Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:13 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: ./Pb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 11 10 3 149 116 24 Max 12 11 4 153 127 26 Sum 411 367 129 5425 4417 887 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.1109 a.u. unit-cell volume = 102.7738 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.110948 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Pb 14.00 207.20000 Pb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0049505 -0.0035005 0.0060631), wk = 0.0020921 k( 3) = ( 0.0099010 -0.0070011 0.0121262), wk = 0.0020921 k( 4) = ( 0.0148515 -0.0105016 0.0181893), wk = 0.0020921 k( 5) = ( 0.0198020 -0.0140021 0.0242524), wk = 0.0020921 k( 6) = ( 0.0247525 -0.0175026 0.0303155), wk = 0.0020921 k( 7) = ( 0.0297030 -0.0210032 0.0363786), wk = 0.0020921 k( 8) = ( 0.0346535 -0.0245037 0.0424417), wk = 0.0020921 k( 9) = ( 0.0396040 -0.0280042 0.0485047), wk = 0.0020921 k( 10) = ( 0.0445545 -0.0315048 0.0545678), wk = 0.0020921 k( 11) = ( 0.0495049 -0.0350053 0.0606309), wk = 0.0020921 k( 12) = ( 0.0544555 -0.0385058 0.0666940), wk = 0.0020921 k( 13) = ( 0.0594059 -0.0420063 0.0727571), wk = 0.0020921 k( 14) = ( 0.0643564 -0.0455069 0.0788202), wk = 0.0020921 k( 15) = ( 0.0693069 -0.0490074 0.0848833), wk = 0.0020921 k( 16) = ( 0.0742574 -0.0525079 0.0909464), wk = 0.0020921 k( 17) = ( 0.0792079 -0.0560085 0.0970095), wk = 0.0020921 k( 18) = ( 0.0841584 -0.0595090 0.1030726), wk = 0.0020921 k( 19) = ( 0.0891089 -0.0630095 0.1091357), wk = 0.0020921 k( 20) = ( 0.0940594 -0.0665100 0.1151988), wk = 0.0020921 k( 21) = ( 0.0990099 -0.0700106 0.1212619), wk = 0.0020921 k( 22) = ( 0.1039604 -0.0735111 0.1273250), wk = 0.0020921 k( 23) = ( 0.1089109 -0.0770116 0.1333881), wk = 0.0020921 k( 24) = ( 0.1138614 -0.0805122 0.1394512), wk = 0.0020921 k( 25) = ( 0.1188119 -0.0840127 0.1455142), wk = 0.0020921 k( 26) = ( 0.1237624 -0.0875132 0.1515773), wk = 0.0020921 k( 27) = ( 0.1287129 -0.0910137 0.1576404), wk = 0.0020921 k( 28) = ( 0.1336634 -0.0945143 0.1637035), wk = 0.0020921 k( 29) = ( 0.1386139 -0.0980148 0.1697666), wk = 0.0020921 k( 30) = ( 0.1435644 -0.1015153 0.1758297), wk = 0.0020921 k( 31) = ( 0.1485149 -0.1050159 0.1818928), wk = 0.0020921 k( 32) = ( 0.1534654 -0.1085164 0.1879559), wk = 0.0020921 k( 33) = ( 0.1584158 -0.1120169 0.1940190), wk = 0.0020921 k( 34) = ( 0.1633663 -0.1155174 0.2000821), wk = 0.0020921 k( 35) = ( 0.1683168 -0.1190180 0.2061452), wk = 0.0020921 k( 36) = ( 0.1732673 -0.1225185 0.2122083), wk = 0.0020921 k( 37) = ( 0.1782178 -0.1260190 0.2182714), wk = 0.0020921 k( 38) = ( 0.1831683 -0.1295196 0.2243345), wk = 0.0020921 k( 39) = ( 0.1881188 -0.1330201 0.2303975), wk = 0.0020921 k( 40) = ( 0.1930693 -0.1365206 0.2364606), wk = 0.0020921 k( 41) = ( 0.1980198 -0.1400211 0.2425237), wk = 0.0020921 k( 42) = ( 0.2029703 -0.1435217 0.2485868), wk = 0.0020921 k( 43) = ( 0.2079208 -0.1470222 0.2546499), wk = 0.0020921 k( 44) = ( 0.2128713 -0.1505227 0.2607130), wk = 0.0020921 k( 45) = ( 0.2178218 -0.1540233 0.2667761), wk = 0.0020921 k( 46) = ( 0.2227723 -0.1575238 0.2728392), wk = 0.0020921 k( 47) = ( 0.2277228 -0.1610243 0.2789023), wk = 0.0020921 k( 48) = ( 0.2326733 -0.1645248 0.2849654), wk = 0.0020921 k( 49) = ( 0.2376238 -0.1680254 0.2910285), wk = 0.0020921 k( 50) = ( 0.2425743 -0.1715259 0.2970916), wk = 0.0020921 k( 51) = ( 0.2475247 -0.1750264 0.3031547), wk = 0.0020921 k( 52) = ( 0.2524752 -0.1785270 0.3092178), wk = 0.0020921 k( 53) = ( 0.2574257 -0.1820275 0.3152809), wk = 0.0020921 k( 54) = ( 0.2623762 -0.1855280 0.3213440), wk = 0.0020921 k( 55) = ( 0.2673267 -0.1890285 0.3274070), wk = 0.0020921 k( 56) = ( 0.2722772 -0.1925291 0.3334701), wk = 0.0020921 k( 57) = ( 0.2772277 -0.1960296 0.3395332), wk = 0.0020921 k( 58) = ( 0.2821782 -0.1995301 0.3455963), wk = 0.0020921 k( 59) = ( 0.2871287 -0.2030307 0.3516594), wk = 0.0020921 k( 60) = ( 0.2920792 -0.2065312 0.3577225), wk = 0.0020921 k( 61) = ( 0.2970297 -0.2100317 0.3637856), wk = 0.0020921 k( 62) = ( 0.3019802 -0.2135322 0.3698487), wk = 0.0020921 k( 63) = ( 0.3069307 -0.2170328 0.3759118), wk = 0.0020921 k( 64) = ( 0.3118812 -0.2205333 0.3819749), wk = 0.0020921 k( 65) = ( 0.3168317 -0.2240338 0.3880380), wk = 0.0020921 k( 66) = ( 0.3217822 -0.2275344 0.3941011), wk = 0.0020921 k( 67) = ( 0.3267327 -0.2310349 0.4001642), wk = 0.0020921 k( 68) = ( 0.3316832 -0.2345354 0.4062273), wk = 0.0020921 k( 69) = ( 0.3366337 -0.2380359 0.4122903), wk = 0.0020921 k( 70) = ( 0.3415842 -0.2415365 0.4183534), wk = 0.0020921 k( 71) = ( 0.3465346 -0.2450370 0.4244165), wk = 0.0020921 k( 72) = ( 0.3514852 -0.2485375 0.4304796), wk = 0.0020921 k( 73) = ( 0.3564356 -0.2520381 0.4365427), wk = 0.0020921 k( 74) = ( 0.3613861 -0.2555386 0.4426058), wk = 0.0020921 k( 75) = ( 0.3663366 -0.2590391 0.4486689), wk = 0.0020921 k( 76) = ( 0.3712871 -0.2625396 0.4547320), wk = 0.0020921 k( 77) = ( 0.3762376 -0.2660402 0.4607951), wk = 0.0020921 k( 78) = ( 0.3811881 -0.2695407 0.4668582), wk = 0.0020921 k( 79) = ( 0.3861386 -0.2730412 0.4729213), wk = 0.0020921 k( 80) = ( 0.3910891 -0.2765418 0.4789844), wk = 0.0020921 k( 81) = ( 0.3960396 -0.2800423 0.4850475), wk = 0.0020921 k( 82) = ( 0.4009901 -0.2835428 0.4911106), wk = 0.0020921 k( 83) = ( 0.4059406 -0.2870433 0.4971737), wk = 0.0020921 k( 84) = ( 0.4108911 -0.2905439 0.5032368), wk = 0.0020921 k( 85) = ( 0.4158416 -0.2940444 0.5092998), wk = 0.0020921 k( 86) = ( 0.4207921 -0.2975449 0.5153629), wk = 0.0020921 k( 87) = ( 0.4257426 -0.3010455 0.5214260), wk = 0.0020921 k( 88) = ( 0.4306931 -0.3045460 0.5274891), wk = 0.0020921 k( 89) = ( 0.4356436 -0.3080465 0.5335522), wk = 0.0020921 k( 90) = ( 0.4405941 -0.3115470 0.5396153), wk = 0.0020921 k( 91) = ( 0.4455445 -0.3150476 0.5456784), wk = 0.0020921 k( 92) = ( 0.4504951 -0.3185481 0.5517415), wk = 0.0020921 k( 93) = ( 0.4554455 -0.3220486 0.5578046), wk = 0.0020921 k( 94) = ( 0.4603960 -0.3255492 0.5638677), wk = 0.0020921 k( 95) = ( 0.4653465 -0.3290497 0.5699308), wk = 0.0020921 k( 96) = ( 0.4702970 -0.3325502 0.5759939), wk = 0.0020921 k( 97) = ( 0.4752475 -0.3360507 0.5820570), wk = 0.0020921 k( 98) = ( 0.4801980 -0.3395513 0.5881201), wk = 0.0020921 k( 99) = ( 0.4851485 -0.3430518 0.5941831), wk = 0.0020921 k( 100) = ( 0.4900990 -0.3465523 0.6002462), wk = 0.0020921 k( 101) = ( 0.4950495 -0.3500529 0.6063093), wk = 0.0020921 k( 102) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020921 k( 103) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020921 k( 104) = ( 0.4930556 -0.3486429 0.6123724), wk = 0.0020921 k( 105) = ( 0.4861111 -0.3437325 0.6123724), wk = 0.0020921 k( 106) = ( 0.4791667 -0.3388220 0.6123724), wk = 0.0020921 k( 107) = ( 0.4722222 -0.3339115 0.6123724), wk = 0.0020921 k( 108) = ( 0.4652778 -0.3290011 0.6123724), wk = 0.0020921 k( 109) = ( 0.4583333 -0.3240906 0.6123724), wk = 0.0020921 k( 110) = ( 0.4513889 -0.3191801 0.6123724), wk = 0.0020921 k( 111) = ( 0.4444444 -0.3142697 0.6123724), wk = 0.0020921 k( 112) = ( 0.4375000 -0.3093592 0.6123724), wk = 0.0020921 k( 113) = ( 0.4305556 -0.3044488 0.6123724), wk = 0.0020921 k( 114) = ( 0.4236111 -0.2995383 0.6123724), wk = 0.0020921 k( 115) = ( 0.4166667 -0.2946278 0.6123724), wk = 0.0020921 k( 116) = ( 0.4097222 -0.2897174 0.6123724), wk = 0.0020921 k( 117) = ( 0.4027778 -0.2848069 0.6123724), wk = 0.0020921 k( 118) = ( 0.3958333 -0.2798964 0.6123724), wk = 0.0020921 k( 119) = ( 0.3888889 -0.2749860 0.6123724), wk = 0.0020921 k( 120) = ( 0.3819444 -0.2700755 0.6123724), wk = 0.0020921 k( 121) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0020921 k( 122) = ( 0.3680556 -0.2602546 0.6123724), wk = 0.0020921 k( 123) = ( 0.3611111 -0.2553441 0.6123724), wk = 0.0020921 k( 124) = ( 0.3541667 -0.2504337 0.6123724), wk = 0.0020921 k( 125) = ( 0.3472222 -0.2455232 0.6123724), wk = 0.0020921 k( 126) = ( 0.3402778 -0.2406127 0.6123724), wk = 0.0020921 k( 127) = ( 0.3333333 -0.2357023 0.6123724), wk = 0.0020921 k( 128) = ( 0.3263889 -0.2307918 0.6123724), wk = 0.0020921 k( 129) = ( 0.3194444 -0.2258813 0.6123724), wk = 0.0020921 k( 130) = ( 0.3125000 -0.2209709 0.6123724), wk = 0.0020921 k( 131) = ( 0.3055556 -0.2160604 0.6123724), wk = 0.0020921 k( 132) = ( 0.2986111 -0.2111499 0.6123724), wk = 0.0020921 k( 133) = ( 0.2916667 -0.2062395 0.6123724), wk = 0.0020921 k( 134) = ( 0.2847222 -0.2013290 0.6123724), wk = 0.0020921 k( 135) = ( 0.2777778 -0.1964186 0.6123724), wk = 0.0020921 k( 136) = ( 0.2708333 -0.1915081 0.6123724), wk = 0.0020921 k( 137) = ( 0.2638889 -0.1865976 0.6123724), wk = 0.0020921 k( 138) = ( 0.2569444 -0.1816872 0.6123724), wk = 0.0020921 k( 139) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0020921 k( 140) = ( 0.2430556 -0.1718662 0.6123724), wk = 0.0020921 k( 141) = ( 0.2361111 -0.1669558 0.6123724), wk = 0.0020921 k( 142) = ( 0.2291667 -0.1620453 0.6123724), wk = 0.0020921 k( 143) = ( 0.2222222 -0.1571348 0.6123724), wk = 0.0020921 k( 144) = ( 0.2152778 -0.1522244 0.6123724), wk = 0.0020921 k( 145) = ( 0.2083333 -0.1473139 0.6123724), wk = 0.0020921 k( 146) = ( 0.2013889 -0.1424034 0.6123724), wk = 0.0020921 k( 147) = ( 0.1944444 -0.1374930 0.6123724), wk = 0.0020921 k( 148) = ( 0.1875000 -0.1325825 0.6123724), wk = 0.0020921 k( 149) = ( 0.1805556 -0.1276721 0.6123724), wk = 0.0020921 k( 150) = ( 0.1736111 -0.1227616 0.6123724), wk = 0.0020921 k( 151) = ( 0.1666667 -0.1178511 0.6123724), wk = 0.0020921 k( 152) = ( 0.1597222 -0.1129407 0.6123724), wk = 0.0020921 k( 153) = ( 0.1527778 -0.1080302 0.6123724), wk = 0.0020921 k( 154) = ( 0.1458333 -0.1031197 0.6123724), wk = 0.0020921 k( 155) = ( 0.1388889 -0.0982093 0.6123724), wk = 0.0020921 k( 156) = ( 0.1319444 -0.0932988 0.6123724), wk = 0.0020921 k( 157) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0020921 k( 158) = ( 0.1180556 -0.0834779 0.6123724), wk = 0.0020921 k( 159) = ( 0.1111111 -0.0785674 0.6123724), wk = 0.0020921 k( 160) = ( 0.1041667 -0.0736570 0.6123724), wk = 0.0020921 k( 161) = ( 0.0972222 -0.0687465 0.6123724), wk = 0.0020921 k( 162) = ( 0.0902778 -0.0638360 0.6123724), wk = 0.0020921 k( 163) = ( 0.0833333 -0.0589256 0.6123724), wk = 0.0020921 k( 164) = ( 0.0763889 -0.0540151 0.6123724), wk = 0.0020921 k( 165) = ( 0.0694444 -0.0491046 0.6123724), wk = 0.0020921 k( 166) = ( 0.0625000 -0.0441942 0.6123724), wk = 0.0020921 k( 167) = ( 0.0555556 -0.0392837 0.6123724), wk = 0.0020921 k( 168) = ( 0.0486111 -0.0343732 0.6123724), wk = 0.0020921 k( 169) = ( 0.0416667 -0.0294628 0.6123724), wk = 0.0020921 k( 170) = ( 0.0347222 -0.0245523 0.6123724), wk = 0.0020921 k( 171) = ( 0.0277778 -0.0196419 0.6123724), wk = 0.0020921 k( 172) = ( 0.0208333 -0.0147314 0.6123724), wk = 0.0020921 k( 173) = ( 0.0138889 -0.0098209 0.6123724), wk = 0.0020921 k( 174) = ( 0.0069444 -0.0049105 0.6123724), wk = 0.0020921 k( 175) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020921 k( 176) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020921 k( 177) = ( 0.0000000 0.0000000 0.6038673), wk = 0.0020921 k( 178) = ( 0.0000000 0.0000000 0.5953621), wk = 0.0020921 k( 179) = ( 0.0000000 0.0000000 0.5868569), wk = 0.0020921 k( 180) = ( 0.0000000 0.0000000 0.5783517), wk = 0.0020921 k( 181) = ( 0.0000000 0.0000000 0.5698466), wk = 0.0020921 k( 182) = ( 0.0000000 0.0000000 0.5613414), wk = 0.0020921 k( 183) = ( 0.0000000 0.0000000 0.5528362), wk = 0.0020921 k( 184) = ( 0.0000000 0.0000000 0.5443310), wk = 0.0020921 k( 185) = ( 0.0000000 0.0000000 0.5358259), wk = 0.0020921 k( 186) = ( 0.0000000 0.0000000 0.5273207), wk = 0.0020921 k( 187) = ( 0.0000000 0.0000000 0.5188155), wk = 0.0020921 k( 188) = ( 0.0000000 0.0000000 0.5103104), wk = 0.0020921 k( 189) = ( 0.0000000 0.0000000 0.5018052), wk = 0.0020921 k( 190) = ( 0.0000000 0.0000000 0.4933000), wk = 0.0020921 k( 191) = ( 0.0000000 0.0000000 0.4847948), wk = 0.0020921 k( 192) = ( 0.0000000 0.0000000 0.4762897), wk = 0.0020921 k( 193) = ( 0.0000000 0.0000000 0.4677845), wk = 0.0020921 k( 194) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0020921 k( 195) = ( 0.0000000 0.0000000 0.4507742), wk = 0.0020921 k( 196) = ( 0.0000000 0.0000000 0.4422690), wk = 0.0020921 k( 197) = ( 0.0000000 0.0000000 0.4337638), wk = 0.0020921 k( 198) = ( 0.0000000 0.0000000 0.4252586), wk = 0.0020921 k( 199) = ( 0.0000000 0.0000000 0.4167535), wk = 0.0020921 k( 200) = ( 0.0000000 0.0000000 0.4082483), wk = 0.0020921 k( 201) = ( 0.0000000 0.0000000 0.3997431), wk = 0.0020921 k( 202) = ( 0.0000000 0.0000000 0.3912379), wk = 0.0020921 k( 203) = ( 0.0000000 0.0000000 0.3827328), wk = 0.0020921 k( 204) = ( 0.0000000 0.0000000 0.3742276), wk = 0.0020921 k( 205) = ( 0.0000000 0.0000000 0.3657224), wk = 0.0020921 k( 206) = ( 0.0000000 0.0000000 0.3572173), wk = 0.0020921 k( 207) = ( 0.0000000 0.0000000 0.3487121), wk = 0.0020921 k( 208) = ( 0.0000000 0.0000000 0.3402069), wk = 0.0020921 k( 209) = ( 0.0000000 0.0000000 0.3317017), wk = 0.0020921 k( 210) = ( 0.0000000 0.0000000 0.3231966), wk = 0.0020921 k( 211) = ( 0.0000000 0.0000000 0.3146914), wk = 0.0020921 k( 212) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0020921 k( 213) = ( 0.0000000 0.0000000 0.2976811), wk = 0.0020921 k( 214) = ( 0.0000000 0.0000000 0.2891759), wk = 0.0020921 k( 215) = ( 0.0000000 0.0000000 0.2806707), wk = 0.0020921 k( 216) = ( 0.0000000 0.0000000 0.2721655), wk = 0.0020921 k( 217) = ( 0.0000000 0.0000000 0.2636604), wk = 0.0020921 k( 218) = ( 0.0000000 0.0000000 0.2551552), wk = 0.0020921 k( 219) = ( 0.0000000 0.0000000 0.2466500), wk = 0.0020921 k( 220) = ( 0.0000000 0.0000000 0.2381448), wk = 0.0020921 k( 221) = ( 0.0000000 0.0000000 0.2296397), wk = 0.0020921 k( 222) = ( 0.0000000 0.0000000 0.2211345), wk = 0.0020921 k( 223) = ( 0.0000000 0.0000000 0.2126293), wk = 0.0020921 k( 224) = ( 0.0000000 0.0000000 0.2041241), wk = 0.0020921 k( 225) = ( 0.0000000 0.0000000 0.1956190), wk = 0.0020921 k( 226) = ( 0.0000000 0.0000000 0.1871138), wk = 0.0020921 k( 227) = ( 0.0000000 0.0000000 0.1786086), wk = 0.0020921 k( 228) = ( 0.0000000 0.0000000 0.1701035), wk = 0.0020921 k( 229) = ( 0.0000000 0.0000000 0.1615983), wk = 0.0020921 k( 230) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0020921 k( 231) = ( 0.0000000 0.0000000 0.1445879), wk = 0.0020921 k( 232) = ( 0.0000000 0.0000000 0.1360828), wk = 0.0020921 k( 233) = ( 0.0000000 0.0000000 0.1275776), wk = 0.0020921 k( 234) = ( 0.0000000 0.0000000 0.1190724), wk = 0.0020921 k( 235) = ( 0.0000000 0.0000000 0.1105672), wk = 0.0020921 k( 236) = ( 0.0000000 0.0000000 0.1020621), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.0935569), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.0850517), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.0765466), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.0680414), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.0595362), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.0510310), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.0425259), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.0340207), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.0255155), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.0170103), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.0085052), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 250) = ( 0.0028409 0.0040177 0.0069588), wk = 0.0020921 k( 251) = ( 0.0056818 0.0080353 0.0139176), wk = 0.0020921 k( 252) = ( 0.0085227 0.0120530 0.0208763), wk = 0.0020921 k( 253) = ( 0.0113636 0.0160706 0.0278351), wk = 0.0020921 k( 254) = ( 0.0142045 0.0200883 0.0347939), wk = 0.0020921 k( 255) = ( 0.0170455 0.0241059 0.0417527), wk = 0.0020921 k( 256) = ( 0.0198864 0.0281236 0.0487114), wk = 0.0020921 k( 257) = ( 0.0227273 0.0321412 0.0556702), wk = 0.0020921 k( 258) = ( 0.0255682 0.0361589 0.0626290), wk = 0.0020921 k( 259) = ( 0.0284091 0.0401765 0.0695878), wk = 0.0020921 k( 260) = ( 0.0312500 0.0441942 0.0765466), wk = 0.0020921 k( 261) = ( 0.0340909 0.0482118 0.0835053), wk = 0.0020921 k( 262) = ( 0.0369318 0.0522295 0.0904641), wk = 0.0020921 k( 263) = ( 0.0397727 0.0562471 0.0974229), wk = 0.0020921 k( 264) = ( 0.0426136 0.0602648 0.1043817), wk = 0.0020921 k( 265) = ( 0.0454546 0.0642824 0.1113405), wk = 0.0020921 k( 266) = ( 0.0482954 0.0683001 0.1182992), wk = 0.0020921 k( 267) = ( 0.0511364 0.0723177 0.1252580), wk = 0.0020921 k( 268) = ( 0.0539773 0.0763354 0.1322168), wk = 0.0020921 k( 269) = ( 0.0568182 0.0803530 0.1391755), wk = 0.0020921 k( 270) = ( 0.0596591 0.0843707 0.1461343), wk = 0.0020921 k( 271) = ( 0.0625000 0.0883883 0.1530931), wk = 0.0020921 k( 272) = ( 0.0653409 0.0924060 0.1600519), wk = 0.0020921 k( 273) = ( 0.0681818 0.0964237 0.1670107), wk = 0.0020921 k( 274) = ( 0.0710227 0.1004413 0.1739694), wk = 0.0020921 k( 275) = ( 0.0738636 0.1044590 0.1809282), wk = 0.0020921 k( 276) = ( 0.0767045 0.1084766 0.1878870), wk = 0.0020921 k( 277) = ( 0.0795455 0.1124943 0.1948458), wk = 0.0020921 k( 278) = ( 0.0823864 0.1165119 0.2018045), wk = 0.0020921 k( 279) = ( 0.0852273 0.1205296 0.2087633), wk = 0.0020921 k( 280) = ( 0.0880682 0.1245472 0.2157221), wk = 0.0020921 k( 281) = ( 0.0909091 0.1285649 0.2226809), wk = 0.0020921 k( 282) = ( 0.0937500 0.1325825 0.2296397), wk = 0.0020921 k( 283) = ( 0.0965909 0.1366002 0.2365984), wk = 0.0020921 k( 284) = ( 0.0994318 0.1406178 0.2435572), wk = 0.0020921 k( 285) = ( 0.1022727 0.1446355 0.2505160), wk = 0.0020921 k( 286) = ( 0.1051136 0.1486531 0.2574748), wk = 0.0020921 k( 287) = ( 0.1079545 0.1526708 0.2644336), wk = 0.0020921 k( 288) = ( 0.1107955 0.1566884 0.2713923), wk = 0.0020921 k( 289) = ( 0.1136364 0.1607061 0.2783511), wk = 0.0020921 k( 290) = ( 0.1164773 0.1647237 0.2853099), wk = 0.0020921 k( 291) = ( 0.1193182 0.1687414 0.2922687), wk = 0.0020921 k( 292) = ( 0.1221591 0.1727590 0.2992274), wk = 0.0020921 k( 293) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0020921 k( 294) = ( 0.1278409 0.1807943 0.3131450), wk = 0.0020921 k( 295) = ( 0.1306818 0.1848120 0.3201038), wk = 0.0020921 k( 296) = ( 0.1335227 0.1888297 0.3270626), wk = 0.0020921 k( 297) = ( 0.1363636 0.1928473 0.3340213), wk = 0.0020921 k( 298) = ( 0.1392046 0.1968650 0.3409801), wk = 0.0020921 k( 299) = ( 0.1420454 0.2008826 0.3479389), wk = 0.0020921 k( 300) = ( 0.1448864 0.2049003 0.3548977), wk = 0.0020921 k( 301) = ( 0.1477273 0.2089179 0.3618564), wk = 0.0020921 k( 302) = ( 0.1505682 0.2129356 0.3688152), wk = 0.0020921 k( 303) = ( 0.1534091 0.2169532 0.3757740), wk = 0.0020921 k( 304) = ( 0.1562500 0.2209709 0.3827328), wk = 0.0020921 k( 305) = ( 0.1590909 0.2249885 0.3896916), wk = 0.0020921 k( 306) = ( 0.1619318 0.2290062 0.3966503), wk = 0.0020921 k( 307) = ( 0.1647727 0.2330238 0.4036091), wk = 0.0020921 k( 308) = ( 0.1676136 0.2370415 0.4105679), wk = 0.0020921 k( 309) = ( 0.1704546 0.2410591 0.4175267), wk = 0.0020921 k( 310) = ( 0.1732954 0.2450768 0.4244854), wk = 0.0020921 k( 311) = ( 0.1761364 0.2490944 0.4314442), wk = 0.0020921 k( 312) = ( 0.1789773 0.2531121 0.4384030), wk = 0.0020921 k( 313) = ( 0.1818182 0.2571297 0.4453618), wk = 0.0020921 k( 314) = ( 0.1846591 0.2611474 0.4523205), wk = 0.0020921 k( 315) = ( 0.1875000 0.2651650 0.4592793), wk = 0.0020921 k( 316) = ( 0.1903409 0.2691827 0.4662381), wk = 0.0020921 k( 317) = ( 0.1931818 0.2732003 0.4731969), wk = 0.0020921 k( 318) = ( 0.1960227 0.2772180 0.4801557), wk = 0.0020921 k( 319) = ( 0.1988636 0.2812357 0.4871144), wk = 0.0020921 k( 320) = ( 0.2017046 0.2852533 0.4940732), wk = 0.0020921 k( 321) = ( 0.2045454 0.2892709 0.5010320), wk = 0.0020921 k( 322) = ( 0.2073864 0.2932886 0.5079908), wk = 0.0020921 k( 323) = ( 0.2102273 0.2973063 0.5149495), wk = 0.0020921 k( 324) = ( 0.2130682 0.3013239 0.5219083), wk = 0.0020921 k( 325) = ( 0.2159091 0.3053416 0.5288671), wk = 0.0020921 k( 326) = ( 0.2187500 0.3093592 0.5358259), wk = 0.0020921 k( 327) = ( 0.2215909 0.3133769 0.5427847), wk = 0.0020921 k( 328) = ( 0.2244318 0.3173945 0.5497434), wk = 0.0020921 k( 329) = ( 0.2272727 0.3214122 0.5567022), wk = 0.0020921 k( 330) = ( 0.2301136 0.3254298 0.5636610), wk = 0.0020921 k( 331) = ( 0.2329546 0.3294475 0.5706198), wk = 0.0020921 k( 332) = ( 0.2357954 0.3334651 0.5775785), wk = 0.0020921 k( 333) = ( 0.2386364 0.3374828 0.5845373), wk = 0.0020921 k( 334) = ( 0.2414773 0.3415004 0.5914961), wk = 0.0020921 k( 335) = ( 0.2443182 0.3455181 0.5984549), wk = 0.0020921 k( 336) = ( 0.2471591 0.3495357 0.6054137), wk = 0.0020921 k( 337) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020921 k( 338) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020921 k( 339) = ( 0.2528409 0.3455181 0.6123724), wk = 0.0020921 k( 340) = ( 0.2556818 0.3374828 0.6123724), wk = 0.0020921 k( 341) = ( 0.2585227 0.3294475 0.6123724), wk = 0.0020921 k( 342) = ( 0.2613636 0.3214122 0.6123724), wk = 0.0020921 k( 343) = ( 0.2642045 0.3133769 0.6123724), wk = 0.0020921 k( 344) = ( 0.2670455 0.3053416 0.6123724), wk = 0.0020921 k( 345) = ( 0.2698864 0.2973063 0.6123724), wk = 0.0020921 k( 346) = ( 0.2727273 0.2892710 0.6123724), wk = 0.0020921 k( 347) = ( 0.2755682 0.2812356 0.6123724), wk = 0.0020921 k( 348) = ( 0.2784091 0.2732003 0.6123724), wk = 0.0020921 k( 349) = ( 0.2812500 0.2651650 0.6123724), wk = 0.0020921 k( 350) = ( 0.2840909 0.2571297 0.6123724), wk = 0.0020921 k( 351) = ( 0.2869318 0.2490944 0.6123724), wk = 0.0020921 k( 352) = ( 0.2897727 0.2410591 0.6123724), wk = 0.0020921 k( 353) = ( 0.2926136 0.2330238 0.6123724), wk = 0.0020921 k( 354) = ( 0.2954545 0.2249885 0.6123724), wk = 0.0020921 k( 355) = ( 0.2982955 0.2169532 0.6123724), wk = 0.0020921 k( 356) = ( 0.3011364 0.2089179 0.6123724), wk = 0.0020921 k( 357) = ( 0.3039773 0.2008826 0.6123724), wk = 0.0020921 k( 358) = ( 0.3068182 0.1928473 0.6123724), wk = 0.0020921 k( 359) = ( 0.3096591 0.1848120 0.6123724), wk = 0.0020921 k( 360) = ( 0.3125000 0.1767767 0.6123724), wk = 0.0020921 k( 361) = ( 0.3153409 0.1687414 0.6123724), wk = 0.0020921 k( 362) = ( 0.3181818 0.1607061 0.6123724), wk = 0.0020921 k( 363) = ( 0.3210227 0.1526708 0.6123724), wk = 0.0020921 k( 364) = ( 0.3238636 0.1446355 0.6123724), wk = 0.0020921 k( 365) = ( 0.3267045 0.1366002 0.6123724), wk = 0.0020921 k( 366) = ( 0.3295455 0.1285649 0.6123724), wk = 0.0020921 k( 367) = ( 0.3323864 0.1205296 0.6123724), wk = 0.0020921 k( 368) = ( 0.3352273 0.1124943 0.6123724), wk = 0.0020921 k( 369) = ( 0.3380682 0.1044590 0.6123724), wk = 0.0020921 k( 370) = ( 0.3409091 0.0964237 0.6123724), wk = 0.0020921 k( 371) = ( 0.3437500 0.0883883 0.6123724), wk = 0.0020921 k( 372) = ( 0.3465909 0.0803530 0.6123724), wk = 0.0020921 k( 373) = ( 0.3494318 0.0723177 0.6123724), wk = 0.0020921 k( 374) = ( 0.3522727 0.0642824 0.6123724), wk = 0.0020921 k( 375) = ( 0.3551136 0.0562471 0.6123724), wk = 0.0020921 k( 376) = ( 0.3579545 0.0482118 0.6123724), wk = 0.0020921 k( 377) = ( 0.3607955 0.0401765 0.6123724), wk = 0.0020921 k( 378) = ( 0.3636364 0.0321412 0.6123724), wk = 0.0020921 k( 379) = ( 0.3664773 0.0241059 0.6123724), wk = 0.0020921 k( 380) = ( 0.3693182 0.0160706 0.6123724), wk = 0.0020921 k( 381) = ( 0.3721591 0.0080353 0.6123724), wk = 0.0020921 k( 382) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0020921 k( 383) = ( 0.3778409 -0.0080353 0.6123724), wk = 0.0020921 k( 384) = ( 0.3806818 -0.0160706 0.6123724), wk = 0.0020921 k( 385) = ( 0.3835227 -0.0241059 0.6123724), wk = 0.0020921 k( 386) = ( 0.3863636 -0.0321412 0.6123724), wk = 0.0020921 k( 387) = ( 0.3892045 -0.0401765 0.6123724), wk = 0.0020921 k( 388) = ( 0.3920455 -0.0482118 0.6123724), wk = 0.0020921 k( 389) = ( 0.3948864 -0.0562471 0.6123724), wk = 0.0020921 k( 390) = ( 0.3977273 -0.0642824 0.6123724), wk = 0.0020921 k( 391) = ( 0.4005682 -0.0723177 0.6123724), wk = 0.0020921 k( 392) = ( 0.4034091 -0.0803530 0.6123724), wk = 0.0020921 k( 393) = ( 0.4062500 -0.0883883 0.6123724), wk = 0.0020921 k( 394) = ( 0.4090909 -0.0964237 0.6123724), wk = 0.0020921 k( 395) = ( 0.4119318 -0.1044590 0.6123724), wk = 0.0020921 k( 396) = ( 0.4147727 -0.1124943 0.6123724), wk = 0.0020921 k( 397) = ( 0.4176136 -0.1205296 0.6123724), wk = 0.0020921 k( 398) = ( 0.4204545 -0.1285649 0.6123724), wk = 0.0020921 k( 399) = ( 0.4232955 -0.1366002 0.6123724), wk = 0.0020921 k( 400) = ( 0.4261364 -0.1446355 0.6123724), wk = 0.0020921 k( 401) = ( 0.4289773 -0.1526708 0.6123724), wk = 0.0020921 k( 402) = ( 0.4318182 -0.1607061 0.6123724), wk = 0.0020921 k( 403) = ( 0.4346591 -0.1687414 0.6123724), wk = 0.0020921 k( 404) = ( 0.4375000 -0.1767767 0.6123724), wk = 0.0020921 k( 405) = ( 0.4403409 -0.1848120 0.6123724), wk = 0.0020921 k( 406) = ( 0.4431818 -0.1928473 0.6123724), wk = 0.0020921 k( 407) = ( 0.4460227 -0.2008826 0.6123724), wk = 0.0020921 k( 408) = ( 0.4488636 -0.2089179 0.6123724), wk = 0.0020921 k( 409) = ( 0.4517045 -0.2169532 0.6123724), wk = 0.0020921 k( 410) = ( 0.4545455 -0.2249885 0.6123724), wk = 0.0020921 k( 411) = ( 0.4573864 -0.2330238 0.6123724), wk = 0.0020921 k( 412) = ( 0.4602273 -0.2410591 0.6123724), wk = 0.0020921 k( 413) = ( 0.4630682 -0.2490944 0.6123724), wk = 0.0020921 k( 414) = ( 0.4659091 -0.2571297 0.6123724), wk = 0.0020921 k( 415) = ( 0.4687500 -0.2651650 0.6123724), wk = 0.0020921 k( 416) = ( 0.4715909 -0.2732003 0.6123724), wk = 0.0020921 k( 417) = ( 0.4744318 -0.2812356 0.6123724), wk = 0.0020921 k( 418) = ( 0.4772727 -0.2892710 0.6123724), wk = 0.0020921 k( 419) = ( 0.4801136 -0.2973063 0.6123724), wk = 0.0020921 k( 420) = ( 0.4829545 -0.3053416 0.6123724), wk = 0.0020921 k( 421) = ( 0.4857955 -0.3133769 0.6123724), wk = 0.0020921 k( 422) = ( 0.4886364 -0.3214122 0.6123724), wk = 0.0020921 k( 423) = ( 0.4914773 -0.3294475 0.6123724), wk = 0.0020921 k( 424) = ( 0.4943182 -0.3374828 0.6123724), wk = 0.0020921 k( 425) = ( 0.4971591 -0.3455181 0.6123724), wk = 0.0020921 k( 426) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020921 k( 427) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020921 k( 428) = ( 0.2450980 0.3466210 0.6123724), wk = 0.0020921 k( 429) = ( 0.2401961 0.3396886 0.6123724), wk = 0.0020921 k( 430) = ( 0.2352941 0.3327561 0.6123724), wk = 0.0020921 k( 431) = ( 0.2303922 0.3258237 0.6123724), wk = 0.0020921 k( 432) = ( 0.2254902 0.3188913 0.6123724), wk = 0.0020921 k( 433) = ( 0.2205882 0.3119589 0.6123724), wk = 0.0020921 k( 434) = ( 0.2156863 0.3050264 0.6123724), wk = 0.0020921 k( 435) = ( 0.2107843 0.2980940 0.6123724), wk = 0.0020921 k( 436) = ( 0.2058823 0.2911616 0.6123724), wk = 0.0020921 k( 437) = ( 0.2009804 0.2842292 0.6123724), wk = 0.0020921 k( 438) = ( 0.1960784 0.2772968 0.6123724), wk = 0.0020921 k( 439) = ( 0.1911765 0.2703644 0.6123724), wk = 0.0020921 k( 440) = ( 0.1862745 0.2634319 0.6123724), wk = 0.0020921 k( 441) = ( 0.1813725 0.2564995 0.6123724), wk = 0.0020921 k( 442) = ( 0.1764706 0.2495671 0.6123724), wk = 0.0020921 k( 443) = ( 0.1715686 0.2426347 0.6123724), wk = 0.0020921 k( 444) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0020921 k( 445) = ( 0.1617647 0.2287698 0.6123724), wk = 0.0020921 k( 446) = ( 0.1568627 0.2218374 0.6123724), wk = 0.0020921 k( 447) = ( 0.1519608 0.2149050 0.6123724), wk = 0.0020921 k( 448) = ( 0.1470588 0.2079726 0.6123724), wk = 0.0020921 k( 449) = ( 0.1421569 0.2010402 0.6123724), wk = 0.0020921 k( 450) = ( 0.1372549 0.1941077 0.6123724), wk = 0.0020921 k( 451) = ( 0.1323529 0.1871753 0.6123724), wk = 0.0020921 k( 452) = ( 0.1274510 0.1802429 0.6123724), wk = 0.0020921 k( 453) = ( 0.1225490 0.1733105 0.6123724), wk = 0.0020921 k( 454) = ( 0.1176471 0.1663781 0.6123724), wk = 0.0020921 k( 455) = ( 0.1127451 0.1594456 0.6123724), wk = 0.0020921 k( 456) = ( 0.1078431 0.1525132 0.6123724), wk = 0.0020921 k( 457) = ( 0.1029412 0.1455808 0.6123724), wk = 0.0020921 k( 458) = ( 0.0980392 0.1386484 0.6123724), wk = 0.0020921 k( 459) = ( 0.0931373 0.1317160 0.6123724), wk = 0.0020921 k( 460) = ( 0.0882353 0.1247835 0.6123724), wk = 0.0020921 k( 461) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0020921 k( 462) = ( 0.0784314 0.1109187 0.6123724), wk = 0.0020921 k( 463) = ( 0.0735294 0.1039863 0.6123724), wk = 0.0020921 k( 464) = ( 0.0686275 0.0970539 0.6123724), wk = 0.0020921 k( 465) = ( 0.0637255 0.0901215 0.6123724), wk = 0.0020921 k( 466) = ( 0.0588235 0.0831890 0.6123724), wk = 0.0020921 k( 467) = ( 0.0539216 0.0762566 0.6123724), wk = 0.0020921 k( 468) = ( 0.0490196 0.0693242 0.6123724), wk = 0.0020921 k( 469) = ( 0.0441177 0.0623918 0.6123724), wk = 0.0020921 k( 470) = ( 0.0392157 0.0554594 0.6123724), wk = 0.0020921 k( 471) = ( 0.0343137 0.0485269 0.6123724), wk = 0.0020921 k( 472) = ( 0.0294118 0.0415945 0.6123724), wk = 0.0020921 k( 473) = ( 0.0245098 0.0346621 0.6123724), wk = 0.0020921 k( 474) = ( 0.0196078 0.0277297 0.6123724), wk = 0.0020921 k( 475) = ( 0.0147059 0.0207973 0.6123724), wk = 0.0020921 k( 476) = ( 0.0098039 0.0138648 0.6123724), wk = 0.0020921 k( 477) = ( 0.0049020 0.0069324 0.6123724), wk = 0.0020921 k( 478) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0049505 -0.0049505 0.0049505), wk = 0.0020921 k( 3) = ( 0.0099010 -0.0099010 0.0099010), wk = 0.0020921 k( 4) = ( 0.0148515 -0.0148515 0.0148515), wk = 0.0020921 k( 5) = ( 0.0198020 -0.0198020 0.0198020), wk = 0.0020921 k( 6) = ( 0.0247525 -0.0247525 0.0247525), wk = 0.0020921 k( 7) = ( 0.0297030 -0.0297030 0.0297030), wk = 0.0020921 k( 8) = ( 0.0346535 -0.0346535 0.0346535), wk = 0.0020921 k( 9) = ( 0.0396040 -0.0396040 0.0396040), wk = 0.0020921 k( 10) = ( 0.0445545 -0.0445545 0.0445545), wk = 0.0020921 k( 11) = ( 0.0495049 -0.0495049 0.0495049), wk = 0.0020921 k( 12) = ( 0.0544555 -0.0544555 0.0544555), wk = 0.0020921 k( 13) = ( 0.0594059 -0.0594059 0.0594059), wk = 0.0020921 k( 14) = ( 0.0643564 -0.0643564 0.0643564), wk = 0.0020921 k( 15) = ( 0.0693069 -0.0693069 0.0693069), wk = 0.0020921 k( 16) = ( 0.0742574 -0.0742574 0.0742574), wk = 0.0020921 k( 17) = ( 0.0792079 -0.0792079 0.0792079), wk = 0.0020921 k( 18) = ( 0.0841584 -0.0841584 0.0841584), wk = 0.0020921 k( 19) = ( 0.0891089 -0.0891089 0.0891089), wk = 0.0020921 k( 20) = ( 0.0940594 -0.0940594 0.0940594), wk = 0.0020921 k( 21) = ( 0.0990099 -0.0990099 0.0990099), wk = 0.0020921 k( 22) = ( 0.1039604 -0.1039604 0.1039604), wk = 0.0020921 k( 23) = ( 0.1089109 -0.1089109 0.1089109), wk = 0.0020921 k( 24) = ( 0.1138614 -0.1138614 0.1138614), wk = 0.0020921 k( 25) = ( 0.1188119 -0.1188119 0.1188119), wk = 0.0020921 k( 26) = ( 0.1237624 -0.1237624 0.1237624), wk = 0.0020921 k( 27) = ( 0.1287129 -0.1287129 0.1287129), wk = 0.0020921 k( 28) = ( 0.1336634 -0.1336634 0.1336634), wk = 0.0020921 k( 29) = ( 0.1386139 -0.1386139 0.1386139), wk = 0.0020921 k( 30) = ( 0.1435644 -0.1435644 0.1435644), wk = 0.0020921 k( 31) = ( 0.1485149 -0.1485149 0.1485149), wk = 0.0020921 k( 32) = ( 0.1534654 -0.1534654 0.1534654), wk = 0.0020921 k( 33) = ( 0.1584158 -0.1584158 0.1584158), wk = 0.0020921 k( 34) = ( 0.1633663 -0.1633663 0.1633663), wk = 0.0020921 k( 35) = ( 0.1683168 -0.1683168 0.1683168), wk = 0.0020921 k( 36) = ( 0.1732673 -0.1732673 0.1732673), wk = 0.0020921 k( 37) = ( 0.1782178 -0.1782178 0.1782178), wk = 0.0020921 k( 38) = ( 0.1831683 -0.1831683 0.1831683), wk = 0.0020921 k( 39) = ( 0.1881188 -0.1881188 0.1881188), wk = 0.0020921 k( 40) = ( 0.1930693 -0.1930693 0.1930693), wk = 0.0020921 k( 41) = ( 0.1980198 -0.1980198 0.1980198), wk = 0.0020921 k( 42) = ( 0.2029703 -0.2029703 0.2029703), wk = 0.0020921 k( 43) = ( 0.2079208 -0.2079208 0.2079208), wk = 0.0020921 k( 44) = ( 0.2128713 -0.2128713 0.2128713), wk = 0.0020921 k( 45) = ( 0.2178218 -0.2178218 0.2178218), wk = 0.0020921 k( 46) = ( 0.2227723 -0.2227723 0.2227723), wk = 0.0020921 k( 47) = ( 0.2277228 -0.2277228 0.2277228), wk = 0.0020921 k( 48) = ( 0.2326733 -0.2326733 0.2326733), wk = 0.0020921 k( 49) = ( 0.2376238 -0.2376238 0.2376238), wk = 0.0020921 k( 50) = ( 0.2425743 -0.2425743 0.2425743), wk = 0.0020921 k( 51) = ( 0.2475247 -0.2475247 0.2475247), wk = 0.0020921 k( 52) = ( 0.2524752 -0.2524752 0.2524752), wk = 0.0020921 k( 53) = ( 0.2574257 -0.2574257 0.2574257), wk = 0.0020921 k( 54) = ( 0.2623762 -0.2623762 0.2623762), wk = 0.0020921 k( 55) = ( 0.2673267 -0.2673267 0.2673267), wk = 0.0020921 k( 56) = ( 0.2722772 -0.2722772 0.2722772), wk = 0.0020921 k( 57) = ( 0.2772277 -0.2772277 0.2772277), wk = 0.0020921 k( 58) = ( 0.2821782 -0.2821782 0.2821782), wk = 0.0020921 k( 59) = ( 0.2871287 -0.2871287 0.2871287), wk = 0.0020921 k( 60) = ( 0.2920792 -0.2920792 0.2920792), wk = 0.0020921 k( 61) = ( 0.2970297 -0.2970297 0.2970297), wk = 0.0020921 k( 62) = ( 0.3019802 -0.3019802 0.3019802), wk = 0.0020921 k( 63) = ( 0.3069307 -0.3069307 0.3069307), wk = 0.0020921 k( 64) = ( 0.3118812 -0.3118812 0.3118812), wk = 0.0020921 k( 65) = ( 0.3168317 -0.3168317 0.3168317), wk = 0.0020921 k( 66) = ( 0.3217822 -0.3217822 0.3217822), wk = 0.0020921 k( 67) = ( 0.3267327 -0.3267327 0.3267327), wk = 0.0020921 k( 68) = ( 0.3316832 -0.3316832 0.3316832), wk = 0.0020921 k( 69) = ( 0.3366337 -0.3366337 0.3366337), wk = 0.0020921 k( 70) = ( 0.3415842 -0.3415842 0.3415842), wk = 0.0020921 k( 71) = ( 0.3465346 -0.3465346 0.3465346), wk = 0.0020921 k( 72) = ( 0.3514852 -0.3514852 0.3514852), wk = 0.0020921 k( 73) = ( 0.3564356 -0.3564356 0.3564356), wk = 0.0020921 k( 74) = ( 0.3613861 -0.3613861 0.3613861), wk = 0.0020921 k( 75) = ( 0.3663366 -0.3663366 0.3663366), wk = 0.0020921 k( 76) = ( 0.3712871 -0.3712871 0.3712871), wk = 0.0020921 k( 77) = ( 0.3762376 -0.3762376 0.3762376), wk = 0.0020921 k( 78) = ( 0.3811881 -0.3811881 0.3811881), wk = 0.0020921 k( 79) = ( 0.3861386 -0.3861386 0.3861386), wk = 0.0020921 k( 80) = ( 0.3910891 -0.3910891 0.3910891), wk = 0.0020921 k( 81) = ( 0.3960396 -0.3960396 0.3960396), wk = 0.0020921 k( 82) = ( 0.4009901 -0.4009901 0.4009901), wk = 0.0020921 k( 83) = ( 0.4059406 -0.4059406 0.4059406), wk = 0.0020921 k( 84) = ( 0.4108911 -0.4108911 0.4108911), wk = 0.0020921 k( 85) = ( 0.4158416 -0.4158416 0.4158416), wk = 0.0020921 k( 86) = ( 0.4207921 -0.4207921 0.4207921), wk = 0.0020921 k( 87) = ( 0.4257426 -0.4257426 0.4257426), wk = 0.0020921 k( 88) = ( 0.4306931 -0.4306931 0.4306931), wk = 0.0020921 k( 89) = ( 0.4356436 -0.4356436 0.4356436), wk = 0.0020921 k( 90) = ( 0.4405941 -0.4405941 0.4405941), wk = 0.0020921 k( 91) = ( 0.4455445 -0.4455445 0.4455445), wk = 0.0020921 k( 92) = ( 0.4504951 -0.4504950 0.4504951), wk = 0.0020921 k( 93) = ( 0.4554455 -0.4554455 0.4554455), wk = 0.0020921 k( 94) = ( 0.4603960 -0.4603960 0.4603960), wk = 0.0020921 k( 95) = ( 0.4653465 -0.4653465 0.4653465), wk = 0.0020921 k( 96) = ( 0.4702970 -0.4702970 0.4702970), wk = 0.0020921 k( 97) = ( 0.4752475 -0.4752475 0.4752475), wk = 0.0020921 k( 98) = ( 0.4801980 -0.4801980 0.4801980), wk = 0.0020921 k( 99) = ( 0.4851485 -0.4851485 0.4851485), wk = 0.0020921 k( 100) = ( 0.4900990 -0.4900990 0.4900990), wk = 0.0020921 k( 101) = ( 0.4950495 -0.4950495 0.4950495), wk = 0.0020921 k( 102) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020921 k( 103) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020921 k( 104) = ( 0.4930556 -0.4930556 0.5000000), wk = 0.0020921 k( 105) = ( 0.4861111 -0.4861111 0.5000000), wk = 0.0020921 k( 106) = ( 0.4791667 -0.4791667 0.5000000), wk = 0.0020921 k( 107) = ( 0.4722222 -0.4722222 0.5000000), wk = 0.0020921 k( 108) = ( 0.4652778 -0.4652778 0.5000000), wk = 0.0020921 k( 109) = ( 0.4583333 -0.4583333 0.5000000), wk = 0.0020921 k( 110) = ( 0.4513889 -0.4513889 0.5000000), wk = 0.0020921 k( 111) = ( 0.4444444 -0.4444444 0.5000000), wk = 0.0020921 k( 112) = ( 0.4375000 -0.4375000 0.5000000), wk = 0.0020921 k( 113) = ( 0.4305556 -0.4305556 0.5000000), wk = 0.0020921 k( 114) = ( 0.4236111 -0.4236111 0.5000000), wk = 0.0020921 k( 115) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0020921 k( 116) = ( 0.4097222 -0.4097222 0.5000000), wk = 0.0020921 k( 117) = ( 0.4027778 -0.4027778 0.5000000), wk = 0.0020921 k( 118) = ( 0.3958333 -0.3958333 0.5000000), wk = 0.0020921 k( 119) = ( 0.3888889 -0.3888889 0.5000000), wk = 0.0020921 k( 120) = ( 0.3819444 -0.3819444 0.5000000), wk = 0.0020921 k( 121) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0020921 k( 122) = ( 0.3680556 -0.3680556 0.5000000), wk = 0.0020921 k( 123) = ( 0.3611111 -0.3611111 0.5000000), wk = 0.0020921 k( 124) = ( 0.3541667 -0.3541667 0.5000000), wk = 0.0020921 k( 125) = ( 0.3472222 -0.3472222 0.5000000), wk = 0.0020921 k( 126) = ( 0.3402778 -0.3402778 0.5000000), wk = 0.0020921 k( 127) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0020921 k( 128) = ( 0.3263889 -0.3263889 0.5000000), wk = 0.0020921 k( 129) = ( 0.3194444 -0.3194444 0.5000000), wk = 0.0020921 k( 130) = ( 0.3125000 -0.3125000 0.5000000), wk = 0.0020921 k( 131) = ( 0.3055556 -0.3055556 0.5000000), wk = 0.0020921 k( 132) = ( 0.2986111 -0.2986111 0.5000000), wk = 0.0020921 k( 133) = ( 0.2916667 -0.2916667 0.5000000), wk = 0.0020921 k( 134) = ( 0.2847222 -0.2847222 0.5000000), wk = 0.0020921 k( 135) = ( 0.2777778 -0.2777778 0.5000000), wk = 0.0020921 k( 136) = ( 0.2708333 -0.2708333 0.5000000), wk = 0.0020921 k( 137) = ( 0.2638889 -0.2638889 0.5000000), wk = 0.0020921 k( 138) = ( 0.2569444 -0.2569444 0.5000000), wk = 0.0020921 k( 139) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0020921 k( 140) = ( 0.2430556 -0.2430556 0.5000000), wk = 0.0020921 k( 141) = ( 0.2361111 -0.2361111 0.5000000), wk = 0.0020921 k( 142) = ( 0.2291667 -0.2291667 0.5000000), wk = 0.0020921 k( 143) = ( 0.2222222 -0.2222222 0.5000000), wk = 0.0020921 k( 144) = ( 0.2152778 -0.2152778 0.5000000), wk = 0.0020921 k( 145) = ( 0.2083333 -0.2083333 0.5000000), wk = 0.0020921 k( 146) = ( 0.2013889 -0.2013889 0.5000000), wk = 0.0020921 k( 147) = ( 0.1944444 -0.1944444 0.5000000), wk = 0.0020921 k( 148) = ( 0.1875000 -0.1875000 0.5000000), wk = 0.0020921 k( 149) = ( 0.1805556 -0.1805556 0.5000000), wk = 0.0020921 k( 150) = ( 0.1736111 -0.1736111 0.5000000), wk = 0.0020921 k( 151) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0020921 k( 152) = ( 0.1597222 -0.1597222 0.5000000), wk = 0.0020921 k( 153) = ( 0.1527778 -0.1527778 0.5000000), wk = 0.0020921 k( 154) = ( 0.1458333 -0.1458333 0.5000000), wk = 0.0020921 k( 155) = ( 0.1388889 -0.1388889 0.5000000), wk = 0.0020921 k( 156) = ( 0.1319444 -0.1319444 0.5000000), wk = 0.0020921 k( 157) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0020921 k( 158) = ( 0.1180556 -0.1180556 0.5000000), wk = 0.0020921 k( 159) = ( 0.1111111 -0.1111111 0.5000000), wk = 0.0020921 k( 160) = ( 0.1041667 -0.1041667 0.5000000), wk = 0.0020921 k( 161) = ( 0.0972222 -0.0972222 0.5000000), wk = 0.0020921 k( 162) = ( 0.0902778 -0.0902778 0.5000000), wk = 0.0020921 k( 163) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0020921 k( 164) = ( 0.0763889 -0.0763889 0.5000000), wk = 0.0020921 k( 165) = ( 0.0694444 -0.0694444 0.5000000), wk = 0.0020921 k( 166) = ( 0.0625000 -0.0625000 0.5000000), wk = 0.0020921 k( 167) = ( 0.0555556 -0.0555556 0.5000000), wk = 0.0020921 k( 168) = ( 0.0486111 -0.0486111 0.5000000), wk = 0.0020921 k( 169) = ( 0.0416667 -0.0416667 0.5000000), wk = 0.0020921 k( 170) = ( 0.0347222 -0.0347222 0.5000000), wk = 0.0020921 k( 171) = ( 0.0277778 -0.0277778 0.5000000), wk = 0.0020921 k( 172) = ( 0.0208333 -0.0208333 0.5000000), wk = 0.0020921 k( 173) = ( 0.0138889 -0.0138889 0.5000000), wk = 0.0020921 k( 174) = ( 0.0069444 -0.0069444 0.5000000), wk = 0.0020921 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 177) = ( 0.0000000 0.0000000 0.4930556), wk = 0.0020921 k( 178) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020921 k( 179) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0020921 k( 180) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020921 k( 181) = ( 0.0000000 0.0000000 0.4652778), wk = 0.0020921 k( 182) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020921 k( 183) = ( 0.0000000 0.0000000 0.4513889), wk = 0.0020921 k( 184) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020921 k( 185) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 186) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020921 k( 187) = ( 0.0000000 0.0000000 0.4236111), wk = 0.0020921 k( 188) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020921 k( 189) = ( 0.0000000 0.0000000 0.4097222), wk = 0.0020921 k( 190) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020921 k( 191) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0020921 k( 192) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020921 k( 193) = ( 0.0000000 0.0000000 0.3819444), wk = 0.0020921 k( 194) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 195) = ( 0.0000000 0.0000000 0.3680556), wk = 0.0020921 k( 196) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020921 k( 197) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0020921 k( 198) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020921 k( 199) = ( 0.0000000 0.0000000 0.3402778), wk = 0.0020921 k( 200) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020921 k( 201) = ( 0.0000000 0.0000000 0.3263889), wk = 0.0020921 k( 202) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020921 k( 203) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 204) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020921 k( 205) = ( 0.0000000 0.0000000 0.2986111), wk = 0.0020921 k( 206) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020921 k( 207) = ( 0.0000000 0.0000000 0.2847222), wk = 0.0020921 k( 208) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020921 k( 209) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0020921 k( 210) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020921 k( 211) = ( 0.0000000 0.0000000 0.2569444), wk = 0.0020921 k( 212) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 213) = ( 0.0000000 0.0000000 0.2430556), wk = 0.0020921 k( 214) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020921 k( 215) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0020921 k( 216) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020921 k( 217) = ( 0.0000000 0.0000000 0.2152778), wk = 0.0020921 k( 218) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020921 k( 219) = ( 0.0000000 0.0000000 0.2013889), wk = 0.0020921 k( 220) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020921 k( 221) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 222) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020921 k( 223) = ( 0.0000000 0.0000000 0.1736111), wk = 0.0020921 k( 224) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020921 k( 225) = ( 0.0000000 0.0000000 0.1597222), wk = 0.0020921 k( 226) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020921 k( 227) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0020921 k( 228) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020921 k( 229) = ( 0.0000000 0.0000000 0.1319444), wk = 0.0020921 k( 230) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 231) = ( 0.0000000 0.0000000 0.1180556), wk = 0.0020921 k( 232) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020921 k( 233) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0020921 k( 234) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020921 k( 235) = ( 0.0000000 0.0000000 0.0902778), wk = 0.0020921 k( 236) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.0763889), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.0486111), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.0347222), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.0069444), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 250) = ( 0.0028409 0.0028409 0.0028409), wk = 0.0020921 k( 251) = ( 0.0056818 0.0056818 0.0056818), wk = 0.0020921 k( 252) = ( 0.0085227 0.0085227 0.0085227), wk = 0.0020921 k( 253) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0020921 k( 254) = ( 0.0142045 0.0142045 0.0142046), wk = 0.0020921 k( 255) = ( 0.0170455 0.0170455 0.0170455), wk = 0.0020921 k( 256) = ( 0.0198864 0.0198864 0.0198864), wk = 0.0020921 k( 257) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0020921 k( 258) = ( 0.0255682 0.0255682 0.0255682), wk = 0.0020921 k( 259) = ( 0.0284091 0.0284091 0.0284091), wk = 0.0020921 k( 260) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0020921 k( 261) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0020921 k( 262) = ( 0.0369318 0.0369318 0.0369318), wk = 0.0020921 k( 263) = ( 0.0397727 0.0397727 0.0397727), wk = 0.0020921 k( 264) = ( 0.0426136 0.0426136 0.0426136), wk = 0.0020921 k( 265) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0020921 k( 266) = ( 0.0482954 0.0482954 0.0482954), wk = 0.0020921 k( 267) = ( 0.0511364 0.0511364 0.0511364), wk = 0.0020921 k( 268) = ( 0.0539773 0.0539773 0.0539773), wk = 0.0020921 k( 269) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0020921 k( 270) = ( 0.0596591 0.0596591 0.0596591), wk = 0.0020921 k( 271) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0020921 k( 272) = ( 0.0653409 0.0653409 0.0653409), wk = 0.0020921 k( 273) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0020921 k( 274) = ( 0.0710227 0.0710227 0.0710227), wk = 0.0020921 k( 275) = ( 0.0738636 0.0738636 0.0738636), wk = 0.0020921 k( 276) = ( 0.0767045 0.0767045 0.0767046), wk = 0.0020921 k( 277) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0020921 k( 278) = ( 0.0823864 0.0823864 0.0823864), wk = 0.0020921 k( 279) = ( 0.0852273 0.0852273 0.0852273), wk = 0.0020921 k( 280) = ( 0.0880682 0.0880682 0.0880682), wk = 0.0020921 k( 281) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0020921 k( 282) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0020921 k( 283) = ( 0.0965909 0.0965909 0.0965909), wk = 0.0020921 k( 284) = ( 0.0994318 0.0994318 0.0994318), wk = 0.0020921 k( 285) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0020921 k( 286) = ( 0.1051136 0.1051136 0.1051136), wk = 0.0020921 k( 287) = ( 0.1079545 0.1079545 0.1079545), wk = 0.0020921 k( 288) = ( 0.1107955 0.1107955 0.1107955), wk = 0.0020921 k( 289) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0020921 k( 290) = ( 0.1164773 0.1164773 0.1164773), wk = 0.0020921 k( 291) = ( 0.1193182 0.1193182 0.1193182), wk = 0.0020921 k( 292) = ( 0.1221591 0.1221591 0.1221591), wk = 0.0020921 k( 293) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0020921 k( 294) = ( 0.1278409 0.1278409 0.1278409), wk = 0.0020921 k( 295) = ( 0.1306818 0.1306818 0.1306818), wk = 0.0020921 k( 296) = ( 0.1335227 0.1335227 0.1335227), wk = 0.0020921 k( 297) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0020921 k( 298) = ( 0.1392046 0.1392046 0.1392046), wk = 0.0020921 k( 299) = ( 0.1420454 0.1420454 0.1420454), wk = 0.0020921 k( 300) = ( 0.1448864 0.1448864 0.1448864), wk = 0.0020921 k( 301) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0020921 k( 302) = ( 0.1505682 0.1505682 0.1505682), wk = 0.0020921 k( 303) = ( 0.1534091 0.1534091 0.1534091), wk = 0.0020921 k( 304) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0020921 k( 305) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0020921 k( 306) = ( 0.1619318 0.1619318 0.1619318), wk = 0.0020921 k( 307) = ( 0.1647727 0.1647727 0.1647727), wk = 0.0020921 k( 308) = ( 0.1676136 0.1676136 0.1676136), wk = 0.0020921 k( 309) = ( 0.1704546 0.1704545 0.1704546), wk = 0.0020921 k( 310) = ( 0.1732954 0.1732954 0.1732955), wk = 0.0020921 k( 311) = ( 0.1761364 0.1761364 0.1761364), wk = 0.0020921 k( 312) = ( 0.1789773 0.1789773 0.1789773), wk = 0.0020921 k( 313) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0020921 k( 314) = ( 0.1846591 0.1846591 0.1846591), wk = 0.0020921 k( 315) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0020921 k( 316) = ( 0.1903409 0.1903409 0.1903409), wk = 0.0020921 k( 317) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0020921 k( 318) = ( 0.1960227 0.1960227 0.1960227), wk = 0.0020921 k( 319) = ( 0.1988636 0.1988636 0.1988636), wk = 0.0020921 k( 320) = ( 0.2017046 0.2017045 0.2017046), wk = 0.0020921 k( 321) = ( 0.2045454 0.2045455 0.2045455), wk = 0.0020921 k( 322) = ( 0.2073864 0.2073864 0.2073864), wk = 0.0020921 k( 323) = ( 0.2102273 0.2102273 0.2102273), wk = 0.0020921 k( 324) = ( 0.2130682 0.2130682 0.2130682), wk = 0.0020921 k( 325) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0020921 k( 326) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0020921 k( 327) = ( 0.2215909 0.2215909 0.2215909), wk = 0.0020921 k( 328) = ( 0.2244318 0.2244318 0.2244318), wk = 0.0020921 k( 329) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0020921 k( 330) = ( 0.2301136 0.2301136 0.2301136), wk = 0.0020921 k( 331) = ( 0.2329546 0.2329546 0.2329546), wk = 0.0020921 k( 332) = ( 0.2357954 0.2357954 0.2357955), wk = 0.0020921 k( 333) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0020921 k( 334) = ( 0.2414773 0.2414773 0.2414773), wk = 0.0020921 k( 335) = ( 0.2443182 0.2443182 0.2443182), wk = 0.0020921 k( 336) = ( 0.2471591 0.2471591 0.2471591), wk = 0.0020921 k( 337) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020921 k( 338) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020921 k( 339) = ( 0.2528409 0.2414773 0.2528409), wk = 0.0020921 k( 340) = ( 0.2556818 0.2329545 0.2556818), wk = 0.0020921 k( 341) = ( 0.2585227 0.2244318 0.2585227), wk = 0.0020921 k( 342) = ( 0.2613636 0.2159091 0.2613636), wk = 0.0020921 k( 343) = ( 0.2642045 0.2073864 0.2642046), wk = 0.0020921 k( 344) = ( 0.2670455 0.1988636 0.2670455), wk = 0.0020921 k( 345) = ( 0.2698864 0.1903409 0.2698864), wk = 0.0020921 k( 346) = ( 0.2727273 0.1818182 0.2727273), wk = 0.0020921 k( 347) = ( 0.2755682 0.1732954 0.2755682), wk = 0.0020921 k( 348) = ( 0.2784091 0.1647727 0.2784091), wk = 0.0020921 k( 349) = ( 0.2812500 0.1562500 0.2812500), wk = 0.0020921 k( 350) = ( 0.2840909 0.1477273 0.2840909), wk = 0.0020921 k( 351) = ( 0.2869318 0.1392045 0.2869318), wk = 0.0020921 k( 352) = ( 0.2897727 0.1306818 0.2897727), wk = 0.0020921 k( 353) = ( 0.2926136 0.1221591 0.2926136), wk = 0.0020921 k( 354) = ( 0.2954545 0.1136364 0.2954546), wk = 0.0020921 k( 355) = ( 0.2982955 0.1051136 0.2982955), wk = 0.0020921 k( 356) = ( 0.3011364 0.0965909 0.3011364), wk = 0.0020921 k( 357) = ( 0.3039773 0.0880682 0.3039773), wk = 0.0020921 k( 358) = ( 0.3068182 0.0795455 0.3068182), wk = 0.0020921 k( 359) = ( 0.3096591 0.0710227 0.3096591), wk = 0.0020921 k( 360) = ( 0.3125000 0.0625000 0.3125000), wk = 0.0020921 k( 361) = ( 0.3153409 0.0539773 0.3153409), wk = 0.0020921 k( 362) = ( 0.3181818 0.0454546 0.3181818), wk = 0.0020921 k( 363) = ( 0.3210227 0.0369318 0.3210227), wk = 0.0020921 k( 364) = ( 0.3238636 0.0284091 0.3238636), wk = 0.0020921 k( 365) = ( 0.3267045 0.0198864 0.3267045), wk = 0.0020921 k( 366) = ( 0.3295455 0.0113636 0.3295455), wk = 0.0020921 k( 367) = ( 0.3323864 0.0028409 0.3323864), wk = 0.0020921 k( 368) = ( 0.3352273 -0.0056818 0.3352273), wk = 0.0020921 k( 369) = ( 0.3380682 -0.0142045 0.3380682), wk = 0.0020921 k( 370) = ( 0.3409091 -0.0227273 0.3409091), wk = 0.0020921 k( 371) = ( 0.3437500 -0.0312500 0.3437500), wk = 0.0020921 k( 372) = ( 0.3465909 -0.0397727 0.3465909), wk = 0.0020921 k( 373) = ( 0.3494318 -0.0482954 0.3494318), wk = 0.0020921 k( 374) = ( 0.3522727 -0.0568182 0.3522727), wk = 0.0020921 k( 375) = ( 0.3551136 -0.0653409 0.3551136), wk = 0.0020921 k( 376) = ( 0.3579545 -0.0738636 0.3579546), wk = 0.0020921 k( 377) = ( 0.3607955 -0.0823864 0.3607955), wk = 0.0020921 k( 378) = ( 0.3636364 -0.0909091 0.3636364), wk = 0.0020921 k( 379) = ( 0.3664773 -0.0994318 0.3664773), wk = 0.0020921 k( 380) = ( 0.3693182 -0.1079545 0.3693182), wk = 0.0020921 k( 381) = ( 0.3721591 -0.1164773 0.3721591), wk = 0.0020921 k( 382) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0020921 k( 383) = ( 0.3778409 -0.1335227 0.3778409), wk = 0.0020921 k( 384) = ( 0.3806818 -0.1420454 0.3806818), wk = 0.0020921 k( 385) = ( 0.3835227 -0.1505682 0.3835227), wk = 0.0020921 k( 386) = ( 0.3863636 -0.1590909 0.3863636), wk = 0.0020921 k( 387) = ( 0.3892045 -0.1676136 0.3892046), wk = 0.0020921 k( 388) = ( 0.3920455 -0.1761364 0.3920455), wk = 0.0020921 k( 389) = ( 0.3948864 -0.1846591 0.3948864), wk = 0.0020921 k( 390) = ( 0.3977273 -0.1931818 0.3977273), wk = 0.0020921 k( 391) = ( 0.4005682 -0.2017045 0.4005682), wk = 0.0020921 k( 392) = ( 0.4034091 -0.2102273 0.4034091), wk = 0.0020921 k( 393) = ( 0.4062500 -0.2187500 0.4062500), wk = 0.0020921 k( 394) = ( 0.4090909 -0.2272727 0.4090909), wk = 0.0020921 k( 395) = ( 0.4119318 -0.2357954 0.4119318), wk = 0.0020921 k( 396) = ( 0.4147727 -0.2443182 0.4147727), wk = 0.0020921 k( 397) = ( 0.4176136 -0.2528409 0.4176136), wk = 0.0020921 k( 398) = ( 0.4204545 -0.2613636 0.4204545), wk = 0.0020921 k( 399) = ( 0.4232955 -0.2698864 0.4232955), wk = 0.0020921 k( 400) = ( 0.4261364 -0.2784091 0.4261364), wk = 0.0020921 k( 401) = ( 0.4289773 -0.2869318 0.4289773), wk = 0.0020921 k( 402) = ( 0.4318182 -0.2954545 0.4318182), wk = 0.0020921 k( 403) = ( 0.4346591 -0.3039773 0.4346591), wk = 0.0020921 k( 404) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0020921 k( 405) = ( 0.4403409 -0.3210227 0.4403409), wk = 0.0020921 k( 406) = ( 0.4431818 -0.3295455 0.4431818), wk = 0.0020921 k( 407) = ( 0.4460227 -0.3380682 0.4460227), wk = 0.0020921 k( 408) = ( 0.4488636 -0.3465909 0.4488636), wk = 0.0020921 k( 409) = ( 0.4517045 -0.3551136 0.4517045), wk = 0.0020921 k( 410) = ( 0.4545455 -0.3636364 0.4545455), wk = 0.0020921 k( 411) = ( 0.4573864 -0.3721591 0.4573864), wk = 0.0020921 k( 412) = ( 0.4602273 -0.3806818 0.4602273), wk = 0.0020921 k( 413) = ( 0.4630682 -0.3892045 0.4630682), wk = 0.0020921 k( 414) = ( 0.4659091 -0.3977273 0.4659091), wk = 0.0020921 k( 415) = ( 0.4687500 -0.4062500 0.4687500), wk = 0.0020921 k( 416) = ( 0.4715909 -0.4147727 0.4715909), wk = 0.0020921 k( 417) = ( 0.4744318 -0.4232955 0.4744318), wk = 0.0020921 k( 418) = ( 0.4772727 -0.4318182 0.4772727), wk = 0.0020921 k( 419) = ( 0.4801136 -0.4403409 0.4801136), wk = 0.0020921 k( 420) = ( 0.4829545 -0.4488636 0.4829545), wk = 0.0020921 k( 421) = ( 0.4857955 -0.4573864 0.4857955), wk = 0.0020921 k( 422) = ( 0.4886364 -0.4659091 0.4886364), wk = 0.0020921 k( 423) = ( 0.4914773 -0.4744318 0.4914773), wk = 0.0020921 k( 424) = ( 0.4943182 -0.4829545 0.4943182), wk = 0.0020921 k( 425) = ( 0.4971591 -0.4914773 0.4971591), wk = 0.0020921 k( 426) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020921 k( 427) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020921 k( 428) = ( 0.2450980 0.2450980 0.2549020), wk = 0.0020921 k( 429) = ( 0.2401961 0.2401961 0.2598039), wk = 0.0020921 k( 430) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0020921 k( 431) = ( 0.2303922 0.2303922 0.2696078), wk = 0.0020921 k( 432) = ( 0.2254902 0.2254902 0.2745098), wk = 0.0020921 k( 433) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0020921 k( 434) = ( 0.2156863 0.2156863 0.2843137), wk = 0.0020921 k( 435) = ( 0.2107843 0.2107843 0.2892157), wk = 0.0020921 k( 436) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0020921 k( 437) = ( 0.2009804 0.2009804 0.2990196), wk = 0.0020921 k( 438) = ( 0.1960784 0.1960784 0.3039216), wk = 0.0020921 k( 439) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0020921 k( 440) = ( 0.1862745 0.1862745 0.3137255), wk = 0.0020921 k( 441) = ( 0.1813725 0.1813725 0.3186274), wk = 0.0020921 k( 442) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0020921 k( 443) = ( 0.1715686 0.1715686 0.3284314), wk = 0.0020921 k( 444) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020921 k( 445) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0020921 k( 446) = ( 0.1568627 0.1568627 0.3431373), wk = 0.0020921 k( 447) = ( 0.1519608 0.1519608 0.3480392), wk = 0.0020921 k( 448) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0020921 k( 449) = ( 0.1421569 0.1421569 0.3578431), wk = 0.0020921 k( 450) = ( 0.1372549 0.1372549 0.3627451), wk = 0.0020921 k( 451) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0020921 k( 452) = ( 0.1274510 0.1274510 0.3725490), wk = 0.0020921 k( 453) = ( 0.1225490 0.1225490 0.3774510), wk = 0.0020921 k( 454) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0020921 k( 455) = ( 0.1127451 0.1127451 0.3872549), wk = 0.0020921 k( 456) = ( 0.1078431 0.1078431 0.3921569), wk = 0.0020921 k( 457) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0020921 k( 458) = ( 0.0980392 0.0980392 0.4019608), wk = 0.0020921 k( 459) = ( 0.0931373 0.0931372 0.4068628), wk = 0.0020921 k( 460) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0020921 k( 461) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0020921 k( 462) = ( 0.0784314 0.0784314 0.4215686), wk = 0.0020921 k( 463) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0020921 k( 464) = ( 0.0686275 0.0686274 0.4313726), wk = 0.0020921 k( 465) = ( 0.0637255 0.0637255 0.4362745), wk = 0.0020921 k( 466) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0020921 k( 467) = ( 0.0539216 0.0539216 0.4460784), wk = 0.0020921 k( 468) = ( 0.0490196 0.0490196 0.4509804), wk = 0.0020921 k( 469) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0020921 k( 470) = ( 0.0392157 0.0392157 0.4607843), wk = 0.0020921 k( 471) = ( 0.0343137 0.0343137 0.4656863), wk = 0.0020921 k( 472) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0020921 k( 473) = ( 0.0245098 0.0245098 0.4754902), wk = 0.0020921 k( 474) = ( 0.0196078 0.0196078 0.4803922), wk = 0.0020921 k( 475) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0020921 k( 476) = ( 0.0098039 0.0098039 0.4901961), wk = 0.0020921 k( 477) = ( 0.0049020 0.0049020 0.4950980), wk = 0.0020921 k( 478) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 Dense grid: 5425 G-vectors FFT dimensions: ( 24, 24, 24) Smooth grid: 4417 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 22) NL pseudopotentials 0.01 Mb ( 18, 34) Each V/rho on FFT grid 0.01 Mb ( 576) Each G-vector array 0.00 Mb ( 153) G-vector shells 0.00 Mb ( 52) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 36, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Pb.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.1 secs Computing kpt #: 25 total cpu time spent up to now is 4.2 secs Computing kpt #: 26 total cpu time spent up to now is 4.3 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.4 secs Computing kpt #: 29 total cpu time spent up to now is 4.5 secs Computing kpt #: 30 total cpu time spent up to now is 4.5 secs Computing kpt #: 31 total cpu time spent up to now is 4.6 secs Computing kpt #: 32 total cpu time spent up to now is 4.7 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.9 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.1 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.3 secs Computing kpt #: 43 total cpu time spent up to now is 5.4 secs Computing kpt #: 44 total cpu time spent up to now is 5.5 secs Computing kpt #: 45 total cpu time spent up to now is 5.6 secs Computing kpt #: 46 total cpu time spent up to now is 5.6 secs Computing kpt #: 47 total cpu time spent up to now is 5.7 secs Computing kpt #: 48 total cpu time spent up to now is 5.8 secs Computing kpt #: 49 total cpu time spent up to now is 5.8 secs Computing kpt #: 50 total cpu time spent up to now is 5.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.0 secs Computing kpt #: 52 total cpu time spent up to now is 6.1 secs Computing kpt #: 53 total cpu time spent up to now is 6.1 secs Computing kpt #: 54 total cpu time spent up to now is 6.2 secs Computing kpt #: 55 total cpu time spent up to now is 6.3 secs Computing kpt #: 56 total cpu time spent up to now is 6.4 secs Computing kpt #: 57 total cpu time spent up to now is 6.4 secs Computing kpt #: 58 total cpu time spent up to now is 6.5 secs Computing kpt #: 59 total cpu time spent up to now is 6.5 secs Computing kpt #: 60 total cpu time spent up to now is 6.6 secs Computing kpt #: 61 total cpu time spent up to now is 6.7 secs Computing kpt #: 62 total cpu time spent up to now is 6.7 secs Computing kpt #: 63 total cpu time spent up to now is 6.8 secs Computing kpt #: 64 total cpu time spent up to now is 6.8 secs Computing kpt #: 65 total cpu time spent up to now is 6.9 secs Computing kpt #: 66 total cpu time spent up to now is 6.9 secs Computing kpt #: 67 total cpu time spent up to now is 7.0 secs Computing kpt #: 68 total cpu time spent up to now is 7.0 secs Computing kpt #: 69 total cpu time spent up to now is 7.1 secs Computing kpt #: 70 total cpu time spent up to now is 7.1 secs Computing kpt #: 71 total cpu time spent up to now is 7.2 secs Computing kpt #: 72 total cpu time spent up to now is 7.2 secs Computing kpt #: 73 total cpu time spent up to now is 7.3 secs Computing kpt #: 74 total cpu time spent up to now is 7.3 secs Computing kpt #: 75 total cpu time spent up to now is 7.3 secs Computing kpt #: 76 total cpu time spent up to now is 7.4 secs Computing kpt #: 77 total cpu time spent up to now is 7.4 secs Computing kpt #: 78 total cpu time spent up to now is 7.5 secs Computing kpt #: 79 total cpu time spent up to now is 7.5 secs Computing kpt #: 80 total cpu time spent up to now is 7.6 secs Computing kpt #: 81 total cpu time spent up to now is 7.6 secs Computing kpt #: 82 total cpu time spent up to now is 7.7 secs Computing kpt #: 83 total cpu time spent up to now is 7.7 secs Computing kpt #: 84 total cpu time spent up to now is 7.8 secs Computing kpt #: 85 total cpu time spent up to now is 7.8 secs Computing kpt #: 86 total cpu time spent up to now is 7.8 secs Computing kpt #: 87 total cpu time spent up to now is 7.9 secs Computing kpt #: 88 total cpu time spent up to now is 7.9 secs Computing kpt #: 89 total cpu time spent up to now is 8.0 secs Computing kpt #: 90 total cpu time spent up to now is 8.0 secs Computing kpt #: 91 total cpu time spent up to now is 8.1 secs Computing kpt #: 92 total cpu time spent up to now is 8.1 secs Computing kpt #: 93 total cpu time spent up to now is 8.2 secs Computing kpt #: 94 total cpu time spent up to now is 8.2 secs Computing kpt #: 95 total cpu time spent up to now is 8.3 secs Computing kpt #: 96 total cpu time spent up to now is 8.3 secs Computing kpt #: 97 total cpu time spent up to now is 8.3 secs Computing kpt #: 98 total cpu time spent up to now is 8.4 secs Computing kpt #: 99 total cpu time spent up to now is 8.4 secs Computing kpt #: 100 total cpu time spent up to now is 8.6 secs Computing kpt #: 101 total cpu time spent up to now is 8.7 secs Computing kpt #: 102 total cpu time spent up to now is 8.7 secs Computing kpt #: 103 total cpu time spent up to now is 8.7 secs Computing kpt #: 104 total cpu time spent up to now is 8.8 secs Computing kpt #: 105 total cpu time spent up to now is 8.8 secs Computing kpt #: 106 total cpu time spent up to now is 8.9 secs Computing kpt #: 107 total cpu time spent up to now is 8.9 secs Computing kpt #: 108 total cpu time spent up to now is 9.0 secs Computing kpt #: 109 total cpu time spent up to now is 9.0 secs Computing kpt #: 110 total cpu time spent up to now is 9.1 secs Computing kpt #: 111 total cpu time spent up to now is 9.1 secs Computing kpt #: 112 total cpu time spent up to now is 9.2 secs Computing kpt #: 113 total cpu time spent up to now is 9.2 secs Computing kpt #: 114 total cpu time spent up to now is 9.3 secs Computing kpt #: 115 total cpu time spent up to now is 9.3 secs Computing kpt #: 116 total cpu time spent up to now is 9.3 secs Computing kpt #: 117 total cpu time spent up to now is 9.4 secs Computing kpt #: 118 total cpu time spent up to now is 9.4 secs Computing kpt #: 119 total cpu time spent up to now is 9.5 secs Computing kpt #: 120 total cpu time spent up to now is 9.5 secs Computing kpt #: 121 total cpu time spent up to now is 9.6 secs Computing kpt #: 122 total cpu time spent up to now is 9.6 secs Computing kpt #: 123 total cpu time spent up to now is 9.7 secs Computing kpt #: 124 total cpu time spent up to now is 9.7 secs Computing kpt #: 125 total cpu time spent up to now is 9.8 secs Computing kpt #: 126 total cpu time spent up to now is 9.8 secs Computing kpt #: 127 total cpu time spent up to now is 9.9 secs Computing kpt #: 128 total cpu time spent up to now is 9.9 secs Computing kpt #: 129 total cpu time spent up to now is 10.0 secs Computing kpt #: 130 total cpu time spent up to now is 10.0 secs Computing kpt #: 131 total cpu time spent up to now is 10.1 secs Computing kpt #: 132 total cpu time spent up to now is 10.1 secs Computing kpt #: 133 total cpu time spent up to now is 10.2 secs Computing kpt #: 134 total cpu time spent up to now is 10.2 secs Computing kpt #: 135 total cpu time spent up to now is 10.3 secs Computing kpt #: 136 total cpu time spent up to now is 10.3 secs Computing kpt #: 137 total cpu time spent up to now is 10.4 secs Computing kpt #: 138 total cpu time spent up to now is 10.4 secs Computing kpt #: 139 total cpu time spent up to now is 10.5 secs Computing kpt #: 140 total cpu time spent up to now is 10.5 secs Computing kpt #: 141 total cpu time spent up to now is 10.6 secs Computing kpt #: 142 total cpu time spent up to now is 10.6 secs Computing kpt #: 143 total cpu time spent up to now is 10.7 secs Computing kpt #: 144 total cpu time spent up to now is 10.8 secs Computing kpt #: 145 total cpu time spent up to now is 10.8 secs Computing kpt #: 146 total cpu time spent up to now is 10.9 secs Computing kpt #: 147 total cpu time spent up to now is 10.9 secs Computing kpt #: 148 total cpu time spent up to now is 11.0 secs Computing kpt #: 149 total cpu time spent up to now is 11.0 secs Computing kpt #: 150 total cpu time spent up to now is 11.1 secs Computing kpt #: 151 total cpu time spent up to now is 11.2 secs Computing kpt #: 152 total cpu time spent up to now is 11.3 secs Computing kpt #: 153 total cpu time spent up to now is 11.4 secs Computing kpt #: 154 total cpu time spent up to now is 11.5 secs Computing kpt #: 155 total cpu time spent up to now is 11.6 secs Computing kpt #: 156 total cpu time spent up to now is 11.6 secs Computing kpt #: 157 total cpu time spent up to now is 11.7 secs Computing kpt #: 158 total cpu time spent up to now is 11.8 secs Computing kpt #: 159 total cpu time spent up to now is 11.9 secs Computing kpt #: 160 total cpu time spent up to now is 11.9 secs Computing kpt #: 161 total cpu time spent up to now is 12.0 secs Computing kpt #: 162 total cpu time spent up to now is 12.0 secs Computing kpt #: 163 total cpu time spent up to now is 12.1 secs Computing kpt #: 164 total cpu time spent up to now is 12.2 secs Computing kpt #: 165 total cpu time spent up to now is 12.2 secs Computing kpt #: 166 total cpu time spent up to now is 12.3 secs Computing kpt #: 167 total cpu time spent up to now is 12.3 secs Computing kpt #: 168 total cpu time spent up to now is 12.4 secs Computing kpt #: 169 total cpu time spent up to now is 12.4 secs Computing kpt #: 170 total cpu time spent up to now is 12.5 secs Computing kpt #: 171 total cpu time spent up to now is 12.5 secs Computing kpt #: 172 total cpu time spent up to now is 12.6 secs Computing kpt #: 173 total cpu time spent up to now is 12.7 secs Computing kpt #: 174 total cpu time spent up to now is 12.7 secs Computing kpt #: 175 total cpu time spent up to now is 12.8 secs Computing kpt #: 176 total cpu time spent up to now is 12.8 secs Computing kpt #: 177 total cpu time spent up to now is 12.9 secs Computing kpt #: 178 total cpu time spent up to now is 12.9 secs Computing kpt #: 179 total cpu time spent up to now is 13.0 secs Computing kpt #: 180 total cpu time spent up to now is 13.0 secs Computing kpt #: 181 total cpu time spent up to now is 13.1 secs Computing kpt #: 182 total cpu time spent up to now is 13.1 secs Computing kpt #: 183 total cpu time spent up to now is 13.2 secs Computing kpt #: 184 total cpu time spent up to now is 13.2 secs Computing kpt #: 185 total cpu time spent up to now is 13.3 secs Computing kpt #: 186 total cpu time spent up to now is 13.3 secs Computing kpt #: 187 total cpu time spent up to now is 13.4 secs Computing kpt #: 188 total cpu time spent up to now is 13.4 secs Computing kpt #: 189 total cpu time spent up to now is 13.5 secs Computing kpt #: 190 total cpu time spent up to now is 13.6 secs Computing kpt #: 191 total cpu time spent up to now is 13.6 secs Computing kpt #: 192 total cpu time spent up to now is 13.7 secs Computing kpt #: 193 total cpu time spent up to now is 13.7 secs Computing kpt #: 194 total cpu time spent up to now is 13.8 secs Computing kpt #: 195 total cpu time spent up to now is 13.8 secs Computing kpt #: 196 total cpu time spent up to now is 13.9 secs Computing kpt #: 197 total cpu time spent up to now is 13.9 secs Computing kpt #: 198 total cpu time spent up to now is 14.0 secs Computing kpt #: 199 total cpu time spent up to now is 14.0 secs Computing kpt #: 200 total cpu time spent up to now is 14.1 secs Computing kpt #: 201 total cpu time spent up to now is 14.1 secs Computing kpt #: 202 total cpu time spent up to now is 14.2 secs Computing kpt #: 203 total cpu time spent up to now is 14.2 secs Computing kpt #: 204 total cpu time spent up to now is 14.3 secs Computing kpt #: 205 total cpu time spent up to now is 14.4 secs Computing kpt #: 206 total cpu time spent up to now is 14.4 secs Computing kpt #: 207 total cpu time spent up to now is 14.5 secs Computing kpt #: 208 total cpu time spent up to now is 14.5 secs Computing kpt #: 209 total cpu time spent up to now is 14.6 secs Computing kpt #: 210 total cpu time spent up to now is 14.7 secs Computing kpt #: 211 total cpu time spent up to now is 14.7 secs Computing kpt #: 212 total cpu time spent up to now is 14.8 secs Computing kpt #: 213 total cpu time spent up to now is 14.9 secs Computing kpt #: 214 total cpu time spent up to now is 14.9 secs Computing kpt #: 215 total cpu time spent up to now is 15.0 secs Computing kpt #: 216 total cpu time spent up to now is 15.0 secs Computing kpt #: 217 total cpu time spent up to now is 15.1 secs Computing kpt #: 218 total cpu time spent up to now is 15.2 secs Computing kpt #: 219 total cpu time spent up to now is 15.2 secs Computing kpt #: 220 total cpu time spent up to now is 15.3 secs Computing kpt #: 221 total cpu time spent up to now is 15.4 secs Computing kpt #: 222 total cpu time spent up to now is 15.4 secs Computing kpt #: 223 total cpu time spent up to now is 15.5 secs Computing kpt #: 224 total cpu time spent up to now is 15.6 secs Computing kpt #: 225 total cpu time spent up to now is 15.7 secs Computing kpt #: 226 total cpu time spent up to now is 15.7 secs Computing kpt #: 227 total cpu time spent up to now is 15.8 secs Computing kpt #: 228 total cpu time spent up to now is 15.9 secs Computing kpt #: 229 total cpu time spent up to now is 16.0 secs Computing kpt #: 230 total cpu time spent up to now is 16.0 secs Computing kpt #: 231 total cpu time spent up to now is 16.1 secs Computing kpt #: 232 total cpu time spent up to now is 16.2 secs Computing kpt #: 233 total cpu time spent up to now is 16.3 secs Computing kpt #: 234 total cpu time spent up to now is 16.4 secs Computing kpt #: 235 total cpu time spent up to now is 16.5 secs Computing kpt #: 236 total cpu time spent up to now is 16.6 secs Computing kpt #: 237 total cpu time spent up to now is 16.7 secs Computing kpt #: 238 total cpu time spent up to now is 16.7 secs Computing kpt #: 239 total cpu time spent up to now is 16.8 secs Computing kpt #: 240 total cpu time spent up to now is 16.9 secs Computing kpt #: 241 total cpu time spent up to now is 17.0 secs Computing kpt #: 242 total cpu time spent up to now is 17.1 secs Computing kpt #: 243 total cpu time spent up to now is 17.2 secs Computing kpt #: 244 total cpu time spent up to now is 17.3 secs Computing kpt #: 245 total cpu time spent up to now is 17.4 secs Computing kpt #: 246 total cpu time spent up to now is 17.5 secs Computing kpt #: 247 total cpu time spent up to now is 17.5 secs Computing kpt #: 248 total cpu time spent up to now is 17.6 secs Computing kpt #: 249 total cpu time spent up to now is 17.7 secs Computing kpt #: 250 total cpu time spent up to now is 17.8 secs Computing kpt #: 251 total cpu time spent up to now is 17.8 secs Computing kpt #: 252 total cpu time spent up to now is 17.9 secs Computing kpt #: 253 total cpu time spent up to now is 18.0 secs Computing kpt #: 254 total cpu time spent up to now is 18.1 secs Computing kpt #: 255 total cpu time spent up to now is 18.2 secs Computing kpt #: 256 total cpu time spent up to now is 18.3 secs Computing kpt #: 257 total cpu time spent up to now is 18.3 secs Computing kpt #: 258 total cpu time spent up to now is 18.4 secs Computing kpt #: 259 total cpu time spent up to now is 18.5 secs Computing kpt #: 260 total cpu time spent up to now is 18.6 secs Computing kpt #: 261 total cpu time spent up to now is 18.6 secs Computing kpt #: 262 total cpu time spent up to now is 18.7 secs Computing kpt #: 263 total cpu time spent up to now is 18.8 secs Computing kpt #: 264 total cpu time spent up to now is 18.9 secs Computing kpt #: 265 total cpu time spent up to now is 18.9 secs Computing kpt #: 266 total cpu time spent up to now is 19.0 secs Computing kpt #: 267 total cpu time spent up to now is 19.1 secs Computing kpt #: 268 total cpu time spent up to now is 19.1 secs Computing kpt #: 269 total cpu time spent up to now is 19.2 secs Computing kpt #: 270 total cpu time spent up to now is 19.3 secs Computing kpt #: 271 total cpu time spent up to now is 19.3 secs Computing kpt #: 272 total cpu time spent up to now is 19.4 secs Computing kpt #: 273 total cpu time spent up to now is 19.5 secs Computing kpt #: 274 total cpu time spent up to now is 19.5 secs Computing kpt #: 275 total cpu time spent up to now is 19.6 secs Computing kpt #: 276 total cpu time spent up to now is 19.7 secs Computing kpt #: 277 total cpu time spent up to now is 19.7 secs Computing kpt #: 278 total cpu time spent up to now is 19.8 secs Computing kpt #: 279 total cpu time spent up to now is 19.9 secs Computing kpt #: 280 total cpu time spent up to now is 19.9 secs Computing kpt #: 281 total cpu time spent up to now is 20.0 secs Computing kpt #: 282 total cpu time spent up to now is 20.1 secs Computing kpt #: 283 total cpu time spent up to now is 20.2 secs Computing kpt #: 284 total cpu time spent up to now is 20.2 secs Computing kpt #: 285 total cpu time spent up to now is 20.3 secs Computing kpt #: 286 total cpu time spent up to now is 20.4 secs Computing kpt #: 287 total cpu time spent up to now is 20.4 secs Computing kpt #: 288 total cpu time spent up to now is 20.5 secs Computing kpt #: 289 total cpu time spent up to now is 20.6 secs Computing kpt #: 290 total cpu time spent up to now is 20.6 secs Computing kpt #: 291 total cpu time spent up to now is 20.7 secs Computing kpt #: 292 total cpu time spent up to now is 20.8 secs Computing kpt #: 293 total cpu time spent up to now is 20.9 secs Computing kpt #: 294 total cpu time spent up to now is 20.9 secs Computing kpt #: 295 total cpu time spent up to now is 21.0 secs Computing kpt #: 296 total cpu time spent up to now is 21.1 secs Computing kpt #: 297 total cpu time spent up to now is 21.2 secs Computing kpt #: 298 total cpu time spent up to now is 21.3 secs Computing kpt #: 299 total cpu time spent up to now is 21.3 secs Computing kpt #: 300 total cpu time spent up to now is 21.4 secs Computing kpt #: 301 total cpu time spent up to now is 21.6 secs Computing kpt #: 302 total cpu time spent up to now is 21.7 secs Computing kpt #: 303 total cpu time spent up to now is 21.8 secs Computing kpt #: 304 total cpu time spent up to now is 21.9 secs Computing kpt #: 305 total cpu time spent up to now is 22.0 secs Computing kpt #: 306 total cpu time spent up to now is 22.2 secs Computing kpt #: 307 total cpu time spent up to now is 22.3 secs Computing kpt #: 308 total cpu time spent up to now is 22.4 secs Computing kpt #: 309 total cpu time spent up to now is 22.5 secs Computing kpt #: 310 total cpu time spent up to now is 22.6 secs Computing kpt #: 311 total cpu time spent up to now is 22.7 secs Computing kpt #: 312 total cpu time spent up to now is 22.9 secs Computing kpt #: 313 total cpu time spent up to now is 23.0 secs Computing kpt #: 314 total cpu time spent up to now is 23.1 secs Computing kpt #: 315 total cpu time spent up to now is 23.2 secs Computing kpt #: 316 total cpu time spent up to now is 23.3 secs Computing kpt #: 317 total cpu time spent up to now is 23.5 secs Computing kpt #: 318 total cpu time spent up to now is 23.6 secs Computing kpt #: 319 total cpu time spent up to now is 23.7 secs Computing kpt #: 320 total cpu time spent up to now is 23.9 secs Computing kpt #: 321 total cpu time spent up to now is 24.0 secs Computing kpt #: 322 total cpu time spent up to now is 24.1 secs Computing kpt #: 323 total cpu time spent up to now is 24.2 secs Computing kpt #: 324 total cpu time spent up to now is 24.3 secs Computing kpt #: 325 total cpu time spent up to now is 24.4 secs Computing kpt #: 326 total cpu time spent up to now is 24.5 secs Computing kpt #: 327 total cpu time spent up to now is 24.6 secs Computing kpt #: 328 total cpu time spent up to now is 24.7 secs Computing kpt #: 329 total cpu time spent up to now is 24.8 secs Computing kpt #: 330 total cpu time spent up to now is 24.9 secs Computing kpt #: 331 total cpu time spent up to now is 25.0 secs Computing kpt #: 332 total cpu time spent up to now is 25.1 secs Computing kpt #: 333 total cpu time spent up to now is 25.3 secs Computing kpt #: 334 total cpu time spent up to now is 25.4 secs Computing kpt #: 335 total cpu time spent up to now is 25.6 secs Computing kpt #: 336 total cpu time spent up to now is 25.7 secs Computing kpt #: 337 total cpu time spent up to now is 25.8 secs Computing kpt #: 338 total cpu time spent up to now is 25.9 secs Computing kpt #: 339 total cpu time spent up to now is 26.0 secs Computing kpt #: 340 total cpu time spent up to now is 26.1 secs Computing kpt #: 341 total cpu time spent up to now is 26.2 secs Computing kpt #: 342 total cpu time spent up to now is 26.3 secs Computing kpt #: 343 total cpu time spent up to now is 26.4 secs Computing kpt #: 344 total cpu time spent up to now is 26.5 secs Computing kpt #: 345 total cpu time spent up to now is 26.5 secs Computing kpt #: 346 total cpu time spent up to now is 26.6 secs Computing kpt #: 347 total cpu time spent up to now is 26.7 secs Computing kpt #: 348 total cpu time spent up to now is 26.8 secs Computing kpt #: 349 total cpu time spent up to now is 26.8 secs Computing kpt #: 350 total cpu time spent up to now is 26.9 secs Computing kpt #: 351 total cpu time spent up to now is 27.0 secs Computing kpt #: 352 total cpu time spent up to now is 27.0 secs Computing kpt #: 353 total cpu time spent up to now is 27.1 secs Computing kpt #: 354 total cpu time spent up to now is 27.1 secs Computing kpt #: 355 total cpu time spent up to now is 27.2 secs Computing kpt #: 356 total cpu time spent up to now is 27.3 secs Computing kpt #: 357 total cpu time spent up to now is 27.3 secs Computing kpt #: 358 total cpu time spent up to now is 27.4 secs Computing kpt #: 359 total cpu time spent up to now is 27.5 secs Computing kpt #: 360 total cpu time spent up to now is 27.5 secs Computing kpt #: 361 total cpu time spent up to now is 27.6 secs Computing kpt #: 362 total cpu time spent up to now is 27.6 secs Computing kpt #: 363 total cpu time spent up to now is 27.7 secs Computing kpt #: 364 total cpu time spent up to now is 27.8 secs Computing kpt #: 365 total cpu time spent up to now is 27.8 secs Computing kpt #: 366 total cpu time spent up to now is 27.9 secs Computing kpt #: 367 total cpu time spent up to now is 27.9 secs Computing kpt #: 368 total cpu time spent up to now is 28.0 secs Computing kpt #: 369 total cpu time spent up to now is 28.0 secs Computing kpt #: 370 total cpu time spent up to now is 28.1 secs Computing kpt #: 371 total cpu time spent up to now is 28.2 secs Computing kpt #: 372 total cpu time spent up to now is 28.2 secs Computing kpt #: 373 total cpu time spent up to now is 28.3 secs Computing kpt #: 374 total cpu time spent up to now is 28.3 secs Computing kpt #: 375 total cpu time spent up to now is 28.4 secs Computing kpt #: 376 total cpu time spent up to now is 28.4 secs Computing kpt #: 377 total cpu time spent up to now is 28.5 secs Computing kpt #: 378 total cpu time spent up to now is 28.5 secs Computing kpt #: 379 total cpu time spent up to now is 28.6 secs Computing kpt #: 380 total cpu time spent up to now is 28.6 secs Computing kpt #: 381 total cpu time spent up to now is 28.7 secs Computing kpt #: 382 total cpu time spent up to now is 28.7 secs Computing kpt #: 383 total cpu time spent up to now is 28.8 secs Computing kpt #: 384 total cpu time spent up to now is 28.8 secs Computing kpt #: 385 total cpu time spent up to now is 28.9 secs Computing kpt #: 386 total cpu time spent up to now is 28.9 secs Computing kpt #: 387 total cpu time spent up to now is 29.0 secs Computing kpt #: 388 total cpu time spent up to now is 29.0 secs Computing kpt #: 389 total cpu time spent up to now is 29.1 secs Computing kpt #: 390 total cpu time spent up to now is 29.1 secs Computing kpt #: 391 total cpu time spent up to now is 29.1 secs Computing kpt #: 392 total cpu time spent up to now is 29.2 secs Computing kpt #: 393 total cpu time spent up to now is 29.2 secs Computing kpt #: 394 total cpu time spent up to now is 29.3 secs Computing kpt #: 395 total cpu time spent up to now is 29.3 secs Computing kpt #: 396 total cpu time spent up to now is 29.4 secs Computing kpt #: 397 total cpu time spent up to now is 29.4 secs Computing kpt #: 398 total cpu time spent up to now is 29.5 secs Computing kpt #: 399 total cpu time spent up to now is 29.5 secs Computing kpt #: 400 total cpu time spent up to now is 29.6 secs Computing kpt #: 401 total cpu time spent up to now is 29.6 secs Computing kpt #: 402 total cpu time spent up to now is 29.7 secs Computing kpt #: 403 total cpu time spent up to now is 29.7 secs Computing kpt #: 404 total cpu time spent up to now is 29.8 secs Computing kpt #: 405 total cpu time spent up to now is 29.9 secs Computing kpt #: 406 total cpu time spent up to now is 29.9 secs Computing kpt #: 407 total cpu time spent up to now is 30.0 secs Computing kpt #: 408 total cpu time spent up to now is 30.0 secs Computing kpt #: 409 total cpu time spent up to now is 30.1 secs Computing kpt #: 410 total cpu time spent up to now is 30.1 secs Computing kpt #: 411 total cpu time spent up to now is 30.2 secs Computing kpt #: 412 total cpu time spent up to now is 30.2 secs Computing kpt #: 413 total cpu time spent up to now is 30.3 secs Computing kpt #: 414 total cpu time spent up to now is 30.3 secs Computing kpt #: 415 total cpu time spent up to now is 30.3 secs Computing kpt #: 416 total cpu time spent up to now is 30.4 secs Computing kpt #: 417 total cpu time spent up to now is 30.4 secs Computing kpt #: 418 total cpu time spent up to now is 30.5 secs Computing kpt #: 419 total cpu time spent up to now is 30.5 secs Computing kpt #: 420 total cpu time spent up to now is 30.6 secs Computing kpt #: 421 total cpu time spent up to now is 30.6 secs Computing kpt #: 422 total cpu time spent up to now is 30.7 secs Computing kpt #: 423 total cpu time spent up to now is 30.7 secs Computing kpt #: 424 total cpu time spent up to now is 30.8 secs Computing kpt #: 425 total cpu time spent up to now is 30.8 secs Computing kpt #: 426 total cpu time spent up to now is 30.8 secs Computing kpt #: 427 total cpu time spent up to now is 30.9 secs Computing kpt #: 428 total cpu time spent up to now is 31.1 secs Computing kpt #: 429 total cpu time spent up to now is 31.2 secs Computing kpt #: 430 total cpu time spent up to now is 31.3 secs Computing kpt #: 431 total cpu time spent up to now is 31.4 secs Computing kpt #: 432 total cpu time spent up to now is 31.5 secs Computing kpt #: 433 total cpu time spent up to now is 31.6 secs Computing kpt #: 434 total cpu time spent up to now is 31.7 secs Computing kpt #: 435 total cpu time spent up to now is 31.8 secs Computing kpt #: 436 total cpu time spent up to now is 31.9 secs Computing kpt #: 437 total cpu time spent up to now is 31.9 secs Computing kpt #: 438 total cpu time spent up to now is 32.0 secs Computing kpt #: 439 total cpu time spent up to now is 32.1 secs Computing kpt #: 440 total cpu time spent up to now is 32.2 secs Computing kpt #: 441 total cpu time spent up to now is 32.2 secs Computing kpt #: 442 total cpu time spent up to now is 32.3 secs Computing kpt #: 443 total cpu time spent up to now is 32.4 secs Computing kpt #: 444 total cpu time spent up to now is 32.5 secs Computing kpt #: 445 total cpu time spent up to now is 32.5 secs Computing kpt #: 446 total cpu time spent up to now is 32.6 secs Computing kpt #: 447 total cpu time spent up to now is 32.7 secs Computing kpt #: 448 total cpu time spent up to now is 32.8 secs Computing kpt #: 449 total cpu time spent up to now is 32.8 secs Computing kpt #: 450 total cpu time spent up to now is 32.9 secs Computing kpt #: 451 total cpu time spent up to now is 33.0 secs Computing kpt #: 452 total cpu time spent up to now is 33.0 secs Computing kpt #: 453 total cpu time spent up to now is 33.1 secs Computing kpt #: 454 total cpu time spent up to now is 33.2 secs Computing kpt #: 455 total cpu time spent up to now is 33.2 secs Computing kpt #: 456 total cpu time spent up to now is 33.3 secs Computing kpt #: 457 total cpu time spent up to now is 33.4 secs Computing kpt #: 458 total cpu time spent up to now is 33.4 secs Computing kpt #: 459 total cpu time spent up to now is 33.5 secs Computing kpt #: 460 total cpu time spent up to now is 33.5 secs Computing kpt #: 461 total cpu time spent up to now is 33.6 secs Computing kpt #: 462 total cpu time spent up to now is 33.7 secs Computing kpt #: 463 total cpu time spent up to now is 33.7 secs Computing kpt #: 464 total cpu time spent up to now is 33.8 secs Computing kpt #: 465 total cpu time spent up to now is 33.8 secs Computing kpt #: 466 total cpu time spent up to now is 33.9 secs Computing kpt #: 467 total cpu time spent up to now is 34.0 secs Computing kpt #: 468 total cpu time spent up to now is 34.0 secs Computing kpt #: 469 total cpu time spent up to now is 34.1 secs Computing kpt #: 470 total cpu time spent up to now is 34.1 secs Computing kpt #: 471 total cpu time spent up to now is 34.2 secs Computing kpt #: 472 total cpu time spent up to now is 34.2 secs Computing kpt #: 473 total cpu time spent up to now is 34.3 secs Computing kpt #: 474 total cpu time spent up to now is 34.4 secs Computing kpt #: 475 total cpu time spent up to now is 34.4 secs Computing kpt #: 476 total cpu time spent up to now is 34.5 secs Computing kpt #: 477 total cpu time spent up to now is 34.5 secs Computing kpt #: 478 total cpu time spent up to now is 34.6 secs ethr = 7.14E-08, avg # of iterations = 14.0 total cpu time spent up to now is 34.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0250 6.0250 7.3397 7.3397 8.0618 8.0618 9.0593 9.0593 9.0593 9.0593 37.9850 37.9850 37.9850 37.9850 37.9850 37.9850 38.6099 38.6099 44.1264 44.1264 k = 0.0050-0.0035 0.0061 ( 555 PWs) bands (ev): 6.0251 6.0251 6.0251 6.0251 7.3415 7.3415 8.0621 8.0621 9.0589 9.0589 9.0595 9.0595 37.9796 37.9796 37.9861 37.9861 37.9863 37.9863 38.6006 38.6006 44.0733 44.0733 k = 0.0099-0.0070 0.0121 ( 555 PWs) bands (ev): 6.0256 6.0256 6.0257 6.0257 7.3471 7.3471 8.0629 8.0629 9.0577 9.0577 9.0601 9.0601 37.9634 37.9634 37.9890 37.9890 37.9901 37.9901 38.5728 38.5728 43.9360 43.9360 k = 0.0149-0.0105 0.0182 ( 555 PWs) bands (ev): 6.0264 6.0264 6.0266 6.0266 7.3565 7.3565 8.0643 8.0643 9.0558 9.0558 9.0611 9.0611 37.9366 37.9366 37.9929 37.9929 37.9964 37.9964 38.5279 38.5279 43.7497 43.7497 k = 0.0198-0.0140 0.0243 ( 555 PWs) bands (ev): 6.0275 6.0275 6.0279 6.0279 7.3695 7.3695 8.0663 8.0663 9.0531 9.0531 9.0625 9.0625 37.8997 37.8997 37.9962 37.9962 38.0049 38.0049 38.4681 38.4681 43.5360 43.5360 k = 0.0248-0.0175 0.0303 ( 555 PWs) bands (ev): 6.0289 6.0289 6.0295 6.0295 7.3863 7.3863 8.0688 8.0688 9.0496 9.0496 9.0644 9.0644 37.8533 37.8533 37.9950 37.9950 38.0156 38.0156 38.3981 38.3981 43.3059 43.3059 k = 0.0297-0.0210 0.0364 ( 563 PWs) bands (ev): 6.0306 6.0306 6.0315 6.0315 7.4067 7.4067 8.0718 8.0718 9.0454 9.0454 9.0667 9.0667 37.7980 37.7980 37.9810 37.9810 38.0280 38.0280 38.3269 38.3269 43.0653 43.0653 k = 0.0347-0.0245 0.0424 ( 571 PWs) bands (ev): 6.0327 6.0327 6.0338 6.0338 7.4307 7.4307 8.0754 8.0754 9.0404 9.0404 9.0695 9.0695 37.7344 37.7344 37.9394 37.9394 38.0420 38.0420 38.2704 38.2704 42.8178 42.8178 k = 0.0396-0.0280 0.0485 ( 571 PWs) bands (ev): 6.0350 6.0350 6.0365 6.0365 7.4583 7.4583 8.0796 8.0796 9.0347 9.0347 9.0728 9.0728 37.6635 37.6635 37.8575 37.8575 38.0570 38.0570 38.2422 38.2422 42.5663 42.5663 k = 0.0446-0.0315 0.0546 ( 571 PWs) bands (ev): 6.0376 6.0376 6.0395 6.0395 7.4895 7.4895 8.0844 8.0844 9.0283 9.0283 9.0767 9.0767 37.5859 37.5859 37.7389 37.7389 38.0726 38.0726 38.2393 38.2393 42.3128 42.3128 k = 0.0495-0.0350 0.0606 ( 571 PWs) bands (ev): 6.0405 6.0405 6.0429 6.0429 7.5240 7.5240 8.0897 8.0897 9.0212 9.0212 9.0813 9.0813 37.5025 37.5025 37.5949 37.5949 38.0880 38.0880 38.2510 38.2510 42.0593 42.0593 k = 0.0545-0.0385 0.0667 ( 571 PWs) bands (ev): 6.0436 6.0436 6.0465 6.0465 7.5620 7.5620 8.0957 8.0957 9.0135 9.0135 9.0865 9.0865 37.4140 37.4140 37.4333 37.4333 38.1026 38.1026 38.2698 38.2698 41.8079 41.8079 k = 0.0594-0.0420 0.0728 ( 571 PWs) bands (ev): 6.0471 6.0471 6.0505 6.0505 7.6032 7.6032 8.1022 8.1022 9.0051 9.0051 9.0926 9.0926 37.2585 37.2585 37.3212 37.3212 38.1153 38.1153 38.2911 38.2911 41.5608 41.5608 k = 0.0644-0.0455 0.0788 ( 567 PWs) bands (ev): 6.0508 6.0508 6.0547 6.0547 7.6475 7.6475 8.1093 8.1093 8.9960 8.9960 9.0996 9.0996 37.0733 37.0733 37.2247 37.2247 38.1252 38.1252 38.3114 38.3114 41.3204 41.3204 k = 0.0693-0.0490 0.0849 ( 567 PWs) bands (ev): 6.0548 6.0548 6.0592 6.0592 7.6948 7.6948 8.1170 8.1170 8.9864 8.9864 9.1077 9.1077 36.8796 36.8796 37.1252 37.1252 38.1310 38.1310 38.3272 38.3272 41.0900 41.0900 k = 0.0743-0.0525 0.0909 ( 567 PWs) bands (ev): 6.0590 6.0590 6.0640 6.0640 7.7449 7.7449 8.1253 8.1253 8.9762 8.9762 9.1170 9.1170 36.6788 36.6788 37.0232 37.0232 38.1312 38.1312 38.3347 38.3347 40.8733 40.8733 k = 0.0792-0.0560 0.0970 ( 567 PWs) bands (ev): 6.0635 6.0635 6.0691 6.0691 7.7974 7.7974 8.1342 8.1342 8.9654 8.9654 9.1278 9.1278 36.4721 36.4721 36.9193 36.9193 38.1245 38.1245 38.3290 38.3290 40.6754 40.6754 k = 0.0842-0.0595 0.1031 ( 567 PWs) bands (ev): 6.0682 6.0682 6.0743 6.0743 7.8522 7.8522 8.1437 8.1437 8.9542 8.9542 9.1404 9.1404 36.2607 36.2607 36.8140 36.8140 38.1089 38.1089 38.3046 38.3046 40.5020 40.5020 k = 0.0891-0.0630 0.1091 ( 567 PWs) bands (ev): 6.0732 6.0732 6.0798 6.0798 7.9088 7.9088 8.1538 8.1538 8.9425 8.9425 9.1549 9.1549 36.0454 36.0454 36.7077 36.7077 38.0829 38.0829 38.2554 38.2554 40.3591 40.3591 k = 0.0941-0.0665 0.1152 ( 567 PWs) bands (ev): 6.0784 6.0784 6.0855 6.0855 7.9668 7.9668 8.1645 8.1645 8.9303 8.9303 9.1720 9.1720 35.8269 35.8269 36.6007 36.6007 38.0447 38.0447 38.1765 38.1765 40.2519 40.2519 k = 0.0990-0.0700 0.1213 ( 567 PWs) bands (ev): 6.0839 6.0839 6.0913 6.0913 8.0258 8.0258 8.1759 8.1759 8.9178 8.9178 9.1920 9.1920 35.6061 35.6061 36.4934 36.4934 37.9929 37.9929 38.0655 38.0655 40.1828 40.1828 k = 0.1040-0.0735 0.1273 ( 567 PWs) bands (ev): 6.0896 6.0896 6.0973 6.0973 8.0850 8.0850 8.1878 8.1878 8.9050 8.9050 9.2156 9.2156 35.3835 35.3835 36.3862 36.3862 37.9236 37.9236 37.9261 37.9261 40.1510 40.1510 k = 0.1089-0.0770 0.1334 ( 571 PWs) bands (ev): 6.0956 6.0956 6.1034 6.1034 8.1438 8.1438 8.2004 8.2004 8.8918 8.8918 9.2433 9.2433 35.1597 35.1597 36.2792 36.2792 37.7545 37.7545 37.8438 37.8438 40.1525 40.1525 k = 0.1139-0.0805 0.1395 ( 571 PWs) bands (ev): 6.1018 6.1018 6.1097 6.1097 8.2015 8.2015 8.2136 8.2136 8.8784 8.8784 9.2760 9.2760 34.9353 34.9353 36.1727 36.1727 37.5636 37.5636 37.7456 37.7456 40.1823 40.1823 k = 0.1188-0.0840 0.1455 ( 571 PWs) bands (ev): 6.1082 6.1082 6.1160 6.1160 8.2273 8.2273 8.2571 8.2571 8.8649 8.8649 9.3144 9.3144 34.7107 34.7107 36.0670 36.0670 37.3560 37.3560 37.6318 37.6318 40.2351 40.2351 k = 0.1238-0.0875 0.1516 ( 571 PWs) bands (ev): 6.1149 6.1149 6.1224 6.1224 8.2417 8.2417 8.3099 8.3099 8.8512 8.8512 9.3593 9.3593 34.4863 34.4863 35.9621 35.9621 37.1361 37.1361 37.5030 37.5030 40.3067 40.3067 k = 0.1287-0.0910 0.1576 ( 571 PWs) bands (ev): 6.1218 6.1218 6.1288 6.1288 8.2567 8.2567 8.3590 8.3590 8.8375 8.8375 9.4115 9.4115 34.2625 34.2625 35.8583 35.8583 36.9075 36.9075 37.3603 37.3603 40.3936 40.3936 k = 0.1337-0.0945 0.1637 ( 571 PWs) bands (ev): 6.1289 6.1289 6.1352 6.1352 8.2722 8.2722 8.4039 8.4039 8.8237 8.8237 9.4716 9.4716 34.0397 34.0397 35.7557 35.7557 36.6729 36.6729 37.2051 37.2051 40.4931 40.4931 k = 0.1386-0.0980 0.1698 ( 571 PWs) bands (ev): 6.1362 6.1362 6.1415 6.1415 8.2882 8.2882 8.4440 8.4440 8.8101 8.8101 9.5400 9.5400 33.8182 33.8182 35.6543 35.6543 36.4342 36.4342 37.0387 37.0387 40.6034 40.6034 k = 0.1436-0.1015 0.1758 ( 567 PWs) bands (ev): 6.1437 6.1437 6.1478 6.1478 8.3048 8.3048 8.4792 8.4792 8.7967 8.7967 9.6169 9.6169 33.5981 33.5981 35.5542 35.5542 36.1929 36.1929 36.8625 36.8625 40.7229 40.7229 k = 0.1485-0.1050 0.1819 ( 567 PWs) bands (ev): 6.1514 6.1514 6.1541 6.1541 8.3218 8.3218 8.5095 8.5095 8.7835 8.7835 9.7022 9.7022 33.3799 33.3799 35.4554 35.4554 35.9502 35.9502 36.6779 36.6779 40.8505 40.8505 k = 0.1535-0.1085 0.1880 ( 567 PWs) bands (ev): 6.1593 6.1593 6.1602 6.1602 8.3392 8.3392 8.5351 8.5351 8.7708 8.7708 9.7956 9.7956 33.1636 33.1636 35.3579 35.3579 35.7071 35.7071 36.4863 36.4863 40.9854 40.9854 k = 0.1584-0.1120 0.1940 ( 567 PWs) bands (ev): 6.1661 6.1661 6.1673 6.1673 8.3569 8.3569 8.5564 8.5564 8.7586 8.7586 9.8968 9.8968 32.9494 32.9494 35.2617 35.2617 35.4642 35.4642 36.2889 36.2889 41.1269 41.1269 k = 0.1634-0.1155 0.2001 ( 575 PWs) bands (ev): 6.1718 6.1718 6.1755 6.1755 8.3749 8.3749 8.5737 8.5737 8.7470 8.7470 10.0053 10.0053 32.7374 32.7374 35.1665 35.1665 35.2221 35.2221 36.0870 36.0870 41.2745 41.2745 k = 0.1683-0.1190 0.2061 ( 567 PWs) bands (ev): 6.1773 6.1773 6.1838 6.1838 8.3931 8.3931 8.5876 8.5876 8.7363 8.7363 10.1207 10.1207 32.5278 32.5278 34.9813 34.9813 35.0721 35.0721 35.8817 35.8817 41.4277 41.4277 k = 0.1733-0.1225 0.2122 ( 563 PWs) bands (ev): 6.1826 6.1826 6.1922 6.1922 8.4111 8.4111 8.5983 8.5983 8.7267 8.7267 10.2426 10.2426 32.3207 32.3207 34.7422 34.7422 34.9777 34.9777 35.6745 35.6745 41.5861 41.5861 k = 0.1782-0.1260 0.2183 ( 563 PWs) bands (ev): 6.1875 6.1875 6.2007 6.2007 8.4289 8.4289 8.6064 8.6064 8.7184 8.7184 10.3705 10.3705 32.1161 32.1161 34.5053 34.5053 34.8823 34.8823 35.4674 35.4674 41.7495 41.7495 k = 0.1832-0.1295 0.2243 ( 563 PWs) bands (ev): 6.1921 6.1921 6.2092 6.2092 8.4462 8.4462 8.6121 8.6121 8.7119 8.7119 10.5040 10.5040 31.9140 31.9140 34.2709 34.2709 34.7834 34.7834 35.2632 35.2632 41.9175 41.9175 k = 0.1881-0.1330 0.2304 ( 563 PWs) bands (ev): 6.1964 6.1964 6.2178 6.2178 8.4624 8.4624 8.6158 8.6158 8.7074 8.7074 10.6429 10.6429 31.7144 31.7144 34.0393 34.0393 34.6763 34.6763 35.0673 35.0673 42.0899 42.0899 k = 0.1931-0.1365 0.2365 ( 563 PWs) bands (ev): 6.2002 6.2002 6.2263 6.2263 8.4774 8.4774 8.6178 8.6178 8.7056 8.7056 10.7869 10.7869 31.5172 31.5172 33.8108 33.8108 34.5517 34.5517 34.8893 34.8893 42.2665 42.2665 k = 0.1980-0.1400 0.2425 ( 571 PWs) bands (ev): 6.2035 6.2035 6.2347 6.2347 8.4904 8.4904 8.6182 8.6182 8.7070 8.7070 10.9356 10.9356 31.3224 31.3224 33.5857 33.5857 34.3991 34.3991 34.7403 34.7403 42.4469 42.4469 k = 0.2030-0.1435 0.2486 ( 571 PWs) bands (ev): 6.2064 6.2064 6.2431 6.2431 8.5013 8.5013 8.6174 8.6174 8.7119 8.7119 11.0890 11.0890 31.1300 31.1300 33.3644 33.3644 34.2178 34.2178 34.6213 34.6213 42.6311 42.6311 k = 0.2079-0.1470 0.2546 ( 571 PWs) bands (ev): 6.2088 6.2088 6.2513 6.2513 8.5097 8.5097 8.6154 8.6154 8.7206 8.7206 11.2468 11.2468 30.9397 30.9397 33.1471 33.1471 34.0175 34.0175 34.5229 34.5229 42.8186 42.8186 k = 0.2129-0.1505 0.2607 ( 571 PWs) bands (ev): 6.2106 6.2106 6.2593 6.2593 8.5158 8.5158 8.6125 8.6125 8.7331 8.7331 11.4088 11.4088 30.7515 30.7515 32.9342 32.9342 33.8070 33.8070 34.4365 34.4365 43.0093 43.0093 k = 0.2178-0.1540 0.2668 ( 571 PWs) bands (ev): 6.2118 6.2118 6.2671 6.2671 8.5198 8.5198 8.6089 8.6089 8.7492 8.7492 11.5749 11.5749 30.5652 30.5652 32.7260 32.7260 33.5913 33.5913 34.3574 34.3574 43.2029 43.2029 k = 0.2228-0.1575 0.2728 ( 570 PWs) bands (ev): 6.2125 6.2125 6.2745 6.2745 8.5223 8.5223 8.6046 8.6046 8.7682 8.7682 11.7450 11.7450 30.3806 30.3806 32.5226 32.5226 33.3729 33.3729 34.2834 34.2834 43.3988 43.3988 k = 0.2277-0.1610 0.2789 ( 570 PWs) bands (ev): 6.2125 6.2125 6.2816 6.2816 8.5238 8.5238 8.5999 8.5999 8.7898 8.7898 11.9189 11.9189 30.1976 30.1976 32.3246 32.3246 33.1533 33.1533 34.2132 34.2132 43.5967 43.5967 k = 0.2327-0.1645 0.2850 ( 570 PWs) bands (ev): 6.2118 6.2118 6.2883 6.2883 8.5248 8.5248 8.5948 8.5948 8.8134 8.8134 12.0966 12.0966 30.0158 30.0158 32.1320 32.1320 32.9332 32.9332 34.1461 34.1461 43.7957 43.7957 k = 0.2376-0.1680 0.2910 ( 570 PWs) bands (ev): 6.2104 6.2104 6.2944 6.2944 8.5256 8.5256 8.5895 8.5895 8.8388 8.8388 12.2780 12.2780 29.8352 29.8352 31.9453 31.9453 32.7132 32.7132 34.0818 34.0818 43.9947 43.9947 k = 0.2426-0.1715 0.2971 ( 570 PWs) bands (ev): 6.2084 6.2084 6.3000 6.3000 8.5266 8.5266 8.5841 8.5841 8.8656 8.8656 12.4629 12.4629 29.6556 29.6556 31.7645 31.7645 32.4937 32.4937 34.0200 34.0200 44.1917 44.1917 k = 0.2475-0.1750 0.3032 ( 570 PWs) bands (ev): 6.2056 6.2056 6.3050 6.3050 8.5280 8.5280 8.5788 8.5788 8.8936 8.8936 12.6512 12.6512 29.4768 29.4768 31.5900 31.5900 32.2751 32.2751 33.9605 33.9605 44.3830 44.3830 k = 0.2525-0.1785 0.3092 ( 570 PWs) bands (ev): 6.2022 6.2022 6.3093 6.3093 8.5299 8.5299 8.5737 8.5737 8.9227 8.9227 12.8430 12.8430 29.2986 29.2986 31.4220 31.4220 32.0575 32.0575 33.9032 33.9032 44.5611 44.5611 k = 0.2574-0.1820 0.3153 ( 570 PWs) bands (ev): 6.1980 6.1980 6.3128 6.3128 8.5325 8.5325 8.5688 8.5688 8.9526 8.9526 13.0380 13.0380 29.1210 29.1210 31.2604 31.2604 31.8413 31.8413 33.8480 33.8480 44.7080 44.7080 k = 0.2624-0.1855 0.3213 ( 570 PWs) bands (ev): 6.1931 6.1931 6.3155 6.3155 8.5359 8.5359 8.5644 8.5644 8.9833 8.9833 13.2363 13.2363 28.9438 28.9438 31.1055 31.1055 31.6265 31.6265 33.7948 33.7948 44.7816 44.7816 k = 0.2673-0.1890 0.3274 ( 562 PWs) bands (ev): 6.1875 6.1875 6.3173 6.3173 8.5401 8.5401 8.5605 8.5605 9.0147 9.0147 13.4378 13.4378 28.7671 28.7671 30.9572 30.9572 31.4134 31.4134 33.7436 33.7436 44.7184 44.7184 k = 0.2723-0.1925 0.3335 ( 562 PWs) bands (ev): 6.1812 6.1812 6.3181 6.3181 8.5452 8.5452 8.5572 8.5572 9.0467 9.0467 13.6423 13.6423 28.5908 28.5908 30.8156 30.8156 31.2021 31.2021 33.6943 33.6943 44.5142 44.5142 k = 0.2772-0.1960 0.3395 ( 562 PWs) bands (ev): 6.1742 6.1742 6.3179 6.3179 8.5513 8.5513 8.5546 8.5546 9.0792 9.0792 13.8498 13.8498 28.4149 28.4149 30.6806 30.6806 30.9927 30.9927 33.6468 33.6468 44.2300 44.2300 k = 0.2822-0.1995 0.3456 ( 562 PWs) bands (ev): 6.1666 6.1666 6.3166 6.3166 8.5529 8.5529 8.5582 8.5582 9.1122 9.1122 14.0603 14.0603 28.2396 28.2396 30.5521 30.5521 30.7855 30.7855 33.6011 33.6011 43.9088 43.9088 k = 0.2871-0.2030 0.3517 ( 562 PWs) bands (ev): 6.1583 6.1583 6.3142 6.3142 8.5521 8.5521 8.5661 8.5661 9.1457 9.1457 14.2736 14.2736 28.0649 28.0649 30.4298 30.4298 30.5805 30.5805 33.5572 33.5572 43.5697 43.5697 k = 0.2921-0.2065 0.3577 ( 562 PWs) bands (ev): 6.1494 6.1494 6.3106 6.3106 8.5523 8.5523 8.5749 8.5749 9.1795 9.1795 14.4898 14.4898 27.8910 27.8910 30.3137 30.3137 30.3778 30.3778 33.5149 33.5149 43.2210 43.2210 k = 0.2970-0.2100 0.3638 ( 562 PWs) bands (ev): 6.1400 6.1400 6.3058 6.3058 8.5536 8.5536 8.5845 8.5845 9.2137 9.2137 14.7086 14.7086 27.7181 27.7181 30.1776 30.1776 30.2035 30.2035 33.4743 33.4743 42.8670 42.8670 k = 0.3020-0.2135 0.3698 ( 562 PWs) bands (ev): 6.1299 6.1299 6.2998 6.2998 8.5560 8.5560 8.5951 8.5951 9.2482 9.2482 14.9301 14.9301 27.5462 27.5462 29.9800 29.9800 30.0989 30.0989 33.4353 33.4353 42.5100 42.5100 k = 0.3069-0.2170 0.3759 ( 562 PWs) bands (ev): 6.1194 6.1194 6.2926 6.2926 8.5596 8.5596 8.6064 8.6064 9.2829 9.2829 15.1541 15.1541 27.3757 27.3757 29.7851 29.7851 29.9996 29.9996 33.3979 33.3979 42.1516 42.1516 k = 0.3119-0.2205 0.3820 ( 562 PWs) bands (ev): 6.1085 6.1085 6.2842 6.2842 8.5645 8.5645 8.6186 8.6186 9.3178 9.3178 15.3807 15.3807 27.2067 27.2067 29.5930 29.5930 29.9054 29.9054 33.3620 33.3620 41.7928 41.7928 k = 0.3168-0.2240 0.3880 ( 554 PWs) bands (ev): 6.0971 6.0971 6.2746 6.2746 8.5705 8.5705 8.6314 8.6314 9.3529 9.3529 15.6096 15.6096 27.0395 27.0395 29.4039 29.4039 29.8159 29.8159 33.3276 33.3276 41.4343 41.4343 k = 0.3218-0.2275 0.3941 ( 558 PWs) bands (ev): 6.0853 6.0853 6.2638 6.2638 8.5778 8.5778 8.6450 8.6450 9.3881 9.3881 15.8409 15.8409 26.8742 26.8742 29.2179 29.2179 29.7308 29.7308 33.2947 33.2947 41.0766 41.0766 k = 0.3267-0.2310 0.4002 ( 558 PWs) bands (ev): 6.0732 6.0732 6.2518 6.2518 8.5864 8.5864 8.6591 8.6591 9.4234 9.4234 16.0744 16.0744 26.7110 26.7110 29.0351 29.0351 29.6497 29.6497 33.2631 33.2631 40.7205 40.7205 k = 0.3317-0.2345 0.4062 ( 558 PWs) bands (ev): 6.0608 6.0608 6.2388 6.2388 8.5962 8.5962 8.6738 8.6738 9.4588 9.4588 16.3100 16.3100 26.5503 26.5503 28.8555 28.8555 29.5722 29.5722 33.2330 33.2330 40.3663 40.3663 k = 0.3366-0.2380 0.4123 ( 558 PWs) bands (ev): 6.0482 6.0482 6.2247 6.2247 8.6072 8.6072 8.6890 8.6890 9.4941 9.4941 16.5477 16.5477 26.3923 26.3923 28.6793 28.6793 29.4981 29.4981 33.2041 33.2041 40.0144 40.0144 k = 0.3416-0.2415 0.4184 ( 558 PWs) bands (ev): 6.0354 6.0354 6.2096 6.2096 8.6193 8.6193 8.7046 8.7046 9.5293 9.5293 16.7872 16.7872 26.2371 26.2371 28.5067 28.5067 29.4269 29.4269 33.1766 33.1766 39.6652 39.6652 k = 0.3465-0.2450 0.4244 ( 558 PWs) bands (ev): 6.0224 6.0224 6.1936 6.1936 8.6326 8.6326 8.7206 8.7206 9.5644 9.5644 17.0286 17.0286 26.0849 26.0849 28.3377 28.3377 29.3581 29.3581 33.1504 33.1504 39.3189 39.3189 k = 0.3515-0.2485 0.4305 ( 554 PWs) bands (ev): 6.0093 6.0093 6.1768 6.1768 8.6469 8.6469 8.7369 8.7369 9.5994 9.5994 17.2717 17.2717 25.9361 25.9361 28.1725 28.1725 29.2915 29.2915 33.1253 33.1253 38.9761 38.9761 k = 0.3564-0.2520 0.4365 ( 554 PWs) bands (ev): 5.9962 5.9962 6.1593 6.1593 8.6622 8.6622 8.7535 8.7535 9.6341 9.6341 17.5162 17.5162 25.7908 25.7908 28.0112 28.0112 29.2265 29.2265 33.1015 33.1015 38.6370 38.6370 k = 0.3614-0.2555 0.4426 ( 554 PWs) bands (ev): 5.9831 5.9831 6.1412 6.1412 8.6784 8.6784 8.7702 8.7702 9.6686 9.6686 17.7622 17.7622 25.6494 25.6494 27.8538 27.8538 29.1627 29.1627 33.0788 33.0788 38.3021 38.3021 k = 0.3663-0.2590 0.4487 ( 546 PWs) bands (ev): 5.9701 5.9701 6.1225 6.1225 8.6953 8.6953 8.7870 8.7870 9.7027 9.7027 18.0093 18.0093 25.5119 25.5119 27.7006 27.7006 29.0997 29.0997 33.0572 33.0572 37.9717 37.9717 k = 0.3713-0.2625 0.4547 ( 546 PWs) bands (ev): 5.9571 5.9571 6.1034 6.1034 8.7130 8.7130 8.8038 8.8038 9.7364 9.7364 18.2575 18.2575 25.3788 25.3788 27.5515 27.5515 29.0369 29.0369 33.0368 33.0368 37.6462 37.6462 k = 0.3762-0.2660 0.4608 ( 546 PWs) bands (ev): 5.9442 5.9442 6.0840 6.0840 8.7313 8.7313 8.8205 8.8205 9.7697 9.7697 18.5065 18.5065 25.2502 25.2502 27.4068 27.4068 28.9739 28.9739 33.0174 33.0174 37.3261 37.3261 k = 0.3812-0.2695 0.4669 ( 546 PWs) bands (ev): 5.9315 5.9315 6.0643 6.0643 8.7500 8.7500 8.8372 8.8372 9.8025 9.8025 18.7560 18.7560 25.1265 25.1265 27.2666 27.2666 28.9100 28.9100 32.9990 32.9990 37.0120 37.0120 k = 0.3861-0.2730 0.4729 ( 546 PWs) bands (ev): 5.9191 5.9191 6.0446 6.0446 8.7692 8.7692 8.8537 8.8537 9.8346 9.8346 19.0057 19.0057 25.0080 25.0080 27.1309 27.1309 28.8448 28.8448 32.9816 32.9816 36.7042 36.7042 k = 0.3911-0.2765 0.4790 ( 546 PWs) bands (ev): 5.9068 5.9068 6.0248 6.0248 8.7886 8.7886 8.8700 8.8700 9.8661 9.8661 19.2554 19.2554 24.8951 24.8951 27.0000 27.0000 28.7776 28.7776 32.9652 32.9652 36.4033 36.4033 k = 0.3960-0.2800 0.4850 ( 554 PWs) bands (ev): 5.8949 5.8949 6.0051 6.0051 8.8082 8.8082 8.8859 8.8859 9.8969 9.8969 19.5045 19.5045 24.7881 24.7881 26.8738 26.8738 28.7079 28.7079 32.9496 32.9496 36.1100 36.1100 k = 0.4010-0.2835 0.4911 ( 554 PWs) bands (ev): 5.8832 5.8832 5.9856 5.9856 8.8279 8.8279 8.9016 8.9016 9.9270 9.9270 19.7527 19.7527 24.6876 24.6876 26.7526 26.7526 28.6348 28.6348 32.9351 32.9351 35.8248 35.8248 k = 0.4059-0.2870 0.4972 ( 554 PWs) bands (ev): 5.8720 5.8720 5.9664 5.9664 8.8474 8.8474 8.9168 8.9168 9.9561 9.9561 19.9993 19.9993 24.5942 24.5942 26.6364 26.6364 28.5579 28.5579 32.9214 32.9214 35.5485 35.5485 k = 0.4109-0.2905 0.5032 ( 554 PWs) bands (ev): 5.8611 5.8611 5.9476 5.9476 8.8669 8.8669 8.9316 8.9316 9.9843 9.9843 20.2436 20.2436 24.5084 24.5084 26.5253 26.5253 28.4763 28.4763 32.9086 32.9086 35.2818 35.2818 k = 0.4158-0.2940 0.5093 ( 554 PWs) bands (ev): 5.8506 5.8506 5.9293 5.9293 8.8860 8.8860 8.9458 8.9458 10.0115 10.0115 20.4847 20.4847 24.4312 24.4312 26.4195 26.4195 28.3894 28.3894 32.8966 32.8966 35.0254 35.0254 k = 0.4208-0.2975 0.5154 ( 554 PWs) bands (ev): 5.8406 5.8406 5.9116 5.9116 8.9047 8.9047 8.9595 8.9595 10.0377 10.0377 20.7215 20.7215 24.3636 24.3636 26.3191 26.3191 28.2965 28.2965 32.8854 32.8854 34.7801 34.7801 k = 0.4257-0.3010 0.5214 ( 550 PWs) bands (ev): 5.8311 5.8311 5.8945 5.8945 8.9229 8.9229 8.9726 8.9726 10.0627 10.0627 20.9527 20.9527 24.3068 24.3068 26.2242 26.2242 28.1969 28.1969 32.8750 32.8750 34.5466 34.5466 k = 0.4307-0.3045 0.5275 ( 550 PWs) bands (ev): 5.8220 5.8220 5.8781 5.8781 8.9405 8.9405 8.9851 8.9851 10.0865 10.0865 21.1764 21.1764 24.2625 24.2625 26.1348 26.1348 28.0899 28.0899 32.8654 32.8654 34.3257 34.3257 k = 0.4356-0.3080 0.5336 ( 550 PWs) bands (ev): 5.8135 5.8135 5.8625 5.8625 8.9574 8.9574 8.9969 8.9969 10.1090 10.1090 21.3907 21.3907 24.2325 24.2325 26.0512 26.0512 27.9751 27.9751 32.8565 32.8565 34.1181 34.1181 k = 0.4406-0.3115 0.5396 ( 550 PWs) bands (ev): 5.8055 5.8055 5.8478 5.8478 8.9734 8.9734 9.0079 9.0079 10.1301 10.1301 21.5928 21.5928 24.2192 24.2192 25.9733 25.9733 27.8519 27.8519 32.8484 32.8484 33.9244 33.9244 k = 0.4455-0.3150 0.5457 ( 558 PWs) bands (ev): 5.7981 5.7981 5.8341 5.8341 8.9886 8.9886 9.0182 9.0182 10.1498 10.1498 21.7799 21.7799 24.2254 24.2254 25.9012 25.9012 27.7201 27.7201 32.8409 32.8409 33.7453 33.7453 k = 0.4505-0.3185 0.5517 ( 558 PWs) bands (ev): 5.7912 5.7912 5.8213 5.8213 9.0027 9.0027 9.0277 9.0277 10.1681 10.1681 21.9489 21.9489 24.2537 24.2537 25.8351 25.8351 27.5795 27.5795 32.8342 32.8342 33.5812 33.5812 k = 0.4554-0.3220 0.5578 ( 558 PWs) bands (ev): 5.7850 5.7850 5.8096 5.8096 9.0158 9.0158 9.0364 9.0364 10.1848 10.1848 22.0970 22.0970 24.3065 24.3065 25.7751 25.7751 27.4300 27.4300 32.8281 32.8281 33.4326 33.4326 k = 0.4604-0.3255 0.5639 ( 558 PWs) bands (ev): 5.7794 5.7794 5.7990 5.7990 9.0277 9.0277 9.0443 9.0443 10.1999 10.1999 22.2224 22.2224 24.3852 24.3852 25.7212 25.7212 27.2720 27.2720 32.8228 32.8228 33.2996 33.2996 k = 0.4653-0.3290 0.5699 ( 562 PWs) bands (ev): 5.7744 5.7744 5.7895 5.7895 9.0384 9.0384 9.0512 9.0512 10.2133 10.2133 22.3244 22.3244 24.4898 24.4898 25.6734 25.6734 27.1058 27.1058 32.8181 32.8181 33.1824 33.1824 k = 0.4703-0.3326 0.5760 ( 562 PWs) bands (ev): 5.7701 5.7701 5.7812 5.7812 9.0478 9.0478 9.0573 9.0573 10.2251 10.2251 22.4045 22.4045 24.6181 24.6181 25.6319 25.6319 26.9323 26.9323 32.8140 32.8140 33.0811 33.0811 k = 0.4752-0.3361 0.5821 ( 574 PWs) bands (ev): 5.7664 5.7664 5.7742 5.7742 9.0558 9.0558 9.0625 9.0625 10.2351 10.2351 22.4649 22.4649 24.7666 24.7666 25.5967 25.5967 26.7524 26.7524 32.8106 32.8106 32.9957 32.9957 k = 0.4802-0.3396 0.5881 ( 578 PWs) bands (ev): 5.7633 5.7633 5.7684 5.7684 9.0624 9.0624 9.0668 9.0668 10.2433 10.2433 22.5089 22.5089 24.9307 24.9307 25.5678 25.5678 26.5680 26.5680 32.8078 32.8078 32.9261 32.9261 k = 0.4851-0.3431 0.5942 ( 586 PWs) bands (ev): 5.7610 5.7610 5.7638 5.7638 9.0676 9.0676 9.0701 9.0701 10.2498 10.2498 22.5396 22.5396 25.1045 25.1045 25.5453 25.5453 26.3817 26.3817 32.8056 32.8056 32.8720 32.8720 k = 0.4901-0.3466 0.6002 ( 586 PWs) bands (ev): 5.7593 5.7593 5.7605 5.7605 9.0714 9.0714 9.0725 9.0725 10.2544 10.2544 22.5595 22.5595 25.2799 25.2799 25.5292 25.5292 26.1993 26.1993 32.8041 32.8041 32.8335 32.8335 k = 0.4950-0.3501 0.6063 ( 586 PWs) bands (ev): 5.7582 5.7582 5.7586 5.7586 9.0736 9.0736 9.0739 9.0739 10.2572 10.2572 22.5707 22.5707 25.4380 25.4380 25.5195 25.5195 26.0377 26.0377 32.8032 32.8032 32.8105 32.8105 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 5.7579 5.7579 5.7579 5.7579 9.0744 9.0744 9.0744 9.0744 10.2581 10.2581 22.5743 22.5743 25.5163 25.5163 25.5163 25.5163 25.9583 25.9583 32.8029 32.8029 32.8029 32.8029 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 5.7579 5.7579 5.7579 5.7579 9.0744 9.0744 9.0744 9.0744 10.2581 10.2581 22.5743 22.5743 25.5163 25.5163 25.5163 25.5163 25.9583 25.9583 32.8029 32.8029 32.8029 32.8029 k = 0.4931-0.3486 0.6124 ( 586 PWs) bands (ev): 5.7583 5.7583 5.7585 5.7585 9.0732 9.0732 9.0744 9.0744 10.2572 10.2572 22.5708 22.5708 25.4427 25.4427 25.5150 25.5150 26.0373 26.0373 32.8049 32.8049 32.8086 32.8086 k = 0.4861-0.3437 0.6124 ( 586 PWs) bands (ev): 5.7595 5.7595 5.7602 5.7602 9.0695 9.0695 9.0744 9.0744 10.2545 10.2545 22.5601 22.5601 25.2937 25.2937 25.5114 25.5114 26.2027 26.2027 32.8112 32.8112 32.8258 32.8258 k = 0.4792-0.3388 0.6124 ( 586 PWs) bands (ev): 5.7614 5.7614 5.7631 5.7631 9.0634 9.0634 9.0745 9.0745 10.2499 10.2499 22.5422 22.5422 25.1276 25.1276 25.5056 25.5056 26.3958 26.3958 32.8218 32.8218 32.8544 32.8544 k = 0.4722-0.3339 0.6124 ( 584 PWs) bands (ev): 5.7642 5.7642 5.7672 5.7672 9.0549 9.0549 9.0746 9.0746 10.2436 10.2436 22.5164 22.5164 24.9602 24.9602 25.4985 25.4985 26.6008 26.6008 32.8368 32.8368 32.8940 32.8940 k = 0.4653-0.3290 0.6124 ( 570 PWs) bands (ev): 5.7677 5.7677 5.7724 5.7724 9.0440 9.0440 9.0747 9.0747 10.2356 10.2356 22.4826 22.4826 24.7963 24.7963 25.4906 25.4906 26.8126 26.8126 32.8565 32.8565 32.9447 32.9447 k = 0.4583-0.3241 0.6124 ( 570 PWs) bands (ev): 5.7720 5.7720 5.7788 5.7788 9.0308 9.0308 9.0748 9.0748 10.2259 10.2259 22.4401 22.4401 24.6379 24.6379 25.4829 25.4829 27.0288 27.0288 32.8810 32.8810 33.0058 33.0058 k = 0.4514-0.3192 0.6124 ( 562 PWs) bands (ev): 5.7769 5.7769 5.7862 5.7862 9.0153 9.0153 9.0748 9.0748 10.2146 10.2146 22.3887 22.3887 24.4857 24.4857 25.4765 25.4765 27.2479 27.2479 32.9107 32.9107 33.0771 33.0771 k = 0.4444-0.3143 0.6124 ( 562 PWs) bands (ev): 5.7826 5.7826 5.7947 5.7947 8.9976 8.9976 9.0749 9.0749 10.2018 10.2018 22.3281 22.3281 24.3398 24.3398 25.4725 25.4725 27.4688 27.4688 32.9461 32.9461 33.1580 33.1580 k = 0.4375-0.3094 0.6124 ( 554 PWs) bands (ev): 5.7890 5.7890 5.8043 5.8043 8.9777 8.9777 9.0749 9.0749 10.1875 10.1875 22.2583 22.2583 24.1999 24.1999 25.4721 25.4721 27.6905 27.6905 32.9875 32.9875 33.2484 33.2484 k = 0.4306-0.3044 0.6124 ( 554 PWs) bands (ev): 5.7960 5.7960 5.8149 5.8149 8.9557 8.9557 9.0748 9.0748 10.1719 10.1719 22.1796 22.1796 24.0652 24.0652 25.4764 25.4764 27.9121 27.9121 33.0355 33.0355 33.3475 33.3475 k = 0.4236-0.2995 0.6124 ( 550 PWs) bands (ev): 5.8036 5.8036 5.8266 5.8266 8.9318 8.9318 9.0746 9.0746 10.1551 10.1551 22.0927 22.0927 23.9350 23.9350 25.4863 25.4863 28.1327 28.1327 33.0907 33.0907 33.4551 33.4551 k = 0.4167-0.2946 0.6124 ( 550 PWs) bands (ev): 5.8118 5.8118 5.8391 5.8391 8.9060 8.9060 9.0743 9.0743 10.1371 10.1371 21.9983 21.9983 23.8081 23.8081 25.5029 25.5029 28.3512 28.3512 33.1539 33.1539 33.5706 33.5706 k = 0.4097-0.2897 0.6124 ( 550 PWs) bands (ev): 5.8205 5.8205 5.8526 5.8526 8.8785 8.8785 9.0738 9.0738 10.1181 10.1181 21.8975 21.8975 23.6834 23.6834 25.5266 25.5266 28.5666 28.5666 33.2258 33.2258 33.6937 33.6937 k = 0.4028-0.2848 0.6124 ( 554 PWs) bands (ev): 5.8297 5.8297 5.8670 5.8670 8.8492 8.8492 9.0731 9.0731 10.0983 10.0983 21.7913 21.7913 23.5598 23.5598 25.5580 25.5580 28.7779 28.7779 33.3072 33.3072 33.8240 33.8240 k = 0.3958-0.2799 0.6124 ( 554 PWs) bands (ev): 5.8393 5.8393 5.8822 5.8822 8.8185 8.8185 9.0722 9.0722 10.0778 10.0778 21.6809 21.6809 23.4364 23.4364 25.5973 25.5973 28.9839 28.9839 33.3990 33.3990 33.9610 33.9610 k = 0.3889-0.2750 0.6124 ( 554 PWs) bands (ev): 5.8493 5.8493 5.8981 5.8981 8.7864 8.7864 9.0710 9.0710 10.0567 10.0567 21.5674 21.5674 23.3124 23.3124 25.6447 25.6447 29.1836 29.1836 33.5020 33.5020 34.1045 34.1045 k = 0.3819-0.2701 0.6124 ( 554 PWs) bands (ev): 5.8596 5.8596 5.9148 5.9148 8.7530 8.7530 9.0695 9.0695 10.0352 10.0352 21.4517 21.4517 23.1872 23.1872 25.7000 25.7000 29.3759 29.3759 33.6172 33.6172 34.2542 34.2542 k = 0.3750-0.2652 0.6124 ( 554 PWs) bands (ev): 5.8702 5.8702 5.9321 5.9321 8.7186 8.7186 9.0676 9.0676 10.0134 10.0134 21.3349 21.3349 23.0605 23.0605 25.7630 25.7630 29.5599 29.5599 33.7452 33.7452 34.4097 34.4097 k = 0.3681-0.2603 0.6124 ( 556 PWs) bands (ev): 5.8810 5.8810 5.9499 5.9499 8.6833 8.6833 9.0654 9.0654 9.9915 9.9915 21.2176 21.2176 22.9319 22.9319 25.8336 25.8336 29.7346 29.7346 33.8866 33.8866 34.5710 34.5710 k = 0.3611-0.2553 0.6124 ( 556 PWs) bands (ev): 5.8919 5.8919 5.9682 5.9682 8.6472 8.6472 9.0626 9.0626 9.9697 9.9697 21.1006 21.1006 22.8014 22.8014 25.9113 25.9113 29.8995 29.8995 34.0417 34.0417 34.7379 34.7379 k = 0.3542-0.2504 0.6124 ( 556 PWs) bands (ev): 5.9029 5.9029 5.9868 5.9868 8.6106 8.6106 9.0593 9.0593 9.9482 9.9482 20.9844 20.9844 22.6689 22.6689 25.9958 25.9958 30.0542 30.0542 34.2108 34.2108 34.9104 34.9104 k = 0.3472-0.2455 0.6124 ( 556 PWs) bands (ev): 5.9138 5.9138 6.0057 6.0057 8.5736 8.5736 9.0555 9.0555 9.9271 9.9271 20.8695 20.8695 22.5345 22.5345 26.0867 26.0867 30.1983 30.1983 34.3937 34.3937 35.0883 35.0883 k = 0.3403-0.2406 0.6124 ( 556 PWs) bands (ev): 5.9247 5.9247 6.0248 6.0248 8.5365 8.5365 9.0510 9.0510 9.9066 9.9066 20.7564 20.7564 22.3983 22.3983 26.1836 26.1836 30.3320 30.3320 34.5896 34.5896 35.2720 35.2720 k = 0.3333-0.2357 0.6124 ( 556 PWs) bands (ev): 5.9355 5.9355 6.0439 6.0439 8.4994 8.4994 9.0459 9.0459 9.8868 9.8868 20.6453 20.6453 22.2605 22.2605 26.2861 26.2861 30.4556 30.4556 34.7979 34.7979 35.4617 35.4617 k = 0.3264-0.2308 0.6124 ( 556 PWs) bands (ev): 5.9460 5.9460 6.0629 6.0629 8.4626 8.4626 9.0401 9.0401 9.8680 9.8680 20.5364 20.5364 22.1213 22.1213 26.3939 26.3939 30.5696 30.5696 35.0172 35.0172 35.6579 35.6579 k = 0.3194-0.2259 0.6124 ( 556 PWs) bands (ev): 5.9562 5.9562 6.0817 6.0817 8.4263 8.4263 9.0336 9.0336 9.8502 9.8502 20.4301 20.4301 21.9808 21.9808 26.5066 26.5066 30.6745 30.6745 35.2459 35.2459 35.8613 35.8613 k = 0.3125-0.2210 0.6124 ( 556 PWs) bands (ev): 5.9660 5.9660 6.1001 6.1001 8.3908 8.3908 9.0264 9.0264 9.8336 9.8336 20.3265 20.3265 21.8393 21.8393 26.6238 26.6238 30.7710 30.7710 35.4820 35.4820 36.0730 36.0730 k = 0.3056-0.2161 0.6124 ( 556 PWs) bands (ev): 5.9753 5.9753 6.1179 6.1179 8.3562 8.3562 9.0185 9.0185 9.8183 9.8183 20.2257 20.2257 21.6971 21.6971 26.7453 26.7453 30.8601 30.8601 35.7231 35.7231 36.2943 36.2943 k = 0.2986-0.2111 0.6124 ( 552 PWs) bands (ev): 5.9841 5.9841 6.1351 6.1351 8.3227 8.3227 9.0099 9.0099 9.8044 9.8044 20.1277 20.1277 21.5542 21.5542 26.8707 26.8707 30.9424 30.9424 35.9666 35.9666 36.5269 36.5269 k = 0.2917-0.2062 0.6124 ( 552 PWs) bands (ev): 5.9923 5.9923 6.1514 6.1514 8.2908 8.2908 9.0007 9.0007 9.7920 9.7920 20.0327 20.0327 21.4109 21.4109 26.9996 26.9996 31.0187 31.0187 36.2099 36.2099 36.7722 36.7722 k = 0.2847-0.2013 0.6124 ( 552 PWs) bands (ev): 5.9998 5.9998 6.1666 6.1666 8.2605 8.2605 8.9909 8.9909 9.7811 9.7811 19.9408 19.9408 21.2675 21.2675 27.1319 27.1319 31.0898 31.0898 36.4511 36.4511 37.0313 37.0313 k = 0.2778-0.1964 0.6124 ( 552 PWs) bands (ev): 6.0065 6.0065 6.1806 6.1806 8.2321 8.2321 8.9807 8.9807 9.7717 9.7717 19.8518 19.8518 21.1241 21.1241 27.2672 27.2672 31.1563 31.1563 36.6891 36.6891 37.3044 37.3044 k = 0.2708-0.1915 0.6124 ( 552 PWs) bands (ev): 6.0124 6.0124 6.1932 6.1932 8.2059 8.2059 8.9701 8.9701 9.7639 9.7639 19.7659 19.7659 20.9810 20.9810 27.4052 27.4052 31.2188 31.2188 36.9236 36.9236 37.5908 37.5908 k = 0.2639-0.1866 0.6124 ( 552 PWs) bands (ev): 6.0174 6.0174 6.2042 6.2042 8.1820 8.1820 8.9592 8.9592 9.7577 9.7577 19.6830 19.6830 20.8383 20.8383 27.5457 27.5457 31.2780 31.2780 37.1552 37.1552 37.8892 37.8892 k = 0.2569-0.1817 0.6124 ( 552 PWs) bands (ev): 6.0215 6.0215 6.2135 6.2135 8.1606 8.1606 8.9482 8.9482 9.7529 9.7529 19.6031 19.6031 20.6962 20.6962 27.6884 27.6884 31.3344 31.3344 37.3847 37.3847 38.1981 38.1981 k = 0.2500-0.1768 0.6124 ( 552 PWs) bands (ev): 6.0247 6.0247 6.2209 6.2209 8.1420 8.1420 8.9371 8.9371 9.7497 9.7497 19.5262 19.5262 20.5549 20.5549 27.8331 27.8331 31.3884 31.3884 37.6128 37.6128 38.5160 38.5160 k = 0.2431-0.1719 0.6124 ( 552 PWs) bands (ev): 6.0268 6.0268 6.2263 6.2263 8.1263 8.1263 8.9262 8.9262 9.7478 9.7478 19.4521 19.4521 20.4147 20.4147 27.9795 27.9795 31.4404 31.4404 37.8404 37.8404 38.8413 38.8413 k = 0.2361-0.1670 0.6124 ( 556 PWs) bands (ev): 6.0279 6.0279 6.2297 6.2297 8.1135 8.1135 8.9155 8.9155 9.7473 9.7473 19.3809 19.3809 20.2758 20.2758 28.1273 28.1273 31.4908 31.4908 38.0680 38.0680 39.1730 39.1730 k = 0.2292-0.1620 0.6124 ( 556 PWs) bands (ev): 6.0279 6.0279 6.2309 6.2309 8.1038 8.1038 8.9051 8.9051 9.7481 9.7481 19.3124 19.3124 20.1383 20.1383 28.2762 28.2762 31.5399 31.5399 38.2959 38.2959 39.5098 39.5098 k = 0.2222-0.1571 0.6124 ( 556 PWs) bands (ev): 6.0269 6.0269 6.2300 6.2300 8.0972 8.0972 8.8952 8.8952 9.7501 9.7501 19.2465 19.2465 20.0024 20.0024 28.4261 28.4261 31.5881 31.5881 38.5244 38.5244 39.8509 39.8509 k = 0.2153-0.1522 0.6124 ( 556 PWs) bands (ev): 6.0249 6.0249 6.2269 6.2269 8.0937 8.0937 8.8859 8.8859 9.7532 9.7532 19.1831 19.1831 19.8685 19.8685 28.5766 28.5766 31.6356 31.6356 38.7538 38.7538 40.1951 40.1951 k = 0.2083-0.1473 0.6124 ( 556 PWs) bands (ev): 6.0218 6.0218 6.2218 6.2218 8.0931 8.0931 8.8772 8.8772 9.7574 9.7574 19.1220 19.1220 19.7368 19.7368 28.7274 28.7274 31.6827 31.6827 38.9842 38.9842 40.5413 40.5413 k = 0.2014-0.1424 0.6124 ( 556 PWs) bands (ev): 6.0177 6.0177 6.2146 6.2146 8.0955 8.0955 8.8692 8.8692 9.7625 9.7625 19.0630 19.0630 19.6077 19.6077 28.8783 28.8783 31.7295 31.7295 39.2156 39.2156 40.8882 40.8882 k = 0.1944-0.1375 0.6124 ( 556 PWs) bands (ev): 6.0127 6.0127 6.2055 6.2055 8.1007 8.1007 8.8620 8.8620 9.7685 9.7685 19.0057 19.0057 19.4816 19.4816 29.0289 29.0289 31.7764 31.7764 39.4480 39.4480 41.2336 41.2336 k = 0.1875-0.1326 0.6124 ( 562 PWs) bands (ev): 6.0067 6.0067 6.1947 6.1947 8.1084 8.1084 8.8556 8.8556 9.7754 9.7754 18.9496 18.9496 19.3591 19.3591 29.1789 29.1789 31.8234 31.8234 39.6814 39.6814 41.5734 41.5734 k = 0.1806-0.1277 0.6124 ( 562 PWs) bands (ev): 5.9999 5.9999 6.1822 6.1822 8.1186 8.1186 8.8500 8.8500 9.7830 9.7830 18.8939 18.8939 19.2412 19.2412 29.3280 29.3280 31.8708 31.8708 39.9156 39.9156 41.8979 41.8979 k = 0.1736-0.1228 0.6124 ( 562 PWs) bands (ev): 5.9923 5.9923 6.1684 6.1684 8.1309 8.1309 8.8453 8.8453 9.7913 9.7913 18.8371 18.8371 19.1294 19.1294 29.4758 29.4758 31.9188 31.9188 40.1507 40.1507 42.1782 42.1782 k = 0.1667-0.1179 0.6124 ( 562 PWs) bands (ev): 5.9839 5.9839 6.1534 6.1534 8.1451 8.1451 8.8414 8.8414 9.8002 9.8002 18.7771 18.7771 19.0261 19.0261 29.6219 29.6219 31.9675 31.9675 40.3864 40.3864 42.3304 42.3304 k = 0.1597-0.1129 0.6124 ( 562 PWs) bands (ev): 5.9750 5.9750 6.1373 6.1373 8.1610 8.1610 8.8384 8.8384 9.8096 9.8096 18.7104 18.7104 18.9346 18.9346 29.7659 29.7659 32.0170 32.0170 40.6225 40.6225 42.2921 42.2921 k = 0.1528-0.1080 0.6124 ( 562 PWs) bands (ev): 5.9655 5.9655 6.1205 6.1205 8.1783 8.1783 8.8362 8.8362 9.8195 9.8195 18.6344 18.6344 18.8579 18.8579 29.9074 29.9074 32.0676 32.0676 40.8586 40.8586 42.1545 42.1545 k = 0.1458-0.1031 0.6124 ( 558 PWs) bands (ev): 5.9556 5.9556 6.1030 6.1030 8.1967 8.1967 8.8347 8.8347 9.8297 9.8297 18.5496 18.5496 18.7955 18.7955 30.0458 30.0458 32.1194 32.1194 41.0940 41.0940 41.9871 41.9871 k = 0.1389-0.0982 0.6124 ( 558 PWs) bands (ev): 5.9453 5.9453 6.0851 6.0851 8.2161 8.2161 8.8340 8.8340 9.8403 9.8403 18.4590 18.4590 18.7444 18.7444 30.1807 30.1807 32.1724 32.1724 41.3263 41.3263 41.8139 41.8139 k = 0.1319-0.0933 0.6124 ( 558 PWs) bands (ev): 5.9347 5.9347 6.0670 6.0670 8.2360 8.2360 8.8340 8.8340 9.8512 9.8512 18.3664 18.3664 18.7011 18.7011 30.3117 30.3117 32.2268 32.2268 41.5272 41.5272 41.6696 41.6696 k = 0.1250-0.0884 0.6124 ( 558 PWs) bands (ev): 5.9240 5.9240 6.0489 6.0489 8.2563 8.2563 8.8346 8.8346 9.8622 9.8622 18.2742 18.2742 18.6633 18.6633 30.4381 30.4381 32.2827 32.2827 41.4408 41.4408 41.7627 41.7627 k = 0.1181-0.0835 0.6124 ( 558 PWs) bands (ev): 5.9132 5.9132 6.0309 6.0309 8.2768 8.2768 8.8358 8.8358 9.8733 9.8733 18.1838 18.1838 18.6296 18.6296 30.5595 30.5595 32.3402 32.3402 41.2768 41.2768 41.6281 41.6281 k = 0.1111-0.0786 0.6124 ( 554 PWs) bands (ev): 5.9024 5.9024 6.0131 6.0131 8.2971 8.2971 8.8375 8.8375 9.8844 9.8844 18.0963 18.0963 18.5992 18.5992 30.6753 30.6753 32.3990 32.3990 41.1141 41.1141 41.4766 41.4766 k = 0.1042-0.0737 0.6124 ( 554 PWs) bands (ev): 5.8918 5.8918 5.9957 5.9957 8.3172 8.3172 8.8397 8.8397 9.8955 9.8955 18.0122 18.0122 18.5716 18.5716 30.7850 30.7850 32.4593 32.4593 40.9566 40.9566 41.3296 41.3296 k = 0.0972-0.0687 0.6124 ( 554 PWs) bands (ev): 5.8814 5.8814 5.9790 5.9790 8.3367 8.3367 8.8422 8.8422 9.9064 9.9064 17.9320 17.9320 18.5464 18.5464 30.8883 30.8883 32.5207 32.5207 40.8055 40.8055 41.1885 41.1885 k = 0.0903-0.0638 0.6124 ( 554 PWs) bands (ev): 5.8713 5.8713 5.9628 5.9628 8.3555 8.3555 8.8451 8.8451 9.9170 9.9170 17.8562 17.8562 18.5235 18.5235 30.9847 30.9847 32.5830 32.5830 40.6614 40.6614 41.0541 41.0541 k = 0.0833-0.0589 0.6124 ( 552 PWs) bands (ev): 5.8616 5.8616 5.9475 5.9475 8.3735 8.3735 8.8482 8.8482 9.9273 9.9273 17.7849 17.7849 18.5026 18.5026 31.0740 31.0740 32.6457 32.6457 40.5248 40.5248 40.9270 40.9270 k = 0.0764-0.0540 0.6124 ( 552 PWs) bands (ev): 5.8524 5.8524 5.9330 5.9330 8.3905 8.3905 8.8515 8.8515 9.9373 9.9373 17.7184 17.7184 18.4837 18.4837 31.1560 31.1560 32.7082 32.7082 40.3962 40.3962 40.8077 40.8077 k = 0.0694-0.0491 0.6124 ( 552 PWs) bands (ev): 5.8437 5.8437 5.9196 5.9196 8.4064 8.4064 8.8548 8.8548 9.9467 9.9467 17.6570 17.6570 18.4667 18.4667 31.2304 31.2304 32.7698 32.7698 40.2759 40.2759 40.6969 40.6969 k = 0.0625-0.0442 0.6124 ( 552 PWs) bands (ev): 5.8356 5.8356 5.9071 5.9071 8.4210 8.4210 8.8582 8.8582 9.9555 9.9555 17.6008 17.6008 18.4515 18.4515 31.2974 31.2974 32.8298 32.8298 40.1645 40.1645 40.5951 40.5951 k = 0.0556-0.0393 0.6124 ( 556 PWs) bands (ev): 5.8282 5.8282 5.8958 5.8958 8.4342 8.4342 8.8614 8.8614 9.9637 9.9637 17.5500 17.5500 18.4380 18.4380 31.3568 31.3568 32.8871 32.8871 40.0626 40.0626 40.5027 40.5027 k = 0.0486-0.0344 0.6124 ( 556 PWs) bands (ev): 5.8215 5.8215 5.8857 5.8857 8.4461 8.4461 8.8645 8.8645 9.9711 9.9711 17.5048 17.5048 18.4262 18.4262 31.4088 31.4088 32.9408 32.9408 39.9707 39.9707 40.4202 40.4202 k = 0.0417-0.0295 0.6124 ( 556 PWs) bands (ev): 5.8157 5.8157 5.8769 5.8769 8.4564 8.4564 8.8674 8.8674 9.9777 9.9777 17.4653 17.4653 18.4160 18.4160 31.4535 31.4535 32.9900 32.9900 39.8894 39.8894 40.3480 40.3480 k = 0.0347-0.0246 0.6124 ( 556 PWs) bands (ev): 5.8106 5.8106 5.8693 5.8693 8.4653 8.4653 8.8700 8.8700 9.9834 9.9834 17.4317 17.4317 18.4074 18.4074 31.4911 31.4911 33.0336 33.0336 39.8193 39.8193 40.2864 40.2864 k = 0.0278-0.0196 0.6124 ( 556 PWs) bands (ev): 5.8064 5.8064 5.8630 5.8630 8.4725 8.4725 8.8722 8.8722 9.9882 9.9882 17.4041 17.4041 18.4005 18.4005 31.5216 31.5216 33.0707 33.0707 39.7610 39.7610 40.2356 40.2356 k = 0.0208-0.0147 0.6124 ( 556 PWs) bands (ev): 5.8031 5.8031 5.8581 5.8581 8.4782 8.4782 8.8740 8.8740 9.9919 9.9919 17.3825 17.3825 18.3951 18.3951 31.5452 31.5452 33.1005 33.1005 39.7150 39.7150 40.1959 40.1959 k = 0.0139-0.0098 0.6124 ( 552 PWs) bands (ev): 5.8008 5.8008 5.8546 5.8546 8.4823 8.4823 8.8753 8.8753 9.9946 9.9946 17.3670 17.3670 18.3913 18.3913 31.5620 31.5620 33.1223 33.1223 39.6818 39.6818 40.1674 40.1674 k = 0.0069-0.0049 0.6124 ( 552 PWs) bands (ev): 5.7993 5.7993 5.8525 5.8525 8.4847 8.4847 8.8761 8.8761 9.9963 9.9963 17.3577 17.3577 18.3890 18.3890 31.5720 31.5720 33.1356 33.1356 39.6617 39.6617 40.1503 40.1503 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 5.7989 5.7989 5.8518 5.8518 8.4855 8.4855 8.8764 8.8764 9.9968 9.9968 17.3546 17.3546 18.3882 18.3882 31.5753 31.5753 33.1400 33.1400 39.6550 39.6550 40.1446 40.1446 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 5.7989 5.7989 5.8518 5.8518 8.4855 8.4855 8.8764 8.8764 9.9968 9.9968 17.3546 17.3546 18.3882 18.3882 31.5753 31.5753 33.1400 33.1400 39.6550 39.6550 40.1446 40.1446 k = 0.0000 0.0000 0.6039 ( 554 PWs) bands (ev): 5.7992 5.7992 5.8520 5.8520 8.4856 8.4856 8.8760 8.8760 9.9959 9.9959 17.2875 17.2875 18.4582 18.4582 31.5783 31.5783 33.1428 33.1428 39.6542 39.6542 40.1438 40.1438 k = 0.0000 0.0000 0.5954 ( 554 PWs) bands (ev): 5.8003 5.8003 5.8524 5.8524 8.4859 8.4859 8.8748 8.8748 9.9931 9.9931 17.1227 17.1227 18.6319 18.6319 31.5872 31.5872 33.1512 33.1512 39.6518 39.6518 40.1413 40.1413 k = 0.0000 0.0000 0.5869 ( 554 PWs) bands (ev): 5.8020 5.8020 5.8532 5.8532 8.4865 8.4865 8.8729 8.8729 9.9884 9.9884 16.9115 16.9115 18.8578 18.8578 31.6019 31.6019 33.1651 33.1651 39.6479 39.6479 40.1373 40.1373 k = 0.0000 0.0000 0.5784 ( 554 PWs) bands (ev): 5.8045 5.8045 5.8543 5.8543 8.4872 8.4872 8.8702 8.8702 9.9818 9.9818 16.6803 16.6803 19.1097 19.1097 31.6225 31.6225 33.1845 33.1845 39.6424 39.6424 40.1316 40.1316 k = 0.0000 0.0000 0.5698 ( 554 PWs) bands (ev): 5.8076 5.8076 5.8557 5.8557 8.4881 8.4881 8.8668 8.8668 9.9735 9.9735 16.4405 16.4405 19.3761 19.3761 31.6489 31.6489 33.2096 33.2096 39.6353 39.6353 40.1243 40.1243 k = 0.0000 0.0000 0.5613 ( 554 PWs) bands (ev): 5.8114 5.8114 5.8574 5.8574 8.4893 8.4893 8.8625 8.8625 9.9634 9.9634 16.1973 16.1973 19.6518 19.6518 31.6810 31.6810 33.2402 33.2402 39.6269 39.6269 40.1154 40.1154 k = 0.0000 0.0000 0.5528 ( 554 PWs) bands (ev): 5.8159 5.8159 5.8594 5.8594 8.4906 8.4906 8.8575 8.8575 9.9516 9.9516 15.9533 15.9533 19.9341 19.9341 31.7188 31.7188 33.2764 33.2764 39.6170 39.6170 40.1049 40.1049 k = 0.0000 0.0000 0.5443 ( 553 PWs) bands (ev): 5.8209 5.8209 5.8618 5.8618 8.4922 8.4922 8.8517 8.8517 9.9382 9.9382 15.7098 15.7098 20.2218 20.2218 31.7622 31.7622 33.3182 33.3182 39.6058 39.6058 40.0929 40.0929 k = 0.0000 0.0000 0.5358 ( 555 PWs) bands (ev): 5.8264 5.8264 5.8645 5.8645 8.4940 8.4940 8.8450 8.8450 9.9232 9.9232 15.4679 15.4679 20.5138 20.5138 31.8111 31.8111 33.3656 33.3656 39.5932 39.5932 40.0793 40.0793 k = 0.0000 0.0000 0.5273 ( 553 PWs) bands (ev): 5.8325 5.8325 5.8676 5.8676 8.4960 8.4960 8.8376 8.8376 9.9068 9.9068 15.2280 15.2280 20.8097 20.8097 31.8654 31.8654 33.4186 33.4186 39.5795 39.5795 40.0642 40.0642 k = 0.0000 0.0000 0.5188 ( 559 PWs) bands (ev): 5.8389 5.8389 5.8712 5.8712 8.4983 8.4983 8.8294 8.8294 9.8889 9.8889 14.9904 14.9904 21.1090 21.1090 31.9249 31.9249 33.4771 33.4771 39.5646 39.5646 40.0476 40.0476 k = 0.0000 0.0000 0.5103 ( 559 PWs) bands (ev): 5.8456 5.8456 5.8753 5.8753 8.5008 8.5008 8.8203 8.8203 9.8698 9.8698 14.7556 14.7556 21.4115 21.4115 31.9896 31.9896 33.5413 33.5413 39.5488 39.5488 40.0296 40.0296 k = 0.0000 0.0000 0.5018 ( 559 PWs) bands (ev): 5.8524 5.8524 5.8800 5.8800 8.5035 8.5035 8.8104 8.8104 9.8496 9.8496 14.5235 14.5235 21.7170 21.7170 32.0593 32.0593 33.6111 33.6111 39.5319 39.5319 40.0100 40.0100 k = 0.0000 0.0000 0.4933 ( 559 PWs) bands (ev): 5.8592 5.8592 5.8854 5.8854 8.5065 8.5065 8.7997 8.7997 9.8283 9.8283 14.2945 14.2945 22.0252 22.0252 32.1338 32.1338 33.6864 33.6864 39.5142 39.5142 39.9891 39.9891 k = 0.0000 0.0000 0.4848 ( 559 PWs) bands (ev): 5.8657 5.8657 5.8918 5.8918 8.5098 8.5098 8.7882 8.7882 9.8060 9.8060 14.0686 14.0686 22.3361 22.3361 32.2131 32.2131 33.7673 33.7673 39.4958 39.4958 39.9667 39.9667 k = 0.0000 0.0000 0.4763 ( 559 PWs) bands (ev): 5.8718 5.8718 5.8992 5.8992 8.5133 8.5133 8.7757 8.7757 9.7829 9.7829 13.8458 13.8458 22.6495 22.6495 32.2970 32.2970 33.8538 33.8538 39.4767 39.4767 39.9430 39.9430 k = 0.0000 0.0000 0.4678 ( 559 PWs) bands (ev): 5.8776 5.8776 5.9074 5.9074 8.5170 8.5170 8.7625 8.7625 9.7592 9.7592 13.6264 13.6264 22.9654 22.9654 32.3854 32.3854 33.9457 33.9457 39.4570 39.4570 39.9180 39.9180 k = 0.0000 0.0000 0.4593 ( 559 PWs) bands (ev): 5.8831 5.8831 5.9165 5.9165 8.5211 8.5211 8.7483 8.7483 9.7348 9.7348 13.4104 13.4104 23.2836 23.2836 32.4781 32.4781 34.0432 34.0432 39.4368 39.4368 39.8918 39.8918 k = 0.0000 0.0000 0.4508 ( 559 PWs) bands (ev): 5.8883 5.8883 5.9262 5.9262 8.5254 8.5254 8.7334 8.7334 9.7101 9.7101 13.1978 13.1978 23.6040 23.6040 32.5749 32.5749 34.1460 34.1460 39.4162 39.4162 39.8643 39.8643 k = 0.0000 0.0000 0.4423 ( 559 PWs) bands (ev): 5.8934 5.8934 5.9365 5.9365 8.5299 8.5299 8.7175 8.7175 9.6850 9.6850 12.9886 12.9886 23.9265 23.9265 32.6757 32.6757 34.2543 34.2543 39.3952 39.3952 39.8356 39.8356 k = 0.0000 0.0000 0.4338 ( 559 PWs) bands (ev): 5.8985 5.8985 5.9471 5.9471 8.5347 8.5347 8.7008 8.7008 9.6598 9.6598 12.7831 12.7831 24.2512 24.2512 32.7805 32.7805 34.3677 34.3677 39.3741 39.3741 39.8059 39.8059 k = 0.0000 0.0000 0.4253 ( 559 PWs) bands (ev): 5.9035 5.9035 5.9580 5.9580 8.5398 8.5398 8.6834 8.6834 9.6345 9.6345 12.5811 12.5811 24.5777 24.5777 32.8889 32.8889 34.4864 34.4864 39.3528 39.3528 39.7752 39.7752 k = 0.0000 0.0000 0.4168 ( 549 PWs) bands (ev): 5.9084 5.9084 5.9691 5.9691 8.5451 8.5451 8.6651 8.6651 9.6093 9.6093 12.3828 12.3828 24.9062 24.9062 33.0010 33.0010 34.6101 34.6101 39.3314 39.3314 39.7436 39.7436 k = 0.0000 0.0000 0.4082 ( 549 PWs) bands (ev): 5.9134 5.9134 5.9803 5.9803 8.5506 8.5506 8.6462 8.6462 9.5842 9.5842 12.1882 12.1882 25.2364 25.2364 33.1166 33.1166 34.7388 34.7388 39.3099 39.3099 39.7111 39.7111 k = 0.0000 0.0000 0.3997 ( 551 PWs) bands (ev): 5.9184 5.9184 5.9914 5.9914 8.5561 8.5561 8.6267 8.6267 9.5593 9.5593 11.9973 11.9973 25.5683 25.5683 33.2355 33.2355 34.8723 34.8723 39.2884 39.2884 39.6780 39.6780 k = 0.0000 0.0000 0.3912 ( 559 PWs) bands (ev): 5.9233 5.9233 6.0026 6.0026 8.5612 8.5612 8.6071 8.6071 9.5349 9.5349 11.8102 11.8102 25.9018 25.9018 33.3577 33.3577 35.0103 35.0103 39.2669 39.2669 39.6444 39.6444 k = 0.0000 0.0000 0.3827 ( 563 PWs) bands (ev): 5.9282 5.9282 6.0136 6.0136 8.5637 8.5637 8.5896 8.5896 9.5108 9.5108 11.6270 11.6270 26.2368 26.2368 33.4830 33.4830 35.1528 35.1528 39.2454 39.2454 39.6105 39.6105 k = 0.0000 0.0000 0.3742 ( 563 PWs) bands (ev): 5.9331 5.9331 6.0245 6.0245 8.5546 8.5546 8.5834 8.5834 9.4873 9.4873 11.4478 11.4478 26.5732 26.5732 33.6113 33.6113 35.2995 35.2995 39.2239 39.2239 39.5765 39.5765 k = 0.0000 0.0000 0.3657 ( 563 PWs) bands (ev): 5.9380 5.9380 6.0351 6.0351 8.5351 8.5351 8.5873 8.5873 9.4643 9.4643 11.2724 11.2724 26.9108 26.9108 33.7425 33.7425 35.4501 35.4501 39.2022 39.2022 39.5428 39.5428 k = 0.0000 0.0000 0.3572 ( 563 PWs) bands (ev): 5.9428 5.9428 6.0454 6.0454 8.5130 8.5130 8.5935 8.5935 9.4420 9.4420 11.1012 11.1012 27.2496 27.2496 33.8765 33.8765 35.6044 35.6044 39.1803 39.1803 39.5097 39.5097 k = 0.0000 0.0000 0.3487 ( 563 PWs) bands (ev): 5.9476 5.9476 6.0553 6.0553 8.4899 8.4899 8.6004 8.6004 9.4204 9.4204 10.9340 10.9340 27.5894 27.5894 34.0131 34.0131 35.7620 35.7620 39.1580 39.1580 39.4777 39.4777 k = 0.0000 0.0000 0.3402 ( 563 PWs) bands (ev): 5.9523 5.9523 6.0648 6.0648 8.4663 8.4663 8.6075 8.6075 9.3994 9.3994 10.7711 10.7711 27.9301 27.9301 34.1523 34.1523 35.9226 35.9226 39.1349 39.1349 39.4473 39.4473 k = 0.0000 0.0000 0.3317 ( 563 PWs) bands (ev): 5.9569 5.9569 6.0737 6.0737 8.4423 8.4423 8.6149 8.6149 9.3791 9.3791 10.6124 10.6124 28.2715 28.2715 34.2938 34.2938 36.0858 36.0858 39.1108 39.1108 39.4193 39.4193 k = 0.0000 0.0000 0.3232 ( 563 PWs) bands (ev): 5.9615 5.9615 6.0822 6.0822 8.4181 8.4181 8.6222 8.6222 9.3596 9.3596 10.4581 10.4581 28.6136 28.6136 34.4376 34.4376 36.2509 36.2509 39.0852 39.0852 39.3944 39.3944 k = 0.0000 0.0000 0.3147 ( 559 PWs) bands (ev): 5.9659 5.9659 6.0901 6.0901 8.3938 8.3938 8.6295 8.6295 9.3408 9.3408 10.3084 10.3084 28.9561 28.9561 34.5836 34.5836 36.4176 36.4176 39.0579 39.0579 39.3735 39.3735 k = 0.0000 0.0000 0.3062 ( 559 PWs) bands (ev): 5.9702 5.9702 6.0973 6.0973 8.3695 8.3695 8.6365 8.6365 9.3227 9.3227 10.1634 10.1634 29.2989 29.2989 34.7314 34.7314 36.5850 36.5850 39.0286 39.0286 39.3573 39.3573 k = 0.0000 0.0000 0.2977 ( 559 PWs) bands (ev): 5.9744 5.9744 6.1038 6.1038 8.3452 8.3452 8.6431 8.6431 9.3053 9.3053 10.0234 10.0234 29.6417 29.6417 34.8809 34.8809 36.7524 36.7524 38.9970 38.9970 39.3467 39.3467 k = 0.0000 0.0000 0.2892 ( 567 PWs) bands (ev): 5.9785 5.9785 6.1096 6.1096 8.3210 8.3210 8.6490 8.6490 9.2885 9.2885 9.8886 9.8886 29.9844 29.9844 35.0320 35.0320 36.9188 36.9188 38.9633 38.9633 39.3424 39.3424 k = 0.0000 0.0000 0.2807 ( 567 PWs) bands (ev): 5.9824 5.9824 6.1146 6.1146 8.2970 8.2970 8.6539 8.6539 9.2723 9.2723 9.7595 9.7595 30.3267 30.3267 35.1843 35.1843 37.0830 37.0830 38.9276 38.9276 39.3455 39.3455 k = 0.0000 0.0000 0.2722 ( 567 PWs) bands (ev): 5.9862 5.9862 6.1188 6.1188 8.2732 8.2732 8.6574 8.6574 9.2566 9.2566 9.6367 9.6367 30.6684 30.6684 35.3375 35.3375 37.2436 37.2436 38.8901 38.8901 39.3568 39.3568 k = 0.0000 0.0000 0.2637 ( 567 PWs) bands (ev): 5.9898 5.9898 6.1223 6.1223 8.2496 8.2496 8.6588 8.6588 9.2410 9.2410 9.5211 9.5211 31.0093 31.0093 35.4914 35.4914 37.3988 37.3988 38.8512 38.8512 39.3775 39.3775 k = 0.0000 0.0000 0.2552 ( 571 PWs) bands (ev): 5.9933 5.9933 6.1249 6.1249 8.2262 8.2262 8.6572 8.6572 9.2250 9.2250 9.4144 9.4144 31.3491 31.3491 35.6455 35.6455 37.5467 37.5467 38.8112 38.8112 39.4090 39.4090 k = 0.0000 0.0000 0.2467 ( 571 PWs) bands (ev): 5.9965 5.9965 6.1268 6.1268 8.2029 8.2029 8.6513 8.6513 9.2064 9.2064 9.3201 9.3201 31.6875 31.6875 35.7993 35.7993 37.6850 37.6850 38.7704 38.7704 39.4529 39.4529 k = 0.0000 0.0000 0.2381 ( 571 PWs) bands (ev): 5.9996 5.9996 6.1278 6.1278 8.1798 8.1798 8.6394 8.6394 9.1767 9.1767 9.2486 9.2486 32.0240 32.0240 35.9525 35.9525 37.8115 37.8115 38.7290 38.7290 39.5110 39.5110 k = 0.0000 0.0000 0.2296 ( 571 PWs) bands (ev): 6.0025 6.0025 6.1280 6.1280 8.1565 8.1565 8.6194 8.6194 9.1253 9.1253 9.2125 9.2125 32.3585 32.3585 36.1044 36.1044 37.9241 37.9241 38.6873 38.6873 39.5846 39.5846 k = 0.0000 0.0000 0.2211 ( 571 PWs) bands (ev): 6.0053 6.0053 6.1275 6.1275 8.1329 8.1329 8.5897 8.5897 9.0719 9.0719 9.1942 9.1942 32.6905 32.6905 36.2544 36.2544 38.0213 38.0213 38.6456 38.6456 39.6746 39.6746 k = 0.0000 0.0000 0.2126 ( 573 PWs) bands (ev): 6.0078 6.0078 6.1262 6.1262 8.1086 8.1086 8.5501 8.5501 9.0298 9.0298 9.1808 9.1808 33.0196 33.0196 36.4018 36.4018 38.1027 38.1027 38.6041 38.6041 39.7810 39.7810 k = 0.0000 0.0000 0.2041 ( 573 PWs) bands (ev): 6.0102 6.0102 6.1242 6.1242 8.0832 8.0832 8.5024 8.5024 9.0006 9.0006 9.1694 9.1694 33.3453 33.3453 36.5458 36.5458 38.1684 38.1684 38.5628 38.5628 39.9027 39.9027 k = 0.0000 0.0000 0.1956 ( 569 PWs) bands (ev): 6.0123 6.0123 6.1215 6.1215 8.0561 8.0561 8.4499 8.4499 8.9824 8.9824 9.1591 9.1591 33.6672 33.6672 36.6856 36.6856 38.2197 38.2197 38.5221 38.5221 40.0380 40.0380 k = 0.0000 0.0000 0.1871 ( 569 PWs) bands (ev): 6.0143 6.0143 6.1182 6.1182 8.0264 8.0264 8.3965 8.3965 8.9723 8.9723 9.1496 9.1496 33.9848 33.9848 36.8205 36.8205 38.2582 38.2582 38.4821 38.4821 40.1847 40.1847 k = 0.0000 0.0000 0.1786 ( 569 PWs) bands (ev): 6.0161 6.0161 6.1144 6.1144 7.9936 7.9936 8.3454 8.3454 8.9680 8.9680 9.1408 9.1408 34.2974 34.2974 36.9495 36.9495 38.2857 38.2857 38.4428 38.4428 40.3405 40.3405 k = 0.0000 0.0000 0.1701 ( 569 PWs) bands (ev): 6.0177 6.0177 6.1100 6.1100 7.9570 7.9570 8.2988 8.2988 8.9676 8.9676 9.1326 9.1326 34.6046 34.6046 37.0720 37.0720 38.3040 38.3040 38.4045 38.4045 40.5032 40.5032 k = 0.0000 0.0000 0.1616 ( 569 PWs) bands (ev): 6.0191 6.0191 6.1052 6.1052 7.9166 7.9166 8.2582 8.2582 8.9699 8.9699 9.1250 9.1250 34.9056 34.9056 37.1871 37.1871 38.3148 38.3148 38.3672 38.3672 40.6712 40.6712 k = 0.0000 0.0000 0.1531 ( 569 PWs) bands (ev): 6.0203 6.0203 6.1001 6.1001 7.8728 7.8728 8.2239 8.2239 8.9741 8.9741 9.1178 9.1178 35.1998 35.1998 37.2944 37.2944 38.3194 38.3194 38.3312 38.3312 40.8433 40.8433 k = 0.0000 0.0000 0.1446 ( 573 PWs) bands (ev): 6.0214 6.0214 6.0946 6.0946 7.8266 7.8266 8.1953 8.1953 8.9795 8.9795 9.1112 9.1112 35.4863 35.4863 37.3935 37.3935 38.2964 38.2964 38.3194 38.3194 41.0190 41.0190 k = 0.0000 0.0000 0.1361 ( 573 PWs) bands (ev): 6.0223 6.0223 6.0889 6.0889 7.7793 7.7793 8.1718 8.1718 8.9856 8.9856 9.1050 9.1050 35.7645 35.7645 37.4841 37.4841 38.2630 38.2630 38.3156 38.3156 41.1984 41.1984 k = 0.0000 0.0000 0.1276 ( 573 PWs) bands (ev): 6.0231 6.0231 6.0831 6.0831 7.7319 7.7319 8.1524 8.1524 8.9923 8.9923 9.0992 9.0992 36.0333 36.0333 37.5663 37.5663 38.2312 38.2312 38.3094 38.3094 41.3820 41.3820 k = 0.0000 0.0000 0.1191 ( 573 PWs) bands (ev): 6.0237 6.0237 6.0772 6.0772 7.6854 7.6854 8.1363 8.1363 8.9992 8.9992 9.0939 9.0939 36.2917 36.2917 37.6401 37.6401 38.2010 38.2010 38.3019 38.3019 41.5703 41.5703 k = 0.0000 0.0000 0.1106 ( 571 PWs) bands (ev): 6.0242 6.0242 6.0713 6.0713 7.6406 7.6406 8.1228 8.1228 9.0061 9.0061 9.0890 9.0890 36.5386 36.5386 37.7057 37.7057 38.1724 38.1724 38.2941 38.2941 41.7638 41.7638 k = 0.0000 0.0000 0.1021 ( 571 PWs) bands (ev): 6.0246 6.0246 6.0655 6.0655 7.5979 7.5979 8.1114 8.1114 9.0130 9.0130 9.0845 9.0845 36.7725 36.7725 37.7635 37.7635 38.1457 38.1457 38.2873 38.2873 41.9628 41.9628 k = 0.0000 0.0000 0.0936 ( 571 PWs) bands (ev): 6.0249 6.0249 6.0599 6.0599 7.5580 7.5580 8.1019 8.1019 9.0196 9.0196 9.0804 9.0804 36.9918 36.9918 37.8138 37.8138 38.1207 38.1207 38.2830 38.2830 42.1670 42.1670 k = 0.0000 0.0000 0.0851 ( 571 PWs) bands (ev): 6.0251 6.0251 6.0545 6.0545 7.5209 7.5209 8.0937 8.0937 9.0259 9.0259 9.0766 9.0766 37.1943 37.1943 37.8569 37.8569 38.0977 38.0977 38.2830 38.2830 42.3758 42.3758 k = 0.0000 0.0000 0.0765 ( 567 PWs) bands (ev): 6.0252 6.0252 6.0493 6.0493 7.4870 7.4870 8.0869 8.0869 9.0319 9.0319 9.0733 9.0733 37.3773 37.3773 37.8929 37.8929 38.0767 38.0767 38.2896 38.2896 42.5879 42.5879 k = 0.0000 0.0000 0.0680 ( 567 PWs) bands (ev): 6.0252 6.0252 6.0446 6.0446 7.4564 7.4564 8.0811 8.0811 9.0373 9.0373 9.0703 9.0703 37.5375 37.5375 37.9219 37.9219 38.0578 38.0578 38.3054 38.3054 42.8019 42.8019 k = 0.0000 0.0000 0.0595 ( 563 PWs) bands (ev): 6.0252 6.0252 6.0402 6.0402 7.4293 7.4293 8.0762 8.0762 9.0423 9.0423 9.0677 9.0677 37.6716 37.6716 37.9443 37.9443 38.0409 38.0409 38.3332 38.3332 43.0159 43.0159 k = 0.0000 0.0000 0.0510 ( 559 PWs) bands (ev): 6.0252 6.0252 6.0363 6.0363 7.4056 7.4056 8.0722 8.0722 9.0467 9.0467 9.0655 9.0655 37.7773 37.7773 37.9605 37.9605 38.0262 38.0262 38.3740 38.3740 43.2275 43.2275 k = 0.0000 0.0000 0.0425 ( 559 PWs) bands (ev): 6.0252 6.0252 6.0329 6.0329 7.3855 7.3855 8.0689 8.0689 9.0505 9.0505 9.0636 9.0636 37.8552 37.8552 37.9713 37.9713 38.0137 38.0137 38.4252 38.4252 43.4339 43.4339 k = 0.0000 0.0000 0.0340 ( 555 PWs) bands (ev): 6.0251 6.0251 6.0301 6.0301 7.3691 7.3691 8.0663 8.0663 9.0536 9.0536 9.0620 9.0620 37.9095 37.9095 37.9780 37.9780 38.0034 38.0034 38.4807 38.4807 43.6311 43.6311 k = 0.0000 0.0000 0.0255 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0279 6.0279 7.3562 7.3562 8.0643 8.0643 9.0561 9.0561 9.0608 9.0608 37.9456 37.9456 37.9819 37.9819 37.9954 37.9954 38.5325 38.5325 43.8132 43.8132 k = 0.0000 0.0000 0.0170 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0263 6.0263 7.3470 7.3470 8.0629 8.0629 9.0578 9.0578 9.0599 9.0599 37.9684 37.9684 37.9839 37.9839 37.9896 37.9896 38.5741 38.5741 43.9701 43.9701 k = 0.0000 0.0000 0.0085 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0253 6.0253 7.3415 7.3415 8.0621 8.0621 9.0589 9.0589 9.0594 9.0594 37.9810 37.9810 37.9848 37.9848 37.9862 37.9862 38.6007 38.6007 44.0834 44.0834 k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0250 6.0250 7.3397 7.3397 8.0618 8.0618 9.0593 9.0593 9.0593 9.0593 37.9850 37.9850 37.9850 37.9850 37.9850 37.9850 38.6099 38.6099 44.1264 44.1264 k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 6.0250 6.0250 6.0250 6.0250 7.3397 7.3397 8.0618 8.0618 9.0593 9.0593 9.0593 9.0593 37.9850 37.9850 37.9850 37.9850 37.9850 37.9850 38.6099 38.6099 44.1264 44.1264 k = 0.0028 0.0040 0.0070 ( 555 PWs) bands (ev): 6.0249 6.0249 6.0253 6.0253 7.3415 7.3415 8.0621 8.0621 9.0589 9.0589 9.0594 9.0594 37.9825 37.9825 37.9830 37.9830 37.9865 37.9865 38.6007 38.6007 44.0904 44.0904 k = 0.0057 0.0080 0.0139 ( 555 PWs) bands (ev): 6.0249 6.0249 6.0264 6.0264 7.3471 7.3471 8.0629 8.0629 9.0579 9.0579 9.0599 9.0599 37.9740 37.9740 37.9767 37.9767 37.9909 37.9909 38.5741 38.5741 43.9962 43.9962 k = 0.0085 0.0121 0.0209 ( 555 PWs) bands (ev): 6.0248 6.0248 6.0281 6.0281 7.3563 7.3563 8.0643 8.0643 9.0561 9.0561 9.0607 9.0607 37.9572 37.9572 37.9661 37.9661 37.9982 37.9982 38.5333 38.5333 43.8687 43.8687 k = 0.0114 0.0161 0.0278 ( 555 PWs) bands (ev): 6.0247 6.0247 6.0305 6.0305 7.3692 7.3692 8.0663 8.0663 9.0537 9.0537 9.0619 9.0619 37.9277 37.9277 37.9507 37.9507 38.0085 38.0085 38.4836 38.4836 43.7200 43.7201 k = 0.0142 0.0201 0.0348 ( 561 PWs) bands (ev): 6.0246 6.0246 6.0334 6.0334 7.3857 7.3857 8.0690 8.0690 9.0506 9.0506 9.0634 9.0634 37.8792 37.8792 37.9301 37.9301 38.0217 38.0217 38.4324 38.4324 43.5299 43.5299 k = 0.0170 0.0241 0.0418 ( 567 PWs) bands (ev): 6.0244 6.0244 6.0370 6.0370 7.4059 7.4059 8.0724 8.0724 9.0468 9.0468 9.0653 9.0653 37.8053 37.8053 37.9035 37.9035 38.0378 38.0378 38.3872 38.3872 43.3199 43.3199 k = 0.0199 0.0281 0.0487 ( 567 PWs) bands (ev): 6.0243 6.0243 6.0410 6.0410 7.4296 7.4296 8.0767 8.0767 9.0424 9.0424 9.0676 9.0676 37.7028 37.7028 37.8704 37.8704 38.0568 38.0568 38.3524 38.3524 43.0960 43.0960 k = 0.0227 0.0321 0.0557 ( 567 PWs) bands (ev): 6.0240 6.0240 6.0454 6.0454 7.4567 7.4567 8.0818 8.0818 9.0373 9.0373 9.0703 9.0703 37.5728 37.5728 37.8299 37.8299 38.0788 38.0788 38.3274 38.3274 42.8632 42.8632 k = 0.0256 0.0362 0.0626 ( 567 PWs) bands (ev): 6.0238 6.0238 6.0502 6.0502 7.4872 7.4872 8.0882 8.0882 9.0317 9.0317 9.0734 9.0734 37.4193 37.4193 37.7812 37.7812 38.1038 38.1038 38.3085 38.3085 42.6266 42.6266 k = 0.0284 0.0402 0.0696 ( 567 PWs) bands (ev): 6.0235 6.0235 6.0553 6.0553 7.5209 7.5209 8.0958 8.0958 9.0255 9.0255 9.0770 9.0770 37.2466 37.2466 37.7236 37.7236 38.1316 38.1316 38.2910 38.2910 42.3909 42.3909 k = 0.0312 0.0442 0.0765 ( 567 PWs) bands (ev): 6.0231 6.0231 6.0606 6.0606 7.5574 7.5574 8.1051 8.1051 9.0188 9.0188 9.0811 9.0811 37.0582 37.0582 37.6563 37.6563 38.1624 38.1624 38.2702 38.2702 42.1609 42.1609 k = 0.0341 0.0482 0.0835 ( 567 PWs) bands (ev): 6.0228 6.0228 6.0659 6.0659 7.5964 7.5964 8.1165 8.1165 9.0115 9.0115 9.0858 9.0858 36.8571 36.8571 37.5788 37.5788 38.1961 38.1961 38.2416 38.2416 41.9417 41.9417 k = 0.0369 0.0522 0.0905 ( 567 PWs) bands (ev): 6.0224 6.0224 6.0714 6.0714 7.6374 7.6374 8.1303 8.1303 9.0038 9.0038 9.0911 9.0911 36.6453 36.6453 37.4907 37.4907 38.2005 38.2005 38.2327 38.2327 41.7384 41.7384 k = 0.0398 0.0562 0.0974 ( 567 PWs) bands (ev): 6.0219 6.0219 6.0768 6.0768 7.6797 7.6797 8.1473 8.1473 8.9956 8.9956 9.0971 9.0971 36.4246 36.4246 37.3917 37.3917 38.1423 38.1423 38.2723 38.2723 41.5563 41.5563 k = 0.0426 0.0603 0.1044 ( 567 PWs) bands (ev): 6.0214 6.0214 6.0821 6.0821 7.7225 7.7225 8.1683 8.1683 8.9870 8.9870 9.1040 9.1040 36.1962 36.1962 37.2818 37.2818 38.0629 38.0629 38.3148 38.3148 41.4001 41.4001 k = 0.0455 0.0643 0.1113 ( 561 PWs) bands (ev): 6.0209 6.0209 6.0873 6.0873 7.7646 7.7646 8.1943 8.1943 8.9781 8.9781 9.1118 9.1118 35.9612 35.9612 37.1613 37.1613 37.9590 37.9590 38.3602 38.3602 41.2739 41.2739 k = 0.0483 0.0683 0.1183 ( 561 PWs) bands (ev): 6.0203 6.0203 6.0923 6.0923 7.8049 7.8049 8.2263 8.2263 8.9688 8.9688 9.1208 9.1208 35.7205 35.7205 37.0306 37.0306 37.8285 37.8285 38.4086 38.4086 41.1803 41.1803 k = 0.0511 0.0723 0.1253 ( 561 PWs) bands (ev): 6.0196 6.0196 6.0971 6.0971 7.8424 7.8424 8.2651 8.2651 8.9593 8.9593 9.1311 9.1311 35.4747 35.4747 36.8901 36.8901 37.6714 37.6714 38.4599 38.4599 41.1198 41.1198 k = 0.0540 0.0763 0.1322 ( 561 PWs) bands (ev): 6.0189 6.0189 6.1016 6.1016 7.8762 7.8762 8.3113 8.3113 8.9495 8.9495 9.1430 9.1430 35.2244 35.2244 36.7407 36.7407 37.4892 37.4892 38.5141 38.5141 41.0916 41.0916 k = 0.0568 0.0804 0.1392 ( 561 PWs) bands (ev): 6.0182 6.0182 6.1057 6.1057 7.9061 7.9061 8.3647 8.3647 8.9395 8.9395 9.1571 9.1571 34.9700 34.9700 36.5830 36.5830 37.2846 37.2846 38.5712 38.5712 41.0932 41.0932 k = 0.0597 0.0844 0.1461 ( 561 PWs) bands (ev): 6.0174 6.0174 6.1095 6.1095 7.9322 7.9322 8.4246 8.4246 8.9294 8.9294 9.1737 9.1737 34.7120 34.7120 36.4179 36.4179 37.0613 37.0613 38.6313 38.6313 41.1215 41.1215 k = 0.0625 0.0884 0.1531 ( 561 PWs) bands (ev): 6.0165 6.0165 6.1130 6.1130 7.9550 7.9550 8.4897 8.4897 8.9191 8.9191 9.1938 9.1938 34.4506 34.4506 36.2461 36.2461 36.8227 36.8227 38.6943 38.6943 41.1732 41.1732 k = 0.0653 0.0924 0.1601 ( 564 PWs) bands (ev): 6.0157 6.0157 6.1160 6.1160 7.9752 7.9752 8.5583 8.5583 8.9088 8.9088 9.2184 9.2184 34.1862 34.1862 36.0684 36.0684 36.5723 36.5723 38.7602 38.7602 41.2454 41.2454 k = 0.0682 0.0964 0.1670 ( 564 PWs) bands (ev): 6.0147 6.0147 6.1187 6.1187 7.9933 7.9933 8.6283 8.6283 8.8985 8.8985 9.2490 9.2490 33.9189 33.9189 35.8856 35.8856 36.3130 36.3130 38.8290 38.8290 41.3353 41.3353 k = 0.0710 0.1004 0.1740 ( 564 PWs) bands (ev): 6.0138 6.0138 6.1210 6.1210 8.0099 8.0099 8.6972 8.6972 8.8882 8.8882 9.2874 9.2874 33.6491 33.6491 35.6983 35.6983 36.0473 36.0473 38.9008 38.9008 41.4407 41.4407 k = 0.0739 0.1045 0.1809 ( 564 PWs) bands (ev): 6.0127 6.0127 6.1229 6.1229 8.0253 8.0253 8.7625 8.7625 8.8780 8.8780 9.3358 9.3358 33.3768 33.3768 35.5072 35.5072 35.7773 35.7773 38.9755 38.9755 41.5595 41.5595 k = 0.0767 0.1085 0.1879 ( 570 PWs) bands (ev): 6.0117 6.0117 6.1244 6.1244 8.0399 8.0399 8.8218 8.8218 8.8679 8.8679 9.3962 9.3962 33.1023 33.1023 35.3129 35.3129 35.5048 35.5048 39.0531 39.0531 41.6904 41.6904 k = 0.0795 0.1125 0.1948 ( 570 PWs) bands (ev): 6.0106 6.0106 6.1255 6.1255 8.0539 8.0539 8.8579 8.8579 8.8735 8.8735 9.4697 9.4697 32.8259 32.8259 35.1159 35.1159 35.2309 35.2309 39.1336 39.1336 41.8319 41.8319 k = 0.0824 0.1165 0.2018 ( 570 PWs) bands (ev): 6.0095 6.0095 6.1263 6.1263 8.0676 8.0676 8.8481 8.8481 8.9173 8.9173 9.5566 9.5566 32.5476 32.5476 34.9166 34.9166 34.9570 34.9570 39.2170 39.2170 41.9832 41.9832 k = 0.0852 0.1205 0.2088 ( 564 PWs) bands (ev): 6.0084 6.0084 6.1267 6.1267 8.0810 8.0810 8.8385 8.8385 8.9538 8.9538 9.6559 9.6559 32.2677 32.2677 34.6838 34.6838 34.7155 34.7155 39.3034 39.3034 42.1432 42.1432 k = 0.0881 0.1245 0.2157 ( 558 PWs) bands (ev): 6.0072 6.0072 6.1268 6.1268 8.0942 8.0942 8.8292 8.8292 8.9843 8.9843 9.7663 9.7663 31.9865 31.9865 34.4120 34.4120 34.5130 34.5130 39.3927 39.3927 42.3112 42.3112 k = 0.0909 0.1286 0.2227 ( 558 PWs) bands (ev): 6.0061 6.0061 6.1267 6.1267 8.1073 8.1073 8.8202 8.8202 9.0101 9.0101 9.8863 9.8863 31.7041 31.7041 34.1422 34.1422 34.3094 34.3094 39.4849 39.4849 42.4866 42.4866 k = 0.0938 0.1326 0.2296 ( 558 PWs) bands (ev): 6.0050 6.0050 6.1262 6.1262 8.1203 8.1203 8.8115 8.8115 9.0323 9.0323 10.0145 10.0145 31.4208 31.4208 33.8748 33.8748 34.1049 34.1049 39.5800 39.5800 42.6688 42.6688 k = 0.0966 0.1366 0.2366 ( 558 PWs) bands (ev): 6.0039 6.0039 6.1255 6.1255 8.1332 8.1332 8.8032 8.8032 9.0518 9.0518 10.1500 10.1500 31.1370 31.1370 33.6101 33.6101 33.8999 33.8999 39.6781 39.6781 42.8574 42.8574 k = 0.0994 0.1406 0.2436 ( 558 PWs) bands (ev): 6.0028 6.0028 6.1246 6.1246 8.1461 8.1461 8.7953 8.7953 9.0693 9.0693 10.2919 10.2919 30.8528 30.8528 33.3483 33.3483 33.6945 33.6945 39.7790 39.7790 43.0517 43.0517 k = 0.1023 0.1446 0.2505 ( 558 PWs) bands (ev): 6.0017 6.0017 6.1235 6.1235 8.1588 8.1588 8.7878 8.7878 9.0853 9.0853 10.4397 10.4397 30.5685 30.5685 33.0897 33.0897 33.4890 33.4890 39.8829 39.8829 43.2515 43.2515 k = 0.1051 0.1487 0.2575 ( 555 PWs) bands (ev): 6.0007 6.0007 6.1223 6.1223 8.1715 8.1715 8.7808 8.7808 9.1001 9.1001 10.5929 10.5929 30.2845 30.2845 32.8343 32.8343 33.2836 33.2836 39.9896 39.9896 43.4561 43.4561 k = 0.1080 0.1527 0.2644 ( 555 PWs) bands (ev): 5.9998 5.9998 6.1210 6.1210 8.1841 8.1841 8.7742 8.7742 9.1141 9.1141 10.7510 10.7510 30.0010 30.0010 32.5822 32.5822 33.0784 33.0784 40.0993 40.0993 43.6653 43.6653 k = 0.1108 0.1567 0.2714 ( 555 PWs) bands (ev): 5.9989 5.9989 6.1197 6.1197 8.1965 8.1965 8.7681 8.7681 9.1274 9.1274 10.9139 10.9139 29.7185 29.7185 32.3334 32.3334 32.8736 32.8736 40.2119 40.2119 43.8783 43.8783 k = 0.1136 0.1607 0.2784 ( 561 PWs) bands (ev): 5.9981 5.9981 6.1183 6.1183 8.2087 8.2087 8.7625 8.7625 9.1401 9.1401 11.0813 11.0813 29.4370 29.4370 32.0879 32.0879 32.6692 32.6692 40.3274 40.3274 44.0947 44.0947 k = 0.1165 0.1647 0.2853 ( 561 PWs) bands (ev): 5.9974 5.9974 6.1169 6.1169 8.2206 8.2206 8.7575 8.7575 9.1523 9.1523 11.2529 11.2529 29.1571 29.1571 31.8458 31.8458 32.4655 32.4655 40.4458 40.4458 44.3138 44.3138 k = 0.1193 0.1687 0.2923 ( 567 PWs) bands (ev): 5.9968 5.9968 6.1156 6.1156 8.2322 8.2322 8.7530 8.7530 9.1642 9.1642 11.4285 11.4285 28.8789 28.8789 31.6069 31.6069 32.2625 32.2625 40.5672 40.5672 44.5349 44.5349 k = 0.1222 0.1728 0.2992 ( 567 PWs) bands (ev): 5.9964 5.9964 6.1144 6.1144 8.2435 8.2435 8.7491 8.7491 9.1757 9.1757 11.6081 11.6081 28.6028 28.6028 31.3713 31.3713 32.0603 32.0603 40.6914 40.6914 44.7569 44.7569 k = 0.1250 0.1768 0.3062 ( 567 PWs) bands (ev): 5.9961 5.9961 6.1133 6.1133 8.2544 8.2544 8.7457 8.7457 9.1869 9.1869 11.7915 11.7915 28.3290 28.3290 31.1389 31.1389 31.8590 31.8590 40.8185 40.8185 44.9785 44.9785 k = 0.1278 0.1808 0.3131 ( 567 PWs) bands (ev): 5.9959 5.9959 6.1124 6.1124 8.2648 8.2648 8.7429 8.7429 9.1978 9.1978 11.9785 11.9785 28.0579 28.0579 30.9096 30.9096 31.6587 31.6587 40.9485 40.9485 45.1982 45.1982 k = 0.1307 0.1848 0.3201 ( 567 PWs) bands (ev): 5.9960 5.9960 6.1116 6.1116 8.2748 8.2748 8.7408 8.7408 9.2084 9.2084 12.1690 12.1690 27.7897 27.7897 30.6834 30.6834 31.4594 31.4594 41.0814 41.0814 45.4137 45.4137 k = 0.1335 0.1888 0.3271 ( 564 PWs) bands (ev): 5.9962 5.9962 6.1111 6.1111 8.2841 8.2841 8.7392 8.7392 9.2186 9.2186 12.3629 12.3629 27.5247 27.5247 30.4603 30.4603 31.2612 31.2612 41.2172 41.2172 45.6221 45.6221 k = 0.1364 0.1928 0.3340 ( 552 PWs) bands (ev): 5.9966 5.9966 6.1109 6.1109 8.2929 8.2929 8.7382 8.7382 9.2286 9.2286 12.5601 12.5601 27.2631 27.2631 30.2401 30.2401 31.0642 31.0642 41.3560 41.3560 45.8198 45.8198 k = 0.1392 0.1969 0.3410 ( 552 PWs) bands (ev): 5.9972 5.9972 6.1109 6.1109 8.3010 8.3010 8.7379 8.7379 9.2383 9.2383 12.7605 12.7605 27.0052 27.0052 30.0228 30.0228 30.8683 30.8683 41.4976 41.4976 46.0025 46.0025 k = 0.1420 0.2009 0.3479 ( 553 PWs) bands (ev): 5.9981 5.9981 6.1113 6.1113 8.3083 8.3083 8.7381 8.7381 9.2476 9.2476 12.9639 12.9639 26.7512 26.7512 29.8084 29.8084 30.6737 30.6737 41.6420 41.6420 46.1661 46.1661 k = 0.1449 0.2049 0.3549 ( 553 PWs) bands (ev): 5.9992 5.9992 6.1120 6.1120 8.3149 8.3149 8.7390 8.7390 9.2565 9.2565 13.1702 13.1702 26.5014 26.5014 29.5969 29.5969 30.4804 30.4804 41.7894 41.7894 46.3073 46.3073 k = 0.1477 0.2089 0.3619 ( 553 PWs) bands (ev): 6.0005 6.0005 6.1130 6.1130 8.3207 8.3207 8.7405 8.7405 9.2651 9.2651 13.3792 13.3792 26.2560 26.2560 29.3881 29.3881 30.2885 30.2885 41.9397 41.9397 46.4255 46.4255 k = 0.1506 0.2129 0.3688 ( 559 PWs) bands (ev): 6.0021 6.0021 6.1144 6.1144 8.3257 8.3257 8.7426 8.7426 9.2732 9.2732 13.5910 13.5910 26.0152 26.0152 29.1821 29.1821 30.0979 30.0979 42.0928 42.0928 46.5224 46.5224 k = 0.1534 0.2170 0.3758 ( 559 PWs) bands (ev): 6.0039 6.0039 6.1162 6.1162 8.3298 8.3298 8.7453 8.7453 9.2809 9.2809 13.8053 13.8053 25.7793 25.7793 28.9787 28.9787 29.9087 29.9087 42.2489 42.2489 46.6016 46.6016 k = 0.1562 0.2210 0.3827 ( 559 PWs) bands (ev): 6.0061 6.0061 6.1184 6.1184 8.3329 8.3329 8.7486 8.7486 9.2881 9.2881 14.0221 14.0221 25.5485 25.5485 28.7781 28.7781 29.7210 29.7210 42.4078 42.4078 46.6673 46.6673 k = 0.1591 0.2250 0.3897 ( 559 PWs) bands (ev): 6.0085 6.0085 6.1210 6.1210 8.3351 8.3351 8.7526 8.7526 9.2947 9.2947 14.2410 14.2410 25.3229 25.3229 28.5802 28.5802 29.5347 29.5347 42.5696 42.5696 46.7232 46.7232 k = 0.1619 0.2290 0.3967 ( 559 PWs) bands (ev): 6.0113 6.0113 6.1240 6.1240 8.3363 8.3363 8.7571 8.7571 9.3009 9.3009 14.4622 14.4622 25.1028 25.1028 28.3849 28.3849 29.3500 29.3500 42.7342 42.7342 46.7724 46.7724 k = 0.1648 0.2330 0.4036 ( 559 PWs) bands (ev): 6.0143 6.0143 6.1274 6.1274 8.3365 8.3365 8.7623 8.7623 9.3064 9.3064 14.6852 14.6852 24.8885 24.8885 28.1922 28.1922 29.1668 29.1668 42.9017 42.9017 46.8175 46.8175 k = 0.1676 0.2370 0.4106 ( 559 PWs) bands (ev): 6.0176 6.0176 6.1313 6.1313 8.3357 8.3357 8.7680 8.7680 9.3114 9.3114 14.9100 14.9100 24.6800 24.6800 28.0022 28.0022 28.9851 28.9851 43.0721 43.0721 46.8601 46.8601 k = 0.1705 0.2411 0.4175 ( 559 PWs) bands (ev): 6.0212 6.0212 6.1355 6.1355 8.3339 8.3339 8.7744 8.7744 9.3157 9.3157 15.1365 15.1365 24.4778 24.4778 27.8149 27.8149 28.8051 28.8051 43.2454 43.2454 46.9018 46.9018 k = 0.1733 0.2451 0.4245 ( 559 PWs) bands (ev): 6.0252 6.0252 6.1401 6.1401 8.3310 8.3310 8.7813 8.7813 9.3194 9.3194 15.3642 15.3642 24.2819 24.2819 27.6301 27.6301 28.6267 28.6267 43.4215 43.4215 46.9435 46.9435 k = 0.1761 0.2491 0.4314 ( 559 PWs) bands (ev): 6.0294 6.0294 6.1450 6.1450 8.3271 8.3271 8.7888 8.7888 9.3224 9.3224 15.5932 15.5932 24.0926 24.0926 27.4480 27.4480 28.4499 28.4499 43.6005 43.6005 46.9861 46.9861 k = 0.1790 0.2531 0.4384 ( 556 PWs) bands (ev): 6.0340 6.0340 6.1503 6.1503 8.3222 8.3222 8.7968 8.7968 9.3247 9.3247 15.8229 15.8229 23.9103 23.9103 27.2686 27.2686 28.2749 28.2749 43.7823 43.7823 47.0302 47.0302 k = 0.1818 0.2571 0.4454 ( 556 PWs) bands (ev): 6.0389 6.0389 6.1560 6.1560 8.3163 8.3163 8.8054 8.8054 9.3262 9.3262 16.0533 16.0533 23.7351 23.7351 27.0919 27.0919 28.1015 28.1015 43.9670 43.9670 47.0762 47.0762 k = 0.1847 0.2611 0.4523 ( 556 PWs) bands (ev): 6.0440 6.0440 6.1618 6.1618 8.3094 8.3094 8.8146 8.8146 9.3271 9.3271 16.2838 16.2838 23.5674 23.5674 26.9179 26.9179 27.9299 27.9299 44.1545 44.1545 47.1245 47.1245 k = 0.1875 0.2652 0.4593 ( 562 PWs) bands (ev): 6.0495 6.0495 6.1680 6.1680 8.3015 8.3015 8.8243 8.8243 9.3271 9.3271 16.5142 16.5142 23.4076 23.4076 26.7466 26.7466 27.7601 27.7601 44.3448 44.3448 47.1754 47.1754 k = 0.1903 0.2692 0.4662 ( 553 PWs) bands (ev): 6.0552 6.0552 6.1743 6.1743 8.2927 8.2927 8.8345 8.8345 9.3265 9.3265 16.7439 16.7439 23.2559 23.2559 26.5782 26.5782 27.5921 27.5921 44.5380 44.5380 47.2290 47.2290 k = 0.1932 0.2732 0.4732 ( 553 PWs) bands (ev): 6.0612 6.0612 6.1807 6.1807 8.2831 8.2831 8.8452 8.8452 9.3250 9.3250 16.9724 16.9724 23.1130 23.1130 26.4127 26.4127 27.4260 27.4260 44.7340 44.7340 47.2854 47.2854 k = 0.1960 0.2772 0.4802 ( 553 PWs) bands (ev): 6.0675 6.0675 6.1873 6.1873 8.2727 8.2727 8.8564 8.8564 9.3228 9.3228 17.1990 17.1990 22.9793 22.9793 26.2502 26.2502 27.2617 27.2617 44.9329 44.9329 47.3448 47.3448 k = 0.1989 0.2812 0.4871 ( 553 PWs) bands (ev): 6.0740 6.0740 6.1938 6.1938 8.2615 8.2615 8.8681 8.8681 9.3197 9.3197 17.4231 17.4231 22.8555 22.8555 26.0908 26.0908 27.0994 27.0994 45.1346 45.1346 47.4071 47.4071 k = 0.2017 0.2853 0.4941 ( 553 PWs) bands (ev): 6.0808 6.0808 6.2003 6.2003 8.2498 8.2498 8.8803 8.8803 9.3159 9.3159 17.6436 17.6436 22.7422 22.7422 25.9345 25.9345 26.9390 26.9390 45.3391 45.3391 47.4724 47.4724 k = 0.2045 0.2893 0.5010 ( 553 PWs) bands (ev): 6.0878 6.0878 6.2067 6.2067 8.2375 8.2375 8.8929 8.8929 9.3114 9.3114 17.8596 17.8596 22.6403 22.6403 25.7817 25.7817 26.7806 26.7806 45.5464 45.5464 47.5407 47.5407 k = 0.2074 0.2933 0.5080 ( 547 PWs) bands (ev): 6.0951 6.0951 6.2129 6.2129 8.2247 8.2247 8.9059 8.9059 9.3060 9.3060 18.0697 18.0697 22.5510 22.5510 25.6324 25.6324 26.6243 26.6243 45.7565 45.7565 47.6119 47.6119 k = 0.2102 0.2973 0.5149 ( 547 PWs) bands (ev): 6.1025 6.1025 6.2187 6.2187 8.2117 8.2117 8.9194 8.9194 9.2999 9.2999 18.2724 18.2724 22.4753 22.4753 25.4869 25.4869 26.4700 26.4700 45.9694 45.9694 47.6859 47.6859 k = 0.2131 0.3013 0.5219 ( 547 PWs) bands (ev): 6.1102 6.1102 6.2242 6.2242 8.1985 8.1985 8.9332 8.9332 9.2931 9.2931 18.4661 18.4661 22.4146 22.4146 25.3455 25.3455 26.3179 26.3179 46.1851 46.1851 47.7626 47.7626 k = 0.2159 0.3053 0.5289 ( 541 PWs) bands (ev): 6.1179 6.1179 6.2292 6.2292 8.1853 8.1853 8.9474 8.9474 9.2854 9.2854 18.6487 18.6487 22.3703 22.3703 25.2087 25.2087 26.1679 26.1679 46.4036 46.4036 47.8420 47.8420 k = 0.2188 0.3094 0.5358 ( 541 PWs) bands (ev): 6.1259 6.1259 6.2337 6.2337 8.1722 8.1722 8.9620 8.9620 9.2771 9.2771 18.8183 18.8183 22.3438 22.3438 25.0770 25.0770 26.0202 26.0202 46.6248 46.6248 47.9240 47.9240 k = 0.2216 0.3134 0.5428 ( 541 PWs) bands (ev): 6.1340 6.1340 6.2374 6.2374 8.1594 8.1594 8.9769 8.9769 9.2679 9.2679 18.9728 18.9728 22.3364 22.3364 24.9511 24.9511 25.8747 25.8747 46.8489 46.8489 48.0084 48.0084 k = 0.2244 0.3174 0.5497 ( 541 PWs) bands (ev): 6.1422 6.1422 6.2403 6.2403 8.1471 8.1471 8.9921 8.9921 9.2581 9.2581 19.1104 19.1104 22.3490 22.3490 24.8320 24.8320 25.7316 25.7316 47.0757 47.0757 48.0950 48.0950 k = 0.2273 0.3214 0.5567 ( 541 PWs) bands (ev): 6.1504 6.1504 6.2424 6.2424 8.1354 8.1354 9.0076 9.0076 9.2475 9.2475 19.2295 19.2295 22.3813 22.3813 24.7210 24.7210 25.5909 25.5909 47.3052 47.3052 48.1838 48.1838 k = 0.2301 0.3254 0.5637 ( 544 PWs) bands (ev): 6.1588 6.1588 6.2435 6.2435 8.1245 8.1245 9.0233 9.0233 9.2362 9.2362 19.3295 19.3295 22.4322 22.4322 24.6202 24.6202 25.4525 25.4525 47.5375 47.5375 48.2746 48.2746 k = 0.2330 0.3294 0.5706 ( 544 PWs) bands (ev): 6.1672 6.1672 6.2435 6.2435 8.1145 8.1145 9.0392 9.0392 9.2242 9.2242 19.4106 19.4106 22.4987 22.4987 24.5321 24.5321 25.3167 25.3167 47.7726 47.7726 48.3670 48.3670 k = 0.2358 0.3335 0.5776 ( 544 PWs) bands (ev): 6.1757 6.1757 6.2424 6.2424 8.1057 8.1057 9.0553 9.0553 9.2115 9.2115 19.4736 19.4736 22.5758 22.5758 24.4607 24.4607 25.1834 25.1834 48.0103 48.0103 48.4607 48.4608 k = 0.2386 0.3375 0.5845 ( 544 PWs) bands (ev): 6.1841 6.1841 6.2400 6.2400 8.0983 8.0983 9.0716 9.0716 9.1981 9.1981 19.5204 19.5204 22.6566 22.6566 24.4112 24.4112 25.0527 25.0527 48.2508 48.2508 48.5553 48.5553 k = 0.2415 0.3415 0.5915 ( 544 PWs) bands (ev): 6.1926 6.1926 6.2364 6.2364 8.0922 8.0922 9.0880 9.0880 9.1840 9.1840 19.5529 19.5529 22.7323 22.7323 24.3901 24.3901 24.9247 24.9247 48.4940 48.4940 48.6497 48.6497 k = 0.2443 0.3455 0.5985 ( 544 PWs) bands (ev): 6.2010 6.2010 6.2315 6.2315 8.0878 8.0878 9.1045 9.1045 9.1692 9.1692 19.5735 19.5735 22.7934 22.7934 24.4045 24.4045 24.7995 24.7995 48.7399 48.7399 48.7418 48.7418 k = 0.2472 0.3495 0.6054 ( 544 PWs) bands (ev): 6.2093 6.2093 6.2252 6.2252 8.0851 8.0851 9.1210 9.1210 9.1537 9.1537 19.5843 19.5843 22.8322 22.8322 24.4598 24.4598 24.6770 24.6770 48.8251 48.8251 48.9885 48.9885 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 6.2176 6.2176 6.2176 6.2176 8.0841 8.0841 9.1375 9.1375 9.1375 9.1375 19.5875 19.5875 22.8451 22.8451 24.5575 24.5575 24.5575 24.5575 48.8715 48.8715 49.2398 49.2398 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 6.2176 6.2176 6.2176 6.2176 8.0841 8.0841 9.1375 9.1375 9.1375 9.1375 19.5875 19.5875 22.8451 22.8451 24.5575 24.5575 24.5575 24.5575 48.8715 48.8715 49.2398 49.2398 k = 0.2528 0.3455 0.6124 ( 544 PWs) bands (ev): 6.2087 6.2087 6.2258 6.2258 8.0851 8.0851 9.1207 9.1207 9.1540 9.1540 19.5849 19.5849 22.8333 22.8333 24.4408 24.4408 24.6944 24.6944 48.7787 48.7787 49.0236 49.0236 k = 0.2557 0.3375 0.6124 ( 544 PWs) bands (ev): 6.1986 6.1986 6.2339 6.2339 8.0880 8.0880 9.1032 9.1032 9.1704 9.1704 19.5778 19.5778 22.8012 22.8012 24.3272 24.3272 24.8646 24.8646 48.5509 48.5509 48.7576 48.7576 k = 0.2585 0.3294 0.6124 ( 544 PWs) bands (ev): 6.1872 6.1872 6.2418 6.2418 8.0928 8.0928 9.0850 9.0850 9.1867 9.1867 19.5677 19.5677 22.7539 22.7539 24.2166 24.2166 25.0615 25.0615 48.2871 48.2871 48.4857 48.4857 k = 0.2614 0.3214 0.6124 ( 544 PWs) bands (ev): 6.1748 6.1748 6.2496 6.2496 8.0997 8.0997 9.0661 9.0661 9.2028 9.2028 19.5553 19.5553 22.6961 22.6961 24.1092 24.1092 25.2795 25.2795 48.0138 48.0138 48.2128 48.2128 k = 0.2642 0.3134 0.6124 ( 544 PWs) bands (ev): 6.1613 6.1613 6.2572 6.2572 8.1085 8.1085 9.0466 9.0466 9.2186 9.2186 19.5417 19.5417 22.6315 22.6315 24.0050 24.0050 25.5138 25.5138 47.7375 47.7375 47.9405 47.9405 k = 0.2670 0.3053 0.6124 ( 544 PWs) bands (ev): 6.1470 6.1470 6.2646 6.2646 8.1193 8.1193 9.0264 9.0264 9.2343 9.2343 19.5274 19.5274 22.5627 22.5627 23.9042 23.9042 25.7611 25.7611 47.4603 47.4603 47.6690 47.6690 k = 0.2699 0.2973 0.6124 ( 541 PWs) bands (ev): 6.1319 6.1319 6.2718 6.2718 8.1320 8.1320 9.0056 9.0056 9.2496 9.2496 19.5130 19.5130 22.4916 22.4916 23.8066 23.8066 26.0190 26.0190 47.1831 47.1831 47.3988 47.3988 k = 0.2727 0.2893 0.6124 ( 541 PWs) bands (ev): 6.1162 6.1162 6.2788 6.2788 8.1465 8.1465 8.9841 8.9841 9.2645 9.2645 19.4988 19.4988 22.4196 22.4196 23.7125 23.7125 26.2853 26.2853 46.9065 46.9065 47.1299 47.1299 k = 0.2756 0.2812 0.6124 ( 541 PWs) bands (ev): 6.1001 6.1001 6.2855 6.2855 8.1627 8.1627 8.9620 8.9620 9.2790 9.2790 19.4852 19.4852 22.3478 22.3478 23.6219 23.6219 26.5589 26.5589 46.6307 46.6307 46.8624 46.8624 k = 0.2784 0.2732 0.6124 ( 541 PWs) bands (ev): 6.0837 6.0837 6.2919 6.2919 8.1807 8.1807 8.9393 8.9393 9.2931 9.2931 19.4725 19.4725 22.2769 22.2769 23.5349 23.5349 26.8384 26.8384 46.3560 46.3560 46.5964 46.5964 k = 0.2812 0.2652 0.6124 ( 547 PWs) bands (ev): 6.0671 6.0671 6.2981 6.2981 8.2002 8.2002 8.9160 8.9160 9.3067 9.3067 19.4607 19.4607 22.2074 22.2074 23.4515 23.4515 27.1232 27.1232 46.0825 46.0825 46.3318 46.3318 k = 0.2841 0.2571 0.6124 ( 547 PWs) bands (ev): 6.0506 6.0506 6.3039 6.3039 8.2212 8.2212 8.8921 8.8921 9.3197 9.3197 19.4501 19.4501 22.1398 22.1398 23.3718 23.3718 27.4124 27.4124 45.8103 45.8103 46.0689 46.0689 k = 0.2869 0.2491 0.6124 ( 547 PWs) bands (ev): 6.0342 6.0342 6.3095 6.3095 8.2436 8.2436 8.8677 8.8677 9.3322 9.3322 19.4409 19.4409 22.0744 22.0744 23.2959 23.2959 27.7056 27.7056 45.5395 45.5395 45.8074 45.8074 k = 0.2898 0.2411 0.6124 ( 553 PWs) bands (ev): 6.0182 6.0182 6.3146 6.3146 8.2672 8.2672 8.8428 8.8428 9.3439 9.3439 19.4330 19.4330 22.0116 22.0116 23.2237 23.2237 28.0023 28.0023 45.2701 45.2701 45.5475 45.5475 k = 0.2926 0.2330 0.6124 ( 553 PWs) bands (ev): 6.0027 6.0027 6.3195 6.3195 8.2919 8.2919 8.8174 8.8174 9.3551 9.3551 19.4265 19.4265 21.9514 21.9514 23.1555 23.1555 28.3021 28.3021 45.0023 45.0023 45.2892 45.2892 k = 0.2955 0.2250 0.6124 ( 553 PWs) bands (ev): 5.9879 5.9879 6.3239 6.3239 8.3175 8.3175 8.7917 8.7917 9.3655 9.3655 19.4216 19.4216 21.8941 21.8941 23.0912 23.0912 28.6046 28.6046 44.7360 44.7360 45.0325 45.0325 k = 0.2983 0.2170 0.6124 ( 553 PWs) bands (ev): 5.9738 5.9738 6.3280 6.3280 8.3440 8.3440 8.7657 8.7657 9.3751 9.3751 19.4182 19.4182 21.8398 21.8398 23.0309 23.0309 28.9096 28.9096 44.4714 44.4714 44.7774 44.7774 k = 0.3011 0.2089 0.6124 ( 559 PWs) bands (ev): 5.9606 5.9606 6.3317 6.3317 8.3710 8.3710 8.7396 8.7396 9.3840 9.3840 19.4163 19.4163 21.7886 21.7886 22.9746 22.9746 29.2168 29.2168 44.2084 44.2084 44.5239 44.5239 k = 0.3040 0.2009 0.6124 ( 559 PWs) bands (ev): 5.9484 5.9484 6.3349 6.3349 8.3981 8.3981 8.7136 8.7136 9.3920 9.3920 19.4160 19.4160 21.7407 21.7407 22.9224 22.9224 29.5260 29.5260 43.9471 43.9471 44.2720 44.2720 k = 0.3068 0.1928 0.6124 ( 559 PWs) bands (ev): 5.9373 5.9373 6.3378 6.3378 8.4250 8.4250 8.6883 8.6883 9.3992 9.3992 19.4174 19.4174 21.6961 21.6961 22.8743 22.8743 29.8368 29.8368 43.6875 43.6875 44.0217 44.0217 k = 0.3097 0.1848 0.6124 ( 559 PWs) bands (ev): 5.9275 5.9275 6.3401 6.3401 8.4506 8.4506 8.6646 8.6646 9.4056 9.4056 19.4202 19.4202 21.6549 21.6549 22.8303 22.8303 30.1492 30.1492 43.4298 43.4298 43.7730 43.7730 k = 0.3125 0.1768 0.6124 ( 559 PWs) bands (ev): 5.9189 5.9189 6.3421 6.3421 8.4731 8.4731 8.6443 8.6443 9.4110 9.4110 19.4247 19.4247 21.6171 21.6171 22.7905 22.7905 30.4628 30.4628 43.1738 43.1738 43.5260 43.5260 k = 0.3153 0.1687 0.6124 ( 559 PWs) bands (ev): 5.9118 5.9118 6.3435 6.3435 8.4886 8.4886 8.6312 8.6312 9.4156 9.4156 19.4308 19.4308 21.5827 21.5827 22.7549 22.7549 30.7774 30.7774 42.9197 42.9197 43.2806 43.2806 k = 0.3182 0.1607 0.6124 ( 559 PWs) bands (ev): 5.9060 5.9060 6.3445 6.3445 8.4920 8.4920 8.6304 8.6304 9.4193 9.4193 19.4385 19.4385 21.5519 21.5519 22.7235 22.7235 31.0929 31.0929 42.6675 42.6675 43.0368 43.0368 k = 0.3210 0.1527 0.6124 ( 553 PWs) bands (ev): 5.9017 5.9017 6.3450 6.3450 8.4819 8.4819 8.6433 8.6433 9.4220 9.4220 19.4477 19.4477 21.5246 21.5246 22.6962 22.6962 31.4088 31.4088 42.4172 42.4172 42.7946 42.7946 k = 0.3239 0.1446 0.6124 ( 553 PWs) bands (ev): 5.8989 5.8989 6.3450 6.3450 8.4626 8.4626 8.6656 8.6656 9.4238 9.4238 19.4585 19.4585 21.5008 21.5008 22.6732 22.6732 31.7249 31.7249 42.1689 42.1689 42.5542 42.5542 k = 0.3267 0.1366 0.6124 ( 553 PWs) bands (ev): 5.8976 5.8976 6.3444 6.3444 8.4385 8.4385 8.6931 8.6931 9.4248 9.4248 19.4709 19.4709 21.4805 21.4805 22.6544 22.6544 32.0409 32.0409 41.9227 41.9227 42.3153 42.3153 k = 0.3295 0.1286 0.6124 ( 553 PWs) bands (ev): 5.8978 5.8978 6.3433 6.3433 8.4118 8.4118 8.7232 8.7232 9.4248 9.4248 19.4848 19.4848 21.4638 21.4638 22.6398 22.6398 32.3564 32.3564 41.6785 41.6785 42.0782 42.0782 k = 0.3324 0.1205 0.6124 ( 559 PWs) bands (ev): 5.8995 5.8995 6.3417 6.3417 8.3840 8.3840 8.7549 8.7549 9.4239 9.4239 19.5004 19.5004 21.4506 21.4506 22.6293 22.6293 32.6709 32.6709 41.4365 41.4365 41.8427 41.8427 k = 0.3352 0.1125 0.6124 ( 559 PWs) bands (ev): 5.9027 5.9027 6.3395 6.3395 8.3555 8.3555 8.7875 8.7875 9.4222 9.4222 19.5175 19.5175 21.4409 21.4409 22.6229 22.6229 32.9840 32.9840 41.1968 41.1968 41.6089 41.6089 k = 0.3381 0.1045 0.6124 ( 559 PWs) bands (ev): 5.9074 5.9074 6.3368 6.3368 8.3268 8.3268 8.8208 8.8208 9.4197 9.4197 19.5361 19.5361 21.4347 21.4347 22.6207 22.6207 33.2950 33.2950 40.9595 40.9595 41.3769 41.3769 k = 0.3409 0.0964 0.6124 ( 559 PWs) bands (ev): 5.9135 5.9135 6.3335 6.3335 8.2982 8.2982 8.8544 8.8544 9.4163 9.4163 19.5563 19.5563 21.4320 21.4320 22.6225 22.6225 33.6031 33.6031 40.7246 40.7246 41.1466 41.1466 k = 0.3438 0.0884 0.6124 ( 559 PWs) bands (ev): 5.9209 5.9209 6.3297 6.3297 8.2698 8.2698 8.8883 8.8883 9.4122 9.4122 19.5781 19.5781 21.4326 21.4326 22.6284 22.6284 33.9076 33.9076 40.4924 40.4924 40.9180 40.9180 k = 0.3466 0.0804 0.6124 ( 559 PWs) bands (ev): 5.9295 5.9295 6.3253 6.3253 8.2420 8.2420 8.9224 8.9224 9.4073 9.4073 19.6015 19.6015 21.4367 21.4367 22.6382 22.6382 34.2071 34.2071 40.2629 40.2629 40.6912 40.6912 k = 0.3494 0.0723 0.6124 ( 559 PWs) bands (ev): 5.9393 5.9393 6.3202 6.3202 8.2149 8.2149 8.9566 8.9566 9.4017 9.4017 19.6264 19.6264 21.4441 21.4441 22.6519 22.6519 34.5005 34.5005 40.0366 40.0366 40.4662 40.4662 k = 0.3523 0.0643 0.6124 ( 565 PWs) bands (ev): 5.9501 5.9501 6.3146 6.3146 8.1886 8.1886 8.9908 8.9908 9.3955 9.3955 19.6530 19.6530 21.4548 21.4548 22.6694 22.6694 34.7859 34.7859 39.8135 39.8135 40.2429 40.2429 k = 0.3551 0.0562 0.6124 ( 565 PWs) bands (ev): 5.9618 5.9618 6.3085 6.3085 8.1634 8.1634 9.0249 9.0249 9.3886 9.3886 19.6811 19.6811 21.4687 21.4687 22.6907 22.6907 35.0613 35.0613 39.5943 39.5943 40.0215 40.0215 k = 0.3580 0.0482 0.6124 ( 565 PWs) bands (ev): 5.9742 5.9742 6.3017 6.3017 8.1394 8.1394 9.0590 9.0590 9.3812 9.3812 19.7109 19.7109 21.4858 21.4858 22.7157 22.7157 35.3238 35.3238 39.3793 39.3793 39.8020 39.8020 k = 0.3608 0.0402 0.6124 ( 565 PWs) bands (ev): 5.9872 5.9872 6.2943 6.2943 8.1169 8.1169 9.0930 9.0930 9.3733 9.3733 19.7423 19.7423 21.5060 21.5060 22.7442 22.7442 35.5700 35.5700 39.1693 39.1693 39.5844 39.5844 k = 0.3636 0.0321 0.6124 ( 565 PWs) bands (ev): 6.0006 6.0006 6.2864 6.2864 8.0960 8.0960 9.1269 9.1269 9.3649 9.3649 19.7754 19.7754 21.5293 21.5293 22.7763 22.7763 35.7957 35.7957 38.9652 38.9652 39.3687 39.3687 k = 0.3665 0.0241 0.6124 ( 559 PWs) bands (ev): 6.0142 6.0142 6.2779 6.2779 8.0770 8.0770 9.1606 9.1606 9.3561 9.3561 19.8101 19.8101 21.5555 21.5555 22.8118 22.8118 35.9954 35.9954 38.7680 38.7680 39.1549 39.1549 k = 0.3693 0.0161 0.6124 ( 559 PWs) bands (ev): 6.0277 6.0277 6.2689 6.2689 8.0601 8.0601 9.1941 9.1941 9.3469 9.3469 19.8465 19.8465 21.5846 21.5846 22.8506 22.8506 36.1629 36.1629 38.5790 38.5790 38.9431 38.9431 k = 0.3722 0.0080 0.6124 ( 559 PWs) bands (ev): 6.0410 6.0410 6.2592 6.2592 8.0454 8.0454 9.2274 9.2274 9.3374 9.3374 19.8847 19.8847 21.6165 21.6165 22.8926 22.8926 36.2912 36.2912 38.3993 38.3993 38.7334 38.7334 k = 0.3750-0.0000 0.6124 ( 559 PWs) bands (ev): 6.0538 6.0538 6.2491 6.2491 8.0333 8.0333 9.2605 9.2605 9.3277 9.3277 19.9245 19.9245 21.6512 21.6512 22.9377 22.9377 36.3736 36.3736 38.2295 38.2295 38.5256 38.5256 k = 0.3778-0.0080 0.6124 ( 559 PWs) bands (ev): 6.0658 6.0658 6.2384 6.2384 8.0239 8.0239 9.2934 9.2934 9.3178 9.3178 19.9662 19.9662 21.6885 21.6885 22.9858 22.9858 36.4050 36.4050 38.0687 38.0687 38.3200 38.3200 k = 0.3807-0.0161 0.6124 ( 559 PWs) bands (ev): 6.0770 6.0770 6.2272 6.2272 8.0174 8.0174 9.3077 9.3077 9.3259 9.3259 20.0096 20.0096 21.7284 21.7284 23.0367 23.0367 36.3842 36.3842 37.9138 37.9138 38.1165 38.1165 k = 0.3835-0.0241 0.6124 ( 559 PWs) bands (ev): 6.0870 6.0870 6.2155 6.2155 8.0140 8.0140 9.2976 9.2976 9.3583 9.3583 20.0549 20.0549 21.7708 21.7708 23.0904 23.0904 36.3140 36.3140 37.7598 37.7598 37.9152 37.9152 k = 0.3864-0.0321 0.6124 ( 559 PWs) bands (ev): 6.0957 6.0957 6.2033 6.2033 8.0139 8.0139 9.2873 9.2873 9.3903 9.3903 20.1020 20.1020 21.8156 21.8156 23.1467 23.1467 36.2009 36.2009 37.6011 37.6011 37.7161 37.7161 k = 0.3892-0.0402 0.6124 ( 559 PWs) bands (ev): 6.1029 6.1029 6.1907 6.1907 8.0171 8.0171 9.2771 9.2771 9.4221 9.4221 20.1510 20.1510 21.8627 21.8627 23.2054 23.2054 36.0524 36.0524 37.4337 37.4337 37.5193 37.5193 k = 0.3920-0.0482 0.6124 ( 559 PWs) bands (ev): 6.1084 6.1084 6.1776 6.1776 8.0237 8.0237 9.2669 9.2669 9.4535 9.4535 20.2018 20.2018 21.9120 21.9120 23.2665 23.2665 35.8755 35.8755 37.2564 37.2564 37.3248 37.3248 k = 0.3949-0.0562 0.6124 ( 559 PWs) bands (ev): 6.1121 6.1121 6.1642 6.1642 8.0338 8.0338 9.2568 9.2568 9.4847 9.4847 20.2547 20.2547 21.9635 21.9635 23.3299 23.3299 35.6757 35.6757 37.0700 37.0700 37.1327 37.1327 k = 0.3977-0.0643 0.6124 ( 559 PWs) bands (ev): 6.1140 6.1140 6.1504 6.1504 8.0475 8.0475 9.2468 9.2468 9.5156 9.5156 20.3095 20.3095 22.0170 22.0170 23.3953 23.3953 35.4569 35.4569 36.8769 36.8769 36.9431 36.9431 k = 0.4006-0.0723 0.6124 ( 553 PWs) bands (ev): 6.1140 6.1140 6.1363 6.1363 8.0645 8.0645 9.2370 9.2370 9.5461 9.5461 20.3663 20.3663 22.0725 22.0725 23.4626 23.4626 35.2222 35.2222 36.6799 36.6799 36.7560 36.7560 k = 0.4034-0.0804 0.6124 ( 553 PWs) bands (ev): 6.1121 6.1121 6.1219 6.1219 8.0849 8.0849 9.2274 9.2274 9.5763 9.5763 20.4251 20.4251 22.1299 22.1299 23.5317 23.5317 34.9738 34.9738 36.4818 36.4818 36.5715 36.5715 k = 0.4062-0.0884 0.6124 ( 553 PWs) bands (ev): 6.1072 6.1072 6.1084 6.1084 8.1086 8.1086 9.2179 9.2179 9.6062 9.6062 20.4859 20.4859 22.1892 22.1892 23.6025 23.6025 34.7135 34.7135 36.2847 36.2847 36.3896 36.3896 k = 0.4091-0.0964 0.6124 ( 559 PWs) bands (ev): 6.0923 6.0923 6.1029 6.1029 8.1352 8.1352 9.2087 9.2087 9.6357 9.6357 20.5487 20.5487 22.2501 22.2501 23.6747 23.6747 34.4431 34.4431 36.0904 36.0904 36.2104 36.2104 k = 0.4119-0.1045 0.6124 ( 559 PWs) bands (ev): 6.0773 6.0773 6.0958 6.0958 8.1647 8.1647 9.1997 9.1997 9.6650 9.6650 20.6137 20.6137 22.3128 22.3128 23.7482 23.7482 34.1639 34.1639 35.9001 35.9001 36.0341 36.0341 k = 0.4148-0.1125 0.6124 ( 559 PWs) bands (ev): 6.0621 6.0621 6.0871 6.0871 8.1967 8.1967 9.1911 9.1911 9.6938 9.6938 20.6806 20.6806 22.3771 22.3771 23.8229 23.8229 33.8777 33.8777 35.7146 35.7146 35.8606 35.8606 k = 0.4176-0.1205 0.6124 ( 559 PWs) bands (ev): 6.0468 6.0468 6.0770 6.0770 8.2311 8.2311 9.1827 9.1827 9.7224 9.7224 20.7496 20.7496 22.4430 22.4430 23.8985 23.8985 33.5856 33.5856 35.5342 35.5342 35.6902 35.6902 k = 0.4205-0.1286 0.6124 ( 547 PWs) bands (ev): 6.0315 6.0315 6.0656 6.0656 8.2675 8.2675 9.1747 9.1747 9.7505 9.7505 20.8206 20.8206 22.5104 22.5104 23.9750 23.9750 33.2890 33.2890 35.3591 35.3591 35.5229 35.5229 k = 0.4233-0.1366 0.6124 ( 547 PWs) bands (ev): 6.0162 6.0162 6.0531 6.0531 8.3056 8.3056 9.1669 9.1669 9.7784 9.7784 20.8936 20.8936 22.5794 22.5794 24.0521 24.0521 32.9891 32.9891 35.1896 35.1896 35.3589 35.3589 k = 0.4261-0.1446 0.6124 ( 547 PWs) bands (ev): 6.0009 6.0009 6.0397 6.0397 8.3451 8.3451 9.1595 9.1595 9.8058 9.8058 20.9684 20.9684 22.6499 22.6499 24.1296 24.1296 32.6869 32.6869 35.0255 35.0255 35.1981 35.1981 k = 0.4290-0.1527 0.6124 ( 547 PWs) bands (ev): 5.9857 5.9857 6.0256 6.0256 8.3858 8.3858 9.1524 9.1524 9.8329 9.8329 21.0451 21.0451 22.7220 22.7220 24.2074 24.2074 32.3833 32.3833 34.8668 34.8668 35.0408 35.0408 k = 0.4318-0.1607 0.6124 ( 547 PWs) bands (ev): 5.9707 5.9707 6.0108 6.0108 8.4272 8.4272 9.1457 9.1457 9.8596 9.8596 21.1234 21.1234 22.7957 22.7957 24.2852 24.2852 32.0792 32.0792 34.7136 34.7136 34.8871 34.8871 k = 0.4347-0.1687 0.6124 ( 547 PWs) bands (ev): 5.9558 5.9558 5.9955 5.9955 8.4692 8.4692 9.1393 9.1393 9.8858 9.8858 21.2034 21.2034 22.8710 22.8710 24.3628 24.3628 31.7753 31.7753 34.5659 34.5659 34.7372 34.7372 k = 0.4375-0.1768 0.6124 ( 547 PWs) bands (ev): 5.9412 5.9412 5.9799 5.9799 8.5114 8.5114 9.1332 9.1332 9.9116 9.9116 21.2846 21.2846 22.9482 22.9482 24.4400 24.4400 31.4721 31.4721 34.4235 34.4235 34.5912 34.5912 k = 0.4403-0.1848 0.6124 ( 547 PWs) bands (ev): 5.9269 5.9269 5.9642 5.9642 8.5535 8.5535 9.1275 9.1275 9.9370 9.9370 21.3671 21.3671 23.0272 23.0272 24.5167 24.5167 31.1704 31.1704 34.2865 34.2865 34.4492 34.4492 k = 0.4432-0.1928 0.6124 ( 547 PWs) bands (ev): 5.9129 5.9129 5.9484 5.9484 8.5953 8.5953 9.1221 9.1221 9.9619 9.9619 21.4504 21.4504 23.1084 23.1084 24.5925 24.5925 30.8705 30.8705 34.1550 34.1550 34.3115 34.3115 k = 0.4460-0.2009 0.6124 ( 547 PWs) bands (ev): 5.8993 5.8993 5.9327 5.9327 8.6364 8.6364 9.1171 9.1171 9.9862 9.9862 21.5343 21.5343 23.1918 23.1918 24.6672 24.6672 30.5730 30.5730 34.0290 34.0290 34.1783 34.1783 k = 0.4489-0.2089 0.6124 ( 547 PWs) bands (ev): 5.8860 5.8860 5.9172 5.9172 8.6768 8.6768 9.1124 9.1124 10.0100 10.0100 21.6183 21.6183 23.2779 23.2779 24.7406 24.7406 30.2782 30.2782 33.9086 33.9086 34.0496 34.0496 k = 0.4517-0.2170 0.6124 ( 547 PWs) bands (ev): 5.8733 5.8733 5.9020 5.9020 8.7160 8.7160 9.1079 9.1079 10.0331 10.0331 21.7022 21.7022 23.3669 23.3669 24.8124 24.8124 29.9865 29.9865 33.7937 33.7937 33.9259 33.9259 k = 0.4545-0.2250 0.6124 ( 547 PWs) bands (ev): 5.8610 5.8610 5.8872 5.8872 8.7539 8.7539 9.1039 9.1039 10.0556 10.0556 21.7853 21.7853 23.4592 23.4592 24.8824 24.8824 29.6982 29.6982 33.6846 33.6846 33.8072 33.8072 k = 0.4574-0.2330 0.6124 ( 547 PWs) bands (ev): 5.8493 5.8493 5.8729 5.8729 8.7903 8.7903 9.1001 9.1001 10.0773 10.0773 21.8671 21.8671 23.5552 23.5552 24.9501 24.9501 29.4137 29.4137 33.5813 33.5813 33.6938 33.6938 k = 0.4602-0.2411 0.6124 ( 547 PWs) bands (ev): 5.8381 5.8381 5.8592 5.8592 8.8251 8.8251 9.0966 9.0966 10.0982 10.0982 21.9471 21.9471 23.6554 23.6554 25.0155 25.0155 29.1333 29.1333 33.4839 33.4839 33.5860 33.5860 k = 0.4631-0.2491 0.6124 ( 559 PWs) bands (ev): 5.8276 5.8276 5.8461 5.8461 8.8580 8.8580 9.0934 9.0934 10.1182 10.1182 22.0247 22.0247 23.7602 23.7602 25.0781 25.0781 28.8572 28.8572 33.3925 33.3925 33.4839 33.4839 k = 0.4659-0.2571 0.6124 ( 556 PWs) bands (ev): 5.8176 5.8176 5.8337 5.8337 8.8890 8.8890 9.0904 9.0904 10.1372 10.1372 22.0991 22.0991 23.8701 23.8701 25.1378 25.1378 28.5857 28.5857 33.3073 33.3073 33.3880 33.3880 k = 0.4688-0.2652 0.6124 ( 556 PWs) bands (ev): 5.8084 5.8084 5.8222 5.8222 8.9178 8.9178 9.0878 9.0878 10.1552 10.1552 22.1699 22.1699 23.9856 23.9856 25.1941 25.1941 28.3191 28.3191 33.2283 33.2283 33.2984 33.2984 k = 0.4716-0.2732 0.6124 ( 556 PWs) bands (ev): 5.7999 5.7999 5.8114 5.8114 8.9444 8.9444 9.0854 9.0854 10.1720 10.1720 22.2363 22.2363 24.1070 24.1070 25.2467 25.2467 28.0577 28.0577 33.1557 33.1557 33.2154 33.2154 k = 0.4744-0.2812 0.6124 ( 556 PWs) bands (ev): 5.7921 5.7921 5.8015 5.8015 8.9687 8.9687 9.0832 9.0832 10.1876 10.1876 22.2980 22.2980 24.2348 24.2348 25.2955 25.2955 27.8017 27.8017 33.0896 33.0896 33.1394 33.1394 k = 0.4773-0.2893 0.6124 ( 565 PWs) bands (ev): 5.7850 5.7850 5.7926 5.7926 8.9906 8.9906 9.0813 9.0813 10.2018 10.2018 22.3542 22.3542 24.3690 24.3690 25.3400 25.3400 27.5513 27.5513 33.0301 33.0301 33.0704 33.0704 k = 0.4801-0.2973 0.6124 ( 565 PWs) bands (ev): 5.7788 5.7788 5.7846 5.7846 9.0101 9.0101 9.0797 9.0797 10.2146 10.2146 22.4047 22.4047 24.5100 24.5100 25.3801 25.3801 27.3071 27.3071 32.9773 32.9773 33.0089 33.0089 k = 0.4830-0.3053 0.6124 ( 565 PWs) bands (ev): 5.7733 5.7733 5.7776 5.7776 9.0270 9.0270 9.0783 9.0783 10.2259 10.2259 22.4490 22.4490 24.6576 24.6576 25.4154 25.4154 27.0693 27.0693 32.9313 32.9313 32.9550 32.9550 k = 0.4858-0.3134 0.6124 ( 571 PWs) bands (ev): 5.7686 5.7686 5.7716 5.7716 9.0415 9.0415 9.0771 9.0771 10.2356 10.2356 22.4869 22.4869 24.8116 24.8116 25.4457 25.4457 26.8386 26.8386 32.8922 32.8922 32.9089 32.9089 k = 0.4886-0.3214 0.6124 ( 583 PWs) bands (ev): 5.7648 5.7648 5.7667 5.7667 9.0533 9.0533 9.0761 9.0761 10.2436 10.2436 22.5182 22.5182 24.9712 24.9712 25.4709 25.4709 26.6160 26.6160 32.8601 32.8601 32.8710 32.8710 k = 0.4915-0.3294 0.6124 ( 586 PWs) bands (ev): 5.7618 5.7618 5.7629 5.7629 9.0625 9.0625 9.0753 9.0753 10.2499 10.2499 22.5427 22.5427 25.1346 25.1346 25.4906 25.4906 26.4034 26.4034 32.8351 32.8351 32.8413 32.8413 k = 0.4943-0.3375 0.6124 ( 586 PWs) bands (ev): 5.7596 5.7596 5.7601 5.7601 9.0691 9.0691 9.0748 9.0748 10.2544 10.2544 22.5602 22.5602 25.2973 25.2973 25.5048 25.5048 26.2055 26.2055 32.8172 32.8172 32.8200 32.8200 k = 0.4972-0.3455 0.6124 ( 586 PWs) bands (ev): 5.7583 5.7583 5.7584 5.7584 9.0731 9.0731 9.0745 9.0745 10.2572 10.2572 22.5708 22.5708 25.4438 25.4438 25.5134 25.5134 26.0379 26.0379 32.8064 32.8064 32.8071 32.8071 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 5.7579 5.7579 5.7579 5.7579 9.0744 9.0744 9.0744 9.0744 10.2581 10.2581 22.5743 22.5743 25.5163 25.5163 25.5163 25.5163 25.9583 25.9583 32.8029 32.8029 32.8029 32.8029 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 6.2176 6.2176 6.2176 6.2176 8.0841 8.0841 9.1375 9.1375 9.1375 9.1375 19.5875 19.5875 22.8451 22.8451 24.5575 24.5575 24.5575 24.5575 48.8715 48.8715 49.2398 49.2398 k = 0.2451 0.3466 0.6124 ( 544 PWs) bands (ev): 6.2091 6.2091 6.2255 6.2255 8.0851 8.0851 9.1209 9.1209 9.1538 9.1538 19.5846 19.5846 22.8327 22.8327 24.4510 24.4510 24.6850 24.6850 48.7968 48.7968 49.0056 49.0056 k = 0.2402 0.3397 0.6124 ( 544 PWs) bands (ev): 6.1999 6.1999 6.2326 6.2326 8.0879 8.0879 9.1039 9.1039 9.1697 9.1697 19.5760 19.5760 22.7956 22.7956 24.3697 24.3697 24.8294 24.8294 48.5789 48.5789 48.8267 48.8267 k = 0.2353 0.3328 0.6124 ( 544 PWs) bands (ev): 6.1902 6.1902 6.2388 6.2388 8.0925 8.0925 9.0866 9.0866 9.1852 9.1852 19.5619 19.5619 22.7339 22.7339 24.3165 24.3165 24.9871 24.9871 48.3024 48.3024 48.6757 48.6757 k = 0.2304 0.3258 0.6124 ( 544 PWs) bands (ev): 6.1800 6.1800 6.2442 6.2442 8.0990 8.0990 9.0690 9.0690 9.2004 9.2004 19.5425 19.5425 22.6493 22.6493 24.2926 24.2926 25.1551 25.1551 48.0159 48.0159 48.5254 48.5254 k = 0.2255 0.3189 0.6124 ( 544 PWs) bands (ev): 6.1694 6.1694 6.2486 6.2486 8.1074 8.1074 9.0511 9.0511 9.2153 9.2153 19.5184 19.5184 22.5444 22.5444 24.2972 24.2972 25.3313 25.3313 47.7295 47.7295 48.3743 48.3743 k = 0.2206 0.3120 0.6124 ( 544 PWs) bands (ev): 6.1584 6.1584 6.2519 6.2519 8.1175 8.1175 9.0330 9.0330 9.2298 9.2298 19.4901 19.4901 22.4226 22.4226 24.3277 24.3277 25.5138 25.5138 47.4458 47.4458 48.2235 48.2235 k = 0.2157 0.3050 0.6124 ( 544 PWs) bands (ev): 6.1472 6.1472 6.2542 6.2542 8.1293 8.1293 9.0146 9.0146 9.2440 9.2440 19.4580 19.4580 22.2877 22.2877 24.3812 24.3812 25.7014 25.7014 47.1659 47.1659 48.0738 48.0738 k = 0.2108 0.2981 0.6124 ( 544 PWs) bands (ev): 6.1358 6.1358 6.2554 6.2554 8.1429 8.1429 8.9960 8.9960 9.2579 9.2579 19.4228 19.4228 22.1430 22.1430 24.4547 24.4547 25.8930 25.8930 46.8901 46.8901 47.9258 47.9258 k = 0.2059 0.2912 0.6124 ( 540 PWs) bands (ev): 6.1242 6.1242 6.2555 6.2555 8.1582 8.1582 8.9773 8.9773 9.2716 9.2716 19.3850 19.3850 21.9912 21.9912 24.5455 24.5455 26.0880 26.0880 46.6186 46.6186 47.7798 47.7798 k = 0.2010 0.2842 0.6124 ( 540 PWs) bands (ev): 6.1125 6.1125 6.2544 6.2544 8.1750 8.1750 8.9585 8.9585 9.2851 9.2851 19.3452 19.3452 21.8344 21.8344 24.6515 24.6515 26.2857 26.2857 46.3517 46.3517 47.6358 47.6358 k = 0.1961 0.2773 0.6124 ( 542 PWs) bands (ev): 6.1008 6.1008 6.2521 6.2521 8.1934 8.1934 8.9396 8.9396 9.2984 9.2984 19.3039 19.3039 21.6742 21.6742 24.7707 24.7707 26.4856 26.4856 46.0894 46.0894 47.4940 47.4940 k = 0.1912 0.2704 0.6124 ( 542 PWs) bands (ev): 6.0890 6.0890 6.2486 6.2486 8.2132 8.2132 8.9206 8.9206 9.3116 9.3116 19.2615 19.2615 21.5120 21.5120 24.9017 24.9017 26.6873 26.6873 45.8318 45.8318 47.3543 47.3543 k = 0.1863 0.2634 0.6124 ( 548 PWs) bands (ev): 6.0773 6.0773 6.2439 6.2439 8.2343 8.2343 8.9017 8.9017 9.3247 9.3247 19.2185 19.2185 21.3486 21.3486 25.0432 25.0432 26.8906 26.8906 45.5788 45.5788 47.2166 47.2166 k = 0.1814 0.2565 0.6124 ( 548 PWs) bands (ev): 6.0657 6.0657 6.2380 6.2380 8.2567 8.2567 8.8828 8.8828 9.3379 9.3379 19.1753 19.1753 21.1849 21.1849 25.1943 25.1943 27.0951 27.0951 45.3307 45.3307 47.0805 47.0805 k = 0.1765 0.2496 0.6124 ( 552 PWs) bands (ev): 6.0543 6.0543 6.2310 6.2310 8.2803 8.2803 8.8641 8.8641 9.3511 9.3511 19.1322 19.1322 21.0213 21.0213 25.3539 25.3539 27.3005 27.3005 45.0873 45.0873 46.9458 46.9458 k = 0.1716 0.2426 0.6124 ( 552 PWs) bands (ev): 6.0430 6.0430 6.2229 6.2229 8.3048 8.3048 8.8455 8.8455 9.3644 9.3644 19.0895 19.0895 20.8584 20.8584 25.5214 25.5214 27.5067 27.5067 44.8487 44.8487 46.8118 46.8118 k = 0.1667 0.2357 0.6124 ( 552 PWs) bands (ev): 6.0318 6.0318 6.2137 6.2137 8.3302 8.3302 8.8271 8.8271 9.3780 9.3780 19.0474 19.0474 20.6965 20.6965 25.6960 25.6960 27.7134 27.7134 44.6149 44.6149 46.6774 46.6774 k = 0.1618 0.2288 0.6124 ( 552 PWs) bands (ev): 6.0209 6.0209 6.2035 6.2035 8.3564 8.3564 8.8090 8.8090 9.3918 9.3918 19.0061 19.0061 20.5360 20.5360 25.8772 25.8772 27.9204 27.9204 44.3860 44.3860 46.5412 46.5412 k = 0.1569 0.2218 0.6124 ( 552 PWs) bands (ev): 6.0103 6.0103 6.1922 6.1922 8.3831 8.3831 8.7911 8.7911 9.4060 9.4060 18.9659 18.9659 20.3771 20.3771 26.0644 26.0644 28.1275 28.1275 44.1618 44.1618 46.4006 46.4006 k = 0.1520 0.2149 0.6124 ( 556 PWs) bands (ev): 5.9999 5.9999 6.1801 6.1801 8.4102 8.4102 8.7736 8.7736 9.4207 9.4207 18.9268 18.9268 20.2202 20.2202 26.2570 26.2570 28.3346 28.3346 43.9426 43.9426 46.2519 46.2519 k = 0.1471 0.2080 0.6124 ( 556 PWs) bands (ev): 5.9897 5.9897 6.1672 6.1672 8.4375 8.4375 8.7565 8.7565 9.4359 9.4359 18.8890 18.8890 20.0654 20.0654 26.4546 26.4546 28.5414 28.5414 43.7282 43.7282 46.0901 46.0901 k = 0.1422 0.2010 0.6124 ( 556 PWs) bands (ev): 5.9799 5.9799 6.1534 6.1534 8.4649 8.4649 8.7399 8.7399 9.4517 9.4517 18.8526 18.8526 19.9129 19.9129 26.6567 26.6567 28.7478 28.7478 43.5186 43.5186 45.9101 45.9101 k = 0.1373 0.1941 0.6124 ( 556 PWs) bands (ev): 5.9704 5.9704 6.1390 6.1390 8.4921 8.4921 8.7237 8.7237 9.4682 9.4682 18.8176 18.8176 19.7630 19.7630 26.8628 26.8628 28.9536 28.9536 43.3139 43.3139 45.7089 45.7089 k = 0.1324 0.1872 0.6124 ( 556 PWs) bands (ev): 5.9611 5.9611 6.1241 6.1241 8.5189 8.5189 8.7081 8.7081 9.4855 9.4855 18.7840 18.7840 19.6159 19.6159 27.0725 27.0725 29.1585 29.1585 43.1141 43.1141 45.4874 45.4874 k = 0.1275 0.1802 0.6124 ( 552 PWs) bands (ev): 5.9522 5.9522 6.1086 6.1086 8.5450 8.5450 8.6933 8.6933 9.5036 9.5036 18.7519 18.7519 19.4716 19.4716 27.2854 27.2854 29.3625 29.3625 42.9193 42.9193 45.2492 45.2492 k = 0.1225 0.1733 0.6124 ( 552 PWs) bands (ev): 5.9436 5.9436 6.0927 6.0927 8.5700 8.5700 8.6795 8.6795 9.5225 9.5225 18.7214 18.7214 19.3305 19.3305 27.5011 27.5011 29.5652 29.5652 42.7293 42.7293 44.9985 44.9985 k = 0.1176 0.1664 0.6124 ( 556 PWs) bands (ev): 5.9354 5.9354 6.0765 6.0765 8.5930 8.5930 8.6675 8.6675 9.5424 9.5424 18.6923 18.6923 19.1926 19.1926 27.7189 27.7189 29.7665 29.7665 42.5442 42.5442 44.7387 44.7387 k = 0.1127 0.1594 0.6124 ( 560 PWs) bands (ev): 5.9274 5.9274 6.0601 6.0601 8.6110 8.6110 8.6601 8.6601 9.5632 9.5632 18.6648 18.6648 19.0583 19.0583 27.9385 27.9385 29.9661 29.9661 42.3641 42.3641 44.4726 44.4726 k = 0.1078 0.1525 0.6124 ( 560 PWs) bands (ev): 5.9198 5.9198 6.0436 6.0436 8.6172 8.6172 8.6641 8.6641 9.5848 9.5848 18.6387 18.6387 18.9276 18.9276 28.1593 28.1593 30.1639 30.1639 42.1891 42.1891 44.2023 44.2023 k = 0.1029 0.1456 0.6124 ( 556 PWs) bands (ev): 5.9125 5.9125 6.0271 6.0271 8.6116 8.6116 8.6793 8.6793 9.6074 9.6074 18.6140 18.6140 18.8009 18.8009 28.3808 28.3808 30.3596 30.3596 42.0190 42.0190 43.9294 43.9294 k = 0.0980 0.1386 0.6124 ( 556 PWs) bands (ev): 5.9056 5.9056 6.0107 6.0107 8.6021 8.6021 8.6979 8.6979 9.6308 9.6308 18.5900 18.5900 18.6788 18.6788 28.6023 28.6023 30.5528 30.5528 41.8540 41.8540 43.6551 43.6551 k = 0.0931 0.1317 0.6124 ( 560 PWs) bands (ev): 5.8988 5.8988 5.9945 5.9945 8.5917 8.5917 8.7166 8.7166 9.6548 9.6548 18.5502 18.5502 18.5783 18.5783 28.8234 28.8234 30.7434 30.7434 41.6941 41.6941 43.3807 43.3807 k = 0.0882 0.1248 0.6124 ( 560 PWs) bands (ev): 5.8924 5.8924 5.9786 5.9786 8.5813 8.5813 8.7346 8.7346 9.6795 9.6795 18.4422 18.4422 18.5516 18.5516 29.0432 29.0432 30.9311 30.9311 41.5395 41.5395 43.1074 43.1074 k = 0.0833 0.1179 0.6124 ( 560 PWs) bands (ev): 5.8862 5.8862 5.9632 5.9632 8.5712 8.5712 8.7516 8.7516 9.7046 9.7046 18.3330 18.3330 18.5322 18.5322 29.2609 29.2609 31.1155 31.1155 41.3901 41.3901 42.8362 42.8362 k = 0.0784 0.1109 0.6124 ( 560 PWs) bands (ev): 5.8803 5.8803 5.9483 5.9483 8.5616 8.5616 8.7674 8.7674 9.7300 9.7300 18.2282 18.2282 18.5145 18.5145 29.4758 29.4758 31.2964 31.2964 41.2461 41.2461 42.5683 42.5683 k = 0.0735 0.1040 0.6124 ( 560 PWs) bands (ev): 5.8744 5.8744 5.9341 5.9341 8.5524 8.5524 8.7820 8.7820 9.7554 9.7554 18.1282 18.1282 18.4982 18.4982 29.6870 29.6870 31.4733 31.4733 41.1074 41.1074 42.3048 42.3048 k = 0.0686 0.0971 0.6124 ( 560 PWs) bands (ev): 5.8687 5.8687 5.9207 5.9207 8.5439 8.5439 8.7954 8.7954 9.7807 9.7807 18.0333 18.0333 18.4832 18.4832 29.8933 29.8933 31.6459 31.6459 40.9742 40.9742 42.0470 42.0470 k = 0.0637 0.0901 0.6124 ( 556 PWs) bands (ev): 5.8629 5.8629 5.9084 5.9084 8.5358 8.5358 8.8076 8.8076 9.8057 9.8057 17.9438 17.9438 18.4695 18.4695 30.0937 30.0937 31.8137 31.8137 40.8463 40.8463 41.7964 41.7964 k = 0.0588 0.0832 0.6124 ( 558 PWs) bands (ev): 5.8569 5.8569 5.8973 5.8973 8.5284 8.5284 8.8186 8.8186 9.8300 9.8300 17.8599 17.8599 18.4570 18.4570 30.2870 30.2870 31.9762 31.9762 40.7236 40.7236 41.5548 41.5548 k = 0.0539 0.0763 0.6124 ( 558 PWs) bands (ev): 5.8506 5.8506 5.8877 5.8877 8.5216 8.5216 8.8285 8.8285 9.8535 9.8535 17.7818 17.7818 18.4456 18.4456 30.4719 30.4719 32.1328 32.1328 40.6058 40.6058 41.3243 41.3243 k = 0.0490 0.0693 0.6124 ( 558 PWs) bands (ev): 5.8440 5.8440 5.8795 5.8795 8.5153 8.5153 8.8373 8.8373 9.8760 9.8760 17.7096 17.7096 18.4353 18.4353 30.6471 30.6471 32.2827 32.2827 40.4922 40.4922 41.1073 41.1073 k = 0.0441 0.0624 0.6124 ( 558 PWs) bands (ev): 5.8371 5.8371 5.8729 5.8729 8.5097 8.5097 8.8451 8.8451 9.8971 9.8971 17.6437 17.6437 18.4262 18.4262 30.8111 30.8111 32.4251 32.4251 40.3817 40.3817 40.9071 40.9071 k = 0.0392 0.0555 0.6124 ( 556 PWs) bands (ev): 5.8302 5.8302 5.8676 5.8676 8.5046 8.5046 8.8520 8.8520 9.9168 9.9168 17.5841 17.5841 18.4180 18.4180 30.9625 30.9625 32.5589 32.5589 40.2726 40.2726 40.7277 40.7277 k = 0.0343 0.0485 0.6124 ( 556 PWs) bands (ev): 5.8236 5.8236 5.8634 5.8634 8.5001 8.5001 8.8579 8.8579 9.9346 9.9346 17.5310 17.5310 18.4109 18.4109 31.1000 31.1000 32.6829 32.6829 40.1635 40.1635 40.5731 40.5731 k = 0.0294 0.0416 0.6124 ( 556 PWs) bands (ev): 5.8174 5.8174 5.8600 5.8600 8.4962 8.4962 8.8629 8.8629 9.9505 9.9505 17.4847 17.4847 18.4048 18.4048 31.2221 31.2221 32.7956 32.7956 40.0543 40.0543 40.4458 40.4458 k = 0.0245 0.0347 0.6124 ( 556 PWs) bands (ev): 5.8119 5.8119 5.8574 5.8574 8.4930 8.4930 8.8671 8.8671 9.9643 9.9643 17.4452 17.4452 18.3997 18.3997 31.3276 31.3276 32.8953 32.8953 39.9483 39.9483 40.3454 40.3454 k = 0.0196 0.0277 0.6124 ( 556 PWs) bands (ev): 5.8073 5.8073 5.8553 5.8553 8.4903 8.4903 8.8705 8.8705 9.9758 9.9758 17.4127 17.4127 18.3955 18.3955 31.4156 31.4156 32.9802 32.9802 39.8511 39.8511 40.2690 40.2690 k = 0.0147 0.0208 0.6124 ( 556 PWs) bands (ev): 5.8037 5.8037 5.8537 5.8537 8.4882 8.4882 8.8731 8.8731 9.9849 9.9849 17.3873 17.3873 18.3923 18.3923 31.4849 31.4849 33.0487 33.0487 39.7689 39.7689 40.2129 40.2129 k = 0.0098 0.0139 0.6124 ( 556 PWs) bands (ev): 5.8010 5.8010 5.8527 5.8527 8.4867 8.4867 8.8749 8.8749 9.9915 9.9915 17.3692 17.3692 18.3900 18.3900 31.5350 31.5350 33.0989 33.0989 39.7067 39.7067 40.1745 40.1745 k = 0.0049 0.0069 0.6124 ( 554 PWs) bands (ev): 5.7994 5.7994 5.8520 5.8520 8.4858 8.4858 8.8760 8.8760 9.9955 9.9955 17.3582 17.3582 18.3887 18.3887 31.5652 31.5652 33.1297 33.1297 39.6681 39.6681 40.1520 40.1520 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 5.7989 5.7989 5.8518 5.8518 8.4855 8.4855 8.8764 8.8764 9.9968 9.9968 17.3546 17.3546 18.3882 18.3882 31.5753 31.5753 33.1400 33.1400 39.6550 39.6550 40.1446 40.1446 Writing output data file Pb.save init_run : 0.27s CPU 0.40s WALL ( 1 calls) electrons : 31.19s CPU 32.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 31.18s CPU 32.26s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 478 calls) cegterg : 28.93s CPU 29.73s WALL ( 541 calls) Called by sum_band: Called by *egterg: h_psi : 11.27s CPU 11.47s WALL ( 7704 calls) s_psi : 0.30s CPU 0.39s WALL ( 7704 calls) g_psi : 0.03s CPU 0.02s WALL ( 6685 calls) cdiaghg : 16.68s CPU 17.20s WALL ( 7163 calls) cegterg:over : 0.82s CPU 0.86s WALL ( 6685 calls) cegterg:upda : 0.62s CPU 0.64s WALL ( 6685 calls) cegterg:last : 0.32s CPU 0.33s WALL ( 1298 calls) cdiaghg:chol : 0.94s CPU 0.89s WALL ( 7163 calls) cdiaghg:inve : 0.16s CPU 0.18s WALL ( 7163 calls) cdiaghg:para : 1.17s CPU 1.21s WALL ( 14326 calls) Called by h_psi: h_psi:vloc : 10.28s CPU 10.47s WALL ( 7704 calls) h_psi:vnl : 0.96s CPU 0.98s WALL ( 7704 calls) add_vuspsi : 0.53s CPU 0.52s WALL ( 7704 calls) General routines calbec : 0.42s CPU 0.44s WALL ( 7704 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.70s CPU 9.97s WALL ( 371244 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.15s WALL ( 956 calls) Parallel routines fft_scatter : 5.91s CPU 6.25s WALL ( 371267 calls) PWSCF : 0m38.72s CPU 1m 2.20s WALL This run was terminated on: 21: 6:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=