2.2519 2.3899 2.3899 2.9457 2.9457 3.0626 3.0626 3.2299 3.2299 3.4776 3.4776 3.7582 3.7582 4.1706 4.1706 5.0327 5.0327 5.7741 5.7741 6.5140 6.5140 11.7262 11.7262 13.4958 13.4958 14.2454 14.2454 k = 0.2794 0.6154 0.3528 ( 7747 PWs) bands (ev): -38.4628 -38.4628 -38.4541 -38.4541 2.1280 2.1280 2.1771 2.1771 2.2532 2.2532 2.3929 2.3929 2.9396 2.9396 3.0560 3.0560 3.2331 3.2331 3.4825 3.4825 3.7527 3.7527 4.1669 4.1669 5.0168 5.0168 5.7865 5.7865 6.5498 6.5498 11.7836 11.7836 13.3611 13.3611 14.2979 14.2979 k = 0.2654 0.6115 0.3575 ( 7750 PWs) bands (ev): -38.4629 -38.4629 -38.4539 -38.4539 2.1289 2.1289 2.1796 2.1796 2.2548 2.2548 2.3956 2.3956 2.9308 2.9308 3.0478 3.0478 3.2395 3.2395 3.4872 3.4872 3.7470 3.7470 4.1624 4.1624 5.0009 5.0009 5.7804 5.7804 6.6130 6.6130 11.8442 11.8442 13.2016 13.2016 14.3713 14.3713 k = 0.2515 0.6077 0.3621 ( 7756 PWs) bands (ev): -38.4631 -38.4631 -38.4538 -38.4538 2.1297 2.1297 2.1829 2.1829 2.2567 2.2567 2.3983 2.3983 2.9197 2.9197 3.0384 3.0384 3.2486 3.2486 3.4920 3.4920 3.7411 3.7411 4.1572 4.1572 4.9859 4.9859 5.7592 5.7592 6.6992 6.6992 11.9079 11.9079 13.0283 13.0283 14.4555 14.4555 k = 0.2375 0.6039 0.3668 ( 7756 PWs) bands (ev): -38.4632 -38.4632 -38.4536 -38.4536 2.1304 2.1304 2.1868 2.1868 2.2587 2.2587 2.4008 2.4008 2.9068 2.9068 3.0279 3.0279 3.2599 3.2599 3.4968 3.4968 3.7351 3.7351 4.1513 4.1513 4.9722 4.9722 5.7275 5.7275 6.8029 6.8029 11.9742 11.9742 12.8471 12.8471 14.5451 14.5451 k = 0.2235 0.6000 0.3714 ( 7756 PWs) bands (ev): -38.4634 -38.4634 -38.4535 -38.4535 2.1312 2.1312 2.1913 2.1913 2.2609 2.2609 2.4033 2.4033 2.8924 2.8924 3.0165 3.0165 3.2729 3.2729 3.5018 3.5018 3.7290 3.7290 4.1448 4.1448 4.9601 4.9601 5.6893 5.6893 6.9196 6.9196 12.0427 12.0427 12.6616 12.6616 14.6372 14.6372 k = 0.2096 0.5962 0.3761 ( 7756 PWs) bands (ev): -38.4635 -38.4635 -38.4533 -38.4533 2.1321 2.1321 2.1961 2.1961 2.2632 2.2632 2.4057 2.4057 2.8770 2.8770 3.0044 3.0044 3.2871 3.2871 3.5072 3.5072 3.7229 3.7229 4.1377 4.1377 4.9496 4.9496 5.6475 5.6475 7.0461 7.0461 12.1108 12.1108 12.4758 12.4758 14.7300 14.7300 k = 0.1956 0.5923 0.3807 ( 7757 PWs) bands (ev): -38.4637 -38.4637 -38.4532 -38.4532 2.1332 2.1332 2.2010 2.2010 2.2657 2.2657 2.4083 2.4083 2.8610 2.8610 2.9917 2.9917 3.3022 3.3022 3.5128 3.5128 3.7166 3.7166 4.1303 4.1303 4.9409 4.9409 5.6041 5.6041 7.1802 7.1802 12.1596 12.1596 12.3100 12.3100 14.8223 14.8223 k = 0.1816 0.5885 0.3854 ( 7751 PWs) bands (ev): -38.4638 -38.4638 -38.4530 -38.4530 2.1346 2.1346 2.2056 2.2056 2.2685 2.2685 2.4109 2.4109 2.8448 2.8448 2.9784 2.9784 3.3179 3.3179 3.5188 3.5188 3.7103 3.7103 4.1224 4.1224 4.9338 4.9338 5.5604 5.5604 7.3204 7.3204 12.0557 12.0557 12.2983 12.2983 14.9128 14.9128 k = 0.1676 0.5846 0.3900 ( 7755 PWs) bands (ev): -38.4640 -38.4640 -38.4529 -38.4529 2.1362 2.1362 2.2098 2.2098 2.2717 2.2717 2.4135 2.4135 2.8288 2.8288 2.9647 2.9647 3.3338 3.3338 3.5251 3.5251 3.7040 3.7040 4.1144 4.1144 4.9283 4.9283 5.5172 5.5172 7.4657 7.4657 11.8713 11.8713 12.3689 12.3689 14.9986 14.9986 k = 0.1537 0.5808 0.3947 ( 7752 PWs) bands (ev): -38.4641 -38.4641 -38.4528 -38.4528 2.1382 2.1382 2.2130 2.2130 2.2755 2.2755 2.4162 2.4162 2.8134 2.8134 2.9506 2.9506 3.3499 3.3499 3.5317 3.5317 3.6976 3.6976 4.1063 4.1063 4.9242 4.9242 5.4753 5.4753 7.6151 7.6151 11.6794 11.6794 12.4492 12.4492 15.0509 15.0509 k = 0.1397 0.5769 0.3993 ( 7753 PWs) bands (ev): -38.4642 -38.4642 -38.4526 -38.4526 2.1406 2.1406 2.2151 2.2151 2.2802 2.2802 2.4188 2.4188 2.7988 2.7988 2.9363 2.9363 3.3657 3.3657 3.5385 3.5385 3.6912 3.6912 4.0981 4.0981 4.9216 4.9216 5.4352 5.4352 7.7682 7.7682 11.4863 11.4863 12.5334 12.5334 14.9567 14.9567 k = 0.1257 0.5731 0.4040 ( 7749 PWs) bands (ev): -38.4643 -38.4643 -38.4525 -38.4525 2.1433 2.1433 2.2158 2.2158 2.2857 2.2857 2.4212 2.4212 2.7855 2.7855 2.9218 2.9218 3.3812 3.3812 3.5455 3.5455 3.6848 3.6848 4.0901 4.0901 4.9202 4.9202 5.3973 5.3973 7.9243 7.9243 11.2935 11.2935 12.6199 12.6199 14.8306 14.8306 k = 0.1118 0.5692 0.4086 ( 7753 PWs) bands (ev): -38.4644 -38.4644 -38.4524 -38.4524 2.1464 2.1464 2.2153 2.2153 2.2922 2.2922 2.4231 2.4231 2.7737 2.7737 2.9075 2.9075 3.3960 3.3960 3.5525 3.5525 3.6785 3.6785 4.0823 4.0823 4.9198 4.9198 5.3619 5.3619 8.0830 8.0830 11.1018 11.1018 12.7081 12.7081 14.7048 14.7048 k = 0.0978 0.5654 0.4133 ( 7749 PWs) bands (ev): -38.4645 -38.4645 -38.4523 -38.4523 2.1498 2.1498 2.2135 2.2135 2.2994 2.2994 2.4244 2.4244 2.7636 2.7636 2.8934 2.8934 3.4101 3.4101 3.5594 3.5594 3.6722 3.6722 4.0749 4.0749 4.9205 4.9205 5.3294 5.3294 8.2435 8.2435 10.9119 10.9119 12.7972 12.7972 14.5821 14.5821 k = 0.0838 0.5615 0.4179 ( 7750 PWs) bands (ev): -38.4646 -38.4646 -38.4522 -38.4522 2.1536 2.1536 2.2106 2.2106 2.3071 2.3071 2.4250 2.4250 2.7555 2.7555 2.8798 2.8798 3.4231 3.4231 3.5660 3.5660 3.6660 3.6660 4.0682 4.0682 4.9219 4.9219 5.3001 5.3001 8.4052 8.4052 10.7248 10.7248 12.8864 12.8864 14.4636 14.4636 k = 0.0699 0.5577 0.4226 ( 7752 PWs) bands (ev): -38.4647 -38.4647 -38.4522 -38.4522 2.1577 2.1577 2.2070 2.2070 2.3149 2.3149 2.4246 2.4246 2.7495 2.7495 2.8671 2.8671 3.4349 3.4349 3.5723 3.5723 3.6601 3.6601 4.0621 4.0621 4.9239 4.9239 5.2743 5.2743 8.5668 8.5668 10.5416 10.5416 12.9744 12.9744 14.3509 14.3509 k = 0.0559 0.5538 0.4272 ( 7758 PWs) bands (ev): -38.4647 -38.4647 -38.4521 -38.4521 2.1622 2.1622 2.2027 2.2027 2.3225 2.3225 2.4235 2.4235 2.7453 2.7453 2.8555 2.8555 3.4450 3.4450 3.5780 3.5780 3.6545 3.6545 4.0569 4.0569 4.9262 4.9262 5.2524 5.2524 8.7264 8.7264 10.3643 10.3643 13.0592 13.0593 14.2459 14.2459 k = 0.0419 0.5500 0.4318 ( 7760 PWs) bands (ev): -38.4648 -38.4648 -38.4521 -38.4521 2.1669 2.1669 2.1980 2.1980 2.3293 2.3293 2.4219 2.4219 2.7429 2.7429 2.8455 2.8455 3.4534 3.4534 3.5829 3.5829 3.6496 3.6496 4.0526 4.0526 4.9284 4.9284 5.2348 5.2348 8.8804 8.8804 10.1965 10.1965 13.1375 13.1375 14.1519 14.1519 k = 0.0279 0.5461 0.4365 ( 7760 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1718 2.1718 2.1930 2.1930 2.3349 2.3349 2.4200 2.4200 2.7418 2.7418 2.8377 2.8377 3.4596 3.4596 3.5869 3.5869 3.6456 3.6456 4.0495 4.0495 4.9304 4.9304 5.2218 5.2218 9.0208 9.0208 10.0462 10.0462 13.2039 13.2039 14.0743 14.0743 k = 0.0140 0.5423 0.4411 ( 7755 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1768 2.1768 2.1879 2.1879 2.3387 2.3387 2.4186 2.4186 2.7414 2.7414 2.8327 2.8327 3.4634 3.4634 3.5895 3.5895 3.6429 3.6429 4.0476 4.0476 4.9317 4.9317 5.2139 5.2139 9.1298 9.1298 9.9313 9.9313 13.2502 13.2502 14.0213 14.0213 k = 0.0000 0.5384 0.4458 ( 7758 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1807 2.1807 2.1840 2.1840 2.3400 2.3400 2.4180 2.4180 2.7414 2.7414 2.8310 2.8310 3.4647 3.4647 3.5904 3.5904 3.6420 3.6420 4.0470 4.0470 4.9321 4.9321 5.2112 5.2112 9.1740 9.1740 9.8851 9.8851 13.2671 13.2671 14.0021 14.0021 k = 0.0000 0.5384 0.4458 ( 7758 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1807 2.1807 2.1840 2.1840 2.3400 2.3400 2.4180 2.4180 2.7414 2.7414 2.8310 2.8310 3.4647 3.4647 3.5904 3.5904 3.6420 3.6420 4.0470 4.0470 4.9321 4.9321 5.2112 5.2112 9.1740 9.1740 9.8851 9.8851 13.2671 13.2671 14.0021 14.0021 k = 0.0063 0.5292 0.4569 ( 7758 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1810 2.1810 2.1846 2.1846 2.3400 2.3400 2.4182 2.4182 2.7408 2.7408 2.8319 2.8319 3.4644 3.4644 3.5904 3.5904 3.6424 3.6424 4.0463 4.0463 4.9323 4.9323 5.2127 5.2127 9.1739 9.1739 9.8855 9.8855 13.2499 13.2499 13.9902 13.9902 k = 0.0125 0.5200 0.4681 ( 7762 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1820 2.1820 2.1865 2.1865 2.3401 2.3401 2.4186 2.4186 2.7390 2.7390 2.8345 2.8345 3.4635 3.4635 3.5904 3.5904 3.6437 3.6437 4.0442 4.0442 4.9329 4.9329 5.2174 5.2174 9.1735 9.1735 9.8864 9.8864 13.1996 13.1996 13.9558 13.9558 k = 0.0187 0.5107 0.4792 ( 7762 PWs) bands (ev): -38.4648 -38.4648 -38.4520 -38.4520 2.1838 2.1838 2.1895 2.1895 2.3404 2.3404 2.4194 2.4194 2.7365 2.7365 2.8386 2.8386 3.4621 3.4621 3.5905 3.5905 3.6459 3.6459 4.0408 4.0408 4.9339 4.9339 5.2252 5.2252 9.1729 9.1729 9.8878 9.8878 13.1196 13.1196 13.9021 13.9021 k = 0.0250 0.5015 0.4904 ( 7760 PWs) bands (ev): -38.4648 -38.4648 -38.4521 -38.4521 2.1863 2.1863 2.1936 2.1936 2.3407 2.3407 2.4204 2.4204 2.7334 2.7334 2.8438 2.8438 3.4602 3.4602 3.5907 3.5907 3.6488 3.6488 4.0361 4.0361 4.9354 4.9354 5.2360 5.2360 9.1718 9.1718 9.8897 9.8897 13.0148 13.0148 13.8333 13.8333 k = 0.0312 0.4923 0.5015 ( 7760 PWs) bands (ev): -38.4647 -38.4647 -38.4521 -38.4521 2.1895 2.1895 2.1985 2.1985 2.3413 2.3413 2.4216 2.4216 2.7301 2.7301 2.8500 2.8500 3.4577 3.4577 3.5911 3.5911 3.6525 3.6525 4.0302 4.0302 4.9373 4.9373 5.2499 5.2499 9.1702 9.1702 9.8918 9.8918 12.8901 12.8901 13.7537 13.7537 k = 0.0375 0.4831 0.5127 ( 7760 PWs) bands (ev): -38.4647 -38.4647 -38.4522 -38.4522 2.1933 2.1933 2.2041 2.2041 2.3422 2.3422 2.4231 2.4231 2.7270 2.7270 2.8569 2.8569 3.4548 3.4548 3.5917 3.5917 3.6568 3.6568 4.0230 4.0230 4.9396 4.9396 5.2667 5.2667 9.1678 9.1678 9.8941 9.8941 12.7504 12.7504 13.6669 13.6669 k = 0.0437 0.4738 0.5238 ( 7766 PWs) bands (ev): -38.4646 -38.4646 -38.4522 -38.4522 2.1976 2.1976 2.2103 2.2103 2.3435 2.3435 2.4247 2.4247 2.7243 2.7243 2.8644 2.8644 3.4514 3.4514 3.5925 3.5925 3.6617 3.6617 4.0149 4.0149 4.9425 4.9425 5.2865 5.2865 9.1644 9.1644 9.8961 9.8961 12.5997 12.5997 13.5760 13.5760 k = 0.0500 0.4646 0.5350 ( 7774 PWs) bands (ev): -38.4645 -38.4645 -38.4523 -38.4523 2.2024 2.2024 2.2168 2.2168 2.3454 2.3454 2.4265 2.4265 2.7224 2.7224 2.8722 2.8722 3.4477 3.4477 3.5935 3.5935 3.6671 3.6671 4.0057 4.0057 4.9460 4.9460 5.3091 5.3091 9.1598 9.1598 9.8976 9.8976 12.4416 12.4416 13.4832 13.4832 k = 0.0563 0.4554 0.5461 ( 7772 PWs) bands (ev): -38.4644 -38.4644 -38.4524 -38.4524 2.2075 2.2075 2.2233 2.2233 2.3478 2.3478 2.4284 2.4284 2.7214 2.7214 2.8804 2.8804 3.4437 3.4437 3.5949 3.5949 3.6730 3.6730 3.9958 3.9958 4.9500 4.9500 5.3345 5.3345 9.1537 9.1537 9.8980 9.8980 12.2792 12.2792 13.3905 13.3905 k = 0.0625 0.4462 0.5572 ( 7766 PWs) bands (ev): -38.4643 -38.4643 -38.4525 -38.4525 2.2128 2.2128 2.2297 2.2297 2.3509 2.3509 2.4303 2.4303 2.7216 2.7216 2.8889 2.8889 3.4393 3.4393 3.5966 3.5966 3.6793 3.6793 3.9851 3.9851 4.9548 4.9548 5.3627 5.3627 9.1456 9.1456 9.8967 9.8967 12.1150 12.1150 13.2992 13.2992 k = 0.0688 0.4369 0.5684 ( 7764 PWs) bands (ev): -38.4642 -38.4642 -38.4526 -38.4526 2.2182 2.2182 2.2358 2.2358 2.3547 2.3547 2.4325 2.4325 2.7231 2.7231 2.8976 2.8976 3.4348 3.4348 3.5987 3.5987 3.6859 3.6859 3.9740 3.9740 4.9603 4.9603 5.3935 5.3935 9.1354 9.1354 9.8927 9.8927 11.9516 11.9516 13.2106 13.2106 k = 0.0750 0.4277 0.5795 ( 7762 PWs) bands (ev): -38.4641 -38.4641 -38.4527 -38.4527 2.2234 2.2234 2.2415 2.2415 2.3590 2.3590 2.4347 2.4347 2.7263 2.7263 2.9065 2.9065 3.4300 3.4300 3.6011 3.6011 3.6926 3.6926 3.9625 3.9625 4.9668 4.9668 5.4269 5.4269 9.1225 9.1225 9.8850 9.8850 11.7912 11.7912 13.1255 13.1255 k = 0.0813 0.4185 0.5907 ( 7760 PWs) bands (ev): -38.4640 -38.4640 -38.4528 -38.4528 2.2282 2.2282 2.2469 2.2469 2.3637 2.3637 2.4373 2.4373 2.7312 2.7312 2.9156 2.9156 3.4252 3.4252 3.6038 3.6038 3.6994 3.6994 3.9509 3.9509 4.9744 4.9744 5.4628 5.4628 9.1068 9.1068 9.8720 9.8720 11.6365 11.6365 13.0446 13.0446 k = 0.0875 0.4092 0.6018 ( 7766 PWs) bands (ev): -38.4638 -38.4638 -38.4529 -38.4529 2.2324 2.2324 2.2520 2.2520 2.3682 2.3682 2.4404 2.4404 2.7379 2.7379 2.9250 2.9250 3.4202 3.4202 3.6068 3.6068 3.7061 3.7061 3.9394 3.9394 4.9831 4.9831 5.5011 5.5011 9.0877 9.0877 9.8517 9.8517 11.4900 11.4900 12.9686 12.9686 k = 0.0938 0.4000 0.6130 ( 7764 PWs) bands (ev): -38.4637 -38.4637 -38.4530 -38.4530 2.2358 2.2358 2.2572 2.2572 2.3722 2.3722 2.4441 2.4441 2.7466 2.7466 2.9346 2.9346 3.4152 3.4152 3.6101 3.6101 3.7124 3.7124 3.9283 3.9283 4.9933 4.9933 5.5419 5.5419 9.0650 9.0650 9.8220 9.8220 11.3549 11.3549 12.8978 12.8978 k = 0.1000 0.3908 0.6241 ( 7766 PWs) bands (ev): -38.4636 -38.4636 -38.4532 -38.4532 2.2382 2.2382 2.2625 2.2625 2.3752 2.3752 2.4487 2.4487 2.7571 2.7571 2.9444 2.9444 3.4102 3.4102 3.6137 3.6137 3.7180 3.7180 3.9179 3.9179 5.0051 5.0051 5.5849 5.5849 9.0384 9.0384 9.7803 9.7803 11.2342 11.2342 12.8326 12.8326 k = 0.1062 0.3816 0.6353 ( 7762 PWs) bands (ev): -38.4634 -38.4634 -38.4533 -38.4533 2.2398 2.2398 2.2679 2.2679 2.3770 2.3770 2.4542 2.4542 2.7695 2.7695 2.9545 2.9545 3.4053 3.4053 3.6175 3.6175 3.7226 3.7226 3.9087 3.9087 5.0188 5.0188 5.6301 5.6301 9.0076 9.0076 9.7242 9.7242 11.1306 11.1306 12.7731 12.7731 k = 0.1125 0.3723 0.6464 ( 7766 PWs) bands (ev): -38.4632 -38.4632 -38.4535 -38.4535 2.2406 2.2406 2.2733 2.2733 2.3774 2.3774 2.4604 2.4604 2.7836 2.7836 2.9648 2.9648 3.4003 3.4003 3.6214 3.6214 3.7259 3.7259 3.9011 3.9011 5.0346 5.0346 5.6774 5.6774 8.9723 8.9723 9.6521 9.6521 11.0463 11.0463 12.7193 12.7193 k = 0.1187 0.3631 0.6575 ( 7764 PWs) bands (ev): -38.4631 -38.4631 -38.4536 -38.4536 2.2409 2.2409 2.2788 2.2788 2.3767 2.3767 2.4671 2.4671 2.7993 2.7993 2.9755 2.9755 3.3955 3.3955 3.6254 3.6254 3.7274 3.7274 3.8953 3.8953 5.0529 5.0529 5.7268 5.7268 8.9325 8.9325 9.5637 9.5637 10.9820 10.9820 12.6712 12.6712 k = 0.1250 0.3539 0.6687 ( 7764 PWs) bands (ev): -38.4629 -38.4629 -38.4538 -38.4538 2.2408 2.2408 2.2841 2.2841 2.3750 2.3750 2.4739 2.4739 2.8164 2.8164 2.9866 2.9866 3.3908 3.3908 3.6291 3.6291 3.7270 3.7270 3.8918 3.8918 5.0740 5.0740 5.7781 5.7781 8.8879 8.8879 9.4601 9.4601 10.9369 10.9369 12.6284 12.6284 k = 0.1313 0.3447 0.6798 ( 7764 PWs) bands (ev): -38.4627 -38.4627 -38.4540 -38.4540 2.2404 2.2404 2.2892 2.2892 2.3725 2.3725 2.4806 2.4806 2.8346 2.8346 2.9981 2.9981 3.3863 3.3863 3.6326 3.6326 3.7246 3.7246 3.8905 3.8905 5.0982 5.0982 5.8312 5.8312 8.8386 8.8386 9.3436 9.3436 10.9092 10.9092 12.5905 12.5905 k = 0.1375 0.3354 0.6910 ( 7764 PWs) bands (ev): -38.4625 -38.4625 -38.4541 -38.4541 2.2398 2.2398 2.2939 2.2939 2.3697 2.3697 2.4868 2.4868 2.8536 2.8536 3.0101 3.0101 3.3819 3.3819 3.6353 3.6353 3.7208 3.7208 3.8913 3.8913 5.1258 5.1258 5.8861 5.8861 8.7844 8.7844 9.2170 9.2170 10.8965 10.8965 12.5569 12.5569 k = 0.1437 0.3262 0.7021 ( 7760 PWs) bands (ev): -38.4623 -38.4623 -38.4543 -38.4543 2.2391 2.2391 2.2982 2.2982 2.3667 2.3667 2.4925 2.4925 2.8731 2.8731 3.0227 3.0227 3.3777 3.3777 3.6367 3.6367 3.7163 3.7163 3.8936 3.8936 5.1571 5.1571 5.9425 5.9425 8.7252 8.7252 9.0835 9.0835 10.8962 10.8962 12.5266 12.5266 k = 0.1500 0.3170 0.7133 ( 7764 PWs) bands (ev): -38.4621 -38.4621 -38.4545 -38.4545 2.2384 2.2384 2.3018 2.3018 2.3639 2.3639 2.4974 2.4974 2.8927 2.8927 3.0361 3.0361 3.3737 3.3737 3.6363 3.6363 3.7120 3.7120 3.8970 3.8970 5.1926 5.1926 6.0003 6.0003 8.6606 8.6606 8.9462 8.9462 10.9062 10.9062 12.4988 12.4988 k = 0.1562 0.3077 0.7244 ( 7762 PWs) bands (ev): -38.4619 -38.4619 -38.4547 -38.4547 2.2377 2.2377 2.3045 2.3045 2.3617 2.3617 2.5016 2.5016 2.9120 2.9120 3.0504 3.0504 3.3700 3.3700 3.6332 3.6332 3.7089 3.7089 3.9010 3.9010 5.2324 5.2324 6.0594 6.0594 8.5895 8.5895 8.8086 8.8086 10.9247 10.9247 12.4722 12.4722 k = 0.1625 0.2985 0.7356 ( 7756 PWs) bands (ev): -38.4616 -38.4616 -38.4549 -38.4549 2.2371 2.2371 2.3060 2.3060 2.3604 2.3604 2.5048 2.5048 2.9306 2.9306 3.0659 3.0659 3.3665 3.3665 3.6270 3.6270 3.7079 3.7079 3.9051 3.9051 5.2768 5.2768 6.1193 6.1193 8.5091 8.5091 8.6754 8.6754 10.9503 10.9503 12.4456 12.4456 k = 0.1688 0.2893 0.7467 ( 7758 PWs) bands (ev): -38.4614 -38.4614 -38.4551 -38.4551 2.2366 2.2366 2.3063 2.3063 2.3602 2.3602 2.5073 2.5073 2.9480 2.9480 3.0827 3.0827 3.3632 3.3632 3.6180 3.6180 3.7088 3.7088 3.9091 3.9091 5.3260 5.3260 6.1799 6.1799 8.4138 8.4138 8.5543 8.5543 10.9819 10.9819 12.4176 12.4176 k = 0.1750 0.2801 0.7578 ( 7756 PWs) bands (ev): -38.4612 -38.4612 -38.4554 -38.4554 2.2362 2.2362 2.3053 2.3053 2.3612 2.3612 2.5088 2.5088 2.9640 2.9640 3.1010 3.1010 3.3602 3.3602 3.6065 3.6065 3.7114 3.7114 3.9125 3.9125 5.3801 5.3801 6.2407 6.2407 8.2999 8.2999 8.4506 8.4506 11.0186 11.0186 12.3869 12.3869 k = 0.1812 0.2708 0.7690 ( 7758 PWs) bands (ev): -38.4610 -38.4610 -38.4556 -38.4556 2.2360 2.2360 2.3032 2.3032 2.3632 2.3632 2.5096 2.5096 2.9783 2.9783 3.1208 3.1208 3.3575 3.3575 3.5931 3.5931 3.7151 3.7151 3.9153 3.9153 5.4392 5.4392 6.3010 6.3010 8.1737 8.1737 8.3599 8.3599 11.0597 11.0597 12.3524 12.3524 k = 0.1875 0.2616 0.7801 ( 7758 PWs) bands (ev): -38.4607 -38.4607 -38.4558 -38.4558 2.2360 2.2360 2.3002 2.3002 2.3661 2.3661 2.5097 2.5097 2.9909 2.9909 3.1419 3.1419 3.3550 3.3550 3.5783 3.5783 3.7195 3.7195 3.9174 3.9174 5.5032 5.5032 6.3600 6.3600 8.0441 8.0441 8.2748 8.2748 11.1049 11.1049 12.3132 12.3132 k = 0.1938 0.2524 0.7913 ( 7760 PWs) bands (ev): -38.4605 -38.4605 -38.4560 -38.4560 2.2361 2.2361 2.2967 2.2967 2.3696 2.3696 2.5092 2.5092 3.0018 3.0018 3.1642 3.1642 3.3528 3.3528 3.5624 3.5624 3.7243 3.7243 3.9187 3.9187 5.5721 5.5721 6.4165 6.4165 7.9169 7.9169 8.1920 8.1920 11.1536 11.1536 12.2688 12.2688 k = 0.2000 0.2432 0.8024 ( 7758 PWs) bands (ev): -38.4603 -38.4603 -38.4563 -38.4563 2.2365 2.2365 2.2929 2.2929 2.3734 2.3734 2.5081 2.5081 3.0111 3.0111 3.1875 3.1875 3.3509 3.3509 3.5455 3.5455 3.7292 3.7292 3.9193 3.9193 5.6456 5.6456 6.4687 6.4687 7.7959 7.7959 8.1102 8.1102 11.2055 11.2055 12.2192 12.2192 k = 0.2062 0.2339 0.8136 ( 7764 PWs) bands (ev): -38.4600 -38.4600 -38.4565 -38.4565 2.2370 2.2370 2.2891 2.2891 2.3773 2.3773 2.5066 2.5066 3.0190 3.0190 3.2114 3.2114 3.3493 3.3493 3.5277 3.5277 3.7341 3.7341 3.9193 3.9193 5.7236 5.7236 6.5139 6.5139 7.6847 7.6847 8.0292 8.0292 11.2604 11.2604 12.1646 12.1646 k = 0.2125 0.2247 0.8247 ( 7768 PWs) bands (ev): -38.4598 -38.4598 -38.4567 -38.4567 2.2377 2.2377 2.2853 2.2853 2.3811 2.3811 2.5049 2.5049 3.0255 3.0255 3.2356 3.2356 3.3479 3.3479 3.5092 3.5092 3.7387 3.7387 3.9188 3.9188 5.8056 5.8056 6.5483 6.5483 7.5876 7.5876 7.9492 7.9492 11.3179 11.3179 12.1056 12.1056 k = 0.2188 0.2155 0.8359 ( 7766 PWs) bands (ev): -38.4595 -38.4595 -38.4570 -38.4570 2.2386 2.2386 2.2817 2.2817 2.3847 2.3847 2.5030 2.5030 3.0309 3.0309 3.2599 3.2599 3.3469 3.3469 3.4900 3.4900 3.7430 3.7430 3.9179 3.9179 5.8911 5.8911 6.5671 6.5671 7.5100 7.5100 7.8708 7.8708 11.3778 11.3778 12.0432 12.0432 k = 0.2250 0.2062 0.8470 ( 7760 PWs) bands (ev): -38.4593 -38.4593 -38.4572 -38.4572 2.2395 2.2395 2.2784 2.2784 2.3880 2.3880 2.5011 2.5011 3.0351 3.0351 3.2839 3.2839 3.3464 3.3464 3.4701 3.4701 3.7468 3.7468 3.9168 3.9168 5.9794 5.9794 6.5651 6.5651 7.4568 7.4568 7.7949 7.7949 11.4400 11.4400 11.9780 11.9780 k = 0.2313 0.1970 0.8581 ( 7760 PWs) bands (ev): -38.4590 -38.4590 -38.4575 -38.4575 2.2404 2.2404 2.2756 2.2756 2.3907 2.3907 2.4995 2.4995 3.0384 3.0384 3.3069 3.3069 3.3467 3.3467 3.4496 3.4496 3.7499 3.7499 3.9157 3.9157 6.0695 6.0695 6.5395 6.5395 7.4310 7.4310 7.7229 7.7229 11.5040 11.5040 11.9108 11.9108 k = 0.2375 0.1878 0.8693 ( 7750 PWs) bands (ev): -38.4587 -38.4587 -38.4577 -38.4577 2.2412 2.2412 2.2735 2.2735 2.3928 2.3928 2.4982 2.4982 3.0407 3.0407 3.3267 3.3267 3.3501 3.3501 3.4285 3.4285 3.7523 3.7523 3.9148 3.9148 6.1598 6.1598 6.4916 6.4916 7.4302 7.4302 7.6574 7.6574 11.5697 11.5697 11.8426 11.8426 k = 0.2437 0.1786 0.8804 ( 7740 PWs) bands (ev): -38.4585 -38.4585 -38.4580 -38.4580 2.2418 2.2418 2.2721 2.2721 2.3941 2.3941 2.4973 2.4973 3.0420 3.0420 3.3362 3.3362 3.3631 3.3631 3.4074 3.4074 3.7537 3.7537 3.9142 3.9142 6.2468 6.2468 6.4279 6.4279 7.4456 7.4456 7.6043 7.6043 11.6367 11.6367 11.7739 11.7739 k = 0.2500 0.1693 0.8916 ( 7736 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2420 2.2420 2.2716 2.2716 2.3945 2.3945 2.4970 2.4970 3.0425 3.0425 3.3379 3.3379 3.3780 3.3780 3.3912 3.3912 3.7542 3.7542 3.9140 3.9140 6.3053 6.3053 6.3766 6.3766 7.4572 7.4572 7.5806 7.5806 11.6997 11.6997 11.7104 11.7104 k = 0.2500 0.1693 0.8916 ( 7736 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2420 2.2420 2.2716 2.2716 2.3945 2.3945 2.4970 2.4970 3.0425 3.0425 3.3379 3.3379 3.3780 3.3780 3.3912 3.3912 3.7542 3.7542 3.9140 3.9140 6.3053 6.3053 6.3766 6.3766 7.4572 7.4572 7.5806 7.5806 11.6997 11.6997 11.7104 11.7104 k = 0.2609 0.1767 0.8827 ( 7746 PWs) bands (ev): -38.4584 -38.4584 -38.4581 -38.4581 2.2416 2.2416 2.2715 2.2715 2.3949 2.3949 2.4976 2.4976 3.0416 3.0416 3.3316 3.3316 3.3748 3.3748 3.4012 3.4012 3.7539 3.7539 3.9138 3.9138 6.2828 6.2828 6.3981 6.3981 7.4521 7.4521 7.5880 7.5880 11.6639 11.6639 11.7446 11.7446 k = 0.2717 0.1841 0.8738 ( 7750 PWs) bands (ev): -38.4585 -38.4585 -38.4580 -38.4580 2.2403 2.2403 2.2714 2.2714 2.3962 2.3962 2.4994 2.4994 3.0390 3.0390 3.3160 3.3160 3.3757 3.3757 3.4169 3.4169 3.7530 3.7530 3.9132 3.9132 6.2451 6.2451 6.4326 6.4326 7.4393 7.4393 7.6070 7.6070 11.6201 11.6201 11.7847 11.7847 k = 0.2826 0.1914 0.8649 ( 7754 PWs) bands (ev): -38.4586 -38.4586 -38.4579 -38.4579 2.2380 2.2380 2.2716 2.2716 2.3981 2.3981 2.5023 2.5023 3.0345 3.0345 3.2977 3.2977 3.3793 3.3793 3.4336 3.4336 3.7517 3.7517 3.9123 3.9123 6.2072 6.2072 6.4656 6.4656 7.4230 7.4230 7.6321 7.6321 11.5748 11.5748 11.8257 11.8257 k = 0.2935 0.1988 0.8560 ( 7759 PWs) bands (ev): -38.4587 -38.4587 -38.4578 -38.4578 2.2348 2.2348 2.2719 2.2719 2.4009 2.4009 2.5061 2.5061 3.0280 3.0280 3.2793 3.2793 3.3839 3.3839 3.4502 3.4502 3.7500 3.7500 3.9112 3.9112 6.1713 6.1713 6.4948 6.4948 7.4062 7.4062 7.6592 7.6592 11.5305 11.5305 11.8672 11.8672 k = 0.3043 0.2061 0.8471 ( 7761 PWs) bands (ev): -38.4588 -38.4588 -38.4577 -38.4577 2.2308 2.2308 2.2721 2.2721 2.4045 2.4045 2.5106 2.5106 3.0195 3.0195 3.2617 3.2617 3.3890 3.3890 3.4666 3.4666 3.7481 3.7481 3.9099 3.9099 6.1382 6.1382 6.5200 6.5200 7.3900 7.3900 7.6856 7.6856 11.4893 11.4893 11.9089 11.9089 k = 0.3152 0.2135 0.8382 ( 7755 PWs) bands (ev): -38.4589 -38.4589 -38.4576 -38.4576 2.2264 2.2264 2.2720 2.2720 2.4091 2.4091 2.5155 2.5155 3.0092 3.0092 3.2451 3.2451 3.3945 3.3945 3.4824 3.4824 3.7461 3.7461 3.9083 3.9083 6.1081 6.1081 6.5414 6.5414 7.3751 7.3751 7.7091 7.7091 11.4535 11.4535 11.9506 11.9506 k = 0.3261 0.2209 0.8293 ( 7757 PWs) bands (ev): -38.4590 -38.4590 -38.4575 -38.4575 2.2218 2.2218 2.2714 2.2714 2.4148 2.4148 2.5207 2.5207 2.9974 2.9974 3.2295 3.2295 3.4003 3.4003 3.4977 3.4977 3.7441 3.7441 3.9064 3.9064 6.0811 6.0811 6.5589 6.5589 7.3620 7.3620 7.7282 7.7282 11.4254 11.4254 11.9920 11.9920 k = 0.3370 0.2282 0.8204 ( 7763 PWs) bands (ev): -38.4590 -38.4590 -38.4575 -38.4575 2.2172 2.2172 2.2701 2.2701 2.4214 2.4214 2.5260 2.5260 2.9844 2.9844 3.2146 3.2146 3.4066 3.4066 3.5124 3.5124 3.7421 3.7421 3.9043 3.9043 6.0576 6.0576 6.5728 6.5728 7.3508 7.3508 7.7413 7.7413 11.4068 11.4068 12.0328 12.0328 k = 0.3478 0.2356 0.8116 ( 7765 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.2127 2.2127 2.2680 2.2680 2.4290 2.4290 2.5311 2.5311 2.9707 2.9707 3.2003 3.2003 3.4133 3.4133 3.5264 3.5264 3.7401 3.7401 3.9019 3.9019 6.0374 6.0374 6.5830 6.5830 7.3415 7.3415 7.7477 7.7477 11.3993 11.3993 12.0730 12.0730 k = 0.3587 0.2430 0.8027 ( 7768 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.2085 2.2085 2.2653 2.2653 2.4373 2.4373 2.5360 2.5360 2.9567 2.9567 3.1861 3.1861 3.4207 3.4207 3.5398 3.5398 3.7381 3.7381 3.8991 3.8991 6.0209 6.0209 6.5896 6.5896 7.3344 7.3344 7.7467 7.7467 11.4041 11.4041 12.1122 12.1122 k = 0.3696 0.2503 0.7938 ( 7768 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.2045 2.2045 2.2619 2.2619 2.4459 2.4459 2.5407 2.5407 2.9430 2.9430 3.1720 3.1720 3.4286 3.4286 3.5525 3.5525 3.7362 3.7362 3.8958 3.8958 6.0079 6.0079 6.5921 6.5921 7.3295 7.3295 7.7382 7.7382 11.4220 11.4220 12.1504 12.1504 k = 0.3804 0.2577 0.7849 ( 7758 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.2009 2.2009 2.2580 2.2580 2.4546 2.4546 2.5452 2.5452 2.9298 2.9298 3.1578 3.1578 3.4373 3.4373 3.5643 3.5643 3.7344 3.7344 3.8920 3.8920 5.9985 5.9985 6.5904 6.5904 7.3268 7.3268 7.7227 7.7227 11.4533 11.4533 12.1875 12.1875 k = 0.3913 0.2650 0.7760 ( 7757 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.1978 2.1978 2.2535 2.2535 2.4629 2.4629 2.5494 2.5494 2.9177 2.9177 3.1434 3.1434 3.4466 3.4466 3.5751 3.5751 3.7328 3.7328 3.8878 3.8878 5.9929 5.9929 6.5839 6.5839 7.3264 7.3264 7.7011 7.7011 11.4981 11.4981 12.2232 12.2232 k = 0.4022 0.2724 0.7671 ( 7759 PWs) bands (ev): -38.4591 -38.4591 -38.4574 -38.4574 2.1952 2.1952 2.2486 2.2486 2.4702 2.4702 2.5537 2.5537 2.9070 2.9070 3.1288 3.1288 3.4566 3.4566 3.5845 3.5845 3.7318 3.7318 3.8829 3.8829 5.9908 5.9908 6.5720 6.5720 7.3284 7.3284 7.6746 7.6746 11.5558 11.5558 12.2577 12.2577 k = 0.4130 0.2798 0.7582 ( 7766 PWs) bands (ev): -38.4591 -38.4591 -38.4575 -38.4575 2.1931 2.1931 2.2434 2.2434 2.4763 2.4763 2.5580 2.5580 2.8978 2.8978 3.1142 3.1142 3.4671 3.4671 3.5924 3.5924 3.7315 3.7315 3.8776 3.8776 5.9924 5.9924 6.5540 6.5540 7.3328 7.3328 7.6451 7.6451 11.6258 11.6258 12.2908 12.2908 k = 0.4239 0.2871 0.7493 ( 7764 PWs) bands (ev): -38.4590 -38.4590 -38.4575 -38.4575 2.1915 2.1915 2.2379 2.2379 2.4806 2.4806 2.5625 2.5625 2.8904 2.8904 3.0997 3.0997 3.4781 3.4781 3.5981 3.5981 3.7324 3.7324 3.8719 3.8719 5.9974 5.9974 6.5289 6.5289 7.3396 7.3396 7.6143 7.6143 11.7072 11.7072 12.3225 12.3225 k = 0.4348 0.2945 0.7404 ( 7764 PWs) bands (ev): -38.4590 -38.4590 -38.4576 -38.4576 2.1906 2.1906 2.2322 2.2322 2.4831 2.4831 2.5670 2.5670 2.8849 2.8849 3.0856 3.0856 3.4894 3.4894 3.6013 3.6013 3.7348 3.7348 3.8658 3.8658 6.0059 6.0059 6.4961 6.4961 7.3489 7.3489 7.5843 7.5843 11.7990 11.7990 12.3528 12.3528 k = 0.4457 0.3019 0.7315 ( 7766 PWs) bands (ev): -38.4589 -38.4589 -38.4577 -38.4577 2.1902 2.1902 2.2264 2.2264 2.4837 2.4837 2.5713 2.5713 2.8812 2.8812 3.0723 3.0723 3.5008 3.5008 3.6018 3.6018 3.7387 3.7387 3.8596 3.8596 6.0176 6.0176 6.4549 6.4549 7.3607 7.3607 7.5568 7.5568 11.9001 11.9001 12.3817 12.3817 k = 0.4565 0.3092 0.7226 ( 7764 PWs) bands (ev): -38.4588 -38.4588 -38.4578 -38.4578 2.1904 2.1904 2.2205 2.2205 2.4827 2.4827 2.5750 2.5750 2.8790 2.8790 3.0602 3.0602 3.5120 3.5120 3.5997 3.5997 3.7441 3.7441 3.8536 3.8536 6.0323 6.0323 6.4049 6.4049 7.3748 7.3748 7.5336 7.5336 12.0094 12.0094 12.4093 12.4093 k = 0.4674 0.3166 0.7137 ( 7764 PWs) bands (ev): -38.4587 -38.4587 -38.4579 -38.4579 2.1912 2.1912 2.2146 2.2146 2.4803 2.4803 2.5778 2.5778 2.8779 2.8779 3.0499 3.0499 3.5225 3.5225 3.5955 3.5955 3.7503 3.7503 3.8483 3.8483 6.0500 6.0500 6.3462 6.3462 7.3911 7.3911 7.5161 7.5161 12.1257 12.1257 12.4356 12.4356 k = 0.4783 0.3239 0.7048 ( 7762 PWs) bands (ev): -38.4586 -38.4586 -38.4580 -38.4580 2.1926 2.1926 2.2088 2.2088 2.4769 2.4769 2.5794 2.5794 2.8771 2.8771 3.0421 3.0421 3.5317 3.5317 3.5900 3.5900 3.7564 3.7564 3.8445 3.8445 6.0703 6.0703 6.2791 6.2791 7.4090 7.4090 7.5056 7.5056 12.2479 12.2479 12.4608 12.4608 k = 0.4891 0.3313 0.6960 ( 7765 PWs) bands (ev): -38.4584 -38.4584 -38.4581 -38.4581 2.1945 2.1945 2.2031 2.2031 2.4726 2.4726 2.5797 2.5797 2.8759 2.8759 3.0376 3.0376 3.5381 3.5381 3.5849 3.5849 3.7611 3.7611 3.8431 3.8431 6.0926 6.0926 6.2049 6.2049 7.4270 7.4270 7.5038 7.5038 12.3745 12.3745 12.4852 12.4852 k = 0.5000 0.3387 0.6871 ( 7764 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1960 2.1960 2.1986 2.1986 2.4678 2.4678 2.5786 2.5786 2.8734 2.8734 3.0368 3.0368 3.5393 3.5393 3.5825 3.5825 3.7635 3.7635 3.8451 3.8451 6.1056 6.1056 6.1356 6.1356 7.4434 7.4434 7.5126 7.5126 12.4948 12.4948 12.5184 12.5184 k = 0.5000 0.3387 0.6871 ( 7764 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1960 2.1960 2.1986 2.1986 2.4678 2.4678 2.5786 2.5786 2.8734 2.8734 3.0368 3.0368 3.5393 3.5393 3.5825 3.5825 3.7635 3.7635 3.8451 3.8451 6.1056 6.1056 6.1356 6.1356 7.4434 7.4434 7.5126 7.5126 12.4948 12.4948 12.5184 12.5184 k = 0.5000 0.3387 0.6714 ( 7764 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1937 2.1937 2.1964 2.1964 2.4589 2.4589 2.5747 2.5747 2.8682 2.8682 3.0392 3.0392 3.5354 3.5354 3.5817 3.5817 3.7656 3.7656 3.8519 3.8519 6.0548 6.0548 6.0821 6.0821 7.4715 7.4715 7.5395 7.5395 12.6338 12.6338 12.6575 12.6575 k = 0.5000 0.3387 0.6558 ( 7762 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1913 2.1913 2.1941 2.1941 2.4496 2.4496 2.5694 2.5694 2.8644 2.8644 3.0418 3.0418 3.5306 3.5306 3.5799 3.5799 3.7684 3.7684 3.8590 3.8590 6.0025 6.0025 6.0269 6.0269 7.5025 7.5025 7.5689 7.5689 12.7795 12.7795 12.8031 12.8031 k = 0.5000 0.3387 0.6402 ( 7766 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1888 2.1888 2.1918 2.1918 2.4400 2.4400 2.5628 2.5628 2.8622 2.8622 3.0446 3.0446 3.5250 3.5250 3.5772 3.5772 3.7719 3.7719 3.8666 3.8666 5.9489 5.9489 5.9704 5.9704 7.5364 7.5364 7.6010 7.6010 12.9315 12.9315 12.9548 12.9548 k = 0.5000 0.3387 0.6246 ( 7756 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1863 2.1863 2.1895 2.1895 2.4302 2.4302 2.5548 2.5548 2.8615 2.8615 3.0477 3.0477 3.5186 3.5186 3.5736 3.5736 3.7761 3.7761 3.8745 3.8745 5.8943 5.8943 5.9130 5.9130 7.5729 7.5729 7.6356 7.6356 13.0895 13.0895 13.1123 13.1123 k = 0.5000 0.3387 0.6090 ( 7744 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1838 2.1838 2.1872 2.1872 2.4201 2.4201 2.5455 2.5455 2.8623 2.8623 3.0511 3.0511 3.5114 3.5114 3.5690 3.5690 3.7808 3.7808 3.8828 3.8828 5.8390 5.8390 5.8551 5.8551 7.6120 7.6120 7.6727 7.6727 13.2529 13.2529 13.2751 13.2751 k = 0.5000 0.3387 0.5934 ( 7748 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1813 2.1813 2.1850 2.1850 2.4098 2.4098 2.5351 2.5351 2.8646 2.8646 3.0547 3.0547 3.5033 3.5033 3.5635 3.5635 3.7860 3.7860 3.8914 3.8914 5.7834 5.7834 5.7969 5.7969 7.6535 7.6535 7.7123 7.7123 13.4214 13.4214 13.4428 13.4428 k = 0.5000 0.3387 0.5778 ( 7752 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.1788 2.1788 2.1828 2.1828 2.3993 2.3993 2.5237 2.5237 2.8682 2.8682 3.0586 3.0586 3.4944 3.4944 3.5572 3.5572 3.7918 3.7918 3.9003 3.9003 5.7275 5.7275 5.7387 5.7387 7.6973 7.6973 7.7541 7.7541 13.5945 13.5945 13.6150 13.6150 k = 0.5000 0.3387 0.5621 ( 7760 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1764 2.1764 2.1807 2.1807 2.3887 2.3887 2.5114 2.5114 2.8729 2.8729 3.0628 3.0628 3.4848 3.4848 3.5501 3.5501 3.7979 3.7979 3.9095 3.9095 5.6717 5.6717 5.6809 5.6809 7.7433 7.7433 7.7982 7.7982 13.7719 13.7719 13.7913 13.7913 k = 0.5000 0.3387 0.5465 ( 7760 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1740 2.1740 2.1787 2.1787 2.3781 2.3781 2.4984 2.4984 2.8788 2.8788 3.0674 3.0674 3.4744 3.4744 3.5422 3.5422 3.8044 3.8044 3.9190 3.9190 5.6160 5.6160 5.6235 5.6235 7.7913 7.7913 7.8443 7.8443 13.9531 13.9531 13.9712 13.9712 k = 0.5000 0.3387 0.5309 ( 7752 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1716 2.1716 2.1768 2.1768 2.3673 2.3673 2.4848 2.4848 2.8857 2.8857 3.0721 3.0721 3.4634 3.4634 3.5336 3.5336 3.8113 3.8113 3.9286 3.9286 5.5608 5.5608 5.5667 5.5667 7.8412 7.8412 7.8925 7.8925 14.1376 14.1376 14.1543 14.1543 k = 0.5000 0.3387 0.5153 ( 7746 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1693 2.1693 2.1751 2.1751 2.3566 2.3566 2.4708 2.4708 2.8933 2.8933 3.0772 3.0772 3.4518 3.4518 3.5243 3.5243 3.8184 3.8184 3.9385 3.9385 5.5061 5.5061 5.5109 5.5109 7.8930 7.8930 7.9426 7.9426 14.3249 14.3249 14.3400 14.3400 k = 0.5000 0.3387 0.4997 ( 7750 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1671 2.1671 2.1735 2.1735 2.3460 2.3460 2.4565 2.4565 2.9017 2.9017 3.0824 3.0824 3.4397 3.4397 3.5144 3.5144 3.8259 3.8259 3.9486 3.9486 5.4521 5.4521 5.4560 5.4560 7.9464 7.9464 7.9944 7.9944 14.5142 14.5142 14.5276 14.5276 k = 0.5000 0.3387 0.4841 ( 7754 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1649 2.1649 2.1720 2.1720 2.3354 2.3354 2.4420 2.4420 2.9106 2.9106 3.0879 3.0879 3.4270 3.4270 3.5038 3.5038 3.8336 3.8336 3.9588 3.9588 5.3989 5.3989 5.4022 5.4022 8.0014 8.0014 8.0479 8.0479 14.7047 14.7047 14.7162 14.7162 k = 0.5000 0.3387 0.4685 ( 7750 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1628 2.1628 2.1707 2.1707 2.3250 2.3250 2.4274 2.4274 2.9201 2.9201 3.0935 3.0935 3.4140 3.4140 3.4927 3.4927 3.8416 3.8416 3.9691 3.9691 5.3466 5.3466 5.3496 5.3496 8.0579 8.0579 8.1029 8.1029 14.8954 14.8954 14.9048 14.9048 k = 0.5000 0.3387 0.4528 ( 7752 PWs) bands (ev): -38.4584 -38.4584 -38.4584 -38.4584 2.1608 2.1608 2.1696 2.1696 2.3148 2.3148 2.4128 2.4128 2.9300 2.9300 3.0993 3.0993 3.4006 3.4006 3.4810 3.4810 3.8498 3.8498 3.9795 3.9795 5.2952 5.2952 5.2983 5.2983 8.1156 8.1156 8.1592 8.1592 15.0847 15.0847 15.0919 15.0919 k = 0.5000 0.3387 0.4372 ( 7752 PWs) bands (ev): -38.4585 -38.4585 -38.4584 -38.4584 2.1589 2.1589 2.1687 2.1687 2.3048 2.3048 2.3982 2.3982 2.9402 2.9402 3.1051 3.1051 3.3870 3.3870 3.4689 3.4689 3.8583 3.8583 3.9901 3.9901 5.2449 5.2449 5.2483 5.2483 8.1746 8.1746 8.2169 8.2169 15.2707 15.2707 15.2758 15.2758 k = 0.5000 0.3387 0.4216 ( 7754 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1571 2.1571 2.1680 2.1680 2.2951 2.2951 2.3838 2.3838 2.9506 2.9506 3.1109 3.1109 3.3732 3.3732 3.4564 3.4564 3.8671 3.8671 4.0007 4.0007 5.1956 5.1956 5.1998 5.1998 8.2346 8.2346 8.2757 8.2757 15.4511 15.4511 15.4541 15.4541 k = 0.5000 0.3387 0.4060 ( 7754 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1553 2.1553 2.1675 2.1675 2.2858 2.2858 2.3696 2.3696 2.9611 2.9611 3.1167 3.1167 3.3593 3.3593 3.4435 3.4435 3.8761 3.8761 4.0114 4.0114 5.1475 5.1475 5.1527 5.1527 8.2956 8.2956 8.3354 8.3354 15.6224 15.6224 15.6238 15.6238 k = 0.5000 0.3387 0.3904 ( 7764 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1536 2.1536 2.1671 2.1671 2.2768 2.2768 2.3557 2.3557 2.9717 2.9717 3.1224 3.1224 3.3455 3.3455 3.4303 3.4303 3.8854 3.8854 4.0222 4.0222 5.1006 5.1006 5.1072 5.1072 8.3573 8.3573 8.3960 8.3960 15.7811 15.7811 15.7817 15.7817 k = 0.5000 0.3387 0.3748 ( 7758 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1519 2.1519 2.1669 2.1669 2.2682 2.2682 2.3420 2.3420 2.9821 2.9821 3.1278 3.1278 3.3318 3.3318 3.4170 3.4170 3.8950 3.8950 4.0330 4.0330 5.0549 5.0549 5.0631 5.0631 8.4197 8.4197 8.4572 8.4572 15.9226 15.9226 15.9234 15.9234 k = 0.5000 0.3387 0.3591 ( 7770 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1502 2.1502 2.1669 2.1669 2.2602 2.2602 2.3288 2.3288 2.9924 2.9924 3.1330 3.1330 3.3184 3.3184 3.4036 3.4036 3.9049 3.9049 4.0439 4.0439 5.0105 5.0105 5.0205 5.0205 8.4825 8.4825 8.5189 8.5189 16.0408 16.0408 16.0424 16.0424 k = 0.5000 0.3387 0.3435 ( 7774 PWs) bands (ev): -38.4585 -38.4585 -38.4585 -38.4585 2.1485 2.1485 2.1670 2.1670 2.2527 2.2527 2.3159 2.3159 3.0025 3.0025 3.1377 3.1377 3.3053 3.3053 3.3902 3.3902 3.9150 3.9150 4.0548 4.0548 4.9673 4.9673 4.9795 4.9795 8.5457 8.5457 8.5810 8.5810 16.1218 16.1218 16.1234 16.1234 k = 0.5000 0.3387 0.3279 ( 7778 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1467 2.1467 2.1672 2.1672 2.2458 2.2458 2.3036 2.3036 3.0120 3.0120 3.1420 3.1420 3.2928 3.2928 3.3770 3.3770 3.9255 3.9255 4.0657 4.0657 4.9254 4.9254 4.9400 4.9400 8.6089 8.6089 8.6431 8.6431 16.1379 16.1379 16.1392 16.1392 k = 0.5000 0.3387 0.3123 ( 7766 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1448 2.1448 2.1675 2.1675 2.2395 2.2395 2.2918 2.2918 3.0210 3.0210 3.1455 3.1455 3.2811 3.2811 3.3642 3.3642 3.9363 3.9363 4.0766 4.0766 4.8848 4.8848 4.9020 4.9020 8.6722 8.6722 8.7052 8.7052 16.0849 16.0849 16.0888 16.0888 k = 0.5000 0.3387 0.2967 ( 7774 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1429 2.1429 2.1677 2.1677 2.2340 2.2340 2.2806 2.2806 3.0293 3.0293 3.1482 3.1482 3.2702 3.2702 3.3520 3.3520 3.9473 3.9473 4.0876 4.0876 4.8454 4.8454 4.8655 4.8655 8.7351 8.7351 8.7670 8.7670 15.9976 15.9976 16.0018 16.0018 k = 0.5000 0.3387 0.2811 ( 7770 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1408 2.1408 2.1679 2.1679 2.2292 2.2292 2.2701 2.2701 3.0366 3.0366 3.1499 3.1499 3.2605 3.2605 3.3405 3.3405 3.9587 3.9587 4.0986 4.0986 4.8074 4.8074 4.8305 4.8305 8.7976 8.7976 8.8284 8.8284 15.8965 15.8965 15.9001 15.9001 k = 0.5000 0.3387 0.2655 ( 7770 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1385 2.1385 2.1678 2.1678 2.2252 2.2252 2.2604 2.2604 3.0428 3.0428 3.1504 3.1504 3.2520 3.2520 3.3299 3.3299 3.9705 3.9705 4.1095 4.1095 4.7707 4.7707 4.7969 4.7969 8.8593 8.8593 8.8889 8.8889 15.7899 15.7899 15.7924 15.7924 k = 0.5000 0.3387 0.2498 ( 7770 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1361 2.1361 2.1675 2.1675 2.2219 2.2219 2.2516 2.2516 3.0478 3.0478 3.1495 3.1495 3.2451 3.2451 3.3206 3.3206 3.9825 3.9825 4.1205 4.1205 4.7354 4.7354 4.7647 4.7647 8.9201 8.9201 8.9485 8.9485 15.6816 15.6816 15.6832 15.6832 k = 0.5000 0.3387 0.2342 ( 7766 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1337 2.1337 2.1668 2.1668 2.2193 2.2193 2.2438 2.2438 3.0513 3.0513 3.1472 3.1472 3.2399 3.2399 3.3126 3.3126 3.9949 3.9949 4.1314 4.1314 4.7013 4.7013 4.7339 4.7339 8.9797 8.9797 9.0068 9.0068 15.5740 15.5740 15.5746 15.5746 k = 0.5000 0.3387 0.2186 ( 7758 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1311 2.1311 2.1655 2.1655 2.2174 2.2174 2.2372 2.2372 3.0535 3.0535 3.1433 3.1433 3.2363 3.2363 3.3060 3.3060 4.0076 4.0076 4.1422 4.1422 4.6686 4.6686 4.7045 4.7045 9.0377 9.0377 9.0636 9.0636 15.4683 15.4683 15.4686 15.4686 k = 0.5000 0.3387 0.2030 ( 7758 PWs) bands (ev): -38.4586 -38.4586 -38.4586 -38.4586 2.1286 2.1286 2.1635 2.1635 2.2161 2.2161 2.2318 2.2318 3.0542 3.0542 3.1380 3.1380 3.2345 3.2345 3.3007 3.3007 4.0207 4.0207 4.1529 4.1529 4.6373 4.6373 4.6764 4.6764 9.0940 9.0940 9.1185 9.1185 15.3654 15.3654 15.3664 15.3664 k = 0.5000 0.3387 0.1874 ( 7752 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1260 2.1260 2.1608 2.1608 2.2153 2.2153 2.2276 2.2276 3.0537 3.0537 3.1315 3.1315 3.2343 3.2343 3.2967 3.2967 4.0340 4.0340 4.1635 4.1635 4.6075 4.6075 4.6496 4.6496 9.1482 9.1482 9.1712 9.1712 15.2668 15.2668 15.2685 15.2685 k = 0.5000 0.3387 0.1718 ( 7748 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1237 2.1237 2.1575 2.1575 2.2150 2.2150 2.2247 2.2247 3.0523 3.0523 3.1239 3.1239 3.2355 3.2355 3.2938 3.2938 4.0477 4.0477 4.1738 4.1738 4.5791 4.5791 4.6240 4.6240 9.1999 9.1999 9.2214 9.2214 15.1734 15.1734 15.1755 15.1755 k = 0.5000 0.3387 0.1562 ( 7748 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1214 2.1214 2.1536 2.1536 2.2151 2.2151 2.2227 2.2227 3.0502 3.0502 3.1156 3.1156 3.2378 3.2378 3.2916 3.2916 4.0617 4.0617 4.1838 4.1838 4.5523 4.5523 4.5997 4.5997 9.2489 9.2489 9.2688 9.2688 15.0858 15.0858 15.0882 15.0882 k = 0.5000 0.3387 0.1405 ( 7736 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1194 2.1194 2.1494 2.1494 2.2155 2.2155 2.2216 2.2216 3.0477 3.0477 3.1069 3.1069 3.2410 3.2410 3.2901 3.2901 4.0759 4.0759 4.1933 4.1933 4.5272 4.5272 4.5766 4.5766 9.2948 9.2948 9.3130 9.3130 15.0046 15.0046 15.0072 15.0072 k = 0.5000 0.3387 0.1249 ( 7726 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1177 2.1177 2.1451 2.1451 2.2161 2.2161 2.2211 2.2211 3.0451 3.0451 3.0981 3.0981 3.2447 3.2447 3.2888 3.2888 4.0904 4.0904 4.2021 4.2021 4.5041 4.5041 4.5547 4.5547 9.3371 9.3371 9.3536 9.3536 14.9303 14.9303 14.9331 14.9331 k = 0.5000 0.3387 0.1093 ( 7720 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1164 2.1164 2.1407 2.1407 2.2168 2.2168 2.2209 2.2209 3.0427 3.0427 3.0894 3.0894 3.2488 3.2488 3.2878 3.2878 4.1051 4.1051 4.2099 4.2099 4.4832 4.4832 4.5341 4.5341 9.3757 9.3757 9.3904 9.3904 14.8635 14.8635 14.8662 14.8662 k = 0.5000 0.3387 0.0937 ( 7714 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1153 2.1153 2.1365 2.1365 2.2176 2.2176 2.2210 2.2210 3.0407 3.0407 3.0809 3.0809 3.2531 3.2531 3.2867 3.2867 4.1199 4.1199 4.2163 4.2163 4.4649 4.4649 4.5148 4.5148 9.4101 9.4101 9.4229 9.4229 14.8047 14.8047 14.8072 14.8072 k = 0.5000 0.3387 0.0781 ( 7704 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1147 2.1147 2.1325 2.1325 2.2185 2.2185 2.2212 2.2212 3.0393 3.0393 3.0730 3.0730 3.2574 3.2574 3.2856 3.2856 4.1347 4.1347 4.2208 4.2208 4.4497 4.4497 4.4968 4.4968 9.4401 9.4401 9.4508 9.4508 14.7542 14.7542 14.7565 14.7565 k = 0.5000 0.3387 0.0625 ( 7704 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1145 2.1145 2.1288 2.1288 2.2193 2.2193 2.2215 2.2215 3.0385 3.0385 3.0656 3.0656 3.2616 3.2616 3.2843 3.2843 4.1494 4.1494 4.2229 4.2229 4.4382 4.4382 4.4803 4.4803 9.4652 9.4652 9.4739 9.4739 14.7124 14.7124 14.7143 14.7143 k = 0.5000 0.3387 0.0468 ( 7716 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1147 2.1147 2.1255 2.1255 2.2200 2.2200 2.2217 2.2217 3.0387 3.0387 3.0590 3.0590 3.2656 3.2656 3.2826 3.2826 4.1638 4.1638 4.2221 4.2221 4.4307 4.4307 4.4654 4.4654 9.4853 9.4853 9.4919 9.4919 14.6796 14.6796 14.6811 14.6811 k = 0.5000 0.3387 0.0312 ( 7732 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1154 2.1154 2.1226 2.1226 2.2207 2.2207 2.2218 2.2218 3.0397 3.0397 3.0533 3.0533 3.2693 3.2693 3.2807 3.2807 4.1776 4.1776 4.2183 4.2183 4.4275 4.4275 4.4524 4.4524 9.5002 9.5002 9.5046 9.5046 14.6561 14.6561 14.6571 14.6571 k = 0.5000 0.3387 0.0156 ( 7740 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1165 2.1165 2.1201 2.1201 2.2212 2.2212 2.2217 2.2217 3.0416 3.0416 3.0484 3.0484 3.2727 3.2727 3.2784 3.2784 4.1905 4.1905 4.2114 4.2114 4.4286 4.4286 4.4416 4.4416 9.5096 9.5096 9.5118 9.5118 14.6420 14.6420 14.6425 14.6425 k = 0.5000 0.3387 0.0000 ( 7738 PWs) bands (ev): -38.4587 -38.4587 -38.4587 -38.4587 2.1181 2.1181 2.1181 2.1181 2.2215 2.2215 2.2215 2.2215 3.0445 3.0445 3.0445 3.0445 3.2757 3.2757 3.2757 3.2757 4.2019 4.2019 4.2019 4.2019 4.4335 4.4335 4.4335 4.4335 9.5135 9.5135 9.5135 9.5135 14.6375 14.6375 14.6375 14.6375 k = 0.0000 0.0000 0.8916 ( 7762 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2147 2.2147 2.2147 2.2147 2.5533 2.5533 2.5533 2.5533 2.9891 2.9891 2.9891 2.9891 3.5544 3.5544 3.5544 3.5544 3.7843 3.7843 3.7843 3.7843 6.4894 6.4894 6.4894 6.4894 7.3508 7.3508 7.3508 7.3508 11.5321 11.5321 11.5321 11.5321 k = 0.0132 0.0089 0.8916 ( 7772 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2136 2.2136 2.2161 2.2161 2.5458 2.5458 2.5593 2.5593 2.9791 2.9791 3.0010 3.0010 3.5459 3.5459 3.5616 3.5616 3.7744 3.7744 3.7946 3.7946 6.4839 6.4839 6.4926 6.4926 7.3456 7.3456 7.3585 7.3585 11.5329 11.5329 11.5332 11.5332 k = 0.0263 0.0178 0.8916 ( 7776 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2131 2.2131 2.2180 2.2180 2.5372 2.5372 2.5638 2.5638 2.9714 2.9714 3.0147 3.0147 3.5365 3.5365 3.5673 3.5673 3.7652 3.7652 3.8051 3.8051 6.4762 6.4762 6.4933 6.4933 7.3432 7.3432 7.3688 7.3688 11.5357 11.5357 11.5364 11.5364 k = 0.0395 0.0267 0.8916 ( 7770 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2129 2.2129 2.2202 2.2202 2.5276 2.5276 2.5666 2.5666 2.9660 2.9660 3.0301 3.0301 3.5262 3.5262 3.5712 3.5712 3.7568 3.7568 3.8156 3.8156 6.4666 6.4666 6.4916 6.4916 7.3434 7.3434 7.3812 7.3812 11.5404 11.5404 11.5414 11.5414 k = 0.0526 0.0356 0.8916 ( 7774 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2132 2.2132 2.2229 2.2229 2.5173 2.5173 2.5675 2.5675 2.9630 2.9630 3.0468 3.0468 3.5153 3.5153 3.5729 3.5729 3.7498 3.7498 3.8259 3.8259 6.4553 6.4553 6.4877 6.4877 7.3461 7.3461 7.3954 7.3954 11.5470 11.5470 11.5484 11.5484 k = 0.0658 0.0446 0.8916 ( 7776 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2139 2.2139 2.2259 2.2259 2.5065 2.5065 2.5667 2.5667 2.9624 2.9624 3.0647 3.0647 3.5039 3.5039 3.5722 3.5722 3.7442 3.7442 3.8360 3.8360 6.4428 6.4428 6.4818 6.4818 7.3511 7.3511 7.4110 7.4110 11.5552 11.5552 11.5571 11.5571 k = 0.0789 0.0535 0.8916 ( 7780 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2150 2.2150 2.2293 2.2293 2.4954 2.4954 2.5642 2.5642 2.9639 2.9639 3.0835 3.0835 3.4921 3.4921 3.5688 3.5688 3.7403 3.7403 3.8457 3.8457 6.4293 6.4293 6.4742 6.4742 7.3581 7.3581 7.4277 7.4277 11.5650 11.5650 11.5674 11.5674 k = 0.0921 0.0624 0.8916 ( 7776 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2166 2.2166 2.2330 2.2330 2.4842 2.4842 2.5602 2.5602 2.9675 2.9675 3.1032 3.1032 3.4802 3.4802 3.5628 3.5628 3.7382 3.7382 3.8550 3.8550 6.4153 6.4153 6.4653 6.4653 7.3666 7.3666 7.4450 7.4450 11.5762 11.5762 11.5791 11.5791 k = 0.1053 0.0713 0.8916 ( 7780 PWs) bands (ev): -38.4583 -38.4583 -38.4583 -38.4583 2.2184 2.2184 2.2369 2.2369 2.4730 2.4730 2.5550 2.5550 2.9728 2.9728 3.1236 3.1236 3.4681 3.4681 3.5543 3.5543 3.7375 3.7375 3.8638 3.8638 6.4010 6.4010 6.4554 6.4554 7.3763 7.3763 7.4626 7.4626 11.5885 11.5885 11.5921 11.5921 k = 0.1184 0.0802 0.8916 ( 7774 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2206 2.2206 2.2410 2.2410 2.4619 2.4619 2.5488 2.5488 2.9794 2.9794 3.1444 3.1444 3.4560 3.4560 3.5436 3.5436 3.7380 3.7380 3.8720 3.8720 6.3869 6.3869 6.4450 6.4450 7.3866 7.3866 7.4799 7.4799 11.6017 11.6017 11.6060 11.6060 k = 0.1316 0.0891 0.8916 ( 7766 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2230 2.2230 2.2452 2.2452 2.4512 2.4512 2.5420 2.5420 2.9871 2.9871 3.1657 3.1657 3.4442 3.4442 3.5310 3.5310 3.7394 3.7394 3.8797 3.8797 6.3733 6.3733 6.4344 6.4344 7.3974 7.3974 7.4968 7.4968 11.6154 11.6154 11.6205 11.6205 k = 0.1447 0.0980 0.8916 ( 7770 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2257 2.2257 2.2495 2.2495 2.4409 2.4409 2.5348 2.5348 2.9954 2.9954 3.1872 3.1872 3.4326 3.4326 3.5168 3.5168 3.7414 3.7414 3.8866 3.8866 6.3603 6.3603 6.4240 6.4240 7.4080 7.4080 7.5127 7.5127 11.6294 11.6294 11.6353 11.6353 k = 0.1579 0.1069 0.8916 ( 7758 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2285 2.2285 2.2537 2.2537 2.4313 2.4313 2.5275 2.5275 3.0040 3.0040 3.2089 3.2089 3.4216 3.4216 3.5013 3.5013 3.7437 3.7437 3.8929 3.8929 6.3483 6.3483 6.4140 6.4140 7.4182 7.4182 7.5275 7.5275 11.6431 11.6431 11.6499 11.6499 k = 0.1711 0.1159 0.8916 ( 7762 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2313 2.2313 2.2578 2.2578 2.4224 2.4224 2.5205 2.5205 3.0126 3.0126 3.2306 3.2306 3.4113 3.4113 3.4848 3.4848 3.7461 3.7461 3.8984 3.8984 6.3374 6.3374 6.4048 6.4048 7.4278 7.4278 7.5409 7.5409 11.6563 11.6563 11.6639 11.6639 k = 0.1842 0.1248 0.8916 ( 7752 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2341 2.2341 2.2616 2.2616 2.4144 2.4144 2.5140 2.5140 3.0206 3.0206 3.2522 3.2522 3.4020 3.4020 3.4675 3.4675 3.7483 3.7483 3.9031 3.9031 6.3280 6.3280 6.3966 6.3966 7.4363 7.4363 7.5526 7.5526 11.6684 11.6684 11.6768 11.6768 k = 0.1974 0.1337 0.8916 ( 7756 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2366 2.2366 2.2650 2.2650 2.4076 2.4076 2.5083 2.5083 3.0279 3.0279 3.2736 3.2736 3.3938 3.3938 3.4496 3.4496 3.7503 3.7503 3.9070 3.9070 6.3200 6.3200 6.3896 6.3896 7.4436 7.4436 7.5625 7.5625 11.6790 11.6790 11.6881 11.6881 k = 0.2105 0.1426 0.8916 ( 7760 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2388 2.2388 2.2678 2.2678 2.4020 2.4020 2.5035 2.5035 3.0340 3.0340 3.2943 3.2943 3.3872 3.3872 3.4315 3.4315 3.7520 3.7520 3.9101 3.9101 6.3137 6.3137 6.3840 6.3840 7.4494 7.4494 7.5703 7.5703 11.6878 11.6878 11.6975 11.6975 k = 0.2237 0.1515 0.8916 ( 7742 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2405 2.2405 2.2699 2.2699 2.3979 2.3979 2.5000 2.5000 3.0386 3.0386 3.3138 3.3138 3.3822 3.3822 3.4138 3.4138 3.7532 3.7532 3.9123 3.9123 6.3091 6.3091 6.3799 6.3799 7.4537 7.4537 7.5760 7.5760 11.6943 11.6943 11.7046 11.7046 k = 0.2368 0.1604 0.8916 ( 7742 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2416 2.2416 2.2712 2.2712 2.3954 2.3954 2.4978 2.4978 3.0415 3.0415 3.3303 3.3303 3.3791 3.3791 3.3985 3.3985 3.7539 3.7539 3.9136 3.9136 6.3063 6.3063 6.3774 6.3774 7.4563 7.4563 7.5795 7.5795 11.6983 11.6983 11.7089 11.7089 k = 0.2500 0.1693 0.8916 ( 7736 PWs) bands (ev): -38.4582 -38.4582 -38.4582 -38.4582 2.2420 2.2420 2.2716 2.2716 2.3945 2.3945 2.4970 2.4970 3.0425 3.0425 3.3379 3.3379 3.3780 3.3780 3.3912 3.3912 3.7542 3.7542 3.9140 3.9140 6.3053 6.3053 6.3766 6.3766 7.4572 7.4572 7.5806 7.5806 11.6997 11.6997 11.7104 11.7104 Writing output data file LiAg.save init_run : 0.48s CPU 0.64s WALL ( 1 calls) electrons : 174.88s CPU 176.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 174.88s CPU 176.93s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 378 calls) cegterg : 150.31s CPU 151.77s WALL ( 400 calls) Called by sum_band: Called by *egterg: h_psi : 127.45s CPU 128.94s WALL ( 6685 calls) s_psi : 3.53s CPU 3.37s WALL ( 6685 calls) g_psi : 0.25s CPU 0.29s WALL ( 5907 calls) cdiaghg : 25.59s CPU 26.06s WALL ( 6285 calls) cegterg:over : 4.80s CPU 4.82s WALL ( 5907 calls) cegterg:upda : 4.99s CPU 4.75s WALL ( 5907 calls) cegterg:last : 2.57s CPU 2.60s WALL ( 1156 calls) cdiaghg:chol : 1.48s CPU 1.54s WALL ( 6285 calls) cdiaghg:inve : 0.65s CPU 0.65s WALL ( 6285 calls) cdiaghg:para : 1.57s CPU 1.55s WALL ( 12570 calls) Called by h_psi: h_psi:vloc : 120.32s CPU 121.68s WALL ( 6685 calls) h_psi:vnl : 6.88s CPU 6.99s WALL ( 6685 calls) add_vuspsi : 3.24s CPU 3.41s WALL ( 6685 calls) General routines calbec : 3.62s CPU 3.56s WALL ( 6685 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 114.38s CPU 115.69s WALL ( 555356 calls) davcio : 0.31s CPU 0.29s WALL ( 756 calls) Parallel routines fft_scatter : 36.58s CPU 36.07s WALL ( 555371 calls) PWSCF : 3m14.05s CPU 3m35.14s WALL This run was terminated on: 18:29: 9 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=