Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 2 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: ./Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 11 3 260 129 25 Max 17 12 4 264 147 28 Sum 611 399 129 9453 5017 959 bravais-lattice index = 14 lattice parameter (alat) = 5.1404 a.u. unit-cell volume = 104.5611 (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 = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.140406 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 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 1229 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 Mo 14.00 95.94000 Mo( 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= 474 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0049505 -0.0035005 0.0060631), wk = 0.0021097 k( 3) = ( 0.0099010 -0.0070011 0.0121262), wk = 0.0021097 k( 4) = ( 0.0148515 -0.0105016 0.0181893), wk = 0.0021097 k( 5) = ( 0.0198020 -0.0140021 0.0242524), wk = 0.0021097 k( 6) = ( 0.0247525 -0.0175026 0.0303155), wk = 0.0021097 k( 7) = ( 0.0297030 -0.0210032 0.0363786), wk = 0.0021097 k( 8) = ( 0.0346535 -0.0245037 0.0424417), wk = 0.0021097 k( 9) = ( 0.0396040 -0.0280042 0.0485047), wk = 0.0021097 k( 10) = ( 0.0445545 -0.0315048 0.0545678), wk = 0.0021097 k( 11) = ( 0.0495049 -0.0350053 0.0606309), wk = 0.0021097 k( 12) = ( 0.0544555 -0.0385058 0.0666940), wk = 0.0021097 k( 13) = ( 0.0594059 -0.0420063 0.0727571), wk = 0.0021097 k( 14) = ( 0.0643564 -0.0455069 0.0788202), wk = 0.0021097 k( 15) = ( 0.0693069 -0.0490074 0.0848833), wk = 0.0021097 k( 16) = ( 0.0742574 -0.0525079 0.0909464), wk = 0.0021097 k( 17) = ( 0.0792079 -0.0560085 0.0970095), wk = 0.0021097 k( 18) = ( 0.0841584 -0.0595090 0.1030726), wk = 0.0021097 k( 19) = ( 0.0891089 -0.0630095 0.1091357), wk = 0.0021097 k( 20) = ( 0.0940594 -0.0665100 0.1151988), wk = 0.0021097 k( 21) = ( 0.0990099 -0.0700106 0.1212619), wk = 0.0021097 k( 22) = ( 0.1039604 -0.0735111 0.1273250), wk = 0.0021097 k( 23) = ( 0.1089109 -0.0770116 0.1333881), wk = 0.0021097 k( 24) = ( 0.1138614 -0.0805122 0.1394512), wk = 0.0021097 k( 25) = ( 0.1188119 -0.0840127 0.1455142), wk = 0.0021097 k( 26) = ( 0.1237624 -0.0875132 0.1515773), wk = 0.0021097 k( 27) = ( 0.1287129 -0.0910137 0.1576404), wk = 0.0021097 k( 28) = ( 0.1336634 -0.0945143 0.1637035), wk = 0.0021097 k( 29) = ( 0.1386139 -0.0980148 0.1697666), wk = 0.0021097 k( 30) = ( 0.1435644 -0.1015153 0.1758297), wk = 0.0021097 k( 31) = ( 0.1485149 -0.1050159 0.1818928), wk = 0.0021097 k( 32) = ( 0.1534654 -0.1085164 0.1879559), wk = 0.0021097 k( 33) = ( 0.1584158 -0.1120169 0.1940190), wk = 0.0021097 k( 34) = ( 0.1633663 -0.1155174 0.2000821), wk = 0.0021097 k( 35) = ( 0.1683168 -0.1190180 0.2061452), wk = 0.0021097 k( 36) = ( 0.1732673 -0.1225185 0.2122083), wk = 0.0021097 k( 37) = ( 0.1782178 -0.1260190 0.2182714), wk = 0.0021097 k( 38) = ( 0.1831683 -0.1295196 0.2243345), wk = 0.0021097 k( 39) = ( 0.1881188 -0.1330201 0.2303975), wk = 0.0021097 k( 40) = ( 0.1930693 -0.1365206 0.2364606), wk = 0.0021097 k( 41) = ( 0.1980198 -0.1400211 0.2425237), wk = 0.0021097 k( 42) = ( 0.2029703 -0.1435217 0.2485868), wk = 0.0021097 k( 43) = ( 0.2079208 -0.1470222 0.2546499), wk = 0.0021097 k( 44) = ( 0.2128713 -0.1505227 0.2607130), wk = 0.0021097 k( 45) = ( 0.2178218 -0.1540233 0.2667761), wk = 0.0021097 k( 46) = ( 0.2227723 -0.1575238 0.2728392), wk = 0.0021097 k( 47) = ( 0.2277228 -0.1610243 0.2789023), wk = 0.0021097 k( 48) = ( 0.2326733 -0.1645248 0.2849654), wk = 0.0021097 k( 49) = ( 0.2376238 -0.1680254 0.2910285), wk = 0.0021097 k( 50) = ( 0.2425743 -0.1715259 0.2970916), wk = 0.0021097 k( 51) = ( 0.2475247 -0.1750264 0.3031547), wk = 0.0021097 k( 52) = ( 0.2524752 -0.1785270 0.3092178), wk = 0.0021097 k( 53) = ( 0.2574257 -0.1820275 0.3152809), wk = 0.0021097 k( 54) = ( 0.2623762 -0.1855280 0.3213440), wk = 0.0021097 k( 55) = ( 0.2673267 -0.1890285 0.3274070), wk = 0.0021097 k( 56) = ( 0.2722772 -0.1925291 0.3334701), wk = 0.0021097 k( 57) = ( 0.2772277 -0.1960296 0.3395332), wk = 0.0021097 k( 58) = ( 0.2821782 -0.1995301 0.3455963), wk = 0.0021097 k( 59) = ( 0.2871287 -0.2030307 0.3516594), wk = 0.0021097 k( 60) = ( 0.2920792 -0.2065312 0.3577225), wk = 0.0021097 k( 61) = ( 0.2970297 -0.2100317 0.3637856), wk = 0.0021097 k( 62) = ( 0.3019802 -0.2135322 0.3698487), wk = 0.0021097 k( 63) = ( 0.3069307 -0.2170328 0.3759118), wk = 0.0021097 k( 64) = ( 0.3118812 -0.2205333 0.3819749), wk = 0.0021097 k( 65) = ( 0.3168317 -0.2240338 0.3880380), wk = 0.0021097 k( 66) = ( 0.3217822 -0.2275344 0.3941011), wk = 0.0021097 k( 67) = ( 0.3267327 -0.2310349 0.4001642), wk = 0.0021097 k( 68) = ( 0.3316832 -0.2345354 0.4062273), wk = 0.0021097 k( 69) = ( 0.3366337 -0.2380359 0.4122903), wk = 0.0021097 k( 70) = ( 0.3415842 -0.2415365 0.4183534), wk = 0.0021097 k( 71) = ( 0.3465346 -0.2450370 0.4244165), wk = 0.0021097 k( 72) = ( 0.3514852 -0.2485375 0.4304796), wk = 0.0021097 k( 73) = ( 0.3564356 -0.2520381 0.4365427), wk = 0.0021097 k( 74) = ( 0.3613861 -0.2555386 0.4426058), wk = 0.0021097 k( 75) = ( 0.3663366 -0.2590391 0.4486689), wk = 0.0021097 k( 76) = ( 0.3712871 -0.2625396 0.4547320), wk = 0.0021097 k( 77) = ( 0.3762376 -0.2660402 0.4607951), wk = 0.0021097 k( 78) = ( 0.3811881 -0.2695407 0.4668582), wk = 0.0021097 k( 79) = ( 0.3861386 -0.2730412 0.4729213), wk = 0.0021097 k( 80) = ( 0.3910891 -0.2765418 0.4789844), wk = 0.0021097 k( 81) = ( 0.3960396 -0.2800423 0.4850475), wk = 0.0021097 k( 82) = ( 0.4009901 -0.2835428 0.4911106), wk = 0.0021097 k( 83) = ( 0.4059406 -0.2870433 0.4971737), wk = 0.0021097 k( 84) = ( 0.4108911 -0.2905439 0.5032368), wk = 0.0021097 k( 85) = ( 0.4158416 -0.2940444 0.5092998), wk = 0.0021097 k( 86) = ( 0.4207921 -0.2975449 0.5153629), wk = 0.0021097 k( 87) = ( 0.4257426 -0.3010455 0.5214260), wk = 0.0021097 k( 88) = ( 0.4306931 -0.3045460 0.5274891), wk = 0.0021097 k( 89) = ( 0.4356436 -0.3080465 0.5335522), wk = 0.0021097 k( 90) = ( 0.4405941 -0.3115470 0.5396153), wk = 0.0021097 k( 91) = ( 0.4455445 -0.3150476 0.5456784), wk = 0.0021097 k( 92) = ( 0.4504951 -0.3185481 0.5517415), wk = 0.0021097 k( 93) = ( 0.4554455 -0.3220486 0.5578046), wk = 0.0021097 k( 94) = ( 0.4603960 -0.3255492 0.5638677), wk = 0.0021097 k( 95) = ( 0.4653465 -0.3290497 0.5699308), wk = 0.0021097 k( 96) = ( 0.4702970 -0.3325502 0.5759939), wk = 0.0021097 k( 97) = ( 0.4752475 -0.3360507 0.5820570), wk = 0.0021097 k( 98) = ( 0.4801980 -0.3395513 0.5881201), wk = 0.0021097 k( 99) = ( 0.4851485 -0.3430518 0.5941831), wk = 0.0021097 k( 100) = ( 0.4900990 -0.3465523 0.6002462), wk = 0.0021097 k( 101) = ( 0.4950495 -0.3500529 0.6063093), wk = 0.0021097 k( 102) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021097 k( 103) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021097 k( 104) = ( 0.4929577 -0.3485738 0.6123724), wk = 0.0021097 k( 105) = ( 0.4859155 -0.3435941 0.6123724), wk = 0.0021097 k( 106) = ( 0.4788732 -0.3386145 0.6123724), wk = 0.0021097 k( 107) = ( 0.4718310 -0.3336349 0.6123724), wk = 0.0021097 k( 108) = ( 0.4647887 -0.3286553 0.6123724), wk = 0.0021097 k( 109) = ( 0.4577465 -0.3236756 0.6123724), wk = 0.0021097 k( 110) = ( 0.4507042 -0.3186960 0.6123724), wk = 0.0021097 k( 111) = ( 0.4436620 -0.3137164 0.6123724), wk = 0.0021097 k( 112) = ( 0.4366197 -0.3087368 0.6123724), wk = 0.0021097 k( 113) = ( 0.4295775 -0.3037571 0.6123724), wk = 0.0021097 k( 114) = ( 0.4225352 -0.2987775 0.6123724), wk = 0.0021097 k( 115) = ( 0.4154930 -0.2937979 0.6123724), wk = 0.0021097 k( 116) = ( 0.4084507 -0.2888183 0.6123724), wk = 0.0021097 k( 117) = ( 0.4014085 -0.2838386 0.6123724), wk = 0.0021097 k( 118) = ( 0.3943662 -0.2788590 0.6123724), wk = 0.0021097 k( 119) = ( 0.3873239 -0.2738794 0.6123724), wk = 0.0021097 k( 120) = ( 0.3802817 -0.2688998 0.6123724), wk = 0.0021097 k( 121) = ( 0.3732394 -0.2639201 0.6123724), wk = 0.0021097 k( 122) = ( 0.3661972 -0.2589405 0.6123724), wk = 0.0021097 k( 123) = ( 0.3591549 -0.2539609 0.6123724), wk = 0.0021097 k( 124) = ( 0.3521127 -0.2489813 0.6123724), wk = 0.0021097 k( 125) = ( 0.3450704 -0.2440016 0.6123724), wk = 0.0021097 k( 126) = ( 0.3380282 -0.2390220 0.6123724), wk = 0.0021097 k( 127) = ( 0.3309859 -0.2340424 0.6123724), wk = 0.0021097 k( 128) = ( 0.3239437 -0.2290628 0.6123724), wk = 0.0021097 k( 129) = ( 0.3169014 -0.2240831 0.6123724), wk = 0.0021097 k( 130) = ( 0.3098592 -0.2191035 0.6123724), wk = 0.0021097 k( 131) = ( 0.3028169 -0.2141239 0.6123724), wk = 0.0021097 k( 132) = ( 0.2957746 -0.2091443 0.6123724), wk = 0.0021097 k( 133) = ( 0.2887324 -0.2041646 0.6123724), wk = 0.0021097 k( 134) = ( 0.2816901 -0.1991850 0.6123724), wk = 0.0021097 k( 135) = ( 0.2746479 -0.1942054 0.6123724), wk = 0.0021097 k( 136) = ( 0.2676056 -0.1892258 0.6123724), wk = 0.0021097 k( 137) = ( 0.2605634 -0.1842461 0.6123724), wk = 0.0021097 k( 138) = ( 0.2535211 -0.1792665 0.6123724), wk = 0.0021097 k( 139) = ( 0.2464789 -0.1742869 0.6123724), wk = 0.0021097 k( 140) = ( 0.2394366 -0.1693073 0.6123724), wk = 0.0021097 k( 141) = ( 0.2323944 -0.1643276 0.6123724), wk = 0.0021097 k( 142) = ( 0.2253521 -0.1593480 0.6123724), wk = 0.0021097 k( 143) = ( 0.2183099 -0.1543684 0.6123724), wk = 0.0021097 k( 144) = ( 0.2112676 -0.1493888 0.6123724), wk = 0.0021097 k( 145) = ( 0.2042253 -0.1444091 0.6123724), wk = 0.0021097 k( 146) = ( 0.1971831 -0.1394295 0.6123724), wk = 0.0021097 k( 147) = ( 0.1901409 -0.1344499 0.6123724), wk = 0.0021097 k( 148) = ( 0.1830986 -0.1294703 0.6123724), wk = 0.0021097 k( 149) = ( 0.1760563 -0.1244906 0.6123724), wk = 0.0021097 k( 150) = ( 0.1690141 -0.1195110 0.6123724), wk = 0.0021097 k( 151) = ( 0.1619718 -0.1145314 0.6123724), wk = 0.0021097 k( 152) = ( 0.1549296 -0.1095518 0.6123724), wk = 0.0021097 k( 153) = ( 0.1478873 -0.1045721 0.6123724), wk = 0.0021097 k( 154) = ( 0.1408451 -0.0995925 0.6123724), wk = 0.0021097 k( 155) = ( 0.1338028 -0.0946129 0.6123724), wk = 0.0021097 k( 156) = ( 0.1267606 -0.0896333 0.6123724), wk = 0.0021097 k( 157) = ( 0.1197183 -0.0846536 0.6123724), wk = 0.0021097 k( 158) = ( 0.1126761 -0.0796740 0.6123724), wk = 0.0021097 k( 159) = ( 0.1056338 -0.0746944 0.6123724), wk = 0.0021097 k( 160) = ( 0.0985916 -0.0697148 0.6123724), wk = 0.0021097 k( 161) = ( 0.0915493 -0.0647351 0.6123724), wk = 0.0021097 k( 162) = ( 0.0845070 -0.0597555 0.6123724), wk = 0.0021097 k( 163) = ( 0.0774648 -0.0547759 0.6123724), wk = 0.0021097 k( 164) = ( 0.0704225 -0.0497963 0.6123724), wk = 0.0021097 k( 165) = ( 0.0633803 -0.0448166 0.6123724), wk = 0.0021097 k( 166) = ( 0.0563380 -0.0398370 0.6123724), wk = 0.0021097 k( 167) = ( 0.0492958 -0.0348574 0.6123724), wk = 0.0021097 k( 168) = ( 0.0422535 -0.0298778 0.6123724), wk = 0.0021097 k( 169) = ( 0.0352113 -0.0248981 0.6123724), wk = 0.0021097 k( 170) = ( 0.0281690 -0.0199185 0.6123724), wk = 0.0021097 k( 171) = ( 0.0211268 -0.0149389 0.6123724), wk = 0.0021097 k( 172) = ( 0.0140845 -0.0099593 0.6123724), wk = 0.0021097 k( 173) = ( 0.0070422 -0.0049796 0.6123724), wk = 0.0021097 k( 174) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021097 k( 175) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021097 k( 176) = ( 0.0000000 0.0000000 0.6037475), wk = 0.0021097 k( 177) = ( 0.0000000 0.0000000 0.5951225), wk = 0.0021097 k( 178) = ( 0.0000000 0.0000000 0.5864975), wk = 0.0021097 k( 179) = ( 0.0000000 0.0000000 0.5778726), wk = 0.0021097 k( 180) = ( 0.0000000 0.0000000 0.5692476), wk = 0.0021097 k( 181) = ( 0.0000000 0.0000000 0.5606227), wk = 0.0021097 k( 182) = ( 0.0000000 0.0000000 0.5519977), wk = 0.0021097 k( 183) = ( 0.0000000 0.0000000 0.5433727), wk = 0.0021097 k( 184) = ( 0.0000000 0.0000000 0.5347478), wk = 0.0021097 k( 185) = ( 0.0000000 0.0000000 0.5261228), wk = 0.0021097 k( 186) = ( 0.0000000 0.0000000 0.5174978), wk = 0.0021097 k( 187) = ( 0.0000000 0.0000000 0.5088729), wk = 0.0021097 k( 188) = ( 0.0000000 0.0000000 0.5002479), wk = 0.0021097 k( 189) = ( 0.0000000 0.0000000 0.4916229), wk = 0.0021097 k( 190) = ( 0.0000000 0.0000000 0.4829980), wk = 0.0021097 k( 191) = ( 0.0000000 0.0000000 0.4743730), wk = 0.0021097 k( 192) = ( 0.0000000 0.0000000 0.4657480), wk = 0.0021097 k( 193) = ( 0.0000000 0.0000000 0.4571231), wk = 0.0021097 k( 194) = ( 0.0000000 0.0000000 0.4484981), wk = 0.0021097 k( 195) = ( 0.0000000 0.0000000 0.4398732), wk = 0.0021097 k( 196) = ( 0.0000000 0.0000000 0.4312482), wk = 0.0021097 k( 197) = ( 0.0000000 0.0000000 0.4226232), wk = 0.0021097 k( 198) = ( 0.0000000 0.0000000 0.4139983), wk = 0.0021097 k( 199) = ( 0.0000000 0.0000000 0.4053733), wk = 0.0021097 k( 200) = ( 0.0000000 0.0000000 0.3967483), wk = 0.0021097 k( 201) = ( 0.0000000 0.0000000 0.3881234), wk = 0.0021097 k( 202) = ( 0.0000000 0.0000000 0.3794984), wk = 0.0021097 k( 203) = ( 0.0000000 0.0000000 0.3708734), wk = 0.0021097 k( 204) = ( 0.0000000 0.0000000 0.3622485), wk = 0.0021097 k( 205) = ( 0.0000000 0.0000000 0.3536235), wk = 0.0021097 k( 206) = ( 0.0000000 0.0000000 0.3449986), wk = 0.0021097 k( 207) = ( 0.0000000 0.0000000 0.3363736), wk = 0.0021097 k( 208) = ( 0.0000000 0.0000000 0.3277486), wk = 0.0021097 k( 209) = ( 0.0000000 0.0000000 0.3191237), wk = 0.0021097 k( 210) = ( 0.0000000 0.0000000 0.3104987), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.3018737), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.2932488), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.2846238), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.2759988), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.2673739), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.2587489), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.2501240), wk = 0.0021097 k( 218) = ( 0.0000000 0.0000000 0.2414990), wk = 0.0021097 k( 219) = ( 0.0000000 0.0000000 0.2328740), wk = 0.0021097 k( 220) = ( 0.0000000 0.0000000 0.2242491), wk = 0.0021097 k( 221) = ( 0.0000000 0.0000000 0.2156241), wk = 0.0021097 k( 222) = ( 0.0000000 0.0000000 0.2069991), wk = 0.0021097 k( 223) = ( 0.0000000 0.0000000 0.1983742), wk = 0.0021097 k( 224) = ( 0.0000000 0.0000000 0.1897492), wk = 0.0021097 k( 225) = ( 0.0000000 0.0000000 0.1811242), wk = 0.0021097 k( 226) = ( 0.0000000 0.0000000 0.1724993), wk = 0.0021097 k( 227) = ( 0.0000000 0.0000000 0.1638743), wk = 0.0021097 k( 228) = ( 0.0000000 0.0000000 0.1552493), wk = 0.0021097 k( 229) = ( 0.0000000 0.0000000 0.1466244), wk = 0.0021097 k( 230) = ( 0.0000000 0.0000000 0.1379994), wk = 0.0021097 k( 231) = ( 0.0000000 0.0000000 0.1293745), wk = 0.0021097 k( 232) = ( 0.0000000 0.0000000 0.1207495), wk = 0.0021097 k( 233) = ( 0.0000000 0.0000000 0.1121245), wk = 0.0021097 k( 234) = ( 0.0000000 0.0000000 0.1034996), wk = 0.0021097 k( 235) = ( 0.0000000 0.0000000 0.0948746), wk = 0.0021097 k( 236) = ( 0.0000000 0.0000000 0.0862496), wk = 0.0021097 k( 237) = ( 0.0000000 0.0000000 0.0776247), wk = 0.0021097 k( 238) = ( 0.0000000 0.0000000 0.0689997), wk = 0.0021097 k( 239) = ( 0.0000000 0.0000000 0.0603747), wk = 0.0021097 k( 240) = ( 0.0000000 0.0000000 0.0517498), wk = 0.0021097 k( 241) = ( 0.0000000 0.0000000 0.0431248), wk = 0.0021097 k( 242) = ( 0.0000000 0.0000000 0.0344999), wk = 0.0021097 k( 243) = ( 0.0000000 0.0000000 0.0258749), wk = 0.0021097 k( 244) = ( 0.0000000 0.0000000 0.0172499), wk = 0.0021097 k( 245) = ( 0.0000000 0.0000000 0.0086250), wk = 0.0021097 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 248) = ( 0.0028736 0.0040638 0.0070388), wk = 0.0021097 k( 249) = ( 0.0057471 0.0081277 0.0140775), wk = 0.0021097 k( 250) = ( 0.0086207 0.0121915 0.0211163), wk = 0.0021097 k( 251) = ( 0.0114942 0.0162553 0.0281550), wk = 0.0021097 k( 252) = ( 0.0143678 0.0203192 0.0351938), wk = 0.0021097 k( 253) = ( 0.0172414 0.0243830 0.0422326), wk = 0.0021097 k( 254) = ( 0.0201149 0.0284468 0.0492713), wk = 0.0021097 k( 255) = ( 0.0229885 0.0325107 0.0563101), wk = 0.0021097 k( 256) = ( 0.0258621 0.0365745 0.0633489), wk = 0.0021097 k( 257) = ( 0.0287356 0.0406383 0.0703876), wk = 0.0021097 k( 258) = ( 0.0316092 0.0447022 0.0774264), wk = 0.0021097 k( 259) = ( 0.0344828 0.0487660 0.0844652), wk = 0.0021097 k( 260) = ( 0.0373563 0.0528298 0.0915039), wk = 0.0021097 k( 261) = ( 0.0402299 0.0568937 0.0985427), wk = 0.0021097 k( 262) = ( 0.0431035 0.0609575 0.1055815), wk = 0.0021097 k( 263) = ( 0.0459770 0.0650213 0.1126202), wk = 0.0021097 k( 264) = ( 0.0488506 0.0690851 0.1196590), wk = 0.0021097 k( 265) = ( 0.0517241 0.0731490 0.1266978), wk = 0.0021097 k( 266) = ( 0.0545977 0.0772128 0.1337365), wk = 0.0021097 k( 267) = ( 0.0574713 0.0812766 0.1407753), wk = 0.0021097 k( 268) = ( 0.0603448 0.0853405 0.1478140), wk = 0.0021097 k( 269) = ( 0.0632184 0.0894043 0.1548528), wk = 0.0021097 k( 270) = ( 0.0660919 0.0934681 0.1618916), wk = 0.0021097 k( 271) = ( 0.0689655 0.0975320 0.1689303), wk = 0.0021097 k( 272) = ( 0.0718391 0.1015958 0.1759691), wk = 0.0021097 k( 273) = ( 0.0747126 0.1056596 0.1830078), wk = 0.0021097 k( 274) = ( 0.0775862 0.1097235 0.1900466), wk = 0.0021097 k( 275) = ( 0.0804598 0.1137873 0.1970854), wk = 0.0021097 k( 276) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0021097 k( 277) = ( 0.0862069 0.1219150 0.2111629), wk = 0.0021097 k( 278) = ( 0.0890805 0.1259788 0.2182017), wk = 0.0021097 k( 279) = ( 0.0919540 0.1300426 0.2252404), wk = 0.0021097 k( 280) = ( 0.0948276 0.1341065 0.2322792), wk = 0.0021097 k( 281) = ( 0.0977012 0.1381703 0.2393180), wk = 0.0021097 k( 282) = ( 0.1005747 0.1422341 0.2463567), wk = 0.0021097 k( 283) = ( 0.1034483 0.1462980 0.2533955), wk = 0.0021097 k( 284) = ( 0.1063218 0.1503618 0.2604343), wk = 0.0021097 k( 285) = ( 0.1091954 0.1544256 0.2674730), wk = 0.0021097 k( 286) = ( 0.1120690 0.1584895 0.2745118), wk = 0.0021097 k( 287) = ( 0.1149425 0.1625533 0.2815505), wk = 0.0021097 k( 288) = ( 0.1178161 0.1666171 0.2885893), wk = 0.0021097 k( 289) = ( 0.1206897 0.1706810 0.2956281), wk = 0.0021097 k( 290) = ( 0.1235632 0.1747448 0.3026668), wk = 0.0021097 k( 291) = ( 0.1264368 0.1788086 0.3097056), wk = 0.0021097 k( 292) = ( 0.1293103 0.1828724 0.3167444), wk = 0.0021097 k( 293) = ( 0.1321839 0.1869363 0.3237831), wk = 0.0021097 k( 294) = ( 0.1350575 0.1910001 0.3308219), wk = 0.0021097 k( 295) = ( 0.1379310 0.1950639 0.3378606), wk = 0.0021097 k( 296) = ( 0.1408046 0.1991278 0.3448994), wk = 0.0021097 k( 297) = ( 0.1436782 0.2031916 0.3519382), wk = 0.0021097 k( 298) = ( 0.1465517 0.2072554 0.3589769), wk = 0.0021097 k( 299) = ( 0.1494253 0.2113193 0.3660157), wk = 0.0021097 k( 300) = ( 0.1522989 0.2153831 0.3730545), wk = 0.0021097 k( 301) = ( 0.1551724 0.2194469 0.3800932), wk = 0.0021097 k( 302) = ( 0.1580460 0.2235108 0.3871320), wk = 0.0021097 k( 303) = ( 0.1609195 0.2275746 0.3941708), wk = 0.0021097 k( 304) = ( 0.1637931 0.2316384 0.4012095), wk = 0.0021097 k( 305) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0021097 k( 306) = ( 0.1695402 0.2397661 0.4152871), wk = 0.0021097 k( 307) = ( 0.1724138 0.2438299 0.4223258), wk = 0.0021097 k( 308) = ( 0.1752874 0.2478938 0.4293646), wk = 0.0021097 k( 309) = ( 0.1781609 0.2519576 0.4364033), wk = 0.0021097 k( 310) = ( 0.1810345 0.2560214 0.4434421), wk = 0.0021097 k( 311) = ( 0.1839080 0.2600853 0.4504809), wk = 0.0021097 k( 312) = ( 0.1867816 0.2641491 0.4575196), wk = 0.0021097 k( 313) = ( 0.1896552 0.2682129 0.4645584), wk = 0.0021097 k( 314) = ( 0.1925287 0.2722768 0.4715972), wk = 0.0021097 k( 315) = ( 0.1954023 0.2763406 0.4786359), wk = 0.0021097 k( 316) = ( 0.1982759 0.2804044 0.4856747), wk = 0.0021097 k( 317) = ( 0.2011494 0.2844683 0.4927135), wk = 0.0021097 k( 318) = ( 0.2040230 0.2885321 0.4997522), wk = 0.0021097 k( 319) = ( 0.2068966 0.2925959 0.5067910), wk = 0.0021097 k( 320) = ( 0.2097701 0.2966597 0.5138297), wk = 0.0021097 k( 321) = ( 0.2126437 0.3007236 0.5208685), wk = 0.0021097 k( 322) = ( 0.2155172 0.3047874 0.5279073), wk = 0.0021097 k( 323) = ( 0.2183908 0.3088512 0.5349460), wk = 0.0021097 k( 324) = ( 0.2212644 0.3129151 0.5419848), wk = 0.0021097 k( 325) = ( 0.2241379 0.3169789 0.5490236), wk = 0.0021097 k( 326) = ( 0.2270115 0.3210427 0.5560623), wk = 0.0021097 k( 327) = ( 0.2298851 0.3251066 0.5631011), wk = 0.0021097 k( 328) = ( 0.2327586 0.3291704 0.5701399), wk = 0.0021097 k( 329) = ( 0.2356322 0.3332342 0.5771786), wk = 0.0021097 k( 330) = ( 0.2385057 0.3372981 0.5842174), wk = 0.0021097 k( 331) = ( 0.2413793 0.3413619 0.5912561), wk = 0.0021097 k( 332) = ( 0.2442529 0.3454257 0.5982949), wk = 0.0021097 k( 333) = ( 0.2471264 0.3494896 0.6053337), wk = 0.0021097 k( 334) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021097 k( 335) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021097 k( 336) = ( 0.2528736 0.3454257 0.6123724), wk = 0.0021097 k( 337) = ( 0.2557471 0.3372981 0.6123724), wk = 0.0021097 k( 338) = ( 0.2586207 0.3291704 0.6123724), wk = 0.0021097 k( 339) = ( 0.2614942 0.3210427 0.6123724), wk = 0.0021097 k( 340) = ( 0.2643678 0.3129151 0.6123724), wk = 0.0021097 k( 341) = ( 0.2672414 0.3047874 0.6123724), wk = 0.0021097 k( 342) = ( 0.2701149 0.2966597 0.6123724), wk = 0.0021097 k( 343) = ( 0.2729885 0.2885321 0.6123724), wk = 0.0021097 k( 344) = ( 0.2758621 0.2804044 0.6123724), wk = 0.0021097 k( 345) = ( 0.2787356 0.2722767 0.6123724), wk = 0.0021097 k( 346) = ( 0.2816092 0.2641491 0.6123724), wk = 0.0021097 k( 347) = ( 0.2844828 0.2560214 0.6123724), wk = 0.0021097 k( 348) = ( 0.2873563 0.2478938 0.6123724), wk = 0.0021097 k( 349) = ( 0.2902299 0.2397661 0.6123724), wk = 0.0021097 k( 350) = ( 0.2931034 0.2316384 0.6123724), wk = 0.0021097 k( 351) = ( 0.2959770 0.2235108 0.6123724), wk = 0.0021097 k( 352) = ( 0.2988506 0.2153831 0.6123724), wk = 0.0021097 k( 353) = ( 0.3017241 0.2072554 0.6123724), wk = 0.0021097 k( 354) = ( 0.3045977 0.1991278 0.6123724), wk = 0.0021097 k( 355) = ( 0.3074713 0.1910001 0.6123724), wk = 0.0021097 k( 356) = ( 0.3103448 0.1828724 0.6123724), wk = 0.0021097 k( 357) = ( 0.3132184 0.1747448 0.6123724), wk = 0.0021097 k( 358) = ( 0.3160920 0.1666171 0.6123724), wk = 0.0021097 k( 359) = ( 0.3189655 0.1584895 0.6123724), wk = 0.0021097 k( 360) = ( 0.3218391 0.1503618 0.6123724), wk = 0.0021097 k( 361) = ( 0.3247126 0.1422341 0.6123724), wk = 0.0021097 k( 362) = ( 0.3275862 0.1341065 0.6123724), wk = 0.0021097 k( 363) = ( 0.3304598 0.1259788 0.6123724), wk = 0.0021097 k( 364) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0021097 k( 365) = ( 0.3362069 0.1097235 0.6123724), wk = 0.0021097 k( 366) = ( 0.3390805 0.1015958 0.6123724), wk = 0.0021097 k( 367) = ( 0.3419540 0.0934681 0.6123724), wk = 0.0021097 k( 368) = ( 0.3448276 0.0853405 0.6123724), wk = 0.0021097 k( 369) = ( 0.3477012 0.0772128 0.6123724), wk = 0.0021097 k( 370) = ( 0.3505747 0.0690851 0.6123724), wk = 0.0021097 k( 371) = ( 0.3534483 0.0609575 0.6123724), wk = 0.0021097 k( 372) = ( 0.3563218 0.0528298 0.6123724), wk = 0.0021097 k( 373) = ( 0.3591954 0.0447021 0.6123724), wk = 0.0021097 k( 374) = ( 0.3620690 0.0365745 0.6123724), wk = 0.0021097 k( 375) = ( 0.3649425 0.0284468 0.6123724), wk = 0.0021097 k( 376) = ( 0.3678161 0.0203192 0.6123724), wk = 0.0021097 k( 377) = ( 0.3706897 0.0121915 0.6123724), wk = 0.0021097 k( 378) = ( 0.3735632 0.0040638 0.6123724), wk = 0.0021097 k( 379) = ( 0.3764368 -0.0040638 0.6123724), wk = 0.0021097 k( 380) = ( 0.3793103 -0.0121915 0.6123724), wk = 0.0021097 k( 381) = ( 0.3821839 -0.0203192 0.6123724), wk = 0.0021097 k( 382) = ( 0.3850575 -0.0284468 0.6123724), wk = 0.0021097 k( 383) = ( 0.3879310 -0.0365745 0.6123724), wk = 0.0021097 k( 384) = ( 0.3908046 -0.0447021 0.6123724), wk = 0.0021097 k( 385) = ( 0.3936782 -0.0528298 0.6123724), wk = 0.0021097 k( 386) = ( 0.3965517 -0.0609575 0.6123724), wk = 0.0021097 k( 387) = ( 0.3994253 -0.0690851 0.6123724), wk = 0.0021097 k( 388) = ( 0.4022988 -0.0772128 0.6123724), wk = 0.0021097 k( 389) = ( 0.4051724 -0.0853405 0.6123724), wk = 0.0021097 k( 390) = ( 0.4080460 -0.0934681 0.6123724), wk = 0.0021097 k( 391) = ( 0.4109195 -0.1015958 0.6123724), wk = 0.0021097 k( 392) = ( 0.4137931 -0.1097235 0.6123724), wk = 0.0021097 k( 393) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0021097 k( 394) = ( 0.4195402 -0.1259788 0.6123724), wk = 0.0021097 k( 395) = ( 0.4224138 -0.1341065 0.6123724), wk = 0.0021097 k( 396) = ( 0.4252874 -0.1422341 0.6123724), wk = 0.0021097 k( 397) = ( 0.4281609 -0.1503618 0.6123724), wk = 0.0021097 k( 398) = ( 0.4310345 -0.1584895 0.6123724), wk = 0.0021097 k( 399) = ( 0.4339080 -0.1666171 0.6123724), wk = 0.0021097 k( 400) = ( 0.4367816 -0.1747448 0.6123724), wk = 0.0021097 k( 401) = ( 0.4396552 -0.1828724 0.6123724), wk = 0.0021097 k( 402) = ( 0.4425287 -0.1910001 0.6123724), wk = 0.0021097 k( 403) = ( 0.4454023 -0.1991278 0.6123724), wk = 0.0021097 k( 404) = ( 0.4482759 -0.2072554 0.6123724), wk = 0.0021097 k( 405) = ( 0.4511494 -0.2153831 0.6123724), wk = 0.0021097 k( 406) = ( 0.4540230 -0.2235108 0.6123724), wk = 0.0021097 k( 407) = ( 0.4568966 -0.2316384 0.6123724), wk = 0.0021097 k( 408) = ( 0.4597701 -0.2397661 0.6123724), wk = 0.0021097 k( 409) = ( 0.4626437 -0.2478938 0.6123724), wk = 0.0021097 k( 410) = ( 0.4655172 -0.2560214 0.6123724), wk = 0.0021097 k( 411) = ( 0.4683908 -0.2641491 0.6123724), wk = 0.0021097 k( 412) = ( 0.4712644 -0.2722767 0.6123724), wk = 0.0021097 k( 413) = ( 0.4741379 -0.2804044 0.6123724), wk = 0.0021097 k( 414) = ( 0.4770115 -0.2885321 0.6123724), wk = 0.0021097 k( 415) = ( 0.4798851 -0.2966597 0.6123724), wk = 0.0021097 k( 416) = ( 0.4827586 -0.3047874 0.6123724), wk = 0.0021097 k( 417) = ( 0.4856322 -0.3129151 0.6123724), wk = 0.0021097 k( 418) = ( 0.4885058 -0.3210427 0.6123724), wk = 0.0021097 k( 419) = ( 0.4913793 -0.3291704 0.6123724), wk = 0.0021097 k( 420) = ( 0.4942529 -0.3372981 0.6123724), wk = 0.0021097 k( 421) = ( 0.4971264 -0.3454257 0.6123724), wk = 0.0021097 k( 422) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0021097 k( 423) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0021097 k( 424) = ( 0.2450980 0.3466210 0.6123724), wk = 0.0021097 k( 425) = ( 0.2401961 0.3396886 0.6123724), wk = 0.0021097 k( 426) = ( 0.2352941 0.3327561 0.6123724), wk = 0.0021097 k( 427) = ( 0.2303922 0.3258237 0.6123724), wk = 0.0021097 k( 428) = ( 0.2254902 0.3188913 0.6123724), wk = 0.0021097 k( 429) = ( 0.2205882 0.3119589 0.6123724), wk = 0.0021097 k( 430) = ( 0.2156863 0.3050264 0.6123724), wk = 0.0021097 k( 431) = ( 0.2107843 0.2980940 0.6123724), wk = 0.0021097 k( 432) = ( 0.2058823 0.2911616 0.6123724), wk = 0.0021097 k( 433) = ( 0.2009804 0.2842292 0.6123724), wk = 0.0021097 k( 434) = ( 0.1960784 0.2772968 0.6123724), wk = 0.0021097 k( 435) = ( 0.1911765 0.2703644 0.6123724), wk = 0.0021097 k( 436) = ( 0.1862745 0.2634319 0.6123724), wk = 0.0021097 k( 437) = ( 0.1813725 0.2564995 0.6123724), wk = 0.0021097 k( 438) = ( 0.1764706 0.2495671 0.6123724), wk = 0.0021097 k( 439) = ( 0.1715686 0.2426347 0.6123724), wk = 0.0021097 k( 440) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0021097 k( 441) = ( 0.1617647 0.2287698 0.6123724), wk = 0.0021097 k( 442) = ( 0.1568627 0.2218374 0.6123724), wk = 0.0021097 k( 443) = ( 0.1519608 0.2149050 0.6123724), wk = 0.0021097 k( 444) = ( 0.1470588 0.2079726 0.6123724), wk = 0.0021097 k( 445) = ( 0.1421569 0.2010402 0.6123724), wk = 0.0021097 k( 446) = ( 0.1372549 0.1941077 0.6123724), wk = 0.0021097 k( 447) = ( 0.1323529 0.1871753 0.6123724), wk = 0.0021097 k( 448) = ( 0.1274510 0.1802429 0.6123724), wk = 0.0021097 k( 449) = ( 0.1225490 0.1733105 0.6123724), wk = 0.0021097 k( 450) = ( 0.1176471 0.1663781 0.6123724), wk = 0.0021097 k( 451) = ( 0.1127451 0.1594456 0.6123724), wk = 0.0021097 k( 452) = ( 0.1078431 0.1525132 0.6123724), wk = 0.0021097 k( 453) = ( 0.1029412 0.1455808 0.6123724), wk = 0.0021097 k( 454) = ( 0.0980392 0.1386484 0.6123724), wk = 0.0021097 k( 455) = ( 0.0931373 0.1317160 0.6123724), wk = 0.0021097 k( 456) = ( 0.0882353 0.1247835 0.6123724), wk = 0.0021097 k( 457) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0021097 k( 458) = ( 0.0784314 0.1109187 0.6123724), wk = 0.0021097 k( 459) = ( 0.0735294 0.1039863 0.6123724), wk = 0.0021097 k( 460) = ( 0.0686275 0.0970539 0.6123724), wk = 0.0021097 k( 461) = ( 0.0637255 0.0901215 0.6123724), wk = 0.0021097 k( 462) = ( 0.0588235 0.0831890 0.6123724), wk = 0.0021097 k( 463) = ( 0.0539216 0.0762566 0.6123724), wk = 0.0021097 k( 464) = ( 0.0490196 0.0693242 0.6123724), wk = 0.0021097 k( 465) = ( 0.0441177 0.0623918 0.6123724), wk = 0.0021097 k( 466) = ( 0.0392157 0.0554594 0.6123724), wk = 0.0021097 k( 467) = ( 0.0343137 0.0485269 0.6123724), wk = 0.0021097 k( 468) = ( 0.0294118 0.0415945 0.6123724), wk = 0.0021097 k( 469) = ( 0.0245098 0.0346621 0.6123724), wk = 0.0021097 k( 470) = ( 0.0196078 0.0277297 0.6123724), wk = 0.0021097 k( 471) = ( 0.0147059 0.0207973 0.6123724), wk = 0.0021097 k( 472) = ( 0.0098039 0.0138648 0.6123724), wk = 0.0021097 k( 473) = ( 0.0049020 0.0069324 0.6123724), wk = 0.0021097 k( 474) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0021097 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0049505 -0.0049505 0.0049505), wk = 0.0021097 k( 3) = ( 0.0099010 -0.0099010 0.0099010), wk = 0.0021097 k( 4) = ( 0.0148515 -0.0148515 0.0148515), wk = 0.0021097 k( 5) = ( 0.0198020 -0.0198020 0.0198020), wk = 0.0021097 k( 6) = ( 0.0247525 -0.0247525 0.0247525), wk = 0.0021097 k( 7) = ( 0.0297030 -0.0297030 0.0297030), wk = 0.0021097 k( 8) = ( 0.0346535 -0.0346535 0.0346535), wk = 0.0021097 k( 9) = ( 0.0396040 -0.0396040 0.0396040), wk = 0.0021097 k( 10) = ( 0.0445545 -0.0445545 0.0445545), wk = 0.0021097 k( 11) = ( 0.0495049 -0.0495049 0.0495049), wk = 0.0021097 k( 12) = ( 0.0544555 -0.0544555 0.0544554), wk = 0.0021097 k( 13) = ( 0.0594059 -0.0594059 0.0594059), wk = 0.0021097 k( 14) = ( 0.0643564 -0.0643564 0.0643564), wk = 0.0021097 k( 15) = ( 0.0693069 -0.0693069 0.0693069), wk = 0.0021097 k( 16) = ( 0.0742574 -0.0742574 0.0742574), wk = 0.0021097 k( 17) = ( 0.0792079 -0.0792079 0.0792079), wk = 0.0021097 k( 18) = ( 0.0841584 -0.0841584 0.0841584), wk = 0.0021097 k( 19) = ( 0.0891089 -0.0891089 0.0891089), wk = 0.0021097 k( 20) = ( 0.0940594 -0.0940594 0.0940594), wk = 0.0021097 k( 21) = ( 0.0990099 -0.0990099 0.0990099), wk = 0.0021097 k( 22) = ( 0.1039604 -0.1039604 0.1039604), wk = 0.0021097 k( 23) = ( 0.1089109 -0.1089109 0.1089109), wk = 0.0021097 k( 24) = ( 0.1138614 -0.1138614 0.1138614), wk = 0.0021097 k( 25) = ( 0.1188119 -0.1188119 0.1188119), wk = 0.0021097 k( 26) = ( 0.1237624 -0.1237624 0.1237624), wk = 0.0021097 k( 27) = ( 0.1287129 -0.1287129 0.1287129), wk = 0.0021097 k( 28) = ( 0.1336634 -0.1336634 0.1336634), wk = 0.0021097 k( 29) = ( 0.1386139 -0.1386139 0.1386139), wk = 0.0021097 k( 30) = ( 0.1435644 -0.1435644 0.1435644), wk = 0.0021097 k( 31) = ( 0.1485149 -0.1485148 0.1485149), wk = 0.0021097 k( 32) = ( 0.1534654 -0.1534653 0.1534653), wk = 0.0021097 k( 33) = ( 0.1584158 -0.1584158 0.1584158), wk = 0.0021097 k( 34) = ( 0.1633663 -0.1633663 0.1633663), wk = 0.0021097 k( 35) = ( 0.1683168 -0.1683168 0.1683168), wk = 0.0021097 k( 36) = ( 0.1732673 -0.1732673 0.1732673), wk = 0.0021097 k( 37) = ( 0.1782178 -0.1782178 0.1782178), wk = 0.0021097 k( 38) = ( 0.1831683 -0.1831683 0.1831683), wk = 0.0021097 k( 39) = ( 0.1881188 -0.1881188 0.1881188), wk = 0.0021097 k( 40) = ( 0.1930693 -0.1930693 0.1930693), wk = 0.0021097 k( 41) = ( 0.1980198 -0.1980198 0.1980198), wk = 0.0021097 k( 42) = ( 0.2029703 -0.2029703 0.2029703), wk = 0.0021097 k( 43) = ( 0.2079208 -0.2079208 0.2079208), wk = 0.0021097 k( 44) = ( 0.2128713 -0.2128713 0.2128713), wk = 0.0021097 k( 45) = ( 0.2178218 -0.2178218 0.2178218), wk = 0.0021097 k( 46) = ( 0.2227723 -0.2227723 0.2227723), wk = 0.0021097 k( 47) = ( 0.2277228 -0.2277228 0.2277228), wk = 0.0021097 k( 48) = ( 0.2326733 -0.2326733 0.2326733), wk = 0.0021097 k( 49) = ( 0.2376238 -0.2376238 0.2376238), wk = 0.0021097 k( 50) = ( 0.2425743 -0.2425743 0.2425743), wk = 0.0021097 k( 51) = ( 0.2475247 -0.2475247 0.2475247), wk = 0.0021097 k( 52) = ( 0.2524752 -0.2524752 0.2524752), wk = 0.0021097 k( 53) = ( 0.2574257 -0.2574257 0.2574257), wk = 0.0021097 k( 54) = ( 0.2623762 -0.2623762 0.2623762), wk = 0.0021097 k( 55) = ( 0.2673267 -0.2673267 0.2673267), wk = 0.0021097 k( 56) = ( 0.2722772 -0.2722772 0.2722772), wk = 0.0021097 k( 57) = ( 0.2772277 -0.2772277 0.2772277), wk = 0.0021097 k( 58) = ( 0.2821782 -0.2821782 0.2821782), wk = 0.0021097 k( 59) = ( 0.2871287 -0.2871287 0.2871287), wk = 0.0021097 k( 60) = ( 0.2920792 -0.2920792 0.2920792), wk = 0.0021097 k( 61) = ( 0.2970297 -0.2970297 0.2970297), wk = 0.0021097 k( 62) = ( 0.3019802 -0.3019802 0.3019802), wk = 0.0021097 k( 63) = ( 0.3069307 -0.3069307 0.3069307), wk = 0.0021097 k( 64) = ( 0.3118812 -0.3118812 0.3118812), wk = 0.0021097 k( 65) = ( 0.3168317 -0.3168317 0.3168317), wk = 0.0021097 k( 66) = ( 0.3217822 -0.3217822 0.3217822), wk = 0.0021097 k( 67) = ( 0.3267327 -0.3267327 0.3267327), wk = 0.0021097 k( 68) = ( 0.3316832 -0.3316832 0.3316832), wk = 0.0021097 k( 69) = ( 0.3366337 -0.3366337 0.3366337), wk = 0.0021097 k( 70) = ( 0.3415842 -0.3415842 0.3415842), wk = 0.0021097 k( 71) = ( 0.3465346 -0.3465346 0.3465346), wk = 0.0021097 k( 72) = ( 0.3514852 -0.3514852 0.3514852), wk = 0.0021097 k( 73) = ( 0.3564356 -0.3564356 0.3564356), wk = 0.0021097 k( 74) = ( 0.3613861 -0.3613861 0.3613861), wk = 0.0021097 k( 75) = ( 0.3663366 -0.3663366 0.3663366), wk = 0.0021097 k( 76) = ( 0.3712871 -0.3712871 0.3712871), wk = 0.0021097 k( 77) = ( 0.3762376 -0.3762376 0.3762376), wk = 0.0021097 k( 78) = ( 0.3811881 -0.3811881 0.3811881), wk = 0.0021097 k( 79) = ( 0.3861386 -0.3861386 0.3861386), wk = 0.0021097 k( 80) = ( 0.3910891 -0.3910891 0.3910891), wk = 0.0021097 k( 81) = ( 0.3960396 -0.3960396 0.3960396), wk = 0.0021097 k( 82) = ( 0.4009901 -0.4009901 0.4009901), wk = 0.0021097 k( 83) = ( 0.4059406 -0.4059406 0.4059406), wk = 0.0021097 k( 84) = ( 0.4108911 -0.4108911 0.4108911), wk = 0.0021097 k( 85) = ( 0.4158416 -0.4158416 0.4158416), wk = 0.0021097 k( 86) = ( 0.4207921 -0.4207921 0.4207921), wk = 0.0021097 k( 87) = ( 0.4257426 -0.4257426 0.4257426), wk = 0.0021097 k( 88) = ( 0.4306931 -0.4306931 0.4306931), wk = 0.0021097 k( 89) = ( 0.4356436 -0.4356436 0.4356436), wk = 0.0021097 k( 90) = ( 0.4405941 -0.4405941 0.4405941), wk = 0.0021097 k( 91) = ( 0.4455445 -0.4455445 0.4455445), wk = 0.0021097 k( 92) = ( 0.4504951 -0.4504950 0.4504951), wk = 0.0021097 k( 93) = ( 0.4554455 -0.4554455 0.4554455), wk = 0.0021097 k( 94) = ( 0.4603960 -0.4603960 0.4603960), wk = 0.0021097 k( 95) = ( 0.4653465 -0.4653465 0.4653465), wk = 0.0021097 k( 96) = ( 0.4702970 -0.4702970 0.4702970), wk = 0.0021097 k( 97) = ( 0.4752475 -0.4752475 0.4752475), wk = 0.0021097 k( 98) = ( 0.4801980 -0.4801980 0.4801980), wk = 0.0021097 k( 99) = ( 0.4851485 -0.4851485 0.4851485), wk = 0.0021097 k( 100) = ( 0.4900990 -0.4900990 0.4900990), wk = 0.0021097 k( 101) = ( 0.4950495 -0.4950495 0.4950495), wk = 0.0021097 k( 102) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021097 k( 103) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021097 k( 104) = ( 0.4929577 -0.4929577 0.5000000), wk = 0.0021097 k( 105) = ( 0.4859155 -0.4859155 0.5000000), wk = 0.0021097 k( 106) = ( 0.4788732 -0.4788732 0.5000000), wk = 0.0021097 k( 107) = ( 0.4718310 -0.4718310 0.5000000), wk = 0.0021097 k( 108) = ( 0.4647887 -0.4647887 0.5000000), wk = 0.0021097 k( 109) = ( 0.4577465 -0.4577465 0.5000000), wk = 0.0021097 k( 110) = ( 0.4507042 -0.4507042 0.5000000), wk = 0.0021097 k( 111) = ( 0.4436620 -0.4436620 0.5000000), wk = 0.0021097 k( 112) = ( 0.4366197 -0.4366197 0.5000000), wk = 0.0021097 k( 113) = ( 0.4295775 -0.4295775 0.5000000), wk = 0.0021097 k( 114) = ( 0.4225352 -0.4225352 0.5000000), wk = 0.0021097 k( 115) = ( 0.4154930 -0.4154930 0.5000000), wk = 0.0021097 k( 116) = ( 0.4084507 -0.4084507 0.5000000), wk = 0.0021097 k( 117) = ( 0.4014085 -0.4014084 0.5000000), wk = 0.0021097 k( 118) = ( 0.3943662 -0.3943662 0.5000000), wk = 0.0021097 k( 119) = ( 0.3873239 -0.3873239 0.5000000), wk = 0.0021097 k( 120) = ( 0.3802817 -0.3802817 0.5000000), wk = 0.0021097 k( 121) = ( 0.3732394 -0.3732394 0.5000000), wk = 0.0021097 k( 122) = ( 0.3661972 -0.3661972 0.5000000), wk = 0.0021097 k( 123) = ( 0.3591549 -0.3591549 0.5000000), wk = 0.0021097 k( 124) = ( 0.3521127 -0.3521127 0.5000000), wk = 0.0021097 k( 125) = ( 0.3450704 -0.3450704 0.5000000), wk = 0.0021097 k( 126) = ( 0.3380282 -0.3380282 0.5000000), wk = 0.0021097 k( 127) = ( 0.3309859 -0.3309859 0.5000000), wk = 0.0021097 k( 128) = ( 0.3239437 -0.3239437 0.5000000), wk = 0.0021097 k( 129) = ( 0.3169014 -0.3169014 0.5000000), wk = 0.0021097 k( 130) = ( 0.3098592 -0.3098592 0.5000000), wk = 0.0021097 k( 131) = ( 0.3028169 -0.3028169 0.5000000), wk = 0.0021097 k( 132) = ( 0.2957746 -0.2957746 0.5000000), wk = 0.0021097 k( 133) = ( 0.2887324 -0.2887324 0.5000000), wk = 0.0021097 k( 134) = ( 0.2816901 -0.2816901 0.5000000), wk = 0.0021097 k( 135) = ( 0.2746479 -0.2746479 0.5000000), wk = 0.0021097 k( 136) = ( 0.2676056 -0.2676056 0.5000000), wk = 0.0021097 k( 137) = ( 0.2605634 -0.2605634 0.5000000), wk = 0.0021097 k( 138) = ( 0.2535211 -0.2535211 0.5000000), wk = 0.0021097 k( 139) = ( 0.2464789 -0.2464789 0.5000000), wk = 0.0021097 k( 140) = ( 0.2394366 -0.2394366 0.5000000), wk = 0.0021097 k( 141) = ( 0.2323944 -0.2323944 0.5000000), wk = 0.0021097 k( 142) = ( 0.2253521 -0.2253521 0.5000000), wk = 0.0021097 k( 143) = ( 0.2183099 -0.2183099 0.5000000), wk = 0.0021097 k( 144) = ( 0.2112676 -0.2112676 0.5000000), wk = 0.0021097 k( 145) = ( 0.2042253 -0.2042253 0.5000000), wk = 0.0021097 k( 146) = ( 0.1971831 -0.1971831 0.5000000), wk = 0.0021097 k( 147) = ( 0.1901409 -0.1901409 0.5000000), wk = 0.0021097 k( 148) = ( 0.1830986 -0.1830986 0.5000000), wk = 0.0021097 k( 149) = ( 0.1760563 -0.1760563 0.5000000), wk = 0.0021097 k( 150) = ( 0.1690141 -0.1690141 0.5000000), wk = 0.0021097 k( 151) = ( 0.1619718 -0.1619718 0.5000000), wk = 0.0021097 k( 152) = ( 0.1549296 -0.1549296 0.5000000), wk = 0.0021097 k( 153) = ( 0.1478873 -0.1478873 0.5000000), wk = 0.0021097 k( 154) = ( 0.1408451 -0.1408451 0.5000000), wk = 0.0021097 k( 155) = ( 0.1338028 -0.1338028 0.5000000), wk = 0.0021097 k( 156) = ( 0.1267606 -0.1267606 0.5000000), wk = 0.0021097 k( 157) = ( 0.1197183 -0.1197183 0.5000000), wk = 0.0021097 k( 158) = ( 0.1126761 -0.1126761 0.5000000), wk = 0.0021097 k( 159) = ( 0.1056338 -0.1056338 0.5000000), wk = 0.0021097 k( 160) = ( 0.0985916 -0.0985915 0.5000000), wk = 0.0021097 k( 161) = ( 0.0915493 -0.0915493 0.5000000), wk = 0.0021097 k( 162) = ( 0.0845070 -0.0845070 0.5000000), wk = 0.0021097 k( 163) = ( 0.0774648 -0.0774648 0.5000000), wk = 0.0021097 k( 164) = ( 0.0704225 -0.0704225 0.5000000), wk = 0.0021097 k( 165) = ( 0.0633803 -0.0633803 0.5000000), wk = 0.0021097 k( 166) = ( 0.0563380 -0.0563380 0.5000000), wk = 0.0021097 k( 167) = ( 0.0492958 -0.0492958 0.5000000), wk = 0.0021097 k( 168) = ( 0.0422535 -0.0422535 0.5000000), wk = 0.0021097 k( 169) = ( 0.0352113 -0.0352113 0.5000000), wk = 0.0021097 k( 170) = ( 0.0281690 -0.0281690 0.5000000), wk = 0.0021097 k( 171) = ( 0.0211268 -0.0211268 0.5000000), wk = 0.0021097 k( 172) = ( 0.0140845 -0.0140845 0.5000000), wk = 0.0021097 k( 173) = ( 0.0070422 -0.0070422 0.5000000), wk = 0.0021097 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 176) = ( 0.0000000 0.0000000 0.4929577), wk = 0.0021097 k( 177) = ( 0.0000000 0.0000000 0.4859155), wk = 0.0021097 k( 178) = ( 0.0000000 0.0000000 0.4788732), wk = 0.0021097 k( 179) = ( 0.0000000 0.0000000 0.4718310), wk = 0.0021097 k( 180) = ( 0.0000000 0.0000000 0.4647887), wk = 0.0021097 k( 181) = ( 0.0000000 0.0000000 0.4577465), wk = 0.0021097 k( 182) = ( 0.0000000 0.0000000 0.4507042), wk = 0.0021097 k( 183) = ( 0.0000000 0.0000000 0.4436620), wk = 0.0021097 k( 184) = ( 0.0000000 0.0000000 0.4366197), wk = 0.0021097 k( 185) = ( 0.0000000 0.0000000 0.4295775), wk = 0.0021097 k( 186) = ( 0.0000000 0.0000000 0.4225352), wk = 0.0021097 k( 187) = ( 0.0000000 0.0000000 0.4154930), wk = 0.0021097 k( 188) = ( 0.0000000 0.0000000 0.4084507), wk = 0.0021097 k( 189) = ( 0.0000000 0.0000000 0.4014085), wk = 0.0021097 k( 190) = ( 0.0000000 0.0000000 0.3943662), wk = 0.0021097 k( 191) = ( 0.0000000 0.0000000 0.3873239), wk = 0.0021097 k( 192) = ( 0.0000000 0.0000000 0.3802817), wk = 0.0021097 k( 193) = ( 0.0000000 0.0000000 0.3732394), wk = 0.0021097 k( 194) = ( 0.0000000 0.0000000 0.3661972), wk = 0.0021097 k( 195) = ( 0.0000000 0.0000000 0.3591549), wk = 0.0021097 k( 196) = ( 0.0000000 0.0000000 0.3521127), wk = 0.0021097 k( 197) = ( 0.0000000 0.0000000 0.3450704), wk = 0.0021097 k( 198) = ( 0.0000000 0.0000000 0.3380282), wk = 0.0021097 k( 199) = ( 0.0000000 0.0000000 0.3309859), wk = 0.0021097 k( 200) = ( 0.0000000 0.0000000 0.3239437), wk = 0.0021097 k( 201) = ( 0.0000000 0.0000000 0.3169014), wk = 0.0021097 k( 202) = ( 0.0000000 0.0000000 0.3098592), wk = 0.0021097 k( 203) = ( 0.0000000 0.0000000 0.3028169), wk = 0.0021097 k( 204) = ( 0.0000000 0.0000000 0.2957746), wk = 0.0021097 k( 205) = ( 0.0000000 0.0000000 0.2887324), wk = 0.0021097 k( 206) = ( 0.0000000 0.0000000 0.2816901), wk = 0.0021097 k( 207) = ( 0.0000000 0.0000000 0.2746479), wk = 0.0021097 k( 208) = ( 0.0000000 0.0000000 0.2676056), wk = 0.0021097 k( 209) = ( 0.0000000 0.0000000 0.2605634), wk = 0.0021097 k( 210) = ( 0.0000000 0.0000000 0.2535211), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.2464789), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.2394366), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.2323944), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.2253521), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.2183099), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.2112676), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.2042253), wk = 0.0021097 k( 218) = ( 0.0000000 0.0000000 0.1971831), wk = 0.0021097 k( 219) = ( 0.0000000 0.0000000 0.1901409), wk = 0.0021097 k( 220) = ( 0.0000000 0.0000000 0.1830986), wk = 0.0021097 k( 221) = ( 0.0000000 0.0000000 0.1760563), wk = 0.0021097 k( 222) = ( 0.0000000 0.0000000 0.1690141), wk = 0.0021097 k( 223) = ( 0.0000000 0.0000000 0.1619718), wk = 0.0021097 k( 224) = ( 0.0000000 0.0000000 0.1549296), wk = 0.0021097 k( 225) = ( 0.0000000 0.0000000 0.1478873), wk = 0.0021097 k( 226) = ( 0.0000000 0.0000000 0.1408451), wk = 0.0021097 k( 227) = ( 0.0000000 0.0000000 0.1338028), wk = 0.0021097 k( 228) = ( 0.0000000 0.0000000 0.1267606), wk = 0.0021097 k( 229) = ( 0.0000000 0.0000000 0.1197183), wk = 0.0021097 k( 230) = ( 0.0000000 0.0000000 0.1126761), wk = 0.0021097 k( 231) = ( 0.0000000 0.0000000 0.1056338), wk = 0.0021097 k( 232) = ( 0.0000000 0.0000000 0.0985916), wk = 0.0021097 k( 233) = ( 0.0000000 0.0000000 0.0915493), wk = 0.0021097 k( 234) = ( 0.0000000 0.0000000 0.0845070), wk = 0.0021097 k( 235) = ( 0.0000000 0.0000000 0.0774648), wk = 0.0021097 k( 236) = ( 0.0000000 0.0000000 0.0704225), wk = 0.0021097 k( 237) = ( 0.0000000 0.0000000 0.0633803), wk = 0.0021097 k( 238) = ( 0.0000000 0.0000000 0.0563380), wk = 0.0021097 k( 239) = ( 0.0000000 0.0000000 0.0492958), wk = 0.0021097 k( 240) = ( 0.0000000 0.0000000 0.0422535), wk = 0.0021097 k( 241) = ( 0.0000000 0.0000000 0.0352113), wk = 0.0021097 k( 242) = ( 0.0000000 0.0000000 0.0281690), wk = 0.0021097 k( 243) = ( 0.0000000 0.0000000 0.0211268), wk = 0.0021097 k( 244) = ( 0.0000000 0.0000000 0.0140845), wk = 0.0021097 k( 245) = ( 0.0000000 0.0000000 0.0070422), wk = 0.0021097 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 248) = ( 0.0028736 0.0028736 0.0028736), wk = 0.0021097 k( 249) = ( 0.0057471 0.0057471 0.0057471), wk = 0.0021097 k( 250) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0021097 k( 251) = ( 0.0114942 0.0114942 0.0114942), wk = 0.0021097 k( 252) = ( 0.0143678 0.0143678 0.0143678), wk = 0.0021097 k( 253) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0021097 k( 254) = ( 0.0201149 0.0201149 0.0201149), wk = 0.0021097 k( 255) = ( 0.0229885 0.0229885 0.0229885), wk = 0.0021097 k( 256) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0021097 k( 257) = ( 0.0287356 0.0287356 0.0287356), wk = 0.0021097 k( 258) = ( 0.0316092 0.0316092 0.0316092), wk = 0.0021097 k( 259) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0021097 k( 260) = ( 0.0373563 0.0373563 0.0373563), wk = 0.0021097 k( 261) = ( 0.0402299 0.0402299 0.0402299), wk = 0.0021097 k( 262) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0021097 k( 263) = ( 0.0459770 0.0459770 0.0459770), wk = 0.0021097 k( 264) = ( 0.0488506 0.0488506 0.0488506), wk = 0.0021097 k( 265) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0021097 k( 266) = ( 0.0545977 0.0545977 0.0545977), wk = 0.0021097 k( 267) = ( 0.0574713 0.0574713 0.0574713), wk = 0.0021097 k( 268) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0021097 k( 269) = ( 0.0632184 0.0632184 0.0632184), wk = 0.0021097 k( 270) = ( 0.0660919 0.0660919 0.0660919), wk = 0.0021097 k( 271) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0021097 k( 272) = ( 0.0718391 0.0718391 0.0718391), wk = 0.0021097 k( 273) = ( 0.0747126 0.0747126 0.0747126), wk = 0.0021097 k( 274) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0021097 k( 275) = ( 0.0804598 0.0804598 0.0804598), wk = 0.0021097 k( 276) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0021097 k( 277) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0021097 k( 278) = ( 0.0890805 0.0890805 0.0890805), wk = 0.0021097 k( 279) = ( 0.0919540 0.0919540 0.0919540), wk = 0.0021097 k( 280) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0021097 k( 281) = ( 0.0977012 0.0977012 0.0977012), wk = 0.0021097 k( 282) = ( 0.1005747 0.1005747 0.1005747), wk = 0.0021097 k( 283) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0021097 k( 284) = ( 0.1063218 0.1063218 0.1063218), wk = 0.0021097 k( 285) = ( 0.1091954 0.1091954 0.1091954), wk = 0.0021097 k( 286) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0021097 k( 287) = ( 0.1149425 0.1149425 0.1149425), wk = 0.0021097 k( 288) = ( 0.1178161 0.1178161 0.1178161), wk = 0.0021097 k( 289) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0021097 k( 290) = ( 0.1235632 0.1235632 0.1235632), wk = 0.0021097 k( 291) = ( 0.1264368 0.1264368 0.1264368), wk = 0.0021097 k( 292) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0021097 k( 293) = ( 0.1321839 0.1321839 0.1321839), wk = 0.0021097 k( 294) = ( 0.1350575 0.1350575 0.1350575), wk = 0.0021097 k( 295) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0021097 k( 296) = ( 0.1408046 0.1408046 0.1408046), wk = 0.0021097 k( 297) = ( 0.1436782 0.1436782 0.1436782), wk = 0.0021097 k( 298) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0021097 k( 299) = ( 0.1494253 0.1494253 0.1494253), wk = 0.0021097 k( 300) = ( 0.1522989 0.1522989 0.1522989), wk = 0.0021097 k( 301) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0021097 k( 302) = ( 0.1580460 0.1580460 0.1580460), wk = 0.0021097 k( 303) = ( 0.1609195 0.1609195 0.1609195), wk = 0.0021097 k( 304) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0021097 k( 305) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021097 k( 306) = ( 0.1695402 0.1695402 0.1695402), wk = 0.0021097 k( 307) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0021097 k( 308) = ( 0.1752874 0.1752874 0.1752874), wk = 0.0021097 k( 309) = ( 0.1781609 0.1781609 0.1781609), wk = 0.0021097 k( 310) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0021097 k( 311) = ( 0.1839080 0.1839080 0.1839080), wk = 0.0021097 k( 312) = ( 0.1867816 0.1867816 0.1867816), wk = 0.0021097 k( 313) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0021097 k( 314) = ( 0.1925287 0.1925287 0.1925287), wk = 0.0021097 k( 315) = ( 0.1954023 0.1954023 0.1954023), wk = 0.0021097 k( 316) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0021097 k( 317) = ( 0.2011494 0.2011494 0.2011494), wk = 0.0021097 k( 318) = ( 0.2040230 0.2040230 0.2040230), wk = 0.0021097 k( 319) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0021097 k( 320) = ( 0.2097701 0.2097701 0.2097701), wk = 0.0021097 k( 321) = ( 0.2126437 0.2126437 0.2126437), wk = 0.0021097 k( 322) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0021097 k( 323) = ( 0.2183908 0.2183908 0.2183908), wk = 0.0021097 k( 324) = ( 0.2212644 0.2212644 0.2212644), wk = 0.0021097 k( 325) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0021097 k( 326) = ( 0.2270115 0.2270115 0.2270115), wk = 0.0021097 k( 327) = ( 0.2298851 0.2298851 0.2298851), wk = 0.0021097 k( 328) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0021097 k( 329) = ( 0.2356322 0.2356322 0.2356322), wk = 0.0021097 k( 330) = ( 0.2385057 0.2385057 0.2385057), wk = 0.0021097 k( 331) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0021097 k( 332) = ( 0.2442529 0.2442529 0.2442529), wk = 0.0021097 k( 333) = ( 0.2471264 0.2471264 0.2471264), wk = 0.0021097 k( 334) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021097 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021097 k( 336) = ( 0.2528736 0.2413793 0.2528736), wk = 0.0021097 k( 337) = ( 0.2557471 0.2327586 0.2557471), wk = 0.0021097 k( 338) = ( 0.2586207 0.2241379 0.2586207), wk = 0.0021097 k( 339) = ( 0.2614942 0.2155172 0.2614942), wk = 0.0021097 k( 340) = ( 0.2643678 0.2068965 0.2643678), wk = 0.0021097 k( 341) = ( 0.2672414 0.1982759 0.2672414), wk = 0.0021097 k( 342) = ( 0.2701149 0.1896552 0.2701149), wk = 0.0021097 k( 343) = ( 0.2729885 0.1810345 0.2729885), wk = 0.0021097 k( 344) = ( 0.2758621 0.1724138 0.2758621), wk = 0.0021097 k( 345) = ( 0.2787356 0.1637931 0.2787356), wk = 0.0021097 k( 346) = ( 0.2816092 0.1551724 0.2816092), wk = 0.0021097 k( 347) = ( 0.2844828 0.1465517 0.2844828), wk = 0.0021097 k( 348) = ( 0.2873563 0.1379310 0.2873563), wk = 0.0021097 k( 349) = ( 0.2902299 0.1293103 0.2902299), wk = 0.0021097 k( 350) = ( 0.2931034 0.1206897 0.2931034), wk = 0.0021097 k( 351) = ( 0.2959770 0.1120690 0.2959770), wk = 0.0021097 k( 352) = ( 0.2988506 0.1034483 0.2988506), wk = 0.0021097 k( 353) = ( 0.3017241 0.0948276 0.3017241), wk = 0.0021097 k( 354) = ( 0.3045977 0.0862069 0.3045977), wk = 0.0021097 k( 355) = ( 0.3074713 0.0775862 0.3074713), wk = 0.0021097 k( 356) = ( 0.3103448 0.0689655 0.3103448), wk = 0.0021097 k( 357) = ( 0.3132184 0.0603448 0.3132184), wk = 0.0021097 k( 358) = ( 0.3160920 0.0517241 0.3160920), wk = 0.0021097 k( 359) = ( 0.3189655 0.0431035 0.3189655), wk = 0.0021097 k( 360) = ( 0.3218391 0.0344828 0.3218391), wk = 0.0021097 k( 361) = ( 0.3247126 0.0258621 0.3247126), wk = 0.0021097 k( 362) = ( 0.3275862 0.0172414 0.3275862), wk = 0.0021097 k( 363) = ( 0.3304598 0.0086207 0.3304598), wk = 0.0021097 k( 364) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0021097 k( 365) = ( 0.3362069 -0.0086207 0.3362069), wk = 0.0021097 k( 366) = ( 0.3390805 -0.0172414 0.3390805), wk = 0.0021097 k( 367) = ( 0.3419540 -0.0258621 0.3419540), wk = 0.0021097 k( 368) = ( 0.3448276 -0.0344828 0.3448276), wk = 0.0021097 k( 369) = ( 0.3477012 -0.0431034 0.3477012), wk = 0.0021097 k( 370) = ( 0.3505747 -0.0517241 0.3505747), wk = 0.0021097 k( 371) = ( 0.3534483 -0.0603448 0.3534483), wk = 0.0021097 k( 372) = ( 0.3563218 -0.0689655 0.3563218), wk = 0.0021097 k( 373) = ( 0.3591954 -0.0775862 0.3591954), wk = 0.0021097 k( 374) = ( 0.3620690 -0.0862069 0.3620690), wk = 0.0021097 k( 375) = ( 0.3649425 -0.0948276 0.3649425), wk = 0.0021097 k( 376) = ( 0.3678161 -0.1034483 0.3678161), wk = 0.0021097 k( 377) = ( 0.3706897 -0.1120690 0.3706897), wk = 0.0021097 k( 378) = ( 0.3735632 -0.1206897 0.3735632), wk = 0.0021097 k( 379) = ( 0.3764368 -0.1293103 0.3764368), wk = 0.0021097 k( 380) = ( 0.3793103 -0.1379310 0.3793103), wk = 0.0021097 k( 381) = ( 0.3821839 -0.1465517 0.3821839), wk = 0.0021097 k( 382) = ( 0.3850575 -0.1551724 0.3850575), wk = 0.0021097 k( 383) = ( 0.3879310 -0.1637931 0.3879310), wk = 0.0021097 k( 384) = ( 0.3908046 -0.1724138 0.3908046), wk = 0.0021097 k( 385) = ( 0.3936782 -0.1810345 0.3936782), wk = 0.0021097 k( 386) = ( 0.3965517 -0.1896552 0.3965517), wk = 0.0021097 k( 387) = ( 0.3994253 -0.1982759 0.3994253), wk = 0.0021097 k( 388) = ( 0.4022988 -0.2068966 0.4022988), wk = 0.0021097 k( 389) = ( 0.4051724 -0.2155172 0.4051724), wk = 0.0021097 k( 390) = ( 0.4080460 -0.2241379 0.4080460), wk = 0.0021097 k( 391) = ( 0.4109195 -0.2327586 0.4109195), wk = 0.0021097 k( 392) = ( 0.4137931 -0.2413793 0.4137931), wk = 0.0021097 k( 393) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0021097 k( 394) = ( 0.4195402 -0.2586207 0.4195402), wk = 0.0021097 k( 395) = ( 0.4224138 -0.2672414 0.4224138), wk = 0.0021097 k( 396) = ( 0.4252874 -0.2758621 0.4252874), wk = 0.0021097 k( 397) = ( 0.4281609 -0.2844828 0.4281609), wk = 0.0021097 k( 398) = ( 0.4310345 -0.2931034 0.4310345), wk = 0.0021097 k( 399) = ( 0.4339080 -0.3017241 0.4339080), wk = 0.0021097 k( 400) = ( 0.4367816 -0.3103448 0.4367816), wk = 0.0021097 k( 401) = ( 0.4396552 -0.3189655 0.4396552), wk = 0.0021097 k( 402) = ( 0.4425287 -0.3275862 0.4425287), wk = 0.0021097 k( 403) = ( 0.4454023 -0.3362069 0.4454023), wk = 0.0021097 k( 404) = ( 0.4482759 -0.3448276 0.4482759), wk = 0.0021097 k( 405) = ( 0.4511494 -0.3534483 0.4511494), wk = 0.0021097 k( 406) = ( 0.4540230 -0.3620690 0.4540230), wk = 0.0021097 k( 407) = ( 0.4568966 -0.3706897 0.4568966), wk = 0.0021097 k( 408) = ( 0.4597701 -0.3793103 0.4597701), wk = 0.0021097 k( 409) = ( 0.4626437 -0.3879310 0.4626437), wk = 0.0021097 k( 410) = ( 0.4655172 -0.3965517 0.4655172), wk = 0.0021097 k( 411) = ( 0.4683908 -0.4051724 0.4683908), wk = 0.0021097 k( 412) = ( 0.4712644 -0.4137931 0.4712644), wk = 0.0021097 k( 413) = ( 0.4741379 -0.4224138 0.4741379), wk = 0.0021097 k( 414) = ( 0.4770115 -0.4310345 0.4770115), wk = 0.0021097 k( 415) = ( 0.4798851 -0.4396552 0.4798851), wk = 0.0021097 k( 416) = ( 0.4827586 -0.4482759 0.4827586), wk = 0.0021097 k( 417) = ( 0.4856322 -0.4568965 0.4856322), wk = 0.0021097 k( 418) = ( 0.4885058 -0.4655172 0.4885058), wk = 0.0021097 k( 419) = ( 0.4913793 -0.4741379 0.4913793), wk = 0.0021097 k( 420) = ( 0.4942529 -0.4827586 0.4942529), wk = 0.0021097 k( 421) = ( 0.4971264 -0.4913793 0.4971264), wk = 0.0021097 k( 422) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021097 k( 423) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021097 k( 424) = ( 0.2450980 0.2450980 0.2549020), wk = 0.0021097 k( 425) = ( 0.2401961 0.2401961 0.2598039), wk = 0.0021097 k( 426) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0021097 k( 427) = ( 0.2303922 0.2303922 0.2696078), wk = 0.0021097 k( 428) = ( 0.2254902 0.2254902 0.2745098), wk = 0.0021097 k( 429) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0021097 k( 430) = ( 0.2156863 0.2156863 0.2843137), wk = 0.0021097 k( 431) = ( 0.2107843 0.2107843 0.2892157), wk = 0.0021097 k( 432) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0021097 k( 433) = ( 0.2009804 0.2009804 0.2990196), wk = 0.0021097 k( 434) = ( 0.1960784 0.1960784 0.3039216), wk = 0.0021097 k( 435) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0021097 k( 436) = ( 0.1862745 0.1862745 0.3137255), wk = 0.0021097 k( 437) = ( 0.1813725 0.1813725 0.3186274), wk = 0.0021097 k( 438) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0021097 k( 439) = ( 0.1715686 0.1715686 0.3284314), wk = 0.0021097 k( 440) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0021097 k( 441) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0021097 k( 442) = ( 0.1568627 0.1568627 0.3431372), wk = 0.0021097 k( 443) = ( 0.1519608 0.1519608 0.3480392), wk = 0.0021097 k( 444) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0021097 k( 445) = ( 0.1421569 0.1421569 0.3578431), wk = 0.0021097 k( 446) = ( 0.1372549 0.1372549 0.3627451), wk = 0.0021097 k( 447) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0021097 k( 448) = ( 0.1274510 0.1274510 0.3725490), wk = 0.0021097 k( 449) = ( 0.1225490 0.1225490 0.3774510), wk = 0.0021097 k( 450) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0021097 k( 451) = ( 0.1127451 0.1127451 0.3872549), wk = 0.0021097 k( 452) = ( 0.1078431 0.1078431 0.3921569), wk = 0.0021097 k( 453) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0021097 k( 454) = ( 0.0980392 0.0980392 0.4019608), wk = 0.0021097 k( 455) = ( 0.0931373 0.0931373 0.4068628), wk = 0.0021097 k( 456) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0021097 k( 457) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0021097 k( 458) = ( 0.0784314 0.0784314 0.4215686), wk = 0.0021097 k( 459) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0021097 k( 460) = ( 0.0686275 0.0686275 0.4313725), wk = 0.0021097 k( 461) = ( 0.0637255 0.0637255 0.4362745), wk = 0.0021097 k( 462) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0021097 k( 463) = ( 0.0539216 0.0539216 0.4460784), wk = 0.0021097 k( 464) = ( 0.0490196 0.0490196 0.4509804), wk = 0.0021097 k( 465) = ( 0.0441177 0.0441176 0.4558823), wk = 0.0021097 k( 466) = ( 0.0392157 0.0392157 0.4607843), wk = 0.0021097 k( 467) = ( 0.0343137 0.0343137 0.4656863), wk = 0.0021097 k( 468) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0021097 k( 469) = ( 0.0245098 0.0245098 0.4754902), wk = 0.0021097 k( 470) = ( 0.0196078 0.0196078 0.4803922), wk = 0.0021097 k( 471) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0021097 k( 472) = ( 0.0098039 0.0098039 0.4901961), wk = 0.0021097 k( 473) = ( 0.0049020 0.0049020 0.4950980), wk = 0.0021097 k( 474) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 Dense grid: 9453 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 5017 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 40, 22) NL pseudopotentials 0.01 Mb ( 20, 34) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 264) G-vector shells 0.00 Mb ( 81) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 40, 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 : ./Mo.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.8 secs Computing kpt #: 13 total cpu time spent up to now is 2.9 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.0 secs Computing kpt #: 17 total cpu time spent up to now is 3.1 secs Computing kpt #: 18 total cpu time spent up to now is 3.1 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.2 secs Computing kpt #: 21 total cpu time spent up to now is 3.3 secs Computing kpt #: 22 total cpu time spent up to now is 3.4 secs Computing kpt #: 23 total cpu time spent up to now is 3.4 secs Computing kpt #: 24 total cpu time spent up to now is 3.5 secs Computing kpt #: 25 total cpu time spent up to now is 3.5 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.7 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.8 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 3.9 secs Computing kpt #: 34 total cpu time spent up to now is 4.0 secs Computing kpt #: 35 total cpu time spent up to now is 4.1 secs Computing kpt #: 36 total cpu time spent up to now is 4.1 secs Computing kpt #: 37 total cpu time spent up to now is 4.2 secs Computing kpt #: 38 total cpu time spent up to now is 4.3 secs Computing kpt #: 39 total cpu time spent up to now is 4.3 secs Computing kpt #: 40 total cpu time spent up to now is 4.4 secs Computing kpt #: 41 total cpu time spent up to now is 4.5 secs Computing kpt #: 42 total cpu time spent up to now is 4.5 secs Computing kpt #: 43 total cpu time spent up to now is 4.6 secs Computing kpt #: 44 total cpu time spent up to now is 4.7 secs Computing kpt #: 45 total cpu time spent up to now is 4.7 secs Computing kpt #: 46 total cpu time spent up to now is 4.8 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.9 secs Computing kpt #: 49 total cpu time spent up to now is 4.9 secs Computing kpt #: 50 total cpu time spent up to now is 5.0 secs Computing kpt #: 51 total cpu time spent up to now is 5.0 secs Computing kpt #: 52 total cpu time spent up to now is 5.1 secs Computing kpt #: 53 total cpu time spent up to now is 5.1 secs Computing kpt #: 54 total cpu time spent up to now is 5.2 secs Computing kpt #: 55 total cpu time spent up to now is 5.2 secs Computing kpt #: 56 total cpu time spent up to now is 5.3 secs Computing kpt #: 57 total cpu time spent up to now is 5.3 secs Computing kpt #: 58 total cpu time spent up to now is 5.4 secs Computing kpt #: 59 total cpu time spent up to now is 5.4 secs Computing kpt #: 60 total cpu time spent up to now is 5.5 secs Computing kpt #: 61 total cpu time spent up to now is 5.6 secs Computing kpt #: 62 total cpu time spent up to now is 5.7 secs Computing kpt #: 63 total cpu time spent up to now is 5.8 secs Computing kpt #: 64 total cpu time spent up to now is 5.9 secs Computing kpt #: 65 total cpu time spent up to now is 5.9 secs Computing kpt #: 66 total cpu time spent up to now is 6.0 secs Computing kpt #: 67 total cpu time spent up to now is 6.1 secs Computing kpt #: 68 total cpu time spent up to now is 6.2 secs Computing kpt #: 69 total cpu time spent up to now is 6.2 secs Computing kpt #: 70 total cpu time spent up to now is 6.3 secs Computing kpt #: 71 total cpu time spent up to now is 6.4 secs Computing kpt #: 72 total cpu time spent up to now is 6.4 secs Computing kpt #: 73 total cpu time spent up to now is 6.5 secs Computing kpt #: 74 total cpu time spent up to now is 6.6 secs Computing kpt #: 75 total cpu time spent up to now is 6.6 secs Computing kpt #: 76 total cpu time spent up to now is 6.7 secs Computing kpt #: 77 total cpu time spent up to now is 6.8 secs Computing kpt #: 78 total cpu time spent up to now is 6.8 secs Computing kpt #: 79 total cpu time spent up to now is 6.9 secs Computing kpt #: 80 total cpu time spent up to now is 6.9 secs Computing kpt #: 81 total cpu time spent up to now is 7.0 secs Computing kpt #: 82 total cpu time spent up to now is 7.1 secs Computing kpt #: 83 total cpu time spent up to now is 7.1 secs Computing kpt #: 84 total cpu time spent up to now is 7.2 secs Computing kpt #: 85 total cpu time spent up to now is 7.2 secs Computing kpt #: 86 total cpu time spent up to now is 7.2 secs Computing kpt #: 87 total cpu time spent up to now is 7.3 secs Computing kpt #: 88 total cpu time spent up to now is 7.3 secs Computing kpt #: 89 total cpu time spent up to now is 7.4 secs Computing kpt #: 90 total cpu time spent up to now is 7.4 secs Computing kpt #: 91 total cpu time spent up to now is 7.5 secs Computing kpt #: 92 total cpu time spent up to now is 7.5 secs Computing kpt #: 93 total cpu time spent up to now is 7.5 secs Computing kpt #: 94 total cpu time spent up to now is 7.6 secs Computing kpt #: 95 total cpu time spent up to now is 7.6 secs Computing kpt #: 96 total cpu time spent up to now is 7.7 secs Computing kpt #: 97 total cpu time spent up to now is 7.7 secs Computing kpt #: 98 total cpu time spent up to now is 7.8 secs Computing kpt #: 99 total cpu time spent up to now is 7.9 secs Computing kpt #: 100 total cpu time spent up to now is 7.9 secs Computing kpt #: 101 total cpu time spent up to now is 8.0 secs Computing kpt #: 102 total cpu time spent up to now is 8.0 secs Computing kpt #: 103 total cpu time spent up to now is 8.1 secs Computing kpt #: 104 total cpu time spent up to now is 8.2 secs Computing kpt #: 105 total cpu time spent up to now is 8.2 secs Computing kpt #: 106 total cpu time spent up to now is 8.3 secs Computing kpt #: 107 total cpu time spent up to now is 8.4 secs Computing kpt #: 108 total cpu time spent up to now is 8.4 secs Computing kpt #: 109 total cpu time spent up to now is 8.5 secs Computing kpt #: 110 total cpu time spent up to now is 8.5 secs Computing kpt #: 111 total cpu time spent up to now is 8.6 secs Computing kpt #: 112 total cpu time spent up to now is 8.7 secs Computing kpt #: 113 total cpu time spent up to now is 8.7 secs Computing kpt #: 114 total cpu time spent up to now is 8.8 secs Computing kpt #: 115 total cpu time spent up to now is 8.8 secs Computing kpt #: 116 total cpu time spent up to now is 8.9 secs Computing kpt #: 117 total cpu time spent up to now is 9.0 secs Computing kpt #: 118 total cpu time spent up to now is 9.0 secs Computing kpt #: 119 total cpu time spent up to now is 9.1 secs Computing kpt #: 120 total cpu time spent up to now is 9.1 secs Computing kpt #: 121 total cpu time spent up to now is 9.2 secs Computing kpt #: 122 total cpu time spent up to now is 9.2 secs Computing kpt #: 123 total cpu time spent up to now is 9.3 secs Computing kpt #: 124 total cpu time spent up to now is 9.3 secs Computing kpt #: 125 total cpu time spent up to now is 9.4 secs Computing kpt #: 126 total cpu time spent up to now is 9.4 secs Computing kpt #: 127 total cpu time spent up to now is 9.5 secs Computing kpt #: 128 total cpu time spent up to now is 9.5 secs Computing kpt #: 129 total cpu time spent up to now is 9.6 secs Computing kpt #: 130 total cpu time spent up to now is 9.6 secs Computing kpt #: 131 total cpu time spent up to now is 9.7 secs Computing kpt #: 132 total cpu time spent up to now is 9.7 secs Computing kpt #: 133 total cpu time spent up to now is 9.8 secs Computing kpt #: 134 total cpu time spent up to now is 9.8 secs Computing kpt #: 135 total cpu time spent up to now is 9.9 secs Computing kpt #: 136 total cpu time spent up to now is 9.9 secs Computing kpt #: 137 total cpu time spent up to now is 10.0 secs Computing kpt #: 138 total cpu time spent up to now is 10.0 secs Computing kpt #: 139 total cpu time spent up to now is 10.1 secs Computing kpt #: 140 total cpu time spent up to now is 10.1 secs Computing kpt #: 141 total cpu time spent up to now is 10.2 secs Computing kpt #: 142 total cpu time spent up to now is 10.2 secs Computing kpt #: 143 total cpu time spent up to now is 10.2 secs Computing kpt #: 144 total cpu time spent up to now is 10.3 secs Computing kpt #: 145 total cpu time spent up to now is 10.3 secs Computing kpt #: 146 total cpu time spent up to now is 10.4 secs Computing kpt #: 147 total cpu time spent up to now is 10.4 secs Computing kpt #: 148 total cpu time spent up to now is 10.5 secs Computing kpt #: 149 total cpu time spent up to now is 10.5 secs Computing kpt #: 150 total cpu time spent up to now is 10.5 secs Computing kpt #: 151 total cpu time spent up to now is 10.6 secs Computing kpt #: 152 total cpu time spent up to now is 10.6 secs Computing kpt #: 153 total cpu time spent up to now is 10.7 secs Computing kpt #: 154 total cpu time spent up to now is 10.7 secs Computing kpt #: 155 total cpu time spent up to now is 10.8 secs Computing kpt #: 156 total cpu time spent up to now is 10.8 secs Computing kpt #: 157 total cpu time spent up to now is 10.8 secs Computing kpt #: 158 total cpu time spent up to now is 10.9 secs Computing kpt #: 159 total cpu time spent up to now is 10.9 secs Computing kpt #: 160 total cpu time spent up to now is 11.0 secs Computing kpt #: 161 total cpu time spent up to now is 11.0 secs Computing kpt #: 162 total cpu time spent up to now is 11.1 secs Computing kpt #: 163 total cpu time spent up to now is 11.1 secs Computing kpt #: 164 total cpu time spent up to now is 11.2 secs Computing kpt #: 165 total cpu time spent up to now is 11.2 secs Computing kpt #: 166 total cpu time spent up to now is 11.3 secs Computing kpt #: 167 total cpu time spent up to now is 11.3 secs Computing kpt #: 168 total cpu time spent up to now is 11.4 secs Computing kpt #: 169 total cpu time spent up to now is 11.5 secs Computing kpt #: 170 total cpu time spent up to now is 11.5 secs Computing kpt #: 171 total cpu time spent up to now is 11.6 secs Computing kpt #: 172 total cpu time spent up to now is 11.6 secs Computing kpt #: 173 total cpu time spent up to now is 11.7 secs Computing kpt #: 174 total cpu time spent up to now is 11.7 secs Computing kpt #: 175 total cpu time spent up to now is 11.7 secs Computing kpt #: 176 total cpu time spent up to now is 11.8 secs Computing kpt #: 177 total cpu time spent up to now is 11.8 secs Computing kpt #: 178 total cpu time spent up to now is 11.9 secs Computing kpt #: 179 total cpu time spent up to now is 12.0 secs Computing kpt #: 180 total cpu time spent up to now is 12.0 secs Computing kpt #: 181 total cpu time spent up to now is 12.1 secs Computing kpt #: 182 total cpu time spent up to now is 12.1 secs Computing kpt #: 183 total cpu time spent up to now is 12.2 secs Computing kpt #: 184 total cpu time spent up to now is 12.2 secs Computing kpt #: 185 total cpu time spent up to now is 12.3 secs Computing kpt #: 186 total cpu time spent up to now is 12.4 secs Computing kpt #: 187 total cpu time spent up to now is 12.4 secs Computing kpt #: 188 total cpu time spent up to now is 12.5 secs Computing kpt #: 189 total cpu time spent up to now is 12.6 secs Computing kpt #: 190 total cpu time spent up to now is 12.6 secs Computing kpt #: 191 total cpu time spent up to now is 12.7 secs Computing kpt #: 192 total cpu time spent up to now is 12.7 secs Computing kpt #: 193 total cpu time spent up to now is 12.8 secs Computing kpt #: 194 total cpu time spent up to now is 12.9 secs Computing kpt #: 195 total cpu time spent up to now is 12.9 secs Computing kpt #: 196 total cpu time spent up to now is 13.0 secs Computing kpt #: 197 total cpu time spent up to now is 13.0 secs Computing kpt #: 198 total cpu time spent up to now is 13.1 secs Computing kpt #: 199 total cpu time spent up to now is 13.2 secs Computing kpt #: 200 total cpu time spent up to now is 13.2 secs Computing kpt #: 201 total cpu time spent up to now is 13.3 secs Computing kpt #: 202 total cpu time spent up to now is 13.3 secs Computing kpt #: 203 total cpu time spent up to now is 13.4 secs Computing kpt #: 204 total cpu time spent up to now is 13.4 secs Computing kpt #: 205 total cpu time spent up to now is 13.5 secs Computing kpt #: 206 total cpu time spent up to now is 13.5 secs Computing kpt #: 207 total cpu time spent up to now is 13.6 secs Computing kpt #: 208 total cpu time spent up to now is 13.6 secs Computing kpt #: 209 total cpu time spent up to now is 13.7 secs Computing kpt #: 210 total cpu time spent up to now is 13.7 secs Computing kpt #: 211 total cpu time spent up to now is 13.8 secs Computing kpt #: 212 total cpu time spent up to now is 13.8 secs Computing kpt #: 213 total cpu time spent up to now is 13.9 secs Computing kpt #: 214 total cpu time spent up to now is 13.9 secs Computing kpt #: 215 total cpu time spent up to now is 14.0 secs Computing kpt #: 216 total cpu time spent up to now is 14.0 secs Computing kpt #: 217 total cpu time spent up to now is 14.1 secs Computing kpt #: 218 total cpu time spent up to now is 14.2 secs Computing kpt #: 219 total cpu time spent up to now is 14.2 secs Computing kpt #: 220 total cpu time spent up to now is 14.3 secs Computing kpt #: 221 total cpu time spent up to now is 14.3 secs Computing kpt #: 222 total cpu time spent up to now is 14.4 secs Computing kpt #: 223 total cpu time spent up to now is 14.5 secs Computing kpt #: 224 total cpu time spent up to now is 14.5 secs Computing kpt #: 225 total cpu time spent up to now is 14.6 secs Computing kpt #: 226 total cpu time spent up to now is 14.7 secs Computing kpt #: 227 total cpu time spent up to now is 14.8 secs Computing kpt #: 228 total cpu time spent up to now is 14.8 secs Computing kpt #: 229 total cpu time spent up to now is 14.9 secs Computing kpt #: 230 total cpu time spent up to now is 15.0 secs Computing kpt #: 231 total cpu time spent up to now is 15.1 secs Computing kpt #: 232 total cpu time spent up to now is 15.1 secs Computing kpt #: 233 total cpu time spent up to now is 15.2 secs Computing kpt #: 234 total cpu time spent up to now is 15.3 secs Computing kpt #: 235 total cpu time spent up to now is 15.4 secs Computing kpt #: 236 total cpu time spent up to now is 15.5 secs Computing kpt #: 237 total cpu time spent up to now is 15.5 secs Computing kpt #: 238 total cpu time spent up to now is 15.6 secs Computing kpt #: 239 total cpu time spent up to now is 15.7 secs Computing kpt #: 240 total cpu time spent up to now is 15.8 secs Computing kpt #: 241 total cpu time spent up to now is 15.9 secs Computing kpt #: 242 total cpu time spent up to now is 16.0 secs Computing kpt #: 243 total cpu time spent up to now is 16.1 secs Computing kpt #: 244 total cpu time spent up to now is 16.2 secs Computing kpt #: 245 total cpu time spent up to now is 16.3 secs Computing kpt #: 246 total cpu time spent up to now is 16.3 secs Computing kpt #: 247 total cpu time spent up to now is 16.3 secs Computing kpt #: 248 total cpu time spent up to now is 16.4 secs Computing kpt #: 249 total cpu time spent up to now is 16.5 secs Computing kpt #: 250 total cpu time spent up to now is 16.6 secs Computing kpt #: 251 total cpu time spent up to now is 16.7 secs Computing kpt #: 252 total cpu time spent up to now is 16.8 secs Computing kpt #: 253 total cpu time spent up to now is 16.9 secs Computing kpt #: 254 total cpu time spent up to now is 16.9 secs Computing kpt #: 255 total cpu time spent up to now is 17.0 secs Computing kpt #: 256 total cpu time spent up to now is 17.1 secs Computing kpt #: 257 total cpu time spent up to now is 17.2 secs Computing kpt #: 258 total cpu time spent up to now is 17.3 secs Computing kpt #: 259 total cpu time spent up to now is 17.3 secs Computing kpt #: 260 total cpu time spent up to now is 17.4 secs Computing kpt #: 261 total cpu time spent up to now is 17.5 secs Computing kpt #: 262 total cpu time spent up to now is 17.6 secs Computing kpt #: 263 total cpu time spent up to now is 17.7 secs Computing kpt #: 264 total cpu time spent up to now is 17.7 secs Computing kpt #: 265 total cpu time spent up to now is 17.8 secs Computing kpt #: 266 total cpu time spent up to now is 17.9 secs Computing kpt #: 267 total cpu time spent up to now is 18.0 secs Computing kpt #: 268 total cpu time spent up to now is 18.1 secs Computing kpt #: 269 total cpu time spent up to now is 18.1 secs Computing kpt #: 270 total cpu time spent up to now is 18.2 secs Computing kpt #: 271 total cpu time spent up to now is 18.3 secs Computing kpt #: 272 total cpu time spent up to now is 18.4 secs Computing kpt #: 273 total cpu time spent up to now is 18.5 secs Computing kpt #: 274 total cpu time spent up to now is 18.6 secs Computing kpt #: 275 total cpu time spent up to now is 18.6 secs Computing kpt #: 276 total cpu time spent up to now is 18.7 secs Computing kpt #: 277 total cpu time spent up to now is 18.8 secs Computing kpt #: 278 total cpu time spent up to now is 18.9 secs Computing kpt #: 279 total cpu time spent up to now is 19.0 secs Computing kpt #: 280 total cpu time spent up to now is 19.1 secs Computing kpt #: 281 total cpu time spent up to now is 19.2 secs Computing kpt #: 282 total cpu time spent up to now is 19.2 secs Computing kpt #: 283 total cpu time spent up to now is 19.3 secs Computing kpt #: 284 total cpu time spent up to now is 19.4 secs Computing kpt #: 285 total cpu time spent up to now is 19.5 secs Computing kpt #: 286 total cpu time spent up to now is 19.5 secs Computing kpt #: 287 total cpu time spent up to now is 19.6 secs Computing kpt #: 288 total cpu time spent up to now is 19.7 secs Computing kpt #: 289 total cpu time spent up to now is 19.8 secs Computing kpt #: 290 total cpu time spent up to now is 19.8 secs Computing kpt #: 291 total cpu time spent up to now is 19.9 secs Computing kpt #: 292 total cpu time spent up to now is 20.0 secs Computing kpt #: 293 total cpu time spent up to now is 20.1 secs Computing kpt #: 294 total cpu time spent up to now is 20.1 secs Computing kpt #: 295 total cpu time spent up to now is 20.2 secs Computing kpt #: 296 total cpu time spent up to now is 20.3 secs Computing kpt #: 297 total cpu time spent up to now is 20.4 secs Computing kpt #: 298 total cpu time spent up to now is 20.4 secs Computing kpt #: 299 total cpu time spent up to now is 20.5 secs Computing kpt #: 300 total cpu time spent up to now is 20.6 secs Computing kpt #: 301 total cpu time spent up to now is 20.7 secs Computing kpt #: 302 total cpu time spent up to now is 20.7 secs Computing kpt #: 303 total cpu time spent up to now is 20.8 secs Computing kpt #: 304 total cpu time spent up to now is 20.8 secs Computing kpt #: 305 total cpu time spent up to now is 20.9 secs Computing kpt #: 306 total cpu time spent up to now is 21.0 secs Computing kpt #: 307 total cpu time spent up to now is 21.0 secs Computing kpt #: 308 total cpu time spent up to now is 21.1 secs Computing kpt #: 309 total cpu time spent up to now is 21.1 secs Computing kpt #: 310 total cpu time spent up to now is 21.2 secs Computing kpt #: 311 total cpu time spent up to now is 21.2 secs Computing kpt #: 312 total cpu time spent up to now is 21.3 secs Computing kpt #: 313 total cpu time spent up to now is 21.3 secs Computing kpt #: 314 total cpu time spent up to now is 21.4 secs Computing kpt #: 315 total cpu time spent up to now is 21.4 secs Computing kpt #: 316 total cpu time spent up to now is 21.5 secs Computing kpt #: 317 total cpu time spent up to now is 21.5 secs Computing kpt #: 318 total cpu time spent up to now is 21.6 secs Computing kpt #: 319 total cpu time spent up to now is 21.6 secs Computing kpt #: 320 total cpu time spent up to now is 21.6 secs Computing kpt #: 321 total cpu time spent up to now is 21.7 secs Computing kpt #: 322 total cpu time spent up to now is 21.7 secs Computing kpt #: 323 total cpu time spent up to now is 21.8 secs Computing kpt #: 324 total cpu time spent up to now is 21.8 secs Computing kpt #: 325 total cpu time spent up to now is 21.9 secs Computing kpt #: 326 total cpu time spent up to now is 21.9 secs Computing kpt #: 327 total cpu time spent up to now is 21.9 secs Computing kpt #: 328 total cpu time spent up to now is 22.0 secs Computing kpt #: 329 total cpu time spent up to now is 22.0 secs Computing kpt #: 330 total cpu time spent up to now is 22.1 secs Computing kpt #: 331 total cpu time spent up to now is 22.1 secs Computing kpt #: 332 total cpu time spent up to now is 22.2 secs Computing kpt #: 333 total cpu time spent up to now is 22.3 secs Computing kpt #: 334 total cpu time spent up to now is 22.3 secs Computing kpt #: 335 total cpu time spent up to now is 22.4 secs Computing kpt #: 336 total cpu time spent up to now is 22.4 secs Computing kpt #: 337 total cpu time spent up to now is 22.5 secs Computing kpt #: 338 total cpu time spent up to now is 22.5 secs Computing kpt #: 339 total cpu time spent up to now is 22.6 secs Computing kpt #: 340 total cpu time spent up to now is 22.7 secs Computing kpt #: 341 total cpu time spent up to now is 22.7 secs Computing kpt #: 342 total cpu time spent up to now is 22.8 secs Computing kpt #: 343 total cpu time spent up to now is 22.9 secs Computing kpt #: 344 total cpu time spent up to now is 22.9 secs Computing kpt #: 345 total cpu time spent up to now is 23.0 secs Computing kpt #: 346 total cpu time spent up to now is 23.1 secs Computing kpt #: 347 total cpu time spent up to now is 23.1 secs Computing kpt #: 348 total cpu time spent up to now is 23.2 secs Computing kpt #: 349 total cpu time spent up to now is 23.3 secs Computing kpt #: 350 total cpu time spent up to now is 23.3 secs Computing kpt #: 351 total cpu time spent up to now is 23.4 secs Computing kpt #: 352 total cpu time spent up to now is 23.5 secs Computing kpt #: 353 total cpu time spent up to now is 23.5 secs Computing kpt #: 354 total cpu time spent up to now is 23.6 secs Computing kpt #: 355 total cpu time spent up to now is 23.6 secs Computing kpt #: 356 total cpu time spent up to now is 23.7 secs Computing kpt #: 357 total cpu time spent up to now is 23.8 secs Computing kpt #: 358 total cpu time spent up to now is 23.8 secs Computing kpt #: 359 total cpu time spent up to now is 23.9 secs Computing kpt #: 360 total cpu time spent up to now is 24.0 secs Computing kpt #: 361 total cpu time spent up to now is 24.0 secs Computing kpt #: 362 total cpu time spent up to now is 24.1 secs Computing kpt #: 363 total cpu time spent up to now is 24.1 secs Computing kpt #: 364 total cpu time spent up to now is 24.2 secs Computing kpt #: 365 total cpu time spent up to now is 24.2 secs Computing kpt #: 366 total cpu time spent up to now is 24.2 secs Computing kpt #: 367 total cpu time spent up to now is 24.3 secs Computing kpt #: 368 total cpu time spent up to now is 24.3 secs Computing kpt #: 369 total cpu time spent up to now is 24.4 secs Computing kpt #: 370 total cpu time spent up to now is 24.4 secs Computing kpt #: 371 total cpu time spent up to now is 24.4 secs Computing kpt #: 372 total cpu time spent up to now is 24.5 secs Computing kpt #: 373 total cpu time spent up to now is 24.5 secs Computing kpt #: 374 total cpu time spent up to now is 24.6 secs Computing kpt #: 375 total cpu time spent up to now is 24.6 secs Computing kpt #: 376 total cpu time spent up to now is 24.7 secs Computing kpt #: 377 total cpu time spent up to now is 24.7 secs Computing kpt #: 378 total cpu time spent up to now is 24.8 secs Computing kpt #: 379 total cpu time spent up to now is 24.8 secs Computing kpt #: 380 total cpu time spent up to now is 24.8 secs Computing kpt #: 381 total cpu time spent up to now is 24.9 secs Computing kpt #: 382 total cpu time spent up to now is 24.9 secs Computing kpt #: 383 total cpu time spent up to now is 25.0 secs Computing kpt #: 384 total cpu time spent up to now is 25.0 secs Computing kpt #: 385 total cpu time spent up to now is 25.1 secs Computing kpt #: 386 total cpu time spent up to now is 25.1 secs Computing kpt #: 387 total cpu time spent up to now is 25.1 secs Computing kpt #: 388 total cpu time spent up to now is 25.2 secs Computing kpt #: 389 total cpu time spent up to now is 25.2 secs Computing kpt #: 390 total cpu time spent up to now is 25.3 secs Computing kpt #: 391 total cpu time spent up to now is 25.3 secs Computing kpt #: 392 total cpu time spent up to now is 25.4 secs Computing kpt #: 393 total cpu time spent up to now is 25.4 secs Computing kpt #: 394 total cpu time spent up to now is 25.5 secs Computing kpt #: 395 total cpu time spent up to now is 25.5 secs Computing kpt #: 396 total cpu time spent up to now is 25.6 secs Computing kpt #: 397 total cpu time spent up to now is 25.6 secs Computing kpt #: 398 total cpu time spent up to now is 25.7 secs Computing kpt #: 399 total cpu time spent up to now is 25.7 secs Computing kpt #: 400 total cpu time spent up to now is 25.7 secs Computing kpt #: 401 total cpu time spent up to now is 25.8 secs Computing kpt #: 402 total cpu time spent up to now is 25.8 secs Computing kpt #: 403 total cpu time spent up to now is 25.9 secs Computing kpt #: 404 total cpu time spent up to now is 25.9 secs Computing kpt #: 405 total cpu time spent up to now is 26.0 secs Computing kpt #: 406 total cpu time spent up to now is 26.0 secs Computing kpt #: 407 total cpu time spent up to now is 26.1 secs Computing kpt #: 408 total cpu time spent up to now is 26.1 secs Computing kpt #: 409 total cpu time spent up to now is 26.2 secs Computing kpt #: 410 total cpu time spent up to now is 26.2 secs Computing kpt #: 411 total cpu time spent up to now is 26.3 secs Computing kpt #: 412 total cpu time spent up to now is 26.3 secs Computing kpt #: 413 total cpu time spent up to now is 26.4 secs Computing kpt #: 414 total cpu time spent up to now is 26.4 secs Computing kpt #: 415 total cpu time spent up to now is 26.5 secs Computing kpt #: 416 total cpu time spent up to now is 26.6 secs Computing kpt #: 417 total cpu time spent up to now is 26.7 secs Computing kpt #: 418 total cpu time spent up to now is 26.7 secs Computing kpt #: 419 total cpu time spent up to now is 26.8 secs Computing kpt #: 420 total cpu time spent up to now is 26.9 secs Computing kpt #: 421 total cpu time spent up to now is 26.9 secs Computing kpt #: 422 total cpu time spent up to now is 27.0 secs Computing kpt #: 423 total cpu time spent up to now is 27.0 secs Computing kpt #: 424 total cpu time spent up to now is 27.1 secs Computing kpt #: 425 total cpu time spent up to now is 27.1 secs Computing kpt #: 426 total cpu time spent up to now is 27.2 secs Computing kpt #: 427 total cpu time spent up to now is 27.2 secs Computing kpt #: 428 total cpu time spent up to now is 27.3 secs Computing kpt #: 429 total cpu time spent up to now is 27.3 secs Computing kpt #: 430 total cpu time spent up to now is 27.4 secs Computing kpt #: 431 total cpu time spent up to now is 27.4 secs Computing kpt #: 432 total cpu time spent up to now is 27.5 secs Computing kpt #: 433 total cpu time spent up to now is 27.5 secs Computing kpt #: 434 total cpu time spent up to now is 27.5 secs Computing kpt #: 435 total cpu time spent up to now is 27.6 secs Computing kpt #: 436 total cpu time spent up to now is 27.6 secs Computing kpt #: 437 total cpu time spent up to now is 27.7 secs Computing kpt #: 438 total cpu time spent up to now is 27.7 secs Computing kpt #: 439 total cpu time spent up to now is 27.8 secs Computing kpt #: 440 total cpu time spent up to now is 27.8 secs Computing kpt #: 441 total cpu time spent up to now is 27.8 secs Computing kpt #: 442 total cpu time spent up to now is 27.9 secs Computing kpt #: 443 total cpu time spent up to now is 27.9 secs Computing kpt #: 444 total cpu time spent up to now is 28.0 secs Computing kpt #: 445 total cpu time spent up to now is 28.0 secs Computing kpt #: 446 total cpu time spent up to now is 28.0 secs Computing kpt #: 447 total cpu time spent up to now is 28.1 secs Computing kpt #: 448 total cpu time spent up to now is 28.1 secs Computing kpt #: 449 total cpu time spent up to now is 28.2 secs Computing kpt #: 450 total cpu time spent up to now is 28.2 secs Computing kpt #: 451 total cpu time spent up to now is 28.3 secs Computing kpt #: 452 total cpu time spent up to now is 28.3 secs Computing kpt #: 453 total cpu time spent up to now is 28.3 secs Computing kpt #: 454 total cpu time spent up to now is 28.4 secs Computing kpt #: 455 total cpu time spent up to now is 28.4 secs Computing kpt #: 456 total cpu time spent up to now is 28.5 secs Computing kpt #: 457 total cpu time spent up to now is 28.5 secs Computing kpt #: 458 total cpu time spent up to now is 28.6 secs Computing kpt #: 459 total cpu time spent up to now is 28.6 secs Computing kpt #: 460 total cpu time spent up to now is 28.7 secs Computing kpt #: 461 total cpu time spent up to now is 28.7 secs Computing kpt #: 462 total cpu time spent up to now is 28.8 secs Computing kpt #: 463 total cpu time spent up to now is 28.8 secs Computing kpt #: 464 total cpu time spent up to now is 28.9 secs Computing kpt #: 465 total cpu time spent up to now is 28.9 secs Computing kpt #: 466 total cpu time spent up to now is 29.0 secs Computing kpt #: 467 total cpu time spent up to now is 29.0 secs Computing kpt #: 468 total cpu time spent up to now is 29.1 secs Computing kpt #: 469 total cpu time spent up to now is 29.1 secs Computing kpt #: 470 total cpu time spent up to now is 29.2 secs Computing kpt #: 471 total cpu time spent up to now is 29.2 secs Computing kpt #: 472 total cpu time spent up to now is 29.3 secs Computing kpt #: 473 total cpu time spent up to now is 29.3 secs Computing kpt #: 474 total cpu time spent up to now is 29.3 secs ethr = 7.14E-08, avg # of iterations = 11.6 total cpu time spent up to now is 29.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 627 PWs) bands (ev): -39.6740 -39.6740 -14.7112 -14.7112 -12.1156 -12.1156 -12.1156 -12.1156 14.3187 14.3187 20.1556 20.1556 20.1556 20.1556 20.2958 20.2958 23.2650 23.2650 23.2650 23.2650 36.5658 36.5658 k = 0.0050-0.0035 0.0061 ( 627 PWs) bands (ev): -39.6739 -39.6739 -14.7114 -14.7114 -12.1161 -12.1161 -12.1159 -12.1159 14.3210 14.3210 20.1555 20.1555 20.1562 20.1562 20.2960 20.2960 23.2620 23.2620 23.2661 23.2661 36.5684 36.5689 k = 0.0099-0.0070 0.0121 ( 627 PWs) bands (ev): -39.6735 -39.6735 -14.7123 -14.7123 -12.1174 -12.1174 -12.1166 -12.1166 14.3276 14.3276 20.1549 20.1549 20.1580 20.1580 20.2967 20.2967 23.2530 23.2530 23.2692 23.2692 36.5759 36.5762 k = 0.0149-0.0105 0.0182 ( 627 PWs) bands (ev): -39.6728 -39.6728 -14.7137 -14.7137 -12.1197 -12.1197 -12.1178 -12.1178 14.3387 14.3387 20.1541 20.1541 20.1608 20.1608 20.2979 20.2979 23.2380 23.2380 23.2744 23.2744 36.5885 36.5885 k = 0.0198-0.0140 0.0243 ( 627 PWs) bands (ev): -39.6719 -39.6719 -14.7157 -14.7157 -12.1229 -12.1229 -12.1195 -12.1195 14.3542 14.3542 20.1529 20.1529 20.1646 20.1646 20.2998 20.2998 23.2170 23.2170 23.2816 23.2816 36.6061 36.6061 k = 0.0248-0.0175 0.0303 ( 627 PWs) bands (ev): -39.6708 -39.6708 -14.7183 -14.7183 -12.1270 -12.1270 -12.1217 -12.1217 14.3741 14.3741 20.1515 20.1515 20.1691 20.1691 20.3026 20.3026 23.1903 23.1903 23.2909 23.2909 36.6286 36.6286 k = 0.0297-0.0210 0.0364 ( 623 PWs) bands (ev): -39.6691 -39.6691 -14.7213 -14.7213 -12.1318 -12.1318 -12.1243 -12.1243 14.3983 14.3983 20.1497 20.1497 20.1742 20.1742 20.3066 20.3066 23.1578 23.1578 23.3022 23.3022 36.6558 36.6558 k = 0.0347-0.0245 0.0424 ( 623 PWs) bands (ev): -39.6675 -39.6675 -14.7250 -14.7250 -12.1377 -12.1377 -12.1275 -12.1275 14.4269 14.4269 20.1478 20.1478 20.1796 20.1796 20.3120 20.3120 23.1197 23.1197 23.3156 23.3156 36.6876 36.6876 k = 0.0396-0.0280 0.0485 ( 623 PWs) bands (ev): -39.6655 -39.6655 -14.7293 -14.7293 -12.1444 -12.1444 -12.1311 -12.1311 14.4597 14.4597 20.1457 20.1457 20.1849 20.1849 20.3193 20.3193 23.0762 23.0762 23.3309 23.3309 36.7240 36.7240 k = 0.0446-0.0315 0.0546 ( 623 PWs) bands (ev): -39.6634 -39.6634 -14.7340 -14.7340 -12.1519 -12.1519 -12.1352 -12.1352 14.4967 14.4967 20.1434 20.1434 20.1898 20.1898 20.3287 20.3287 23.0273 23.0273 23.3482 23.3482 36.7646 36.7646 k = 0.0495-0.0350 0.0606 ( 623 PWs) bands (ev): -39.6610 -39.6610 -14.7394 -14.7394 -12.1602 -12.1602 -12.1398 -12.1398 14.5378 14.5378 20.1411 20.1411 20.1942 20.1942 20.3405 20.3405 22.9734 22.9734 23.3674 23.3674 36.8094 36.8094 k = 0.0545-0.0385 0.0667 ( 623 PWs) bands (ev): -39.6583 -39.6583 -14.7452 -14.7452 -12.1694 -12.1694 -12.1448 -12.1448 14.5830 14.5830 20.1388 20.1388 20.1978 20.1978 20.3550 20.3550 22.9146 22.9146 23.3884 23.3884 36.8580 36.8580 k = 0.0594-0.0420 0.0728 ( 631 PWs) bands (ev): -39.6558 -39.6558 -14.7517 -14.7517 -12.1795 -12.1795 -12.1504 -12.1504 14.6322 14.6322 20.1365 20.1365 20.2008 20.2008 20.3721 20.3721 22.8511 22.8511 23.4114 23.4114 36.9104 36.9104 k = 0.0644-0.0455 0.0788 ( 631 PWs) bands (ev): -39.6527 -39.6527 -14.7586 -14.7586 -12.1902 -12.1902 -12.1563 -12.1563 14.6854 14.6854 20.1343 20.1343 20.2031 20.2031 20.3919 20.3919 22.7830 22.7830 23.4361 23.4361 36.9663 36.9663 k = 0.0693-0.0490 0.0849 ( 631 PWs) bands (ev): -39.6493 -39.6493 -14.7660 -14.7660 -12.2016 -12.2016 -12.1628 -12.1628 14.7423 14.7423 20.1324 20.1324 20.2050 20.2050 20.4142 20.4142 22.7107 22.7107 23.4626 23.4626 37.0255 37.0255 k = 0.0743-0.0525 0.0909 ( 631 PWs) bands (ev): -39.6457 -39.6457 -14.7739 -14.7739 -12.2137 -12.2137 -12.1696 -12.1696 14.8030 14.8030 20.1307 20.1307 20.2067 20.2067 20.4390 20.4390 22.6344 22.6344 23.4908 23.4908 37.0878 37.0878 k = 0.0792-0.0560 0.0970 ( 623 PWs) bands (ev): -39.6415 -39.6415 -14.7820 -14.7820 -12.2264 -12.2264 -12.1767 -12.1767 14.8672 14.8672 20.1294 20.1294 20.2082 20.2082 20.4660 20.4660 22.5543 22.5543 23.5206 23.5206 37.1531 37.1531 k = 0.0842-0.0595 0.1031 ( 623 PWs) bands (ev): -39.6375 -39.6375 -14.7908 -14.7908 -12.2397 -12.2397 -12.1845 -12.1845 14.9349 14.9349 20.1285 20.1285 20.2098 20.2098 20.4953 20.4953 22.4706 22.4706 23.5520 23.5520 37.2209 37.2209 k = 0.0891-0.0630 0.1091 ( 623 PWs) bands (ev): -39.6332 -39.6332 -14.8001 -14.8001 -12.2537 -12.2537 -12.1927 -12.1927 15.0060 15.0060 20.1281 20.1281 20.2116 20.2116 20.5267 20.5267 22.3835 22.3835 23.5849 23.5849 37.2912 37.2912 k = 0.0941-0.0665 0.1152 ( 623 PWs) bands (ev): -39.6288 -39.6288 -14.8098 -14.8098 -12.2683 -12.2683 -12.2013 -12.2013 15.0804 15.0804 20.1283 20.1283 20.2138 20.2138 20.5602 20.5602 22.2934 22.2934 23.6192 23.6192 37.3636 37.3636 k = 0.0990-0.0700 0.1213 ( 623 PWs) bands (ev): -39.6241 -39.6241 -14.8199 -14.8199 -12.2834 -12.2834 -12.2103 -12.2103 15.1578 15.1578 20.1292 20.1292 20.2165 20.2165 20.5956 20.5956 22.2004 22.2004 23.6549 23.6549 37.4380 37.4380 k = 0.1040-0.0735 0.1273 ( 623 PWs) bands (ev): -39.6193 -39.6193 -14.8304 -14.8304 -12.2990 -12.2990 -12.2197 -12.2197 15.2382 15.2382 20.1309 20.1309 20.2198 20.2198 20.6330 20.6330 22.1047 22.1047 23.6919 23.6919 37.5143 37.5143 k = 0.1089-0.0770 0.1334 ( 623 PWs) bands (ev): -39.6142 -39.6142 -14.8413 -14.8413 -12.3151 -12.3151 -12.2295 -12.2295 15.3213 15.3213 20.1334 20.1334 20.2238 20.2238 20.6721 20.6721 22.0067 22.0067 23.7301 23.7301 37.5921 37.5921 k = 0.1139-0.0805 0.1395 ( 623 PWs) bands (ev): -39.6090 -39.6090 -14.8526 -14.8526 -12.3316 -12.3316 -12.2397 -12.2397 15.4070 15.4070 20.1369 20.1369 20.2287 20.2287 20.7131 20.7131 21.9066 21.9066 23.7694 23.7694 37.6714 37.6714 k = 0.1188-0.0840 0.1455 ( 623 PWs) bands (ev): -39.6036 -39.6036 -14.8642 -14.8642 -12.3485 -12.3485 -12.2503 -12.2503 15.4952 15.4952 20.1414 20.1414 20.2346 20.2346 20.7557 20.7557 21.8047 21.8047 23.8097 23.8097 37.7520 37.7520 k = 0.1238-0.0875 0.1516 ( 631 PWs) bands (ev): -39.5984 -39.5984 -14.8763 -14.8763 -12.3659 -12.3659 -12.2615 -12.2615 15.5857 15.5857 20.1470 20.1470 20.2415 20.2415 20.7998 20.7998 21.7012 21.7012 23.8509 23.8509 37.8334 37.8334 k = 0.1287-0.0910 0.1576 ( 623 PWs) bands (ev): -39.5923 -39.5923 -14.8884 -14.8884 -12.3833 -12.3833 -12.2727 -12.2727 15.6781 15.6781 20.1538 20.1538 20.2495 20.2495 20.8452 20.8452 21.5965 21.5965 23.8930 23.8930 37.9162 37.9162 k = 0.1337-0.0945 0.1637 ( 623 PWs) bands (ev): -39.5864 -39.5864 -14.9009 -14.9009 -12.4012 -12.4012 -12.2844 -12.2844 15.7725 15.7725 20.1619 20.1619 20.2588 20.2588 20.8915 20.8915 21.4913 21.4913 23.9358 23.9358 37.9996 37.9996 k = 0.1386-0.0980 0.1698 ( 623 PWs) bands (ev): -39.5804 -39.5804 -14.9137 -14.9137 -12.4194 -12.4194 -12.2964 -12.2964 15.8684 15.8684 20.1714 20.1714 20.2693 20.2693 20.9377 20.9377 21.3867 21.3867 23.9792 23.9792 38.0837 38.0837 k = 0.1436-0.1015 0.1758 ( 623 PWs) bands (ev): -39.5742 -39.5742 -14.9268 -14.9268 -12.4377 -12.4377 -12.3088 -12.3088 15.9657 15.9657 20.1823 20.1823 20.2812 20.2812 20.9812 20.9812 21.2855 21.2855 24.0232 24.0232 38.1684 38.1684 k = 0.1485-0.1050 0.1819 ( 623 PWs) bands (ev): -39.5679 -39.5679 -14.9401 -14.9401 -12.4563 -12.4563 -12.3215 -12.3215 16.0642 16.0642 20.1947 20.1947 20.2944 20.2944 21.0103 21.0103 21.1995 21.1995 24.0676 24.0676 38.2535 38.2535 k = 0.1535-0.1085 0.1880 ( 623 PWs) bands (ev): -39.5614 -39.5614 -14.9537 -14.9537 -12.4751 -12.4751 -12.3344 -12.3344 16.1636 16.1636 20.2087 20.2087 20.3091 20.3091 20.9856 20.9856 21.1684 21.1684 24.1124 24.1124 38.3390 38.3390 k = 0.1584-0.1120 0.1940 ( 615 PWs) bands (ev): -39.5545 -39.5545 -14.9672 -14.9672 -12.4938 -12.4938 -12.3476 -12.3476 16.2636 16.2636 20.2244 20.2244 20.3250 20.3250 20.9019 20.9019 21.1977 21.1977 24.1575 24.1575 38.4250 38.4250 k = 0.1634-0.1155 0.2001 ( 615 PWs) bands (ev): -39.5478 -39.5478 -14.9811 -14.9811 -12.5127 -12.5127 -12.3612 -12.3612 16.3639 16.3639 20.2418 20.2418 20.3420 20.3420 20.8001 20.8001 21.2468 21.2468 24.2029 24.2029 38.5108 38.5108 k = 0.1683-0.1190 0.2061 ( 615 PWs) bands (ev): -39.5410 -39.5410 -14.9952 -14.9952 -12.5318 -12.5318 -12.3750 -12.3750 16.4643 16.4643 20.2611 20.2611 20.3594 20.3594 20.6944 20.6944 21.3025 21.3025 24.2484 24.2484 38.5967 38.5967 k = 0.1733-0.1225 0.2122 ( 615 PWs) bands (ev): -39.5342 -39.5342 -15.0094 -15.0094 -12.5508 -12.5508 -12.3891 -12.3891 16.5645 16.5645 20.2821 20.2821 20.3744 20.3744 20.5908 20.5908 21.3617 21.3617 24.2940 24.2940 38.6826 38.6826 k = 0.1782-0.1260 0.2183 ( 615 PWs) bands (ev): -39.5272 -39.5272 -15.0237 -15.0237 -12.5699 -12.5699 -12.4035 -12.4035 16.6640 16.6640 20.3051 20.3051 20.3737 20.3737 20.5039 20.5039 21.4232 21.4232 24.3398 24.3398 38.4510 38.4510 k = 0.1832-0.1295 0.2243 ( 615 PWs) bands (ev): -39.5202 -39.5202 -15.0380 -15.0380 -12.5889 -12.5889 -12.4181 -12.4181 16.7627 16.7627 20.3168 20.3168 20.3301 20.3301 20.4746 20.4746 21.4867 21.4867 24.3856 24.3856 38.2657 38.2657 k = 0.1881-0.1330 0.2304 ( 611 PWs) bands (ev): -39.5129 -39.5129 -15.0524 -15.0524 -12.6077 -12.6077 -12.4329 -12.4329 16.8600 16.8600 20.2189 20.2189 20.3572 20.3572 20.4884 20.4884 21.5519 21.5519 24.4316 24.4316 38.0915 38.0915 k = 0.1931-0.1365 0.2365 ( 611 PWs) bands (ev): -39.5057 -39.5057 -15.0669 -15.0669 -12.6266 -12.6266 -12.4479 -12.4479 16.9558 16.9558 20.1116 20.1116 20.3863 20.3863 20.5138 20.5138 21.6186 21.6186 24.4777 24.4777 37.9282 37.9282 k = 0.1980-0.1400 0.2425 ( 615 PWs) bands (ev): -39.4987 -39.4987 -15.0815 -15.0815 -12.6455 -12.6455 -12.4631 -12.4631 17.0495 17.0495 20.0017 20.0017 20.4176 20.4176 20.5441 20.5441 21.6869 21.6869 24.5241 24.5241 37.7761 37.7761 k = 0.2030-0.1435 0.2486 ( 615 PWs) bands (ev): -39.4914 -39.4914 -15.0960 -15.0960 -12.6641 -12.6641 -12.4785 -12.4785 17.1408 17.1408 19.8912 19.8912 20.4511 20.4511 20.5777 20.5777 21.7565 21.7565 24.5708 24.5708 37.6361 37.6361 k = 0.2079-0.1470 0.2546 ( 615 PWs) bands (ev): -39.4841 -39.4841 -15.1106 -15.1106 -12.6826 -12.6826 -12.4940 -12.4940 17.2293 17.2293 19.7807 19.7807 20.4868 20.4868 20.6141 20.6141 21.8275 21.8275 24.6180 24.6180 37.5081 37.5081 k = 0.2129-0.1505 0.2607 ( 615 PWs) bands (ev): -39.4768 -39.4768 -15.1250 -15.1250 -12.7008 -12.7008 -12.5097 -12.5097 17.3146 17.3146 19.6705 19.6705 20.5248 20.5248 20.6530 20.6530 21.8997 21.8997 24.6658 24.6658 37.3922 37.3922 k = 0.2178-0.1540 0.2668 ( 615 PWs) bands (ev): -39.4695 -39.4695 -15.1395 -15.1395 -12.7189 -12.7189 -12.5256 -12.5256 17.3963 17.3963 19.5609 19.5609 20.5651 20.5651 20.6945 20.6945 21.9732 21.9732 24.7145 24.7145 37.2887 37.2887 k = 0.2228-0.1575 0.2728 ( 615 PWs) bands (ev): -39.4621 -39.4621 -15.1539 -15.1539 -12.7368 -12.7368 -12.5415 -12.5415 17.4739 17.4739 19.4519 19.4519 20.6078 20.6078 20.7385 20.7385 22.0478 22.0478 24.7642 24.7642 37.1975 37.1975 k = 0.2277-0.1610 0.2789 ( 619 PWs) bands (ev): -39.4549 -39.4549 -15.1682 -15.1682 -12.7544 -12.7544 -12.5576 -12.5576 17.5471 17.5471 19.3438 19.3438 20.6528 20.6528 20.7850 20.7850 22.1235 22.1235 24.8154 24.8154 37.1189 37.1189 k = 0.2327-0.1645 0.2850 ( 619 PWs) bands (ev): -39.4475 -39.4475 -15.1824 -15.1824 -12.7717 -12.7717 -12.5738 -12.5738 17.6155 17.6155 19.2366 19.2366 20.7003 20.7003 20.8339 20.8339 22.2002 22.2002 24.8681 24.8681 37.0528 37.0528 k = 0.2376-0.1680 0.2910 ( 619 PWs) bands (ev): -39.4402 -39.4402 -15.1965 -15.1965 -12.7887 -12.7887 -12.5900 -12.5900 17.6787 17.6787 19.1304 19.1304 20.7502 20.7502 20.8854 20.8854 22.2780 22.2780 24.9228 24.9228 36.9992 36.9992 k = 0.2426-0.1715 0.2971 ( 619 PWs) bands (ev): -39.4328 -39.4328 -15.2105 -15.2105 -12.8055 -12.8055 -12.6063 -12.6063 17.7363 17.7363 19.0252 19.0252 20.8027 20.8027 20.9394 20.9394 22.3567 22.3567 24.9798 24.9798 36.9581 36.9581 k = 0.2475-0.1750 0.3032 ( 619 PWs) bands (ev): -39.4255 -39.4255 -15.2243 -15.2243 -12.8219 -12.8219 -12.6226 -12.6226 17.7880 17.7880 18.9213 18.9213 20.8576 20.8576 20.9960 20.9960 22.4363 22.4363 25.0395 25.0395 36.9293 36.9293 k = 0.2525-0.1785 0.3092 ( 619 PWs) bands (ev): -39.4182 -39.4182 -15.2379 -15.2379 -12.8379 -12.8379 -12.6389 -12.6389 17.8334 17.8334 18.8186 18.8186 20.9150 20.9150 21.0550 21.0550 22.5167 22.5167 25.1021 25.1021 36.9127 36.9127 k = 0.2574-0.1820 0.3153 ( 619 PWs) bands (ev): -39.4109 -39.4109 -15.2514 -15.2514 -12.8536 -12.8536 -12.6552 -12.6552 17.8725 17.8725 18.7171 18.7171 20.9749 20.9749 21.1167 21.1167 22.5979 22.5979 25.1680 25.1680 36.9082 36.9082 k = 0.2624-0.1855 0.3213 ( 619 PWs) bands (ev): -39.4037 -39.4037 -15.2647 -15.2647 -12.8689 -12.8689 -12.6716 -12.6716 17.9049 17.9049 18.6171 18.6171 21.0374 21.0374 21.1809 21.1809 22.6798 22.6798 25.2375 25.2375 36.9154 36.9154 k = 0.2673-0.1890 0.3274 ( 615 PWs) bands (ev): -39.3964 -39.3964 -15.2777 -15.2777 -12.8838 -12.8838 -12.6879 -12.6879 17.9304 17.9304 18.5184 18.5184 21.1025 21.1025 21.2476 21.2476 22.7623 22.7623 25.3109 25.3109 36.9344 36.9344 k = 0.2723-0.1925 0.3335 ( 615 PWs) bands (ev): -39.3893 -39.3893 -15.2906 -15.2906 -12.8983 -12.8983 -12.7041 -12.7041 17.9491 17.9491 18.4213 18.4213 21.1701 21.1701 21.3169 21.3169 22.8454 22.8454 25.3885 25.3885 36.9644 36.9644 k = 0.2772-0.1960 0.3395 ( 615 PWs) bands (ev): -39.3822 -39.3822 -15.3033 -15.3033 -12.9125 -12.9125 -12.7203 -12.7203 17.9609 17.9609 18.3256 18.3256 21.2403 21.2403 21.3888 21.3888 22.9290 22.9290 25.4704 25.4704 37.0053 37.0053 k = 0.2822-0.1995 0.3456 ( 615 PWs) bands (ev): -39.3753 -39.3753 -15.3158 -15.3158 -12.9263 -12.9263 -12.7365 -12.7365 17.9657 17.9657 18.2316 18.2316 21.3130 21.3130 21.4632 21.4632 23.0130 23.0130 25.5570 25.5570 37.0566 37.0566 k = 0.2871-0.2030 0.3517 ( 627 PWs) bands (ev): -39.3690 -39.3690 -15.3282 -15.3282 -12.9398 -12.9398 -12.7527 -12.7527 17.9637 17.9637 18.1391 18.1391 21.3884 21.3884 21.5402 21.5402 23.0973 23.0973 25.6482 25.6482 37.1179 37.1179 k = 0.2921-0.2065 0.3577 ( 627 PWs) bands (ev): -39.3622 -39.3622 -15.3402 -15.3402 -12.9527 -12.9527 -12.7686 -12.7686 17.9550 17.9550 18.0483 18.0483 21.4662 21.4662 21.6197 21.6197 23.1819 23.1819 25.7442 25.7442 37.1888 37.1888 k = 0.2970-0.2100 0.3638 ( 627 PWs) bands (ev): -39.3555 -39.3555 -15.3520 -15.3520 -12.9652 -12.9652 -12.7844 -12.7844 17.9399 17.9399 17.9592 17.9592 21.5467 21.5467 21.7017 21.7017 23.2668 23.2668 25.8451 25.8451 37.2686 37.2686 k = 0.3020-0.2135 0.3698 ( 627 PWs) bands (ev): -39.3489 -39.3489 -15.3634 -15.3634 -12.9773 -12.9773 -12.8001 -12.8001 17.8718 17.8718 17.9185 17.9185 21.6297 21.6297 21.7863 21.7863 23.3517 23.3517 25.9507 25.9507 37.3561 37.3561 k = 0.3069-0.2170 0.3759 ( 627 PWs) bands (ev): -39.3424 -39.3424 -15.3747 -15.3747 -12.9889 -12.9889 -12.8156 -12.8156 17.7862 17.7862 17.8913 17.8913 21.7152 21.7152 21.8733 21.8733 23.4367 23.4367 26.0611 26.0611 37.4455 37.4455 k = 0.3119-0.2205 0.3820 ( 619 PWs) bands (ev): -39.3356 -39.3356 -15.3855 -15.3855 -12.9998 -12.9998 -12.8309 -12.8309 17.7024 17.7024 17.8584 17.8584 21.8032 21.8032 21.9628 21.9628 23.5216 23.5216 26.1762 26.1762 37.4233 37.4233 k = 0.3168-0.2240 0.3880 ( 619 PWs) bands (ev): -39.3293 -39.3293 -15.3962 -15.3962 -13.0106 -13.0106 -12.8461 -12.8461 17.6205 17.6205 17.8204 17.8204 21.8936 21.8936 22.0547 22.0547 23.6064 23.6064 26.2957 26.2957 37.1999 37.1999 k = 0.3218-0.2275 0.3941 ( 619 PWs) bands (ev): -39.3232 -39.3232 -15.4066 -15.4066 -13.0209 -13.0209 -12.8611 -12.8611 17.5404 17.5404 17.7776 17.7776 21.9865 21.9865 22.1491 22.1491 23.6909 23.6909 26.4196 26.4196 36.9610 36.9610 k = 0.3267-0.2310 0.4002 ( 623 PWs) bands (ev): -39.3173 -39.3173 -15.4168 -15.4168 -13.0308 -13.0308 -12.8759 -12.8759 17.4622 17.4622 17.7304 17.7304 22.0819 22.0819 22.2457 22.2457 23.7751 23.7751 26.5477 26.5477 36.7198 36.7198 k = 0.3317-0.2345 0.4062 ( 623 PWs) bands (ev): -39.3114 -39.3114 -15.4267 -15.4267 -13.0403 -13.0403 -12.8904 -12.8904 17.3860 17.3860 17.6792 17.6792 22.1796 22.1796 22.3447 22.3447 23.8589 23.8589 26.6796 26.6796 36.4780 36.4780 k = 0.3366-0.2380 0.4123 ( 623 PWs) bands (ev): -39.3056 -39.3056 -15.4363 -15.4363 -13.0492 -13.0492 -12.9047 -12.9047 17.3117 17.3117 17.6245 17.6245 22.2796 22.2796 22.4459 22.4459 23.9421 23.9421 26.8152 26.8152 36.2362 36.2362 k = 0.3416-0.2415 0.4184 ( 622 PWs) bands (ev): -39.2999 -39.2999 -15.4456 -15.4456 -13.0578 -13.0578 -12.9188 -12.9188 17.2394 17.2394 17.5667 17.5667 22.3819 22.3819 22.5493 22.5493 24.0247 24.0247 26.9542 26.9542 35.9948 35.9948 k = 0.3465-0.2450 0.4244 ( 622 PWs) bands (ev): -39.2944 -39.2944 -15.4546 -15.4546 -13.0659 -13.0659 -12.9325 -12.9325 17.1691 17.1691 17.5063 17.5063 22.4864 22.4864 22.6548 22.6548 24.1065 24.1065 27.0963 27.0963 35.7542 35.7542 k = 0.3515-0.2485 0.4305 ( 622 PWs) bands (ev): -39.2891 -39.2891 -15.4634 -15.4634 -13.0736 -13.0736 -12.9460 -12.9460 17.1008 17.1008 17.4437 17.4437 22.5930 22.5930 22.7623 22.7623 24.1875 24.1875 27.2411 27.2411 35.5146 35.5146 k = 0.3564-0.2520 0.4365 ( 630 PWs) bands (ev): -39.2843 -39.2843 -15.4720 -15.4720 -13.0812 -13.0812 -12.9592 -12.9592 17.0346 17.0346 17.3793 17.3793 22.7017 22.7017 22.8718 22.8718 24.2675 24.2675 27.3884 27.3884 35.2763 35.2763 k = 0.3614-0.2555 0.4426 ( 630 PWs) bands (ev): -39.2792 -39.2792 -15.4802 -15.4802 -13.0881 -13.0881 -12.9721 -12.9721 16.9704 16.9704 17.3134 17.3134 22.8124 22.8124 22.9832 22.9832 24.3464 24.3464 27.5378 27.5378 35.0395 35.0395 k = 0.3663-0.2590 0.4487 ( 630 PWs) bands (ev): -39.2743 -39.2743 -15.4880 -15.4880 -13.0946 -13.0946 -12.9846 -12.9846 16.9084 16.9084 17.2466 17.2466 22.9249 22.9249 23.0963 23.0963 24.4241 24.4241 27.6890 27.6890 34.8046 34.8046 k = 0.3713-0.2625 0.4547 ( 638 PWs) bands (ev): -39.2699 -39.2699 -15.4958 -15.4958 -13.1008 -13.1008 -12.9969 -12.9969 16.8484 16.8484 17.1792 17.1792 23.0393 23.0393 23.2111 23.2111 24.5005 24.5005 27.8415 27.8415 34.5716 34.5716 k = 0.3762-0.2660 0.4608 ( 638 PWs) bands (ev): -39.2653 -39.2653 -15.5031 -15.5031 -13.1066 -13.1066 -13.0088 -13.0088 16.7906 16.7906 17.1116 17.1116 23.1553 23.1553 23.3274 23.3274 24.5755 24.5755 27.9951 27.9951 34.3409 34.3409 k = 0.3812-0.2695 0.4669 ( 638 PWs) bands (ev): -39.2609 -39.2609 -15.5101 -15.5101 -13.1119 -13.1119 -13.0203 -13.0203 16.7349 16.7349 17.0440 17.0440 23.2728 23.2728 23.4450 23.4450 24.6489 24.6489 28.1493 28.1493 34.1128 34.1128 k = 0.3861-0.2730 0.4729 ( 638 PWs) bands (ev): -39.2566 -39.2566 -15.5169 -15.5169 -13.1170 -13.1170 -13.0314 -13.0314 16.6814 16.6814 16.9769 16.9769 23.3917 23.3917 23.5638 23.5638 24.7207 24.7207 28.3037 28.3037 33.8875 33.8875 k = 0.3911-0.2765 0.4790 ( 638 PWs) bands (ev): -39.2525 -39.2525 -15.5233 -15.5233 -13.1217 -13.1217 -13.0421 -13.0421 16.6301 16.6301 16.9105 16.9105 23.5118 23.5118 23.6836 23.6836 24.7907 24.7907 28.4578 28.4578 33.6652 33.6652 k = 0.3960-0.2800 0.4850 ( 638 PWs) bands (ev): -39.2486 -39.2486 -15.5295 -15.5295 -13.1260 -13.1260 -13.0524 -13.0524 16.5809 16.5809 16.8451 16.8451 23.6329 23.6329 23.8041 23.8041 24.8588 24.8588 28.6113 28.6113 33.4464 33.4464 k = 0.4010-0.2835 0.4911 ( 638 PWs) bands (ev): -39.2448 -39.2448 -15.5353 -15.5353 -13.1301 -13.1301 -13.0623 -13.0623 16.5340 16.5340 16.7811 16.7811 23.7548 23.7548 23.9252 23.9252 24.9248 24.9248 28.7635 28.7635 33.2312 33.2312 k = 0.4059-0.2870 0.4972 ( 638 PWs) bands (ev): -39.2412 -39.2412 -15.5409 -15.5409 -13.1338 -13.1338 -13.0718 -13.0718 16.4892 16.4892 16.7187 16.7187 23.8772 23.8772 24.0465 24.0465 24.9888 24.9888 28.9140 28.9140 33.0202 33.0202 k = 0.4109-0.2905 0.5032 ( 638 PWs) bands (ev): -39.2378 -39.2378 -15.5462 -15.5462 -13.1372 -13.1372 -13.0809 -13.0809 16.4467 16.4467 16.6580 16.6580 23.9998 23.9998 24.1677 24.1677 25.0505 25.0505 29.0621 29.0621 32.8137 32.8137 k = 0.4158-0.2940 0.5093 ( 638 PWs) bands (ev): -39.2345 -39.2345 -15.5512 -15.5512 -13.1404 -13.1404 -13.0895 -13.0895 16.4065 16.4065 16.5995 16.5995 24.1223 24.1223 24.2884 24.2884 25.1098 25.1098 29.2072 29.2072 32.6122 32.6122 k = 0.4208-0.2975 0.5154 ( 642 PWs) bands (ev): -39.2317 -39.2317 -15.5560 -15.5560 -13.1434 -13.1434 -13.0977 -13.0977 16.3685 16.3685 16.5432 16.5432 24.2444 24.2444 24.4083 24.4083 25.1667 25.1667 29.3487 29.3487 32.4162 32.4162 k = 0.4257-0.3010 0.5214 ( 642 PWs) bands (ev): -39.2288 -39.2288 -15.5604 -15.5604 -13.1461 -13.1461 -13.1055 -13.1055 16.3327 16.3327 16.4893 16.4893 24.3655 24.3655 24.5268 24.5268 25.2212 25.2212 29.4858 29.4858 32.2264 32.2264 k = 0.4307-0.3045 0.5275 ( 642 PWs) bands (ev): -39.2261 -39.2261 -15.5646 -15.5646 -13.1485 -13.1485 -13.1128 -13.1128 16.2992 16.2992 16.4381 16.4381 24.4853 24.4853 24.6434 24.6434 25.2731 25.2731 29.6175 29.6175 32.0437 32.0437 k = 0.4356-0.3080 0.5336 ( 642 PWs) bands (ev): -39.2236 -39.2236 -15.5684 -15.5684 -13.1507 -13.1507 -13.1196 -13.1196 16.2680 16.2680 16.3898 16.3898 24.6031 24.6031 24.7574 24.7574 25.3224 25.3224 29.7429 29.7429 31.8688 31.8688 k = 0.4406-0.3115 0.5396 ( 642 PWs) bands (ev): -39.2212 -39.2212 -15.5720 -15.5720 -13.1526 -13.1526 -13.1259 -13.1259 16.2391 16.2391 16.3444 16.3444 24.7183 24.7183 24.8681 24.8681 25.3691 25.3691 29.8607 29.8607 31.7032 31.7032 k = 0.4455-0.3150 0.5457 ( 642 PWs) bands (ev): -39.2191 -39.2191 -15.5753 -15.5753 -13.1544 -13.1544 -13.1317 -13.1317 16.2124 16.2124 16.3021 16.3021 24.8302 24.8302 24.9745 24.9745 25.4133 25.4133 29.9695 29.9695 31.5482 31.5482 k = 0.4505-0.3185 0.5517 ( 642 PWs) bands (ev): -39.2171 -39.2171 -15.5783 -15.5783 -13.1560 -13.1560 -13.1371 -13.1371 16.1881 16.1881 16.2631 16.2631 24.9379 24.9379 25.0756 25.0756 25.4552 25.4552 30.0675 30.0675 31.4058 31.4058 k = 0.4554-0.3220 0.5578 ( 634 PWs) bands (ev): -39.2149 -39.2149 -15.5808 -15.5808 -13.1573 -13.1573 -13.1417 -13.1417 16.1660 16.1660 16.2275 16.2275 25.0406 25.0406 25.1702 25.1702 25.4951 25.4951 30.1523 30.1523 31.2786 31.2786 k = 0.4604-0.3255 0.5639 ( 634 PWs) bands (ev): -39.2133 -39.2133 -15.5833 -15.5833 -13.1585 -13.1585 -13.1461 -13.1461 16.1463 16.1463 16.1953 16.1953 25.1372 25.1372 25.2567 25.2567 25.5334 25.5334 30.2210 30.2210 31.1698 31.1698 k = 0.4653-0.3290 0.5699 ( 634 PWs) bands (ev): -39.2119 -39.2119 -15.5854 -15.5854 -13.1595 -13.1595 -13.1500 -13.1500 16.1289 16.1289 16.1667 16.1667 25.2266 25.2266 25.3333 25.3333 25.5707 25.5707 30.2701 30.2701 31.0831 31.0831 k = 0.4703-0.3326 0.5760 ( 630 PWs) bands (ev): -39.2104 -39.2104 -15.5872 -15.5872 -13.1604 -13.1604 -13.1532 -13.1532 16.1137 16.1137 16.1418 16.1418 25.3076 25.3076 25.3985 25.3985 25.6077 25.6077 30.2974 30.2974 31.0214 31.0214 k = 0.4752-0.3361 0.5821 ( 630 PWs) bands (ev): -39.2094 -39.2094 -15.5887 -15.5887 -13.1611 -13.1611 -13.1561 -13.1561 16.1010 16.1010 16.1205 16.1205 25.3790 25.3790 25.4509 25.4509 25.6442 25.6442 30.3035 30.3035 30.9848 30.9848 k = 0.4802-0.3396 0.5881 ( 622 PWs) bands (ev): -39.2081 -39.2081 -15.5899 -15.5899 -13.1615 -13.1615 -13.1583 -13.1583 16.0905 16.0905 16.1031 16.1031 25.4395 25.4395 25.4907 25.4907 25.6791 25.6791 30.2935 30.2935 30.9686 30.9686 k = 0.4851-0.3431 0.5942 ( 610 PWs) bands (ev): -39.2069 -39.2069 -15.5906 -15.5906 -13.1617 -13.1617 -13.1600 -13.1600 16.0823 16.0823 16.0894 16.0894 25.4880 25.4880 25.5192 25.5192 25.7100 25.7100 30.2754 30.2754 30.9655 30.9655 k = 0.4901-0.3466 0.6002 ( 610 PWs) bands (ev): -39.2064 -39.2064 -15.5913 -15.5913 -13.1620 -13.1620 -13.1613 -13.1613 16.0765 16.0765 16.0797 16.0797 25.5235 25.5235 25.5381 25.5381 25.7342 25.7342 30.2569 30.2569 30.9682 30.9682 k = 0.4950-0.3501 0.6063 ( 610 PWs) bands (ev): -39.2061 -39.2061 -15.5918 -15.5918 -13.1622 -13.1622 -13.1620 -13.1620 16.0730 16.0730 16.0738 16.0738 25.5451 25.5451 25.5489 25.5489 25.7496 25.7496 30.2436 30.2436 30.9718 30.9718 k = 0.5000-0.3536 0.6124 ( 610 PWs) bands (ev): -39.2060 -39.2060 -15.5919 -15.5919 -13.1623 -13.1623 -13.1623 -13.1623 16.0719 16.0719 16.0719 16.0719 25.5524 25.5524 25.5524 25.5524 25.7548 25.7548 30.2389 30.2389 30.9733 30.9733 k = 0.5000-0.3536 0.6124 ( 610 PWs) bands (ev): -39.2060 -39.2060 -15.5919 -15.5919 -13.1623 -13.1623 -13.1623 -13.1623 16.0719 16.0719 16.0719 16.0719 25.5524 25.5524 25.5524 25.5524 25.7548 25.7548 30.2389 30.2389 30.9733 30.9733 k = 0.4930-0.3486 0.6124 ( 610 PWs) bands (ev): -39.2061 -39.2061 -15.5918 -15.5918 -13.1623 -13.1623 -13.1619 -13.1619 16.0732 16.0732 16.0736 16.0736 25.5438 25.5438 25.5501 25.5501 25.7496 25.7496 30.2437 30.2437 30.9742 30.9742 k = 0.4859-0.3436 0.6124 ( 610 PWs) bands (ev): -39.2064 -39.2064 -15.5913 -15.5913 -13.1625 -13.1625 -13.1608 -13.1608 16.0774 16.0774 16.0790 16.0790 25.5181 25.5181 25.5421 25.5421 25.7348 25.7348 30.2579 30.2579 30.9770 30.9770 k = 0.4789-0.3386 0.6124 ( 616 PWs) bands (ev): -39.2072 -39.2072 -15.5907 -15.5907 -13.1628 -13.1628 -13.1591 -13.1591 16.0842 16.0842 16.0879 16.0879 25.4755 25.4755 25.5259 25.5259 25.7141 25.7141 30.2801 30.2801 30.9820 30.9820 k = 0.4718-0.3336 0.6124 ( 620 PWs) bands (ev): -39.2080 -39.2080 -15.5898 -15.5898 -13.1632 -13.1632 -13.1565 -13.1565 16.0938 16.0938 16.1003 16.1003 25.4167 25.4167 25.4969 25.4969 25.6928 25.6928 30.3086 30.3086 30.9894 30.9894 k = 0.4648-0.3287 0.6124 ( 628 PWs) bands (ev): -39.2093 -39.2093 -15.5887 -15.5887 -13.1637 -13.1637 -13.1533 -13.1533 16.1061 16.1061 16.1163 16.1163 25.3424 25.3424 25.4511 25.4511 25.6762 25.6762 30.3410 30.3410 30.9998 30.9998 k = 0.4577-0.3237 0.6124 ( 628 PWs) bands (ev): -39.2104 -39.2104 -15.5871 -15.5871 -13.1642 -13.1642 -13.1492 -13.1492 16.1211 16.1211 16.1359 16.1359 25.2538 25.2538 25.3879 25.3879 25.6660 25.6660 30.3747 30.3747 31.0140 31.0140 k = 0.4507-0.3187 0.6124 ( 628 PWs) bands (ev): -39.2116 -39.2116 -15.5853 -15.5853 -13.1648 -13.1648 -13.1443 -13.1443 16.1387 16.1387 16.1589 16.1589 25.1522 25.1522 25.3093 25.3093 25.6612 25.6612 30.4073 30.4073 31.0325 31.0325 k = 0.4437-0.3137 0.6124 ( 628 PWs) bands (ev): -39.2130 -39.2130 -15.5832 -15.5832 -13.1655 -13.1655 -13.1387 -13.1387 16.1589 16.1589 16.1855 16.1855 25.0392 25.0392 25.2181 25.2181 25.6603 25.6603 30.4365 30.4365 31.0560 31.0560 k = 0.4366-0.3087 0.6124 ( 628 PWs) bands (ev): -39.2146 -39.2146 -15.5809 -15.5809 -13.1663 -13.1663 -13.1324 -13.1324 16.1816 16.1816 16.2156 16.2156 24.9160 24.9160 25.1163 25.1163 25.6620 25.6620 30.4606 30.4606 31.0849 31.0849 k = 0.4296-0.3038 0.6124 ( 638 PWs) bands (ev): -39.2169 -39.2169 -15.5785 -15.5785 -13.1673 -13.1673 -13.1255 -13.1255 16.2067 16.2067 16.2492 16.2492 24.7843 24.7843 25.0056 25.0056 25.6656 25.6656 30.4784 30.4784 31.1193 31.1193 k = 0.4225-0.2988 0.6124 ( 638 PWs) bands (ev): -39.2188 -39.2188 -15.5757 -15.5757 -13.1682 -13.1682 -13.1178 -13.1178 16.2342 16.2342 16.2862 16.2862 24.6452 24.6452 24.8875 24.8875 25.6706 25.6706 30.4897 30.4897 31.1589 31.1589 k = 0.4155-0.2938 0.6124 ( 638 PWs) bands (ev): -39.2209 -39.2209 -15.5727 -15.5727 -13.1691 -13.1691 -13.1094 -13.1094 16.2641 16.2641 16.3267 16.3267 24.5000 24.5000 24.7630 24.7630 25.6769 25.6769 30.4943 30.4943 31.2031 31.2031 k = 0.4085-0.2888 0.6124 ( 638 PWs) bands (ev): -39.2232 -39.2232 -15.5694 -15.5694 -13.1700 -13.1700 -13.1003 -13.1003 16.2961 16.2961 16.3707 16.3707 24.3496 24.3496 24.6332 24.6332 25.6841 25.6841 30.4926 30.4926 31.2512 31.2512 k = 0.4014-0.2838 0.6124 ( 638 PWs) bands (ev): -39.2256 -39.2256 -15.5660 -15.5660 -13.1710 -13.1710 -13.0905 -13.0905 16.3302 16.3302 16.4181 16.4181 24.1951 24.1951 24.4990 24.4990 25.6922 25.6922 30.4849 30.4849 31.3022 31.3022 k = 0.3944-0.2789 0.6124 ( 638 PWs) bands (ev): -39.2282 -39.2282 -15.5624 -15.5624 -13.1720 -13.1720 -13.0801 -13.0801 16.3663 16.3663 16.4688 16.4688 24.0373 24.0373 24.3613 24.3613 25.7011 25.7011 30.4717 30.4717 31.3555 31.3555 k = 0.3873-0.2739 0.6124 ( 638 PWs) bands (ev): -39.2309 -39.2309 -15.5586 -15.5586 -13.1730 -13.1730 -13.0691 -13.0691 16.4043 16.4043 16.5230 16.5230 23.8769 23.8769 24.2209 24.2209 25.7108 25.7108 30.4533 30.4533 31.4103 31.4103 k = 0.3803-0.2689 0.6124 ( 638 PWs) bands (ev): -39.2338 -39.2338 -15.5546 -15.5546 -13.1740 -13.1740 -13.0574 -13.0574 16.4439 16.4439 16.5804 16.5804 23.7144 23.7144 24.0785 24.0785 25.7211 25.7211 30.4301 30.4301 31.4662 31.4662 k = 0.3732-0.2639 0.6124 ( 638 PWs) bands (ev): -39.2368 -39.2368 -15.5506 -15.5506 -13.1750 -13.1750 -13.0452 -13.0452 16.4850 16.4850 16.6412 16.6412 23.5505 23.5505 23.9350 23.9350 25.7320 25.7320 30.4023 30.4023 31.5226 31.5226 k = 0.3662-0.2589 0.6124 ( 636 PWs) bands (ev): -39.2398 -39.2398 -15.5463 -15.5463 -13.1759 -13.1759 -13.0323 -13.0323 16.5275 16.5275 16.7053 16.7053 23.3856 23.3856 23.7909 23.7909 25.7436 25.7436 30.3699 30.3699 31.5791 31.5791 k = 0.3592-0.2540 0.6124 ( 636 PWs) bands (ev): -39.2431 -39.2431 -15.5420 -15.5420 -13.1768 -13.1768 -13.0189 -13.0189 16.5711 16.5711 16.7726 16.7726 23.2203 23.2203 23.6470 23.6470 25.7557 25.7557 30.3331 30.3331 31.6356 31.6356 k = 0.3521-0.2490 0.6124 ( 636 PWs) bands (ev): -39.2465 -39.2465 -15.5376 -15.5376 -13.1777 -13.1777 -13.0050 -13.0050 16.6156 16.6156 16.8432 16.8432 23.0547 23.0547 23.5040 23.5040 25.7683 25.7683 30.2919 30.2919 31.6918 31.6918 k = 0.3451-0.2440 0.6124 ( 636 PWs) bands (ev): -39.2500 -39.2500 -15.5331 -15.5331 -13.1785 -13.1785 -12.9906 -12.9906 16.6607 16.6607 16.9170 16.9170 22.8894 22.8894 23.3624 23.3624 25.7815 25.7815 30.2462 30.2462 31.7475 31.7475 k = 0.3380-0.2390 0.6124 ( 636 PWs) bands (ev): -39.2536 -39.2536 -15.5286 -15.5286 -13.1792 -13.1792 -12.9757 -12.9757 16.7062 16.7062 16.9939 16.9939 22.7246 22.7246 23.2229 23.2229 25.7951 25.7951 30.1961 30.1961 31.8026 31.8026 k = 0.3310-0.2340 0.6124 ( 636 PWs) bands (ev): -39.2573 -39.2573 -15.5240 -15.5240 -13.1799 -13.1799 -12.9603 -12.9603 16.7517 16.7517 17.0740 17.0740 22.5606 22.5606 23.0861 23.0861 25.8092 25.8092 30.1416 30.1416 31.8570 31.8570 k = 0.3239-0.2291 0.6124 ( 636 PWs) bands (ev): -39.2611 -39.2611 -15.5194 -15.5194 -13.1804 -13.1804 -12.9445 -12.9445 16.7970 16.7970 17.1572 17.1572 22.3976 22.3976 22.9527 22.9527 25.8236 25.8236 30.0824 30.0824 31.9107 31.9107 k = 0.3169-0.2241 0.6124 ( 636 PWs) bands (ev): -39.2649 -39.2649 -15.5148 -15.5148 -13.1809 -13.1809 -12.9283 -12.9283 16.8417 16.8417 17.2434 17.2434 22.2358 22.2358 22.8232 22.8232 25.8385 25.8385 30.0187 30.0187 31.9636 31.9636 k = 0.3099-0.2191 0.6124 ( 636 PWs) bands (ev): -39.2689 -39.2689 -15.5102 -15.5102 -13.1813 -13.1813 -12.9117 -12.9117 16.8854 16.8854 17.3326 17.3326 22.0756 22.0756 22.6984 22.6984 25.8537 25.8537 29.9504 29.9504 32.0157 32.0157 k = 0.3028-0.2141 0.6124 ( 634 PWs) bands (ev): -39.2728 -39.2728 -15.5056 -15.5056 -13.1815 -13.1815 -12.8947 -12.8947 16.9276 16.9276 17.4249 17.4249 21.9169 21.9169 22.5787 22.5787 25.8692 25.8692 29.8773 29.8773 32.0669 32.0669 k = 0.2958-0.2091 0.6124 ( 634 PWs) bands (ev): -39.2769 -39.2769 -15.5011 -15.5011 -13.1816 -13.1816 -12.8774 -12.8774 16.9680 16.9680 17.5200 17.5200 21.7601 21.7601 22.4649 22.4649 25.8851 25.8851 29.7996 29.7996 32.1173 32.1173 k = 0.2887-0.2042 0.6124 ( 634 PWs) bands (ev): -39.2810 -39.2810 -15.4966 -15.4966 -13.1816 -13.1816 -12.8598 -12.8598 17.0061 17.0061 17.6181 17.6181 21.6053 21.6053 22.3576 22.3576 25.9012 25.9012 29.7172 29.7172 32.1668 32.1668 k = 0.2817-0.1992 0.6124 ( 634 PWs) bands (ev): -39.2852 -39.2852 -15.4921 -15.4921 -13.1814 -13.1814 -12.8420 -12.8420 17.0414 17.0414 17.7190 17.7190 21.4527 21.4527 22.2574 22.2574 25.9175 25.9175 29.6301 29.6301 32.2154 32.2154 k = 0.2746-0.1942 0.6124 ( 628 PWs) bands (ev): -39.2890 -39.2890 -15.4877 -15.4877 -13.1811 -13.1811 -12.8238 -12.8238 17.0734 17.0734 17.8228 17.8228 21.3023 21.3023 22.1648 22.1648 25.9341 25.9341 29.5383 29.5383 32.2632 32.2632 k = 0.2676-0.1892 0.6124 ( 628 PWs) bands (ev): -39.2933 -39.2933 -15.4834 -15.4834 -13.1806 -13.1806 -12.8055 -12.8055 17.1018 17.1018 17.9293 17.9293 21.1543 21.1543 22.0806 22.0806 25.9508 25.9508 29.4418 29.4418 32.3101 32.3101 k = 0.2606-0.1842 0.6124 ( 628 PWs) bands (ev): -39.2975 -39.2975 -15.4792 -15.4792 -13.1801 -13.1801 -12.7871 -12.7871 17.1259 17.1259 18.0385 18.0385 21.0088 21.0088 22.0052 22.0052 25.9676 25.9676 29.3407 29.3407 32.3562 32.3562 k = 0.2535-0.1793 0.6124 ( 628 PWs) bands (ev): -39.3018 -39.3018 -15.4752 -15.4752 -13.1793 -13.1793 -12.7685 -12.7685 17.1454 17.1454 18.1505 18.1505 20.8660 20.8660 21.9390 21.9390 25.9846 25.9846 29.2351 29.2351 32.4014 32.4014 k = 0.2465-0.1743 0.6124 ( 624 PWs) bands (ev): -39.3058 -39.3058 -15.4712 -15.4712 -13.1784 -13.1784 -12.7498 -12.7498 17.1600 17.1600 18.2651 18.2651 20.7260 20.7260 21.8827 21.8827 26.0016 26.0016 29.1251 29.1251 32.4457 32.4457 k = 0.2394-0.1693 0.6124 ( 628 PWs) bands (ev): -39.3103 -39.3103 -15.4675 -15.4675 -13.1775 -13.1775 -12.7312 -12.7312 17.1693 17.1693 18.3822 18.3822 20.5888 20.5888 21.8363 21.8363 26.0187 26.0187 29.0107 29.0107 32.4891 32.4891 k = 0.2324-0.1643 0.6124 ( 628 PWs) bands (ev): -39.3145 -39.3145 -15.4638 -15.4638 -13.1763 -13.1763 -12.7125 -12.7125 17.1731 17.1731 18.5019 18.5019 20.4545 20.4545 21.8003 21.8003 26.0357 26.0357 28.8920 28.8920 32.5317 32.5317 k = 0.2254-0.1593 0.6124 ( 628 PWs) bands (ev): -39.3187 -39.3187 -15.4602 -15.4602 -13.1751 -13.1751 -12.6938 -12.6938 17.1713 17.1713 18.6241 18.6241 20.3234 20.3234 21.7747 21.7747 26.0528 26.0528 28.7693 28.7693 32.5734 32.5734 k = 0.2183-0.1544 0.6124 ( 628 PWs) bands (ev): -39.3229 -39.3229 -15.4568 -15.4568 -13.1736 -13.1736 -12.6751 -12.6751 17.1640 17.1640 18.7488 18.7488 20.1954 20.1954 21.7595 21.7595 26.0697 26.0697 28.6425 28.6425 32.6142 32.6142 k = 0.2113-0.1494 0.6124 ( 632 PWs) bands (ev): -39.3272 -39.3272 -15.4536 -15.4536 -13.1721 -13.1721 -12.6567 -12.6567 17.1510 17.1510 18.8759 18.8759 20.0706 20.0706 21.7546 21.7546 26.0866 26.0866 28.5120 28.5120 32.6541 32.6541 k = 0.2042-0.1444 0.6124 ( 632 PWs) bands (ev): -39.3313 -39.3313 -15.4505 -15.4505 -13.1704 -13.1704 -12.6383 -12.6383 17.1328 17.1328 19.0052 19.0052 19.9492 19.9492 21.7597 21.7597 26.1033 26.1033 28.3777 28.3777 32.6931 32.6931 k = 0.1972-0.1394 0.6124 ( 632 PWs) bands (ev): -39.3354 -39.3354 -15.4476 -15.4476 -13.1687 -13.1687 -12.6201 -12.6201 17.1096 17.1096 19.1369 19.1369 19.8312 19.8312 21.7744 21.7744 26.1199 26.1199 28.2400 28.2400 32.7311 32.7311 k = 0.1901-0.1344 0.6124 ( 632 PWs) bands (ev): -39.3393 -39.3393 -15.4448 -15.4448 -13.1668 -13.1668 -12.6021 -12.6021 17.0817 17.0817 19.2709 19.2709 19.7166 19.7166 21.7983 21.7983 26.1362 26.1362 28.0989 28.0989 32.7682 32.7682 k = 0.1831-0.1295 0.6124 ( 632 PWs) bands (ev): -39.3432 -39.3432 -15.4421 -15.4421 -13.1648 -13.1648 -12.5843 -12.5843 17.0497 17.0497 19.4069 19.4069 19.6056 19.6056 21.8308 21.8308 26.1523 26.1523 27.9547 27.9547 32.8044 32.8044 k = 0.1761-0.1245 0.6124 ( 632 PWs) bands (ev): -39.3471 -39.3471 -15.4396 -15.4396 -13.1627 -13.1627 -12.5668 -12.5668 17.0139 17.0139 19.4981 19.4981 19.5454 19.5454 21.8713 21.8713 26.1681 26.1681 27.8075 27.8075 32.8395 32.8395 k = 0.1690-0.1195 0.6124 ( 636 PWs) bands (ev): -39.3510 -39.3510 -15.4373 -15.4373 -13.1606 -13.1606 -12.5497 -12.5497 16.9750 16.9750 19.3945 19.3945 19.6856 19.6856 21.9190 21.9190 26.1836 26.1836 27.6575 27.6575 32.8736 32.8736 k = 0.1620-0.1145 0.6124 ( 636 PWs) bands (ev): -39.3546 -39.3546 -15.4351 -15.4351 -13.1584 -13.1584 -12.5329 -12.5329 16.9335 16.9335 19.2946 19.2946 19.8279 19.8279 21.9733 21.9733 26.1987 26.1987 27.5049 27.5049 32.9068 32.9068 k = 0.1549-0.1096 0.6124 ( 628 PWs) bands (ev): -39.3578 -39.3578 -15.4329 -15.4329 -13.1560 -13.1560 -12.5164 -12.5164 16.8899 16.8899 19.1985 19.1985 19.9722 19.9722 22.0334 22.0334 26.2134 26.2134 27.3499 27.3499 32.9388 32.9388 k = 0.1479-0.1046 0.6124 ( 624 PWs) bands (ev): -39.3610 -39.3610 -15.4309 -15.4309 -13.1537 -13.1537 -12.5004 -12.5004 16.8448 16.8448 19.1063 19.1063 20.1183 20.1183 22.0985 22.0985 26.2275 26.2275 27.1927 27.1927 32.9698 32.9698 k = 0.1408-0.0996 0.6124 ( 624 PWs) bands (ev): -39.3643 -39.3643 -15.4291 -15.4291 -13.1514 -13.1514 -12.4849 -12.4849 16.7988 16.7988 19.0180 19.0180 20.2663 20.2663 22.1678 22.1678 26.2411 26.2411 27.0336 27.0336 32.9997 32.9997 k = 0.1338-0.0946 0.6124 ( 624 PWs) bands (ev): -39.3675 -39.3675 -15.4275 -15.4275 -13.1491 -13.1491 -12.4699 -12.4699 16.7522 16.7522 18.9337 18.9337 20.4161 20.4161 22.2405 22.2405 26.2539 26.2539 26.8728 26.8728 33.0284 33.0284 k = 0.1268-0.0896 0.6124 ( 624 PWs) bands (ev): -39.3706 -39.3706 -15.4260 -15.4260 -13.1468 -13.1468 -12.4554 -12.4554 16.7055 16.7055 18.8535 18.8535 20.5675 20.5675 22.3160 22.3160 26.2655 26.2655 26.7110 26.7110 33.0560 33.0560 k = 0.1197-0.0847 0.6124 ( 624 PWs) bands (ev): -39.3735 -39.3735 -15.4246 -15.4246 -13.1445 -13.1445 -12.4415 -12.4415 16.6593 16.6593 18.7773 18.7773 20.7205 20.7205 22.3933 22.3933 26.2747 26.2747 26.5496 26.5496 33.0825 33.0825 k = 0.1127-0.0797 0.6124 ( 624 PWs) bands (ev): -39.3763 -39.3763 -15.4233 -15.4233 -13.1423 -13.1423 -12.4282 -12.4282 16.6138 16.6138 18.7052 18.7052 20.8751 20.8751 22.4718 22.4718 26.2726 26.2726 26.3975 26.3975 33.1078 33.1078 k = 0.1056-0.0747 0.6124 ( 624 PWs) bands (ev): -39.3790 -39.3790 -15.4222 -15.4222 -13.1401 -13.1401 -12.4156 -12.4156 16.5695 16.5695 18.6373 18.6373 21.0311 21.0311 22.5506 22.5506 26.1876 26.1876 26.3266 26.3266 33.1319 33.1319 k = 0.0986-0.0697 0.6124 ( 624 PWs) bands (ev): -39.3815 -39.3815 -15.4212 -15.4212 -13.1380 -13.1380 -12.4036 -12.4036 16.5267 16.5267 18.5736 18.5736 21.1885 21.1885 22.6290 22.6290 26.0306 26.0306 26.3261 26.3261 33.1549 33.1549 k = 0.0915-0.0647 0.6124 ( 624 PWs) bands (ev): -39.3839 -39.3839 -15.4202 -15.4202 -13.1360 -13.1360 -12.3923 -12.3923 16.4856 16.4856 18.5141 18.5141 21.3471 21.3471 22.7062 22.7062 25.8644 25.8644 26.3332 26.3332 33.1766 33.1766 k = 0.0845-0.0598 0.6124 ( 616 PWs) bands (ev): -39.3857 -39.3857 -15.4192 -15.4192 -13.1339 -13.1339 -12.3817 -12.3817 16.4467 16.4467 18.4589 18.4589 21.5067 21.5067 22.7816 22.7816 25.6959 25.6959 26.3414 26.3414 33.1972 33.1972 k = 0.0775-0.0548 0.6124 ( 620 PWs) bands (ev): -39.3879 -39.3879 -15.4185 -15.4185 -13.1321 -13.1321 -12.3719 -12.3719 16.4100 16.4100 18.4080 18.4080 21.6674 21.6674 22.8543 22.8543 25.5264 25.5264 26.3496 26.3496 33.2166 33.2166 k = 0.0704-0.0498 0.6124 ( 620 PWs) bands (ev): -39.3898 -39.3898 -15.4179 -15.4179 -13.1304 -13.1304 -12.3629 -12.3629 16.3758 16.3758 18.3614 18.3614 21.8288 21.8288 22.9236 22.9236 25.3565 25.3565 26.3573 26.3573 33.2349 33.2349 k = 0.0634-0.0448 0.6124 ( 620 PWs) bands (ev): -39.3915 -39.3915 -15.4173 -15.4173 -13.1288 -13.1288 -12.3546 -12.3546 16.3444 16.3444 18.3192 18.3192 21.9907 21.9907 22.9889 22.9889 25.1865 25.1865 26.3645 26.3645 33.2521 33.2521 k = 0.0563-0.0398 0.6124 ( 624 PWs) bands (ev): -39.3933 -39.3933 -15.4168 -15.4168 -13.1274 -13.1274 -12.3473 -12.3473 16.3158 16.3158 18.2814 18.2814 22.1528 22.1528 23.0495 23.0495 25.0171 25.0171 26.3710 26.3710 33.2683 33.2683 k = 0.0493-0.0349 0.6124 ( 624 PWs) bands (ev): -39.3947 -39.3947 -15.4164 -15.4164 -13.1261 -13.1261 -12.3407 -12.3407 16.2903 16.2903 18.2479 18.2479 22.3147 22.3147 23.1046 23.1046 24.8486 24.8486 26.3768 26.3768 33.2835 33.2835 k = 0.0423-0.0299 0.6124 ( 624 PWs) bands (ev): -39.3958 -39.3958 -15.4160 -15.4160 -13.1250 -13.1250 -12.3349 -12.3349 16.2679 16.2679 18.2189 18.2189 22.4757 22.4757 23.1537 23.1537 24.6818 24.6818 26.3819 26.3819 33.2977 33.2977 k = 0.0352-0.0249 0.6124 ( 624 PWs) bands (ev): -39.3969 -39.3969 -15.4157 -15.4157 -13.1240 -13.1240 -12.3300 -12.3300 16.2488 16.2488 18.1943 18.1943 22.6346 22.6346 23.1962 23.1962 24.5180 24.5180 26.3863 26.3863 33.3110 33.3110 k = 0.0282-0.0199 0.6124 ( 624 PWs) bands (ev): -39.3977 -39.3977 -15.4155 -15.4155 -13.1232 -13.1232 -12.3260 -12.3260 16.2330 16.2330 18.1742 18.1742 22.7896 22.7896 23.2316 23.2316 24.3591 24.3591 26.3899 26.3899 33.3233 33.3233 k = 0.0211-0.0149 0.6124 ( 624 PWs) bands (ev): -39.3983 -39.3983 -15.4153 -15.4153 -13.1225 -13.1225 -12.3229 -12.3229 16.2207 16.2207 18.1585 18.1585 22.9370 22.9370 23.2593 23.2593 24.2089 24.2089 26.3927 26.3927 33.3342 33.3342 k = 0.0141-0.0100 0.6124 ( 628 PWs) bands (ev): -39.3990 -39.3990 -15.4152 -15.4152 -13.1222 -13.1222 -12.3207 -12.3207 16.2119 16.2119 18.1473 18.1473 23.0694 23.0694 23.2786 23.2786 24.0752 24.0752 26.3947 26.3947 33.3431 33.3431 k = 0.0070-0.0050 0.6124 ( 630 PWs) bands (ev): -39.3994 -39.3994 -15.4151 -15.4151 -13.1219 -13.1219 -12.3194 -12.3194 16.2065 16.2065 18.1406 18.1406 23.1710 23.1710 23.2886 23.2886 23.9745 23.9745 26.3959 26.3959 33.3491 33.3491 k = 0.0000 0.0000 0.6124 ( 630 PWs) bands (ev): -39.3995 -39.3995 -15.4151 -15.4151 -13.1218 -13.1218 -12.3190 -12.3190 16.2048 16.2048 18.1384 18.1384 23.2126 23.2126 23.2903 23.2903 23.9349 23.9349 26.3963 26.3963 33.3513 33.3513 k = 0.0000 0.0000 0.6124 ( 630 PWs) bands (ev): -39.3995 -39.3995 -15.4151 -15.4151 -13.1218 -13.1218 -12.3190 -12.3190 16.2048 16.2048 18.1384 18.1384 23.2126 23.2126 23.2903 23.2903 23.9349 23.9349 26.3963 26.3963 33.3513 33.3513 k = 0.0000 0.0000 0.6037 ( 628 PWs) bands (ev): -39.3995 -39.3995 -15.4147 -15.4147 -13.1214 -13.1214 -12.3189 -12.3189 16.2057 16.2057 18.1392 18.1392 23.1917 23.1917 23.3044 23.3044 23.9342 23.9342 26.3911 26.3911 33.3578 33.3578 k = 0.0000 0.0000 0.5951 ( 626 PWs) bands (ev): -39.3998 -39.3998 -15.4134 -15.4134 -13.1201 -13.1201 -12.3186 -12.3186 16.2083 16.2083 18.1417 18.1417 23.1473 23.1473 23.3287 23.3287 23.9323 23.9323 26.3757 26.3757 33.3772 33.3772 k = 0.0000 0.0000 0.5865 ( 626 PWs) bands (ev): -39.4005 -39.4005 -15.4115 -15.4115 -13.1181 -13.1181 -12.3181 -12.3181 16.2127 16.2127 18.1457 18.1457 23.0919 23.0919 23.3507 23.3507 23.9290 23.9290 26.3502 26.3502 33.4094 33.4094 k = 0.0000 0.0000 0.5779 ( 626 PWs) bands (ev): -39.4015 -39.4015 -15.4087 -15.4087 -13.1153 -13.1153 -12.3176 -12.3176 16.2188 16.2188 18.1515 18.1515 23.0281 23.0281 23.3683 23.3683 23.9244 23.9244 26.3147 26.3147 33.4540 33.4540 k = 0.0000 0.0000 0.5692 ( 626 PWs) bands (ev): -39.4027 -39.4027 -15.4052 -15.4052 -13.1117 -13.1117 -12.3168 -12.3168 16.2265 16.2265 18.1588 18.1588 22.9568 22.9568 23.3809 23.3809 23.9186 23.9186 26.2696 26.2696 33.5105 33.5105 k = 0.0000 0.0000 0.5606 ( 626 PWs) bands (ev): -39.4042 -39.4042 -15.4009 -15.4009 -13.1073 -13.1073 -12.3159 -12.3159 16.2359 16.2359 18.1677 18.1677 22.8784 22.8784 23.3888 23.3888 23.9114 23.9114 26.2152 26.2152 33.5782 33.5782 k = 0.0000 0.0000 0.5520 ( 626 PWs) bands (ev): -39.4060 -39.4060 -15.3958 -15.3958 -13.1021 -13.1021 -12.3148 -12.3148 16.2469 16.2469 18.1783 18.1783 22.7932 22.7932 23.3922 23.3922 23.9029 23.9029 26.1519 26.1519 33.6559 33.6559 k = 0.0000 0.0000 0.5434 ( 634 PWs) bands (ev): -39.4084 -39.4084 -15.3902 -15.3902 -13.0963 -13.0963 -12.3136 -12.3136 16.2593 16.2593 18.1905 18.1905 22.7018 22.7018 23.3915 23.3915 23.8932 23.8932 26.0801 26.0801 33.7418 33.7418 k = 0.0000 0.0000 0.5347 ( 630 PWs) bands (ev): -39.4105 -39.4105 -15.3836 -15.3836 -13.0895 -13.0895 -12.3121 -12.3121 16.2731 16.2731 18.2042 18.2042 22.6044 22.6044 23.3869 23.3869 23.8823 23.8823 26.0005 26.0005 33.8318 33.8318 k = 0.0000 0.0000 0.5261 ( 630 PWs) bands (ev): -39.4130 -39.4130 -15.3764 -15.3764 -13.0819 -13.0819 -12.3105 -12.3105 16.2881 16.2881 18.2195 18.2195 22.5017 22.5017 23.3788 23.3788 23.8702 23.8702 25.9134 25.9134 33.9184 33.9184 k = 0.0000 0.0000 0.5175 ( 630 PWs) bands (ev): -39.4158 -39.4158 -15.3684 -15.3684 -13.0736 -13.0736 -12.3088 -12.3088 16.3043 16.3043 18.2364 18.2364 22.3941 22.3941 23.3674 23.3674 23.8570 23.8570 25.8195 25.8195 33.9977 33.9977 k = 0.0000 0.0000 0.5089 ( 630 PWs) bands (ev): -39.4188 -39.4188 -15.3598 -15.3598 -13.0646 -13.0646 -12.3069 -12.3069 16.3215 16.3215 18.2548 18.2548 22.2822 22.2822 23.3532 23.3532 23.8428 23.8428 25.7192 25.7192 34.0742 34.0742 k = 0.0000 0.0000 0.5002 ( 630 PWs) bands (ev): -39.4221 -39.4221 -15.3506 -15.3506 -13.0547 -13.0547 -12.3048 -12.3048 16.3396 16.3396 18.2747 18.2747 22.1666 22.1666 23.3363 23.3363 23.8276 23.8276 25.6132 25.6132 34.1520 34.1520 k = 0.0000 0.0000 0.4916 ( 622 PWs) bands (ev): -39.4251 -39.4251 -15.3405 -15.3405 -13.0440 -13.0440 -12.3025 -12.3025 16.3582 16.3582 18.2961 18.2961 22.0479 22.0479 23.3170 23.3170 23.8116 23.8116 25.5020 25.5020 34.2332 34.2332 k = 0.0000 0.0000 0.4830 ( 626 PWs) bands (ev): -39.4291 -39.4291 -15.3302 -15.3302 -13.0328 -13.0328 -12.3002 -12.3002 16.3773 16.3773 18.3190 18.3190 21.9268 21.9268 23.2956 23.2956 23.7947 23.7947 25.3861 25.3861 34.3182 34.3182 k = 0.0000 0.0000 0.4744 ( 626 PWs) bands (ev): -39.4330 -39.4330 -15.3191 -15.3191 -13.0208 -13.0208 -12.2977 -12.2977 16.3966 16.3966 18.3433 18.3433 21.8039 21.8039 23.2723 23.2723 23.7772 23.7772 25.2661 25.2661 34.4072 34.4072 k = 0.0000 0.0000 0.4657 ( 628 PWs) bands (ev): -39.4372 -39.4372 -15.3076 -15.3076 -13.0081 -13.0081 -12.2951 -12.2951 16.4159 16.4159 18.3691 18.3691 21.6800 21.6800 23.2473 23.2473 23.7591 23.7591 25.1424 25.1424 34.5002 34.5002 k = 0.0000 0.0000 0.4571 ( 628 PWs) bands (ev): -39.4415 -39.4415 -15.2955 -15.2955 -12.9947 -12.9947 -12.2923 -12.2923 16.4348 16.4348 18.3962 18.3962 21.5556 21.5556 23.2208 23.2208 23.7406 23.7406 25.0155 25.0155 34.5970 34.5970 k = 0.0000 0.0000 0.4485 ( 628 PWs) bands (ev): -39.4460 -39.4460 -15.2829 -15.2829 -12.9806 -12.9806 -12.2894 -12.2894 16.4531 16.4531 18.4247 18.4247 21.4314 21.4314 23.1930 23.1930 23.7215 23.7215 24.8860 24.8860 34.6973 34.6973 k = 0.0000 0.0000 0.4399 ( 632 PWs) bands (ev): -39.4509 -39.4509 -15.2699 -15.2699 -12.9658 -12.9658 -12.2864 -12.2864 16.4703 16.4703 18.4546 18.4546 21.3082 21.3082 23.1642 23.1642 23.7022 23.7022 24.7543 24.7543 34.8010 34.8010 k = 0.0000 0.0000 0.4312 ( 632 PWs) bands (ev): -39.4558 -39.4558 -15.2565 -15.2565 -12.9504 -12.9504 -12.2832 -12.2832 16.4862 16.4862 18.4857 18.4857 21.1866 21.1866 23.1345 23.1345 23.6826 23.6826 24.6208 24.6208 34.9078 34.9078 k = 0.0000 0.0000 0.4226 ( 626 PWs) bands (ev): -39.4605 -39.4605 -15.2425 -15.2425 -12.9342 -12.9342 -12.2798 -12.2798 16.5002 16.5002 18.5181 18.5181 21.0674 21.0674 23.1042 23.1042 23.6627 23.6627 24.4859 24.4859 35.0173 35.0173 k = 0.0000 0.0000 0.4140 ( 626 PWs) bands (ev): -39.4657 -39.4657 -15.2283 -15.2283 -12.9176 -12.9176 -12.2764 -12.2764 16.5120 16.5120 18.5517 18.5517 20.9512 20.9512 23.0733 23.0733 23.6427 23.6427 24.3501 24.3501 35.1291 35.1291 k = 0.0000 0.0000 0.4054 ( 626 PWs) bands (ev): -39.4710 -39.4710 -15.2138 -15.2138 -12.9003 -12.9003 -12.2728 -12.2728 16.5211 16.5211 18.5865 18.5865 20.8388 20.8388 23.0422 23.0422 23.6224 23.6224 24.2138 24.2138 35.2429 35.2429 k = 0.0000 0.0000 0.3967 ( 626 PWs) bands (ev): -39.4764 -39.4764 -15.1990 -15.1990 -12.8824 -12.8824 -12.2691 -12.2691 16.5270 16.5270 18.6224 18.6224 20.7308 20.7308 23.0109 23.0109 23.6018 23.6018 24.0776 24.0776 35.3582 35.3582 k = 0.0000 0.0000 0.3881 ( 626 PWs) bands (ev): -39.4820 -39.4820 -15.1840 -15.1840 -12.8641 -12.8641 -12.2653 -12.2653 16.5292 16.5292 18.6594 18.6594 20.6280 20.6280 22.9797 22.9797 23.5804 23.5804 23.9423 23.9423 35.4747 35.4747 k = 0.0000 0.0000 0.3795 ( 626 PWs) bands (ev): -39.4876 -39.4876 -15.1687 -15.1687 -12.8452 -12.8452 -12.2615 -12.2615 16.5273 16.5273 18.6975 18.6975 20.5310 20.5310 22.9487 22.9487 23.5569 23.5569 23.8096 23.8096 35.5917 35.5917 k = 0.0000 0.0000 0.3709 ( 626 PWs) bands (ev): -39.4934 -39.4934 -15.1533 -15.1533 -12.8257 -12.8257 -12.2576 -12.2576 16.5207 16.5207 18.7365 18.7365 20.4403 20.4403 22.9182 22.9182 23.5263 23.5263 23.6847 23.6847 35.7089 35.7089 k = 0.0000 0.0000 0.3622 ( 626 PWs) bands (ev): -39.4992 -39.4992 -15.1377 -15.1377 -12.8059 -12.8059 -12.2535 -12.2535 16.5090 16.5090 18.7765 18.7765 20.3565 20.3565 22.8882 22.8882 23.4680 23.4680 23.5887 23.5887 35.8256 35.8256 k = 0.0000 0.0000 0.3536 ( 626 PWs) bands (ev): -39.5051 -39.5051 -15.1220 -15.1220 -12.7856 -12.7856 -12.2494 -12.2494 16.4919 16.4919 18.8173 18.8173 20.2802 20.2802 22.8590 22.8590 23.3625 23.3625 23.5413 23.5413 35.9411 35.9411 k = 0.0000 0.0000 0.3450 ( 626 PWs) bands (ev): -39.5111 -39.5111 -15.1063 -15.1063 -12.7649 -12.7649 -12.2451 -12.2451 16.4690 16.4690 18.8589 18.8589 20.2116 20.2116 22.8305 22.8305 23.2378 23.2378 23.5149 23.5149 36.0550 36.0550 k = 0.0000 0.0000 0.3364 ( 627 PWs) bands (ev): -39.5171 -39.5171 -15.0905 -15.0905 -12.7439 -12.7439 -12.2409 -12.2409 16.4401 16.4401 18.9013 18.9013 20.1511 20.1511 22.8028 22.8028 23.1096 23.1096 23.4944 23.4944 36.1663 36.1663 k = 0.0000 0.0000 0.3277 ( 627 PWs) bands (ev): -39.5232 -39.5232 -15.0747 -15.0747 -12.7225 -12.7225 -12.2365 -12.2365 16.4052 16.4052 18.9444 18.9444 20.0986 20.0986 22.7753 22.7753 22.9823 22.9823 23.4763 23.4763 36.2746 36.2746 k = 0.0000 0.0000 0.3191 ( 627 PWs) bands (ev): -39.5292 -39.5292 -15.0590 -15.0590 -12.7008 -12.7008 -12.2321 -12.2321 16.3643 16.3643 18.9881 18.9881 20.0543 20.0543 22.7450 22.7450 22.8603 22.8603 23.4597 23.4597 36.3789 36.3789 k = 0.0000 0.0000 0.3105 ( 627 PWs) bands (ev): -39.5353 -39.5353 -15.0433 -15.0433 -12.6788 -12.6788 -12.2277 -12.2277 16.3174 16.3174 19.0323 19.0323 20.0179 20.0179 22.6894 22.6894 22.7668 22.7668 23.4440 23.4440 36.4784 36.4784 k = 0.0000 0.0000 0.3019 ( 627 PWs) bands (ev): -39.5414 -39.5414 -15.0277 -15.0277 -12.6567 -12.6567 -12.2231 -12.2231 16.2650 16.2650 19.0770 19.0770 19.9891 19.9891 22.5828 22.5828 22.7281 22.7281 23.4293 23.4293 36.5727 36.5727 k = 0.0000 0.0000 0.2932 ( 627 PWs) bands (ev): -39.5474 -39.5474 -15.0122 -15.0122 -12.6344 -12.6344 -12.2186 -12.2186 16.2073 16.2073 19.1220 19.1220 19.9675 19.9675 22.4637 22.4637 22.7061 22.7061 23.4154 23.4154 36.6605 36.6605 k = 0.0000 0.0000 0.2846 ( 627 PWs) bands (ev): -39.5535 -39.5535 -14.9969 -14.9969 -12.6120 -12.6120 -12.2141 -12.2141 16.1448 16.1448 19.1674 19.1674 19.9526 19.9526 22.3441 22.3441 22.6892 22.6892 23.4023 23.4023 36.7414 36.7414 k = 0.0000 0.0000 0.2760 ( 627 PWs) bands (ev): -39.5595 -39.5595 -14.9818 -14.9818 -12.5894 -12.5894 -12.2096 -12.2096 16.0780 16.0780 19.2130 19.2130 19.9438 19.9438 22.2261 22.2261 22.6757 22.6757 23.3899 23.3899 36.8146 36.8146 k = 0.0000 0.0000 0.2674 ( 627 PWs) bands (ev): -39.5654 -39.5654 -14.9668 -14.9668 -12.5669 -12.5669 -12.2051 -12.2051 16.0074 16.0074 19.2588 19.2588 19.9403 19.9403 22.1101 22.1101 22.6653 22.6653 23.3782 23.3782 36.8796 36.8796 k = 0.0000 0.0000 0.2587 ( 625 PWs) bands (ev): -39.5712 -39.5712 -14.9521 -14.9521 -12.5443 -12.5443 -12.2005 -12.2005 15.9338 15.9338 19.3045 19.3045 19.9417 19.9417 21.9967 21.9967 22.6580 22.6580 23.3673 23.3673 36.9360 36.9360 k = 0.0000 0.0000 0.2501 ( 629 PWs) bands (ev): -39.5773 -39.5773 -14.9378 -14.9378 -12.5218 -12.5218 -12.1961 -12.1961 15.8576 15.8576 19.3502 19.3502 19.9470 19.9470 21.8859 21.8859 22.6538 22.6538 23.3571 23.3571 36.9834 36.9834 k = 0.0000 0.0000 0.2415 ( 629 PWs) bands (ev): -39.5830 -39.5830 -14.9236 -14.9236 -12.4995 -12.4995 -12.1916 -12.1916 15.7794 15.7794 19.3958 19.3958 19.9557 19.9557 21.7780 21.7780 22.6528 22.6528 23.3475 23.3475 37.0217 37.0217 k = 0.0000 0.0000 0.2329 ( 629 PWs) bands (ev): -39.5886 -39.5886 -14.9098 -14.9098 -12.4772 -12.4772 -12.1872 -12.1872 15.6999 15.6999 19.4411 19.4411 19.9671 19.9671 21.6730 21.6730 22.6550 22.6550 23.3387 23.3387 37.0510 37.0510 k = 0.0000 0.0000 0.2242 ( 629 PWs) bands (ev): -39.5942 -39.5942 -14.8963 -14.8963 -12.4552 -12.4552 -12.1828 -12.1828 15.6195 15.6195 19.4860 19.4860 19.9806 19.9806 21.5710 21.5710 22.6606 22.6606 23.3305 23.3305 37.0715 37.0715 k = 0.0000 0.0000 0.2156 ( 625 PWs) bands (ev): -39.5994 -39.5994 -14.8831 -14.8831 -12.4334 -12.4334 -12.1784 -12.1784 15.5388 15.5388 19.5305 19.5305 19.9956 19.9956 21.4723 21.4723 22.6696 22.6696 23.3229 23.3229 37.0837 37.0837 k = 0.0000 0.0000 0.2070 ( 625 PWs) bands (ev): -39.6047 -39.6047 -14.8704 -14.8704 -12.4119 -12.4119 -12.1741 -12.1741 15.4582 15.4582 19.5744 19.5744 20.0115 20.0115 21.3768 21.3768 22.6818 22.6818 23.3160 23.3160 37.0878 37.0878 k = 0.0000 0.0000 0.1984 ( 625 PWs) bands (ev): -39.6099 -39.6099 -14.8580 -14.8580 -12.3908 -12.3908 -12.1699 -12.1699 15.3783 15.3783 19.6176 19.6176 20.0279 20.0279 21.2847 21.2847 22.6973 22.6973 23.3097 23.3097 37.0847 37.0847 k = 0.0000 0.0000 0.1897 ( 625 PWs) bands (ev): -39.6149 -39.6149 -14.8460 -14.8460 -12.3702 -12.3702 -12.1658 -12.1658 15.2993 15.2993 19.6600 19.6600 20.0444 20.0444 21.1960 21.1960 22.7159 22.7159 23.3039 23.3039 37.0750 37.0750 k = 0.0000 0.0000 0.1811 ( 625 PWs) bands (ev): -39.6198 -39.6198 -14.8345 -14.8345 -12.3500 -12.3500 -12.1618 -12.1618 15.2217 15.2217 19.7015 19.7015 20.0606 20.0606 21.1108 21.1108 22.7375 22.7375 23.2987 23.2987 37.0596 37.0596 k = 0.0000 0.0000 0.1725 ( 625 PWs) bands (ev): -39.6245 -39.6245 -14.8235 -14.8235 -12.3304 -12.3304 -12.1578 -12.1578 15.1459 15.1459 19.7420 19.7420 20.0763 20.0763 21.0293 21.0293 22.7619 22.7619 23.2940 23.2940 37.0392 37.0392 k = 0.0000 0.0000 0.1639 ( 625 PWs) bands (ev): -39.6291 -39.6291 -14.8129 -14.8129 -12.3113 -12.3113 -12.1540 -12.1540 15.0721 15.0721 19.7812 19.7812 20.0913 20.0913 20.9514 20.9514 22.7889 22.7889 23.2898 23.2898 37.0147 37.0147 k = 0.0000 0.0000 0.1552 ( 625 PWs) bands (ev): -39.6334 -39.6334 -14.8027 -14.8027 -12.2929 -12.2929 -12.1504 -12.1504 15.0006 15.0006 19.8192 19.8192 20.1054 20.1054 20.8773 20.8773 22.8180 22.8180 23.2860 23.2860 36.9868 36.9868 k = 0.0000 0.0000 0.1466 ( 625 PWs) bands (ev): -39.6376 -39.6376 -14.7931 -14.7931 -12.2751 -12.2751 -12.1469 -12.1469 14.9317 14.9317 19.8558 19.8558 20.1185 20.1185 20.8070 20.8070 22.8490 22.8490 23.2827 23.2827 36.9565 36.9565 k = 0.0000 0.0000 0.1380 ( 625 PWs) bands (ev): -39.6416 -39.6416 -14.7839 -14.7839 -12.2581 -12.2581 -12.1435 -12.1435 14.8656 14.8656 19.8908 19.8908 20.1305 20.1305 20.7407 20.7407 22.8816 22.8816 23.2798 23.2798 36.9243 36.9243 k = 0.0000 0.0000 0.1294 ( 625 PWs) bands (ev): -39.6454 -39.6454 -14.7752 -14.7752 -12.2418 -12.2418 -12.1403 -12.1403 14.8025 14.8025 19.9241 19.9241 20.1413 20.1413 20.6783 20.6783 22.9152 22.9152 23.2773 23.2773 36.8909 36.8909 k = 0.0000 0.0000 0.1207 ( 621 PWs) bands (ev): -39.6487 -39.6487 -14.7670 -14.7670 -12.2262 -12.2262 -12.1372 -12.1372 14.7427 14.7427 19.9556 19.9556 20.1511 20.1511 20.6201 20.6201 22.9496 22.9496 23.2751 23.2751 36.8571 36.8571 k = 0.0000 0.0000 0.1121 ( 621 PWs) bands (ev): -39.6521 -39.6521 -14.7594 -14.7594 -12.2116 -12.2116 -12.1343 -12.1343 14.6864 14.6864 19.9851 19.9851 20.1596 20.1596 20.5660 20.5660 22.9841 22.9841 23.2732 23.2732 36.8234 36.8234 k = 0.0000 0.0000 0.1035 ( 621 PWs) bands (ev): -39.6552 -39.6552 -14.7523 -14.7523 -12.1979 -12.1979 -12.1316 -12.1316 14.6336 14.6336 20.0125 20.0125 20.1670 20.1670 20.5163 20.5163 23.0185 23.0185 23.2716 23.2716 36.7903 36.7903 k = 0.0000 0.0000 0.0949 ( 621 PWs) bands (ev): -39.6581 -39.6581 -14.7458 -14.7458 -12.1852 -12.1852 -12.1291 -12.1291 14.5845 14.5845 20.0376 20.0376 20.1733 20.1733 20.4711 20.4711 23.0521 23.0521 23.2702 23.2702 36.7582 36.7582 k = 0.0000 0.0000 0.0862 ( 623 PWs) bands (ev): -39.6609 -39.6609 -14.7399 -14.7399 -12.1733 -12.1733 -12.1269 -12.1269 14.5393 14.5393 20.0604 20.0604 20.1782 20.1782 20.4307 20.4307 23.0846 23.0846 23.2690 23.2690 36.7276 36.7276 k = 0.0000 0.0000 0.0776 ( 623 PWs) bands (ev): -39.6633 -39.6633 -14.7344 -14.7344 -12.1626 -12.1626 -12.1248 -12.1248 14.4981 14.4981 20.0806 20.0806 20.1818 20.1818 20.3954 20.3954 23.1156 23.1156 23.2681 23.2681 36.6989 36.6989 k = 0.0000 0.0000 0.0690 ( 623 PWs) bands (ev): -39.6655 -39.6655 -14.7295 -14.7295 -12.1529 -12.1529 -12.1229 -12.1229 14.4609 14.4609 20.0982 20.0982 20.1836 20.1836 20.3655 20.3655 23.1446 23.1446 23.2673 23.2673 36.6724 36.6724 k = 0.0000 0.0000 0.0604 ( 623 PWs) bands (ev): -39.6674 -39.6674 -14.7252 -14.7252 -12.1442 -12.1442 -12.1212 -12.1212 14.4279 14.4279 20.1132 20.1132 20.1834 20.1834 20.3414 20.3414 23.1712 23.1712 23.2667 23.2667 36.6484 36.6484 k = 0.0000 0.0000 0.0517 ( 623 PWs) bands (ev): -39.6691 -39.6691 -14.7215 -14.7215 -12.1367 -12.1367 -12.1197 -12.1197 14.3991 14.3991 20.1256 20.1256 20.1810 20.1810 20.3233 20.3233 23.1950 23.1950 23.2662 23.2662 36.6271 36.6271 k = 0.0000 0.0000 0.0431 ( 627 PWs) bands (ev): -39.6707 -39.6707 -14.7184 -14.7184 -12.1303 -12.1303 -12.1185 -12.1185 14.3747 14.3747 20.1355 20.1355 20.1765 20.1765 20.3109 20.3109 23.2158 23.2158 23.2658 23.2658 36.6087 36.6087 k = 0.0000 0.0000 0.0345 ( 627 PWs) bands (ev): -39.6719 -39.6719 -14.7158 -14.7158 -12.1251 -12.1251 -12.1175 -12.1175 14.3546 14.3546 20.1432 20.1432 20.1708 20.1708 20.3033 20.3033 23.2332 23.2332 23.2655 23.2655 36.5934 36.5934 k = 0.0000 0.0000 0.0259 ( 627 PWs) bands (ev): -39.6728 -39.6728 -14.7138 -14.7138 -12.1209 -12.1209 -12.1167 -12.1167 14.3389 14.3389 20.1488 20.1488 20.1650 20.1650 20.2990 20.2990 23.2470 23.2470 23.2653 23.2653 36.5814 36.5814 k = 0.0000 0.0000 0.0172 ( 627 PWs) bands (ev): -39.6735 -39.6735 -14.7123 -14.7123 -12.1180 -12.1180 -12.1161 -12.1161 14.3277 14.3277 20.1527 20.1527 20.1600 20.1600 20.2969 20.2969 23.2569 23.2569 23.2651 23.2651 36.5727 36.5727 k = 0.0000 0.0000 0.0086 ( 627 PWs) bands (ev): -39.6739 -39.6739 -14.7115 -14.7115 -12.1162 -12.1162 -12.1157 -12.1157 14.3210 14.3210 20.1549 20.1549 20.1568 20.1568 20.2961 20.2961 23.2630 23.2630 23.2650 23.2650 36.5675 36.5678 k = 0.0000 0.0000 0.0000 ( 627 PWs) bands (ev): -39.6740 -39.6740 -14.7112 -14.7112 -12.1156 -12.1156 -12.1156 -12.1156 14.3187 14.3187 20.1556 20.1556 20.1556 20.1556 20.2958 20.2958 23.2650 23.2650 23.2650 23.2650 36.5658 36.5658 k = 0.0000 0.0000 0.0000 ( 627 PWs) bands (ev): -39.6740 -39.6740 -14.7112 -14.7112 -12.1156 -12.1156 -12.1156 -12.1156 14.3187 14.3187 20.1556 20.1556 20.1556 20.1556 20.2958 20.2958 23.2650 23.2650 23.2650 23.2650 36.5658 36.5658 k = 0.0029 0.0041 0.0070 ( 627 PWs) bands (ev): -39.6739 -39.6739 -14.7115 -14.7115 -12.1162 -12.1162 -12.1157 -12.1157 14.3210 14.3210 20.1548 20.1548 20.1569 20.1569 20.2961 20.2961 23.2639 23.2639 23.2641 23.2641 36.5672 36.5673 k = 0.0057 0.0081 0.0141 ( 627 PWs) bands (ev): -39.6735 -39.6735 -14.7123 -14.7123 -12.1181 -12.1181 -12.1160 -12.1160 14.3277 14.3277 20.1522 20.1522 20.1604 20.1604 20.2970 20.2970 23.2607 23.2607 23.2614 23.2614 36.5717 36.5717 k = 0.0086 0.0122 0.0211 ( 627 PWs) bands (ev): -39.6728 -39.6728 -14.7138 -14.7138 -12.1212 -12.1212 -12.1164 -12.1164 14.3389 14.3389 20.1480 20.1480 20.1654 20.1654 20.2994 20.2994 23.2554 23.2554 23.2569 23.2569 36.5790 36.5790 k = 0.0115 0.0163 0.0282 ( 627 PWs) bands (ev): -39.6719 -39.6719 -14.7158 -14.7158 -12.1255 -12.1255 -12.1170 -12.1170 14.3546 14.3546 20.1420 20.1420 20.1706 20.1706 20.3046 20.3046 23.2481 23.2481 23.2507 23.2507 36.5893 36.5893 k = 0.0144 0.0203 0.0352 ( 627 PWs) bands (ev): -39.6707 -39.6707 -14.7184 -14.7184 -12.1310 -12.1310 -12.1178 -12.1178 14.3746 14.3746 20.1342 20.1342 20.1741 20.1741 20.3145 20.3145 23.2389 23.2389 23.2430 23.2430 36.6025 36.6025 k = 0.0172 0.0244 0.0422 ( 624 PWs) bands (ev): -39.6691 -39.6691 -14.7215 -14.7215 -12.1377 -12.1377 -12.1187 -12.1187 14.3990 14.3990 20.1247 20.1247 20.1742 20.1742 20.3307 20.3307 23.2280 23.2280 23.2339 23.2339 36.6187 36.6187 k = 0.0201 0.0284 0.0493 ( 624 PWs) bands (ev): -39.6675 -39.6675 -14.7253 -14.7253 -12.1455 -12.1455 -12.1199 -12.1199 14.4277 14.4277 20.1134 20.1134 20.1699 20.1699 20.3541 20.3541 23.2156 23.2156 23.2235 23.2235 36.6378 36.6378 k = 0.0230 0.0325 0.0563 ( 624 PWs) bands (ev): -39.6655 -39.6655 -14.7296 -14.7296 -12.1545 -12.1545 -12.1212 -12.1212 14.4607 14.4607 20.1002 20.1002 20.1614 20.1614 20.3847 20.3847 23.2018 23.2018 23.2121 23.2121 36.6599 36.6599 k = 0.0259 0.0366 0.0633 ( 618 PWs) bands (ev): -39.6631 -39.6631 -14.7343 -14.7343 -12.1645 -12.1645 -12.1226 -12.1226 14.4977 14.4977 20.0852 20.0852 20.1490 20.1490 20.4221 20.4221 23.1870 23.1870 23.1999 23.1999 36.6851 36.6851 k = 0.0287 0.0406 0.0704 ( 618 PWs) bands (ev): -39.6606 -39.6606 -14.7398 -14.7398 -12.1756 -12.1756 -12.1242 -12.1242 14.5389 14.5389 20.0683 20.0683 20.1332 20.1332 20.4658 20.4658 23.1712 23.1712 23.1870 23.1870 36.7130 36.7130 k = 0.0316 0.0447 0.0774 ( 618 PWs) bands (ev): -39.6580 -39.6580 -14.7458 -14.7458 -12.1878 -12.1878 -12.1261 -12.1261 14.5840 14.5840 20.0495 20.0495 20.1143 20.1143 20.5155 20.5155 23.1549 23.1549 23.1738 23.1738 36.7439 36.7439 k = 0.0345 0.0488 0.0845 ( 618 PWs) bands (ev): -39.6551 -39.6551 -14.7523 -14.7523 -12.2009 -12.2009 -12.1282 -12.1282 14.6331 14.6331 20.0287 20.0287 20.0927 20.0927 20.5707 20.5707 23.1382 23.1382 23.1604 23.1604 36.7777 36.7777 k = 0.0374 0.0528 0.0915 ( 624 PWs) bands (ev): -39.6523 -39.6523 -14.7595 -14.7595 -12.2150 -12.2150 -12.1305 -12.1305 14.6858 14.6858 20.0059 20.0059 20.0686 20.0686 20.6315 20.6315 23.1214 23.1214 23.1472 23.1472 36.8145 36.8145 k = 0.0402 0.0569 0.0985 ( 624 PWs) bands (ev): -39.6490 -39.6490 -14.7672 -14.7672 -12.2299 -12.2299 -12.1329 -12.1329 14.7423 14.7423 19.9812 19.9812 20.0419 20.0419 20.6976 20.6976 23.1047 23.1047 23.1343 23.1343 36.8541 36.8541 k = 0.0431 0.0610 0.1056 ( 624 PWs) bands (ev): -39.6454 -39.6454 -14.7754 -14.7754 -12.2456 -12.2456 -12.1356 -12.1356 14.8022 14.8022 19.9546 19.9546 20.0130 20.0130 20.7691 20.7691 23.0885 23.0885 23.1219 23.1219 36.8968 36.8968 k = 0.0460 0.0650 0.1126 ( 630 PWs) bands (ev): -39.6420 -39.6420 -14.7842 -14.7842 -12.2622 -12.2622 -12.1385 -12.1385 14.8656 14.8656 19.9259 19.9259 19.9817 19.9817 20.8457 20.8457 23.0728 23.0728 23.1103 23.1103 36.9423 36.9423 k = 0.0489 0.0691 0.1197 ( 630 PWs) bands (ev): -39.6380 -39.6380 -14.7934 -14.7934 -12.2793 -12.2793 -12.1415 -12.1415 14.9322 14.9322 19.8954 19.8954 19.9483 19.9483 20.9276 20.9276 23.0581 23.0581 23.0996 23.0996 36.9908 36.9908 k = 0.0517 0.0731 0.1267 ( 630 PWs) bands (ev): -39.6339 -39.6339 -14.8031 -14.8031 -12.2971 -12.2971 -12.1448 -12.1448 15.0020 15.0020 19.8630 19.8630 19.9129 19.9129 21.0147 21.0147 23.0443 23.0443 23.0901 23.0901 37.0422 37.0422 k = 0.0546 0.0772 0.1337 ( 630 PWs) bands (ev): -39.6296 -39.6296 -14.8132 -14.8132 -12.3155 -12.3155 -12.1483 -12.1483 15.0747 15.0747 19.8287 19.8287 19.8755 19.8755 21.1069 21.1069 23.0318 23.0318 23.0819 23.0819 37.0966 37.0966 k = 0.0575 0.0813 0.1408 ( 630 PWs) bands (ev): -39.6251 -39.6251 -14.8239 -14.8239 -12.3344 -12.3344 -12.1520 -12.1520 15.1503 15.1503 19.7927 19.7927 19.8362 19.8362 21.2043 21.2043 23.0207 23.0207 23.0751 23.0751 37.1539 37.1539 k = 0.0603 0.0853 0.1478 ( 630 PWs) bands (ev): -39.6204 -39.6204 -14.8350 -14.8350 -12.3538 -12.3538 -12.1559 -12.1559 15.2286 15.2286 19.7550 19.7550 19.7952 19.7952 21.3067 21.3067 23.0112 23.0112 23.0698 23.0698 37.2142 37.2142 k = 0.0632 0.0894 0.1549 ( 630 PWs) bands (ev): -39.6156 -39.6156 -14.8465 -14.8465 -12.3735 -12.3735 -12.1600 -12.1600 15.3095 15.3095 19.7158 19.7158 19.7526 19.7526 21.4143 21.4143 23.0032 23.0032 23.0661 23.0661 37.2773 37.2773 k = 0.0661 0.0935 0.1619 ( 624 PWs) bands (ev): -39.6103 -39.6103 -14.8583 -14.8583 -12.3935 -12.3935 -12.1643 -12.1643 15.3927 15.3927 19.6752 19.6752 19.7085 19.7085 21.5269 21.5269 22.9970 22.9970 23.0642 23.0642 37.3434 37.3434 k = 0.0690 0.0975 0.1689 ( 624 PWs) bands (ev): -39.6052 -39.6052 -14.8707 -14.8707 -12.4138 -12.4138 -12.1689 -12.1689 15.4783 15.4783 19.6332 19.6332 19.6631 19.6631 21.6444 21.6444 22.9926 22.9926 23.0640 23.0640 37.4125 37.4125 k = 0.0718 0.1016 0.1760 ( 622 PWs) bands (ev): -39.5999 -39.5999 -14.8833 -14.8833 -12.4345 -12.4345 -12.1737 -12.1737 15.5659 15.5659 19.5900 19.5900 19.6166 19.6166 21.7669 21.7669 22.9900 22.9900 23.0657 23.0657 37.4844 37.4844 k = 0.0747 0.1057 0.1830 ( 622 PWs) bands (ev): -39.5946 -39.5946 -14.8964 -14.8964 -12.4553 -12.4553 -12.1787 -12.1787 15.6555 15.6555 19.5459 19.5459 19.5691 19.5691 21.8943 21.8943 22.9893 22.9893 23.0691 23.0691 37.5593 37.5593 k = 0.0776 0.1097 0.1900 ( 622 PWs) bands (ev): -39.5891 -39.5891 -14.9098 -14.9098 -12.4762 -12.4762 -12.1840 -12.1840 15.7470 15.7470 19.5008 19.5008 19.5207 19.5207 22.0265 22.0265 22.9904 22.9904 23.0744 23.0744 37.6371 37.6371 k = 0.0805 0.1138 0.1971 ( 616 PWs) bands (ev): -39.5833 -39.5833 -14.9233 -14.9233 -12.4971 -12.4971 -12.1895 -12.1895 15.8401 15.8401 19.4551 19.4551 19.4718 19.4718 22.1633 22.1633 22.9934 22.9934 23.0817 23.0817 37.7179 37.7179 k = 0.0833 0.1179 0.2041 ( 616 PWs) bands (ev): -39.5776 -39.5776 -14.9372 -14.9372 -12.5181 -12.5181 -12.1953 -12.1953 15.9348 15.9348 19.4088 19.4088 19.4223 19.4223 22.3046 22.3046 22.9983 22.9983 23.0908 23.0908 37.8015 37.8015 k = 0.0862 0.1219 0.2112 ( 616 PWs) bands (ev): -39.5719 -39.5719 -14.9514 -14.9514 -12.5391 -12.5391 -12.2014 -12.2014 16.0309 16.0309 19.3622 19.3622 19.3725 19.3725 22.4502 22.4502 23.0049 23.0049 23.1021 23.1021 37.8881 37.8881 k = 0.0891 0.1260 0.2182 ( 616 PWs) bands (ev): -39.5661 -39.5661 -14.9658 -14.9658 -12.5600 -12.5600 -12.2077 -12.2077 16.1283 16.1283 19.3153 19.3153 19.3227 19.3227 22.5995 22.5995 23.0133 23.0133 23.1158 23.1158 37.9776 38.0861 k = 0.0920 0.1300 0.2252 ( 616 PWs) bands (ev): -39.5603 -39.5603 -14.9803 -14.9803 -12.5808 -12.5808 -12.2143 -12.2143 16.2268 16.2268 19.2684 19.2684 19.2728 19.2728 22.7515 22.7515 23.0233 23.0233 23.1329 23.1329 38.0487 38.0487 k = 0.0948 0.1341 0.2323 ( 622 PWs) bands (ev): -39.5547 -39.5547 -14.9951 -14.9951 -12.6015 -12.6015 -12.2212 -12.2212 16.3263 16.3263 19.2217 19.2217 19.2232 19.2232 22.9030 22.9030 23.0350 23.0350 23.1563 23.1563 38.0017 38.0017 k = 0.0977 0.1382 0.2393 ( 622 PWs) bands (ev): -39.5488 -39.5488 -15.0098 -15.0098 -12.6220 -12.6220 -12.2283 -12.2283 16.4267 16.4267 19.1739 19.1739 19.1752 19.1752 23.0405 23.0405 23.0482 23.0482 23.1994 23.1994 37.9459 37.9459 k = 0.1006 0.1422 0.2464 ( 622 PWs) bands (ev): -39.5429 -39.5429 -15.0246 -15.0246 -12.6422 -12.6422 -12.2357 -12.2357 16.5279 16.5279 19.1252 19.1252 19.1292 19.1292 23.0629 23.0629 23.1244 23.1244 23.3015 23.3015 37.8820 37.8820 k = 0.1034 0.1463 0.2534 ( 622 PWs) bands (ev): -39.5370 -39.5370 -15.0395 -15.0395 -12.6621 -12.6621 -12.2433 -12.2433 16.6297 16.6297 19.0771 19.0771 19.0839 19.0839 23.0789 23.0789 23.1627 23.1627 23.4544 23.4544 37.8110 37.8110 k = 0.1063 0.1504 0.2604 ( 622 PWs) bands (ev): -39.5311 -39.5311 -15.0543 -15.0543 -12.6818 -12.6818 -12.2512 -12.2512 16.7319 16.7319 19.0299 19.0299 19.0392 19.0392 23.0963 23.0963 23.1893 23.1893 23.6240 23.6240 37.7336 37.7336 k = 0.1092 0.1544 0.2675 ( 622 PWs) bands (ev): -39.5251 -39.5251 -15.0690 -15.0690 -12.7011 -12.7011 -12.2594 -12.2594 16.8346 16.8346 18.9836 18.9836 18.9955 18.9955 23.1148 23.1148 23.2133 23.2133 23.8011 23.8011 37.6507 37.6507 k = 0.1121 0.1585 0.2745 ( 622 PWs) bands (ev): -39.5192 -39.5192 -15.0837 -15.0837 -12.7200 -12.7200 -12.2678 -12.2678 16.9375 16.9375 18.9384 18.9384 18.9527 18.9527 23.1345 23.1345 23.2368 23.2368 23.9831 23.9831 37.5629 37.5629 k = 0.1149 0.1626 0.2816 ( 622 PWs) bands (ev): -39.5134 -39.5134 -15.0983 -15.0983 -12.7386 -12.7386 -12.2766 -12.2766 17.0405 17.0405 18.8944 18.8944 18.9112 18.9112 23.1553 23.1553 23.2604 23.2604 24.1692 24.1692 37.4709 37.4709 k = 0.1178 0.1666 0.2886 ( 628 PWs) bands (ev): -39.5078 -39.5078 -15.1128 -15.1128 -12.7569 -12.7569 -12.2855 -12.2855 17.1435 17.1435 18.8517 18.8517 18.8708 18.8708 23.1770 23.1770 23.2844 23.2844 24.3589 24.3589 37.3754 37.3754 k = 0.1207 0.1707 0.2956 ( 628 PWs) bands (ev): -39.5021 -39.5021 -15.1270 -15.1270 -12.7747 -12.7747 -12.2948 -12.2948 17.2464 17.2464 18.8105 18.8105 18.8319 18.8319 23.1995 23.1995 23.3088 23.3088 24.5518 24.5518 37.2770 37.2770 k = 0.1236 0.1747 0.3027 ( 628 PWs) bands (ev): -39.4964 -39.4964 -15.1409 -15.1409 -12.7920 -12.7920 -12.3043 -12.3043 17.3490 17.3490 18.7707 18.7707 18.7944 18.7944 23.2228 23.2228 23.3338 23.3338 24.7476 24.7476 37.1762 37.1762 k = 0.1264 0.1788 0.3097 ( 628 PWs) bands (ev): -39.4907 -39.4907 -15.1546 -15.1546 -12.8088 -12.8088 -12.3141 -12.3141 17.4512 17.4512 18.7326 18.7326 18.7585 18.7585 23.2468 23.2468 23.3591 23.3591 24.9462 24.9462 37.0734 37.0734 k = 0.1293 0.1829 0.3167 ( 628 PWs) bands (ev): -39.4852 -39.4852 -15.1679 -15.1679 -12.8251 -12.8251 -12.3242 -12.3242 17.5529 17.5529 18.6962 18.6962 18.7243 18.7243 23.2714 23.2714 23.3848 23.3848 25.1471 25.1471 36.9691 36.9691 k = 0.1322 0.1869 0.3238 ( 628 PWs) bands (ev): -39.4797 -39.4797 -15.1809 -15.1809 -12.8409 -12.8409 -12.3345 -12.3345 17.6539 17.6539 18.6616 18.6616 18.6918 18.6918 23.2965 23.2965 23.4108 23.4108 25.3502 25.3502 36.8636 36.8636 k = 0.1351 0.1910 0.3308 ( 628 PWs) bands (ev): -39.4743 -39.4743 -15.1936 -15.1936 -12.8562 -12.8562 -12.3450 -12.3450 17.7541 17.7541 18.6288 18.6288 18.6611 18.6611 23.3220 23.3220 23.4370 23.4370 25.5551 25.5551 36.7572 36.7572 k = 0.1379 0.1951 0.3379 ( 622 PWs) bands (ev): -39.4687 -39.4687 -15.2057 -15.2057 -12.8708 -12.8708 -12.3558 -12.3558 17.8532 17.8532 18.5980 18.5980 18.6323 18.6323 23.3479 23.3479 23.4634 23.4634 25.7618 25.7618 36.6501 36.6501 k = 0.1408 0.1991 0.3449 ( 625 PWs) bands (ev): -39.4637 -39.4637 -15.2176 -15.2176 -12.8851 -12.8851 -12.3669 -12.3669 17.9511 17.9511 18.5693 18.5693 18.6054 18.6054 23.3741 23.3741 23.4899 23.4899 25.9698 25.9698 36.5424 36.5424 k = 0.1437 0.2032 0.3519 ( 625 PWs) bands (ev): -39.4587 -39.4587 -15.2289 -15.2289 -12.8987 -12.8987 -12.3783 -12.3783 18.0476 18.0476 18.5426 18.5426 18.5805 18.5805 23.4004 23.4004 23.5164 23.5164 26.1790 26.1790 36.4341 36.4341 k = 0.1466 0.2073 0.3590 ( 625 PWs) bands (ev): -39.4538 -39.4538 -15.2398 -15.2398 -12.9117 -12.9117 -12.3898 -12.3898 18.1424 18.1424 18.5183 18.5183 18.5576 18.5576 23.4269 23.4269 23.5428 23.5428 26.3890 26.3890 36.3252 36.3252 k = 0.1494 0.2113 0.3660 ( 625 PWs) bands (ev): -39.4490 -39.4490 -15.2503 -15.2503 -12.9241 -12.9241 -12.4017 -12.4017 18.2349 18.2349 18.4966 18.4966 18.5368 18.5368 23.4534 23.4534 23.5691 23.5691 26.5996 26.5996 36.2151 36.2151 k = 0.1523 0.2154 0.3731 ( 625 PWs) bands (ev): -39.4444 -39.4444 -15.2602 -15.2602 -12.9359 -12.9359 -12.4137 -12.4137 18.3238 18.3238 18.4789 18.4789 18.5180 18.5180 23.4799 23.4799 23.5953 23.5953 26.8105 26.8105 36.1027 36.1027 k = 0.1552 0.2194 0.3801 ( 625 PWs) bands (ev): -39.4399 -39.4399 -15.2696 -15.2696 -12.9471 -12.9471 -12.4260 -12.4260 18.4004 18.4004 18.4734 18.4734 18.5014 18.5014 23.5063 23.5063 23.6212 23.6212 27.0214 27.0214 35.9858 35.9858 k = 0.1580 0.2235 0.3871 ( 619 PWs) bands (ev): -39.4352 -39.4352 -15.2783 -15.2783 -12.9575 -12.9575 -12.4385 -12.4385 18.4236 18.4236 18.4869 18.4869 18.5213 18.5213 23.5326 23.5326 23.6468 23.6468 27.2322 27.2322 35.8584 35.8585 k = 0.1609 0.2276 0.3942 ( 619 PWs) bands (ev): -39.4311 -39.4311 -15.2866 -15.2866 -12.9673 -12.9673 -12.4512 -12.4512 18.4158 18.4158 18.4746 18.4746 18.5999 18.5999 23.5586 23.5586 23.6720 23.6720 27.4424 27.4424 35.7080 35.7080 k = 0.1638 0.2316 0.4012 ( 619 PWs) bands (ev): -39.4270 -39.4270 -15.2944 -15.2944 -12.9765 -12.9765 -12.4641 -12.4641 18.4056 18.4056 18.4644 18.4644 18.6803 18.6803 23.5844 23.5844 23.6967 23.6967 27.6518 27.6518 35.5187 35.5187 k = 0.1667 0.2357 0.4082 ( 619 PWs) bands (ev): -39.4232 -39.4232 -15.3017 -15.3017 -12.9850 -12.9850 -12.4772 -12.4772 18.3965 18.3965 18.4564 18.4564 18.7588 18.7588 23.6098 23.6098 23.7210 23.7210 27.8601 27.8601 35.2952 35.2952 k = 0.1695 0.2398 0.4153 ( 619 PWs) bands (ev): -39.4195 -39.4195 -15.3084 -15.3084 -12.9928 -12.9928 -12.4905 -12.4905 18.3891 18.3891 18.4505 18.4505 18.8346 18.8346 23.6349 23.6349 23.7447 23.7447 28.0671 28.0671 35.0569 35.0569 k = 0.1724 0.2438 0.4223 ( 619 PWs) bands (ev): -39.4159 -39.4159 -15.3146 -15.3146 -12.9999 -12.9999 -12.5040 -12.5040 18.3837 18.3837 18.4467 18.4467 18.9071 18.9071 23.6596 23.6596 23.7678 23.7678 28.2725 28.2725 34.8162 34.8162 k = 0.1753 0.2479 0.4294 ( 619 PWs) bands (ev): -39.4126 -39.4126 -15.3202 -15.3202 -13.0063 -13.0063 -12.5177 -12.5177 18.3803 18.3803 18.4451 18.4451 18.9760 18.9760 23.6837 23.6837 23.7903 23.7903 28.4759 28.4759 34.5790 34.5790 k = 0.1782 0.2520 0.4364 ( 619 PWs) bands (ev): -39.4094 -39.4094 -15.3253 -15.3253 -13.0119 -13.0119 -12.5315 -12.5315 18.3790 18.3790 18.4456 18.4456 19.0411 19.0411 23.7074 23.7074 23.8121 23.8121 28.6772 28.6772 34.3477 34.3477 k = 0.1810 0.2560 0.4434 ( 625 PWs) bands (ev): -39.4066 -39.4066 -15.3301 -15.3301 -13.0168 -13.0168 -12.5456 -12.5456 18.3797 18.3797 18.4481 18.4481 19.1019 19.1019 23.7305 23.7305 23.8332 23.8332 28.8761 28.8761 34.1240 34.1240 k = 0.1839 0.2601 0.4505 ( 625 PWs) bands (ev): -39.4038 -39.4038 -15.3342 -15.3342 -13.0209 -13.0209 -12.5597 -12.5597 18.3824 18.3824 18.4527 18.4527 19.1584 19.1584 23.7530 23.7530 23.8535 23.8535 29.0724 29.0724 33.9087 33.9087 k = 0.1868 0.2641 0.4575 ( 625 PWs) bands (ev): -39.4011 -39.4011 -15.3379 -15.3379 -13.0242 -13.0242 -12.5739 -12.5739 18.3871 18.3871 18.4593 18.4593 19.2100 19.2100 23.7749 23.7749 23.8729 23.8729 29.2657 29.2657 33.7025 33.7025 k = 0.1897 0.2682 0.4646 ( 625 PWs) bands (ev): -39.3986 -39.3986 -15.3411 -15.3411 -13.0267 -13.0267 -12.5882 -12.5882 18.3939 18.3939 18.4679 18.4679 19.2568 19.2568 23.7961 23.7961 23.8916 23.8916 29.4558 29.4558 33.5061 33.5061 k = 0.1925 0.2723 0.4716 ( 625 PWs) bands (ev): -39.3962 -39.3962 -15.3439 -15.3439 -13.0284 -13.0284 -12.6027 -12.6027 18.4025 18.4025 18.4783 18.4783 19.2983 19.2983 23.8166 23.8166 23.9094 23.9094 29.6424 29.6424 33.3200 33.3200 k = 0.1954 0.2763 0.4786 ( 622 PWs) bands (ev): -39.3939 -39.3939 -15.3462 -15.3462 -13.0292 -13.0292 -12.6172 -12.6172 18.4130 18.4130 18.4907 18.4907 19.3344 19.3344 23.8365 23.8365 23.9263 23.9263 29.8252 29.8252 33.1446 33.1446 k = 0.1983 0.2804 0.4857 ( 628 PWs) bands (ev): -39.3921 -39.3921 -15.3484 -15.3484 -13.0293 -13.0293 -12.6319 -12.6319 18.4254 18.4254 18.5049 18.5049 19.3648 19.3648 23.8555 23.8555 23.9423 23.9423 30.0039 30.0039 32.9805 32.9805 k = 0.2011 0.2845 0.4927 ( 628 PWs) bands (ev): -39.3903 -39.3903 -15.3500 -15.3500 -13.0286 -13.0286 -12.6465 -12.6465 18.4395 18.4395 18.5208 18.5208 19.3895 19.3895 23.8739 23.8739 23.9573 23.9573 30.1780 30.1780 32.8283 32.8283 k = 0.2040 0.2885 0.4998 ( 625 PWs) bands (ev): -39.3884 -39.3884 -15.3513 -15.3513 -13.0269 -13.0269 -12.6613 -12.6613 18.4554 18.4554 18.5384 18.5384 19.4082 19.4082 23.8914 23.8914 23.9714 23.9714 30.3469 30.3469 32.6888 32.6888 k = 0.2069 0.2926 0.5068 ( 631 PWs) bands (ev): -39.3871 -39.3871 -15.3525 -15.3525 -13.0246 -13.0246 -12.6761 -12.6761 18.4729 18.4729 18.5576 18.5576 19.4208 19.4208 23.9082 23.9082 23.9845 23.9845 30.5100 30.5100 32.5626 32.5626 k = 0.2098 0.2967 0.5138 ( 631 PWs) bands (ev): -39.3857 -39.3857 -15.3532 -15.3532 -13.0213 -13.0213 -12.6909 -12.6909 18.4920 18.4920 18.5783 18.5783 19.4273 19.4273 23.9242 23.9242 23.9966 23.9966 30.6660 30.6660 32.4513 32.4513 k = 0.2126 0.3007 0.5209 ( 631 PWs) bands (ev): -39.3844 -39.3844 -15.3538 -15.3538 -13.0171 -13.0171 -12.7057 -12.7057 18.5126 18.5126 18.6005 18.6005 19.4277 19.4277 23.9394 23.9394 24.0078 24.0078 30.8133 30.8133 32.3563 32.3563 k = 0.2155 0.3048 0.5279 ( 631 PWs) bands (ev): -39.3833 -39.3833 -15.3541 -15.3541 -13.0122 -13.0122 -12.7205 -12.7205 18.5345 18.5345 18.6241 18.6241 19.4220 19.4220 23.9537 23.9537 24.0179 24.0179 30.9494 30.9494 32.2804 32.2804 k = 0.2184 0.3089 0.5349 ( 631 PWs) bands (ev): -39.3823 -39.3823 -15.3542 -15.3542 -13.0064 -13.0064 -12.7353 -12.7353 18.5578 18.5578 18.6490 18.6490 19.4101 19.4101 23.9672 23.9672 24.0270 24.0270 31.0708 31.0708 32.2271 32.2271 k = 0.2213 0.3129 0.5420 ( 631 PWs) bands (ev): -39.3814 -39.3814 -15.3542 -15.3542 -12.9998 -12.9998 -12.7501 -12.7501 18.5824 18.5824 18.6751 18.6751 19.3924 19.3924 23.9799 23.9799 24.0350 24.0350 31.1727 31.1727 32.2009 32.2009 k = 0.2241 0.3170 0.5490 ( 631 PWs) bands (ev): -39.3807 -39.3807 -15.3541 -15.3541 -12.9924 -12.9924 -12.7648 -12.7648 18.6080 18.6080 18.7022 18.7022 19.3689 19.3689 23.9917 23.9917 24.0421 24.0421 31.2507 31.2507 32.2064 32.2064 k = 0.2270 0.3210 0.5561 ( 631 PWs) bands (ev): -39.3800 -39.3800 -15.3539 -15.3539 -12.9842 -12.9842 -12.7795 -12.7795 18.6346 18.6346 18.7304 18.7304 19.3398 19.3398 24.0026 24.0026 24.0481 24.0481 31.3028 31.3028 32.2456 32.2456 k = 0.2299 0.3251 0.5631 ( 631 PWs) bands (ev): -39.3795 -39.3795 -15.3537 -15.3537 -12.9752 -12.9752 -12.7941 -12.7941 18.6620 18.6620 18.7595 18.7595 19.3055 19.3055 24.0127 24.0127 24.0530 24.0530 31.3316 31.3316 32.3156 32.3156 k = 0.2328 0.3292 0.5701 ( 631 PWs) bands (ev): -39.3790 -39.3790 -15.3534 -15.3534 -12.9655 -12.9655 -12.8087 -12.8087 18.6902 18.6902 18.7894 18.7894 19.2663 19.2663 24.0218 24.0218 24.0569 24.0569 31.3431 31.3431 32.4103 32.4103 k = 0.2356 0.3332 0.5772 ( 631 PWs) bands (ev): -39.3787 -39.3787 -15.3531 -15.3531 -12.9551 -12.9551 -12.8231 -12.8231 18.7188 18.7188 18.8199 18.8199 19.2227 19.2227 24.0301 24.0301 24.0597 24.0597 31.3440 31.3440 32.5226 32.5226 k = 0.2385 0.3373 0.5842 ( 631 PWs) bands (ev): -39.3784 -39.3784 -15.3528 -15.3528 -12.9440 -12.9440 -12.8375 -12.8375 18.7475 18.7475 18.8510 18.8510 19.1751 19.1751 24.0375 24.0375 24.0614 24.0614 31.3397 31.3397 32.6468 32.6468 k = 0.2414 0.3414 0.5913 ( 625 PWs) bands (ev): -39.3779 -39.3779 -15.3524 -15.3524 -12.9321 -12.9321 -12.8515 -12.8515 18.7759 18.7759 18.8826 18.8826 19.1245 19.1245 24.0439 24.0439 24.0621 24.0621 31.3338 31.3338 32.7782 32.7782 k = 0.2443 0.3454 0.5983 ( 619 PWs) bands (ev): -39.3774 -39.3774 -15.3521 -15.3521 -12.9197 -12.9197 -12.8655 -12.8655 18.8029 18.8029 18.9144 18.9144 19.0720 19.0720 24.0495 24.0495 24.0617 24.0617 31.3284 31.3284 32.9120 32.9120 k = 0.2471 0.3495 0.6053 ( 607 PWs) bands (ev): -39.3767 -39.3767 -15.3517 -15.3517 -12.9065 -12.9065 -12.8792 -12.8792 18.8259 18.8259 18.9464 18.9464 19.0206 19.0206 24.0540 24.0540 24.0602 24.0602 31.3247 31.3247 33.0359 33.0360 k = 0.2500 0.3536 0.6124 ( 604 PWs) bands (ev): -39.3765 -39.3765 -15.3516 -15.3516 -12.8930 -12.8930 -12.8930 -12.8930 18.8371 18.8371 18.9785 18.9785 18.9785 18.9785 24.0576 24.0576 24.0576 24.0576 31.3235 31.3235 33.0949 33.0949 k = 0.2500 0.3536 0.6124 ( 604 PWs) bands (ev): -39.3765 -39.3765 -15.3516 -15.3516 -12.8930 -12.8930 -12.8930 -12.8930 18.8371 18.8371 18.9785 18.9785 18.9785 18.9785 24.0576 24.0576 24.0576 24.0576 31.3235 31.3235 33.0949 33.0949 k = 0.2529 0.3454 0.6124 ( 604 PWs) bands (ev): -39.3766 -39.3766 -15.3517 -15.3517 -12.9066 -12.9066 -12.8791 -12.8791 18.8201 18.8201 18.9624 18.9624 19.0106 19.0106 24.0540 24.0540 24.0603 24.0603 31.3248 31.3248 33.0600 33.0600 k = 0.2557 0.3373 0.6124 ( 616 PWs) bands (ev): -39.3772 -39.3772 -15.3521 -15.3521 -12.9201 -12.9201 -12.8651 -12.8651 18.7740 18.7740 18.9735 18.9735 19.0423 19.0423 24.0492 24.0492 24.0619 24.0619 31.3288 31.3288 32.9988 32.9988 k = 0.2586 0.3292 0.6124 ( 628 PWs) bands (ev): -39.3779 -39.3779 -15.3526 -15.3526 -12.9336 -12.9336 -12.8505 -12.8505 18.7145 18.7145 18.9963 18.9963 19.0738 19.0738 24.0434 24.0434 24.0625 24.0625 31.3353 31.3353 32.9326 32.9326 k = 0.2615 0.3210 0.6124 ( 628 PWs) bands (ev): -39.3780 -39.3780 -15.3530 -15.3530 -12.9466 -12.9466 -12.8356 -12.8356 18.6498 18.6498 19.0231 19.0231 19.1047 19.1047 24.0365 24.0365 24.0621 24.0621 31.3443 31.3443 32.8660 32.8660 k = 0.2644 0.3129 0.6124 ( 631 PWs) bands (ev): -39.3783 -39.3783 -15.3536 -15.3536 -12.9594 -12.9594 -12.8204 -12.8204 18.5829 18.5829 19.0512 19.0512 19.1350 19.1350 24.0284 24.0284 24.0606 24.0606 31.3553 31.3553 32.8001 32.8001 k = 0.2672 0.3048 0.6124 ( 631 PWs) bands (ev): -39.3784 -39.3784 -15.3543 -15.3543 -12.9720 -12.9720 -12.8050 -12.8050 18.5150 18.5150 19.0795 19.0795 19.1644 19.1644 24.0194 24.0194 24.0581 24.0581 31.3683 31.3683 32.7357 32.7357 k = 0.2701 0.2967 0.6124 ( 631 PWs) bands (ev): -39.3785 -39.3785 -15.3551 -15.3551 -12.9843 -12.9843 -12.7894 -12.7894 18.4471 18.4471 19.1076 19.1076 19.1929 19.1929 24.0093 24.0093 24.0546 24.0546 31.3828 31.3828 32.6732 32.6732 k = 0.2730 0.2885 0.6124 ( 631 PWs) bands (ev): -39.3786 -39.3786 -15.3560 -15.3560 -12.9964 -12.9964 -12.7739 -12.7739 18.3797 18.3797 19.1349 19.1349 19.2203 19.2203 23.9981 23.9981 24.0500 24.0500 31.3987 31.3987 32.6129 32.6129 k = 0.2759 0.2804 0.6124 ( 631 PWs) bands (ev): -39.3786 -39.3786 -15.3571 -15.3571 -13.0082 -13.0082 -12.7584 -12.7584 18.3134 18.3134 19.1613 19.1613 19.2465 19.2465 23.9860 23.9860 24.0443 24.0443 31.4158 31.4158 32.5550 32.5550 k = 0.2787 0.2723 0.6124 ( 631 PWs) bands (ev): -39.3787 -39.3787 -15.3584 -15.3584 -13.0197 -13.0197 -12.7429 -12.7429 18.2486 18.2486 19.1865 19.1865 19.2711 19.2711 23.9729 23.9729 24.0376 24.0376 31.4337 31.4337 32.4997 32.4997 k = 0.2816 0.2641 0.6124 ( 631 PWs) bands (ev): -39.3786 -39.3786 -15.3597 -15.3597 -13.0310 -13.0310 -12.7276 -12.7276 18.1857 18.1857 19.2104 19.2104 19.2942 19.2942 23.9589 23.9589 24.0299 24.0299 31.4524 31.4524 32.4473 32.4473 k = 0.2845 0.2560 0.6124 ( 631 PWs) bands (ev): -39.3786 -39.3786 -15.3613 -15.3613 -13.0419 -13.0419 -12.7126 -12.7126 18.1252 18.1252 19.2326 19.2326 19.3155 19.3155 23.9441 23.9441 24.0212 24.0212 31.4716 31.4716 32.3978 32.3978 k = 0.2874 0.2479 0.6124 ( 631 PWs) bands (ev): -39.3785 -39.3785 -15.3629 -15.3629 -13.0526 -13.0526 -12.6978 -12.6978 18.0673 18.0673 19.2531 19.2531 19.3349 19.3349 23.9285 23.9285 24.0116 24.0116 31.4912 31.4912 32.3516 32.3516 k = 0.2902 0.2398 0.6124 ( 631 PWs) bands (ev): -39.3783 -39.3783 -15.3646 -15.3646 -13.0630 -13.0630 -12.6835 -12.6835 18.0124 18.0124 19.2717 19.2717 19.3522 19.3522 23.9123 23.9123 24.0011 24.0011 31.5111 31.5111 32.3087 32.3087 k = 0.2931 0.2316 0.6124 ( 631 PWs) bands (ev): -39.3781 -39.3781 -15.3665 -15.3665 -13.0730 -13.0730 -12.6695 -12.6695 17.9609 17.9609 19.2880 19.2880 19.3673 19.3673 23.8955 23.8955 23.9898 23.9898 31.5312 31.5312 32.2692 32.2692 k = 0.2960 0.2235 0.6124 ( 631 PWs) bands (ev): -39.3777 -39.3777 -15.3685 -15.3685 -13.0828 -13.0828 -12.6561 -12.6561 17.9130 17.9130 19.3021 19.3021 19.3799 19.3799 23.8782 23.8782 23.9779 23.9779 31.5513 31.5513 32.2333 32.2333 k = 0.2989 0.2154 0.6124 ( 625 PWs) bands (ev): -39.3770 -39.3770 -15.3705 -15.3705 -13.0921 -13.0921 -12.6430 -12.6430 17.8690 17.8690 19.3136 19.3136 19.3899 19.3899 23.8607 23.8607 23.9653 23.9653 31.5715 31.5715 32.2010 32.2010 k = 0.3017 0.2073 0.6124 ( 625 PWs) bands (ev): -39.3766 -39.3766 -15.3727 -15.3727 -13.1012 -13.1012 -12.6307 -12.6307 17.8291 17.8291 19.3225 19.3225 19.3972 19.3972 23.8430 23.8430 23.9522 23.9522 31.5917 31.5917 32.1724 32.1724 k = 0.3046 0.1991 0.6124 ( 625 PWs) bands (ev): -39.3760 -39.3760 -15.3750 -15.3750 -13.1100 -13.1100 -12.6192 -12.6192 17.7937 17.7937 19.3285 19.3285 19.4016 19.4016 23.8252 23.8252 23.9387 23.9387 31.6117 31.6117 32.1476 32.1476 k = 0.3075 0.1910 0.6124 ( 625 PWs) bands (ev): -39.3753 -39.3753 -15.3774 -15.3774 -13.1184 -13.1184 -12.6083 -12.6083 17.7629 17.7629 19.3315 19.3315 19.4029 19.4029 23.8077 23.8077 23.9251 23.9251 31.6317 31.6317 32.1265 32.1265 k = 0.3103 0.1829 0.6124 ( 625 PWs) bands (ev): -39.3746 -39.3746 -15.3798 -15.3798 -13.1265 -13.1265 -12.5983 -12.5983 17.7369 17.7369 19.3313 19.3313 19.4011 19.4011 23.7905 23.7905 23.9114 23.9114 31.6515 31.6515 32.1092 32.1092 k = 0.3132 0.1747 0.6124 ( 619 PWs) bands (ev): -39.3734 -39.3734 -15.3823 -15.3823 -13.1341 -13.1341 -12.5889 -12.5889 17.7160 17.7160 19.3277 19.3277 19.3959 19.3959 23.7738 23.7738 23.8978 23.8978 31.6712 31.6712 32.0955 32.0955 k = 0.3161 0.1666 0.6124 ( 619 PWs) bands (ev): -39.3724 -39.3724 -15.3849 -15.3849 -13.1415 -13.1415 -12.5806 -12.5806 17.7002 17.7002 19.3208 19.3208 19.3872 19.3872 23.7579 23.7579 23.8846 23.8846 31.6908 31.6908 32.0854 32.0854 k = 0.3190 0.1585 0.6124 ( 619 PWs) bands (ev): -39.3714 -39.3714 -15.3876 -15.3876 -13.1486 -13.1486 -12.5732 -12.5732 17.6899 17.6899 19.3102 19.3102 19.3750 19.3750 23.7430 23.7430 23.8719 23.8719 31.7102 31.7102 32.0788 32.0788 k = 0.3218 0.1504 0.6124 ( 619 PWs) bands (ev): -39.3702 -39.3702 -15.3903 -15.3903 -13.1553 -13.1553 -12.5668 -12.5668 17.6850 17.6850 19.2960 19.2960 19.3592 19.3592 23.7292 23.7292 23.8598 23.8598 31.7294 31.7294 32.0755 32.0755 k = 0.3247 0.1422 0.6124 ( 619 PWs) bands (ev): -39.3689 -39.3689 -15.3931 -15.3931 -13.1617 -13.1617 -12.5613 -12.5613 17.6858 17.6858 19.2780 19.2780 19.3396 19.3396 23.7167 23.7167 23.8487 23.8487 31.7485 31.7485 32.0755 32.0755 k = 0.3276 0.1341 0.6124 ( 619 PWs) bands (ev): -39.3674 -39.3674 -15.3960 -15.3960 -13.1677 -13.1677 -12.5569 -12.5569 17.6924 17.6924 19.2562 19.2562 19.3163 19.3163 23.7058 23.7058 23.8386 23.8386 31.7674 31.7674 32.0784 32.0784 k = 0.3305 0.1260 0.6124 ( 619 PWs) bands (ev): -39.3659 -39.3659 -15.3989 -15.3989 -13.1733 -13.1733 -12.5535 -12.5535 17.7049 17.7049 19.2305 19.2305 19.2892 19.2892 23.6966 23.6966 23.8298 23.8298 31.7862 31.7862 32.0841 32.0841 k = 0.3333 0.1179 0.6124 ( 610 PWs) bands (ev): -39.3638 -39.3638 -15.4016 -15.4016 -13.1785 -13.1785 -12.5511 -12.5511 17.7233 17.7233 19.2010 19.2010 19.2582 19.2582 23.6892 23.6892 23.8225 23.8225 31.8049 31.8049 32.0922 32.0923 k = 0.3362 0.1097 0.6124 ( 619 PWs) bands (ev): -39.3624 -39.3624 -15.4048 -15.4048 -13.1836 -13.1836 -12.5500 -12.5500 17.7478 17.7478 19.1675 19.1675 19.2234 19.2234 23.6839 23.6839 23.8167 23.8167 31.8233 31.8233 32.1027 32.1027 k = 0.3391 0.1016 0.6124 ( 619 PWs) bands (ev): -39.3605 -39.3605 -15.4078 -15.4078 -13.1882 -13.1882 -12.5498 -12.5498 17.7784 17.7784 19.1303 19.1303 19.1848 19.1848 23.6808 23.6808 23.8127 23.8127 31.8417 31.8417 32.1150 32.1150 k = 0.3420 0.0935 0.6124 ( 619 PWs) bands (ev): -39.3585 -39.3585 -15.4109 -15.4109 -13.1925 -13.1925 -12.5507 -12.5507 17.8152 17.8152 19.0892 19.0892 19.1425 19.1425 23.6799 23.6799 23.8106 23.8106 31.8598 31.8598 32.1290 32.1290 k = 0.3448 0.0853 0.6124 ( 619 PWs) bands (ev): -39.3563 -39.3563 -15.4140 -15.4140 -13.1965 -13.1965 -12.5527 -12.5527 17.8582 17.8582 19.0445 19.0445 19.0966 19.0966 23.6815 23.6815 23.8105 23.8105 31.8778 31.8778 32.1443 32.1443 k = 0.3477 0.0772 0.6124 ( 619 PWs) bands (ev): -39.3540 -39.3540 -15.4171 -15.4171 -13.2001 -13.2001 -12.5558 -12.5558 17.9074 17.9074 18.9962 18.9962 19.0471 19.0471 23.6855 23.6855 23.8125 23.8125 31.8956 31.8956 32.1605 32.1605 k = 0.3506 0.0691 0.6124 ( 616 PWs) bands (ev): -39.3515 -39.3515 -15.4203 -15.4203 -13.2034 -13.2034 -12.5599 -12.5599 17.9629 17.9629 18.9445 18.9445 18.9942 18.9942 23.6920 23.6920 23.8167 23.8167 31.9132 31.9132 32.1774 32.1774 k = 0.3534 0.0610 0.6124 ( 616 PWs) bands (ev): -39.3490 -39.3490 -15.4235 -15.4235 -13.2064 -13.2064 -12.5650 -12.5650 18.0247 18.0247 18.8895 18.8895 18.9380 18.9380 23.7011 23.7011 23.8231 23.8231 31.9304 31.9304 32.1945 32.1945 k = 0.3563 0.0528 0.6124 ( 616 PWs) bands (ev): -39.3464 -39.3464 -15.4267 -15.4267 -13.2090 -13.2090 -12.5713 -12.5713 18.0927 18.0927 18.8315 18.8315 18.8788 18.8788 23.7128 23.7128 23.8319 23.8319 31.9473 31.9473 32.2115 32.2115 k = 0.3592 0.0447 0.6124 ( 616 PWs) bands (ev): -39.3436 -39.3436 -15.4300 -15.4300 -13.2114 -13.2114 -12.5785 -12.5785 18.1669 18.1669 18.7705 18.7705 18.8166 18.8166 23.7271 23.7271 23.8429 23.8429 31.9638 31.9638 32.2281 32.2281 k = 0.3621 0.0366 0.6124 ( 616 PWs) bands (ev): -39.3408 -39.3408 -15.4333 -15.4333 -13.2134 -13.2134 -12.5867 -12.5867 18.2472 18.2472 18.7069 18.7069 18.7517 18.7517 23.7439 23.7439 23.8563 23.8563 31.9797 31.9797 32.2439 32.2439 k = 0.3649 0.0284 0.6124 ( 616 PWs) bands (ev): -39.3378 -39.3378 -15.4367 -15.4367 -13.2152 -13.2152 -12.5958 -12.5958 18.3335 18.3335 18.6412 18.6412 18.6843 18.6843 23.7633 23.7633 23.8720 23.8720 31.9950 31.9950 32.2586 32.2586 k = 0.3678 0.0203 0.6124 ( 616 PWs) bands (ev): -39.3348 -39.3348 -15.4401 -15.4401 -13.2166 -13.2166 -12.6058 -12.6058 18.4244 18.4244 18.5746 18.5746 18.6146 18.6146 23.7852 23.7852 23.8900 23.8900 32.0096 32.0096 32.2720 32.2720 k = 0.3707 0.0122 0.6124 ( 616 PWs) bands (ev): -39.3316 -39.3316 -15.4436 -15.4436 -13.2178 -13.2178 -12.6167 -12.6167 18.4857 18.4857 18.5418 18.5418 18.5428 18.5428 23.8096 23.8096 23.9103 23.9103 32.0232 32.0232 32.2836 32.2836 k = 0.3736 0.0041 0.6124 ( 616 PWs) bands (ev): -39.3284 -39.3284 -15.4471 -15.4471 -13.2187 -13.2187 -12.6284 -12.6284 18.4244 18.4244 18.4691 18.4691 18.6357 18.6357 23.8363 23.8363 23.9329 23.9329 32.0358 32.0358 32.2934 32.2934 k = 0.3764-0.0041 0.6124 ( 616 PWs) bands (ev): -39.3251 -39.3251 -15.4506 -15.4506 -13.2194 -13.2194 -12.6409 -12.6409 18.3515 18.3515 18.3938 18.3938 18.7456 18.7456 23.8654 23.8654 23.9576 23.9576 32.0470 32.0470 32.3012 32.3012 k = 0.3793-0.0122 0.6124 ( 622 PWs) bands (ev): -39.3220 -39.3220 -15.4543 -15.4543 -13.2199 -13.2199 -12.6542 -12.6542 18.2764 18.2764 18.3172 18.3172 18.8623 18.8623 23.8968 23.8968 23.9844 23.9844 32.0565 32.0565 32.3067 32.3067 k = 0.3822-0.0203 0.6124 ( 622 PWs) bands (ev): -39.3185 -39.3185 -15.4579 -15.4579 -13.2200 -13.2200 -12.6680 -12.6680 18.2000 18.2000 18.2393 18.2393 18.9850 18.9850 23.9304 23.9304 24.0133 24.0133 32.0641 32.0641 32.3102 32.3102 k = 0.3851-0.0284 0.6124 ( 622 PWs) bands (ev): -39.3150 -39.3150 -15.4616 -15.4616 -13.2200 -13.2200 -12.6824 -12.6824 18.1225 18.1225 18.1605 18.1605 19.1136 19.1136 23.9661 23.9661 24.0441 24.0441 32.0693 32.0693 32.3115 32.3115 k = 0.3879-0.0366 0.6124 ( 622 PWs) bands (ev): -39.3114 -39.3114 -15.4654 -15.4654 -13.2197 -13.2197 -12.6974 -12.6974 18.0442 18.0442 18.0810 18.0810 19.2478 19.2478 24.0038 24.0038 24.0769 24.0769 32.0715 32.0715 32.3110 32.3110 k = 0.3908-0.0447 0.6124 ( 622 PWs) bands (ev): -39.3077 -39.3077 -15.4691 -15.4691 -13.2192 -13.2192 -12.7129 -12.7129 17.9655 17.9655 18.0010 18.0010 19.3875 19.3875 24.0434 24.0434 24.1115 24.1115 32.0704 32.0704 32.3088 32.3088 k = 0.3937-0.0528 0.6124 ( 622 PWs) bands (ev): -39.3040 -39.3040 -15.4730 -15.4730 -13.2185 -13.2185 -12.7289 -12.7289 17.8864 17.8864 17.9206 17.9206 19.5326 19.5326 24.0850 24.0850 24.1479 24.1479 32.0652 32.0652 32.3053 32.3054 k = 0.3966-0.0610 0.6124 ( 622 PWs) bands (ev): -39.3003 -39.3003 -15.4769 -15.4769 -13.2176 -13.2176 -12.7452 -12.7452 17.8073 17.8073 17.8402 17.8402 19.6830 19.6830 24.1282 24.1282 24.1859 24.1859 32.0554 32.0554 32.3010 32.3010 k = 0.3994-0.0691 0.6124 ( 616 PWs) bands (ev): -39.2962 -39.2962 -15.4807 -15.4807 -13.2165 -13.2165 -12.7616 -12.7616 17.7283 17.7283 17.7599 17.7599 19.8384 19.8384 24.1732 24.1732 24.2255 24.2255 32.0405 32.0405 32.2959 32.2959 k = 0.4023-0.0772 0.6124 ( 616 PWs) bands (ev): -39.2924 -39.2924 -15.4847 -15.4847 -13.2153 -13.2153 -12.7784 -12.7784 17.6496 17.6496 17.6799 17.6799 19.9988 19.9988 24.2197 24.2197 24.2665 24.2665 32.0202 32.0202 32.2903 32.2903 k = 0.4052-0.0853 0.6124 ( 628 PWs) bands (ev): -39.2892 -39.2892 -15.4890 -15.4890 -13.2141 -13.2141 -12.7958 -12.7958 17.5714 17.5714 17.6004 17.6004 20.1640 20.1640 24.2677 24.2677 24.3090 24.3090 31.9946 31.9946 32.2842 32.2842 k = 0.4080-0.0935 0.6124 ( 628 PWs) bands (ev): -39.2854 -39.2854 -15.4931 -15.4931 -13.2126 -13.2126 -12.8130 -12.8130 17.4939 17.4939 17.5216 17.5216 20.3337 20.3337 24.3171 24.3171 24.3527 24.3527 31.9635 31.9635 32.2773 32.2773 k = 0.4109-0.1016 0.6124 ( 628 PWs) bands (ev): -39.2816 -39.2816 -15.4972 -15.4972 -13.2109 -13.2109 -12.8303 -12.8303 17.4173 17.4173 17.4436 17.4436 20.5078 20.5078 24.3677 24.3677 24.3975 24.3975 31.9273 31.9273 32.2693 32.2693 k = 0.4138-0.1097 0.6124 ( 628 PWs) bands (ev): -39.2777 -39.2777 -15.5014 -15.5014 -13.2092 -13.2092 -12.8476 -12.8476 17.3416 17.3416 17.3666 17.3666 20.6861 20.6861 24.4195 24.4195 24.4435 24.4435 31.8864 31.8864 32.2600 32.2600 k = 0.4167-0.1179 0.6124 ( 628 PWs) bands (ev): -39.2739 -39.2739 -15.5056 -15.5056 -13.2074 -13.2074 -12.8648 -12.8648 17.2671 17.2671 17.2908 17.2908 20.8683 20.8683 24.4724 24.4724 24.4903 24.4903 31.8409 31.8409 32.2274 32.2274 k = 0.4195-0.1260 0.6124 ( 631 PWs) bands (ev): -39.2703 -39.2703 -15.5099 -15.5099 -13.2054 -13.2054 -12.8821 -12.8821 17.1939 17.1939 17.2163 17.2163 21.0542 21.0542 24.5262 24.5262 24.5380 24.5380 31.7914 31.7914 32.1837 32.1838 k = 0.4224-0.1341 0.6124 ( 631 PWs) bands (ev): -39.2666 -39.2666 -15.5142 -15.5142 -13.2034 -13.2034 -12.8991 -12.8991 17.1221 17.1221 17.1432 17.1432 21.2436 21.2436 24.5808 24.5808 24.5864 24.5864 31.7382 31.7382 32.1371 32.1371 k = 0.4253-0.1422 0.6124 ( 637 PWs) bands (ev): -39.2632 -39.2632 -15.5185 -15.5185 -13.2015 -13.2015 -12.9160 -12.9160 17.0519 17.0519 17.0717 17.0717 21.4361 21.4361 24.6354 24.6354 24.6361 24.6361 31.6816 31.6816 32.0878 32.0878 k = 0.4282-0.1504 0.6124 ( 637 PWs) bands (ev): -39.2596 -39.2596 -15.5228 -15.5228 -13.1994 -13.1994 -12.9325 -12.9325 16.9834 16.9834 17.0019 17.0019 21.6316 21.6316 24.6848 24.6848 24.6920 24.6920 31.6221 31.6221 32.0361 32.0361 k = 0.4310-0.1585 0.6124 ( 637 PWs) bands (ev): -39.2560 -39.2560 -15.5271 -15.5271 -13.1973 -13.1973 -12.9487 -12.9487 16.9168 16.9168 16.9340 16.9340 21.8296 21.8296 24.7346 24.7346 24.7483 24.7483 31.5600 31.5600 31.9823 31.9823 k = 0.4339-0.1666 0.6124 ( 637 PWs) bands (ev): -39.2525 -39.2525 -15.5313 -15.5313 -13.1951 -13.1951 -12.9646 -12.9646 16.8520 16.8520 16.8680 16.8680 22.0299 22.0299 24.7845 24.7845 24.8049 24.8049 31.4957 31.4957 31.9268 31.9268 k = 0.4368-0.1747 0.6124 ( 637 PWs) bands (ev): -39.2490 -39.2490 -15.5355 -15.5355 -13.1929 -13.1929 -12.9801 -12.9801 16.7893 16.7893 16.8041 16.8041 22.2320 22.2320 24.8344 24.8344 24.8616 24.8616 31.4295 31.4295 31.8699 31.8699 k = 0.4397-0.1829 0.6124 ( 637 PWs) bands (ev): -39.2457 -39.2457 -15.5397 -15.5397 -13.1908 -13.1908 -12.9952 -12.9952 16.7287 16.7287 16.7423 16.7423 22.4355 22.4355 24.8842 24.8842 24.9183 24.9183 31.3618 31.3618 31.8120 31.8120 k = 0.4425-0.1910 0.6124 ( 637 PWs) bands (ev): -39.2425 -39.2425 -15.5438 -15.5438 -13.1886 -13.1886 -13.0098 -13.0098 16.6704 16.6704 16.6828 16.6828 22.6401 22.6401 24.9336 24.9336 24.9747 24.9747 31.2930 31.2930 31.7533 31.7533 k = 0.4454-0.1991 0.6124 ( 637 PWs) bands (ev): -39.2393 -39.2393 -15.5479 -15.5479 -13.1865 -13.1865 -13.0239 -13.0239 16.6144 16.6144 16.6257 16.6257 22.8451 22.8451 24.9826 24.9826 25.0308 25.0308 31.2234 31.2234 31.6943 31.6943 k = 0.4483-0.2073 0.6124 ( 637 PWs) bands (ev): -39.2363 -39.2363 -15.5518 -15.5518 -13.1844 -13.1844 -13.0374 -13.0374 16.5607 16.5607 16.5710 16.5710 23.0501 23.0501 25.0309 25.0309 25.0863 25.0863 31.1533 31.1533 31.6354 31.6354 k = 0.4511-0.2154 0.6124 ( 637 PWs) bands (ev): -39.2333 -39.2333 -15.5557 -15.5557 -13.1823 -13.1823 -13.0504 -13.0504 16.5096 16.5096 16.5188 16.5188 23.2545 23.2545 25.0784 25.0784 25.1410 25.1410 31.0831 31.0831 31.5769 31.5769 k = 0.4540-0.2235 0.6124 ( 637 PWs) bands (ev): -39.2305 -39.2305 -15.5594 -15.5594 -13.1803 -13.1803 -13.0627 -13.0627 16.4610 16.4610 16.4692 16.4692 23.4575 23.4575 25.1248 25.1248 25.1948 25.1948 31.0131 31.0131 31.5191 31.5191 k = 0.4569-0.2316 0.6124 ( 637 PWs) bands (ev): -39.2279 -39.2279 -15.5630 -15.5630 -13.1784 -13.1784 -13.0745 -13.0745 16.4150 16.4150 16.4222 16.4222 23.6585 23.6585 25.1699 25.1699 25.2473 25.2473 30.9436 30.9436 31.4625 31.4625 k = 0.4598-0.2398 0.6124 ( 637 PWs) bands (ev): -39.2254 -39.2254 -15.5665 -15.5665 -13.1765 -13.1765 -13.0855 -13.0855 16.3717 16.3717 16.3780 16.3780 23.8566 23.8566 25.2136 25.2136 25.2983 25.2983 30.8749 30.8749 31.4074 31.4074 k = 0.4626-0.2479 0.6124 ( 637 PWs) bands (ev): -39.2230 -39.2230 -15.5698 -15.5698 -13.1748 -13.1748 -13.0959 -13.0959 16.3311 16.3311 16.3366 16.3366 24.0509 24.0509 25.2556 25.2556 25.3477 25.3477 30.8074 30.8074 31.3541 31.3541 k = 0.4655-0.2560 0.6124 ( 640 PWs) bands (ev): -39.2209 -39.2209 -15.5730 -15.5730 -13.1731 -13.1731 -13.1057 -13.1057 16.2933 16.2933 16.2981 16.2981 24.2403 24.2403 25.2956 25.2956 25.3953 25.3953 30.7413 30.7413 31.3031 31.3031 k = 0.4684-0.2641 0.6124 ( 628 PWs) bands (ev): -39.2182 -39.2182 -15.5757 -15.5757 -13.1712 -13.1712 -13.1146 -13.1146 16.2584 16.2584 16.2624 16.2624 24.4235 24.4235 25.3336 25.3336 25.4407 25.4407 30.6770 30.6770 31.2546 31.2546 k = 0.4713-0.2723 0.6124 ( 628 PWs) bands (ev): -39.2163 -39.2163 -15.5785 -15.5785 -13.1698 -13.1698 -13.1228 -13.1228 16.2264 16.2264 16.2297 16.2297 24.5994 24.5994 25.3691 25.3691 25.4837 25.4837 30.6147 30.6147 31.2091 31.2091 k = 0.4741-0.2804 0.6124 ( 628 PWs) bands (ev): -39.2145 -39.2145 -15.5810 -15.5810 -13.1684 -13.1684 -13.1304 -13.1304 16.1973 16.1973 16.1999 16.1999 24.7662 24.7662 25.4021 25.4021 25.5243 25.5243 30.5549 30.5550 31.1667 31.1667 k = 0.4770-0.2885 0.6124 ( 628 PWs) bands (ev): -39.2130 -39.2130 -15.5833 -15.5833 -13.1672 -13.1672 -13.1371 -13.1371 16.1711 16.1711 16.1732 16.1732 24.9222 24.9222 25.4324 25.4324 25.5623 25.5623 30.4981 30.4981 31.1278 31.1278 k = 0.4799-0.2967 0.6124 ( 628 PWs) bands (ev): -39.2116 -39.2116 -15.5854 -15.5854 -13.1661 -13.1661 -13.1431 -13.1431 16.1480 16.1480 16.1496 16.1496 25.0656 25.0656 25.4596 25.4596 25.5976 25.5976 30.4447 30.4447 31.0928 31.0928 k = 0.4828-0.3048 0.6124 ( 628 PWs) bands (ev): -39.2104 -39.2104 -15.5872 -15.5872 -13.1652 -13.1652 -13.1483 -13.1483 16.1278 16.1278 16.1291 16.1291 25.1940 25.1940 25.4836 25.4836 25.6303 25.6303 30.3954 30.3954 31.0619 31.0619 k = 0.4856-0.3129 0.6124 ( 628 PWs) bands (ev): -39.2093 -39.2093 -15.5887 -15.5887 -13.1644 -13.1644 -13.1527 -13.1527 16.1108 16.1108 16.1116 16.1116 25.3052 25.3052 25.5043 25.5043 25.6605 25.6605 30.3511 30.3511 31.0353 31.0353 k = 0.4885-0.3210 0.6124 ( 622 PWs) bands (ev): -39.2082 -39.2082 -15.5899 -15.5899 -13.1636 -13.1636 -13.1562 -13.1562 16.0968 16.0968 16.0973 16.0973 25.3968 25.3968 25.5214 25.5214 25.6884 25.6884 30.3128 30.3128 31.0132 31.0132 k = 0.4914-0.3292 0.6124 ( 610 PWs) bands (ev): -39.2069 -39.2069 -15.5906 -15.5906 -13.1630 -13.1630 -13.1587 -13.1587 16.0859 16.0859 16.0862 16.0862 25.4671 25.4671 25.5349 25.5349 25.7137 25.7137 30.2815 30.2815 30.9959 30.9959 k = 0.4943-0.3373 0.6124 ( 610 PWs) bands (ev): -39.2064 -39.2064 -15.5913 -15.5913 -13.1626 -13.1626 -13.1607 -13.1607 16.0781 16.0781 16.0782 16.0782 25.5156 25.5156 25.5446 25.5446 25.7349 25.7349 30.2582 30.2582 30.9834 30.9834 k = 0.4971-0.3454 0.6124 ( 610 PWs) bands (ev): -39.2061 -39.2061 -15.5918 -15.5918 -13.1624 -13.1624 -13.1619 -13.1619 16.0734 16.0734 16.0735 16.0735 25.5434 25.5434 25.5504 25.5504 25.7496 25.7496 30.2438 30.2438 30.9758 30.9758 k = 0.5000-0.3536 0.6124 ( 610 PWs) bands (ev): -39.2060 -39.2060 -15.5919 -15.5919 -13.1623 -13.1623 -13.1623 -13.1623 16.0719 16.0719 16.0719 16.0719 25.5524 25.5524 25.5524 25.5524 25.7548 25.7548 30.2389 30.2389 30.9733 30.9733 k = 0.2500 0.3536 0.6124 ( 604 PWs) bands (ev): -39.3765 -39.3765 -15.3516 -15.3516 -12.8930 -12.8930 -12.8930 -12.8930 18.8371 18.8371 18.9785 18.9785 18.9785 18.9785 24.0576 24.0576 24.0576 24.0576 31.3235 31.3235 33.0949 33.0949 k = 0.2451 0.3466 0.6124 ( 604 PWs) bands (ev): -39.3766 -39.3766 -15.3517 -15.3517 -12.9063 -12.9063 -12.8794 -12.8794 18.8237 18.8237 18.9528 18.9528 19.0165 19.0165 24.0540 24.0540 24.0602 24.0602 31.3248 31.3248 33.0466 33.0466 k = 0.2402 0.3397 0.6124 ( 622 PWs) bands (ev): -39.3775 -39.3775 -15.3522 -15.3522 -12.9196 -12.9196 -12.8657 -12.8657 18.7914 18.7914 18.9336 18.9336 19.0647 19.0647 24.0493 24.0493 24.0619 24.0619 31.3286 31.3286 32.9379 32.9379 k = 0.2353 0.3328 0.6124 ( 622 PWs) bands (ev): -39.3776 -39.3776 -15.3524 -15.3524 -12.9323 -12.9323 -12.8515 -12.8515 18.7514 18.7514 18.9135 18.9135 19.1193 19.1193 24.0434 24.0434 24.0629 24.0629 31.3351 31.3351 32.8093 32.8093 k = 0.2304 0.3258 0.6124 ( 622 PWs) bands (ev): -39.3778 -39.3778 -15.3528 -15.3528 -12.9446 -12.9446 -12.8371 -12.8371 18.7093 18.7093 18.8893 18.8893 19.1781 19.1781 24.0362 24.0362 24.0632 24.0632 31.3444 31.3444 32.6729 32.6729 k = 0.2255 0.3189 0.6124 ( 630 PWs) bands (ev): -39.3784 -39.3784 -15.3533 -15.3533 -12.9565 -12.9565 -12.8226 -12.8226 18.6671 18.6671 18.8599 18.8599 19.2402 19.2402 24.0276 24.0276 24.0629 24.0629 31.3565 31.3565 32.5318 32.5318 k = 0.2206 0.3120 0.6124 ( 630 PWs) bands (ev): -39.3786 -39.3786 -15.3539 -15.3539 -12.9680 -12.9680 -12.8078 -12.8078 18.6259 18.6259 18.8250 18.8250 19.3052 19.3052 24.0176 24.0176 24.0622 24.0622 31.3716 31.3716 32.3875 32.3875 k = 0.2157 0.3050 0.6124 ( 630 PWs) bands (ev): -39.3789 -39.3789 -15.3545 -15.3545 -12.9791 -12.9791 -12.7927 -12.7927 18.5860 18.5860 18.7848 18.7848 19.3727 19.3727 24.0062 24.0062 24.0611 24.0611 31.3896 31.3896 32.2406 32.2406 k = 0.2108 0.2981 0.6124 ( 630 PWs) bands (ev): -39.3792 -39.3792 -15.3552 -15.3552 -12.9898 -12.9898 -12.7775 -12.7775 18.5475 18.5475 18.7395 18.7395 19.4425 19.4425 23.9936 23.9936 24.0596 24.0596 31.4107 31.4107 32.0916 32.0916 k = 0.2059 0.2912 0.6124 ( 630 PWs) bands (ev): -39.3795 -39.3795 -15.3560 -15.3560 -13.0001 -13.0001 -12.7622 -12.7622 18.5105 18.5105 18.6894 18.6894 19.5148 19.5148 23.9796 23.9796 24.0578 24.0578 31.4349 31.4349 31.9409 31.9409 k = 0.2010 0.2842 0.6124 ( 630 PWs) bands (ev): -39.3799 -39.3799 -15.3569 -15.3569 -13.0099 -13.0099 -12.7467 -12.7467 18.4748 18.4748 18.6351 18.6351 19.5892 19.5892 23.9643 23.9643 24.0556 24.0556 31.4620 31.4620 31.7889 31.7889 k = 0.1961 0.2773 0.6124 ( 630 PWs) bands (ev): -39.3803 -39.3803 -15.3579 -15.3579 -13.0192 -13.0192 -12.7312 -12.7312 18.4400 18.4400 18.5774 18.5774 19.6658 19.6658 23.9479 23.9479 24.0533 24.0533 31.4903 31.4903 31.6374 31.6374 k = 0.1912 0.2704 0.6124 ( 630 PWs) bands (ev): -39.3807 -39.3807 -15.3590 -15.3590 -13.0281 -13.0281 -12.7156 -12.7156 18.4051 18.4051 18.5174 18.5174 19.7446 19.7446 23.9304 23.9304 24.0506 24.0506 31.4669 31.4669 31.5397 31.5397 k = 0.1863 0.2634 0.6124 ( 630 PWs) bands (ev): -39.3812 -39.3812 -15.3601 -15.3601 -13.0366 -13.0366 -12.7000 -12.7000 18.3678 18.3678 18.4581 18.4581 19.8254 19.8254 23.9119 23.9119 24.0478 24.0478 31.3184 31.3184 31.5692 31.5692 k = 0.1814 0.2565 0.6124 ( 630 PWs) bands (ev): -39.3817 -39.3817 -15.3614 -15.3614 -13.0446 -13.0446 -12.6844 -12.6844 18.3226 18.3226 18.4050 18.4050 19.9083 19.9083 23.8925 23.8925 24.0448 24.0448 31.1622 31.1622 31.6084 31.6084 k = 0.1765 0.2496 0.6124 ( 628 PWs) bands (ev): -39.3821 -39.3821 -15.3627 -15.3627 -13.0521 -13.0521 -12.6687 -12.6687 18.2646 18.2646 18.3637 18.3637 19.9933 19.9933 23.8722 23.8722 24.0416 24.0416 31.0045 31.0045 31.6513 31.6513 k = 0.1716 0.2426 0.6124 ( 632 PWs) bands (ev): -39.3828 -39.3828 -15.3642 -15.3642 -13.0593 -13.0593 -12.6533 -12.6533 18.1959 18.1959 18.3322 18.3322 20.0802 20.0802 23.8512 23.8512 24.0382 24.0382 30.8460 30.8460 31.6973 31.6973 k = 0.1667 0.2357 0.6124 ( 634 PWs) bands (ev): -39.3835 -39.3835 -15.3657 -15.3657 -13.0660 -13.0660 -12.6378 -12.6378 18.1213 18.1213 18.3063 18.3063 20.1690 20.1690 23.8296 23.8296 24.0347 24.0347 30.6868 30.6868 31.7460 31.7460 k = 0.1618 0.2288 0.6124 ( 628 PWs) bands (ev): -39.3838 -39.3838 -15.3671 -15.3671 -13.0721 -13.0721 -12.6224 -12.6224 18.0430 18.0430 18.2839 18.2839 20.2597 20.2597 23.8075 23.8075 24.0310 24.0310 30.5273 30.5273 31.7972 31.7972 k = 0.1569 0.2218 0.6124 ( 628 PWs) bands (ev): -39.3844 -39.3844 -15.3688 -15.3688 -13.0778 -13.0778 -12.6071 -12.6071 17.9626 17.9626 18.2639 18.2639 20.3522 20.3522 23.7850 23.7850 24.0273 24.0273 30.3674 30.3674 31.8508 31.8508 k = 0.1520 0.2149 0.6124 ( 628 PWs) bands (ev): -39.3850 -39.3850 -15.3705 -15.3705 -13.0831 -13.0831 -12.5920 -12.5920 17.8806 17.8806 18.2459 18.2459 20.4465 20.4465 23.7621 23.7621 24.0234 24.0234 30.2074 30.2074 31.9065 31.9065 k = 0.1471 0.2080 0.6124 ( 624 PWs) bands (ev): -39.3854 -39.3854 -15.3721 -15.3721 -13.0880 -13.0880 -12.5770 -12.5770 17.7976 17.7976 18.2297 18.2297 20.5426 20.5426 23.7389 23.7389 24.0195 24.0195 30.0473 30.0473 31.9641 31.9641 k = 0.1422 0.2010 0.6124 ( 624 PWs) bands (ev): -39.3861 -39.3861 -15.3739 -15.3739 -13.0925 -13.0925 -12.5623 -12.5623 17.7141 17.7141 18.2152 18.2152 20.6402 20.6402 23.7157 23.7157 24.0155 24.0155 29.8873 29.8873 32.0234 32.0234 k = 0.1373 0.1941 0.6124 ( 624 PWs) bands (ev): -39.3867 -39.3867 -15.3758 -15.3758 -13.0966 -13.0966 -12.5478 -12.5478 17.6305 17.6305 18.2021 18.2021 20.7395 20.7395 23.6924 23.6924 24.0115 24.0115 29.7275 29.7275 32.0841 32.0841 k = 0.1324 0.1872 0.6124 ( 624 PWs) bands (ev): -39.3874 -39.3874 -15.3777 -15.3777 -13.1003 -13.1003 -12.5336 -12.5336 17.5471 17.5471 18.1905 18.1905 20.8402 20.8402 23.6691 23.6691 24.0075 24.0075 29.5680 29.5680 32.1460 32.1460 k = 0.1275 0.1802 0.6124 ( 628 PWs) bands (ev): -39.3882 -39.3882 -15.3797 -15.3797 -13.1038 -13.1038 -12.5196 -12.5196 17.4642 17.4642 18.1802 18.1802 20.9424 20.9424 23.6460 23.6460 24.0034 24.0034 29.4090 29.4090 32.2089 32.2089 k = 0.1225 0.1733 0.6124 ( 628 PWs) bands (ev): -39.3889 -39.3889 -15.3817 -15.3817 -13.1068 -13.1068 -12.5060 -12.5060 17.3822 17.3822 18.1711 18.1711 21.0459 21.0459 23.6231 23.6231 23.9993 23.9993 29.2506 29.2506 32.2724 32.2724 k = 0.1176 0.1664 0.6124 ( 624 PWs) bands (ev): -39.3894 -39.3894 -15.3836 -15.3836 -13.1094 -13.1094 -12.4925 -12.4925 17.3013 17.3013 18.1632 18.1632 21.1506 21.1506 23.6004 23.6004 23.9953 23.9953 29.0929 29.0929 32.3365 32.3365 k = 0.1127 0.1594 0.6124 ( 624 PWs) bands (ev): -39.3900 -39.3900 -15.3855 -15.3855 -13.1117 -13.1117 -12.4795 -12.4795 17.2218 17.2218 18.1564 18.1564 21.2563 21.2563 23.5782 23.5782 23.9912 23.9912 28.9361 28.9361 32.4007 32.4007 k = 0.1078 0.1525 0.6124 ( 624 PWs) bands (ev): -39.3907 -39.3907 -15.3875 -15.3875 -13.1138 -13.1138 -12.4669 -12.4669 17.1440 17.1440 18.1506 18.1506 21.3631 21.3631 23.5564 23.5564 23.9873 23.9873 28.7803 28.7803 32.4649 32.4649 k = 0.1029 0.1456 0.6124 ( 624 PWs) bands (ev): -39.3913 -39.3913 -15.3895 -15.3895 -13.1155 -13.1155 -12.4546 -12.4546 17.0681 17.0681 18.1457 18.1457 21.4706 21.4706 23.5351 23.5351 23.9834 23.9834 28.6257 28.6257 32.5288 32.5288 k = 0.0980 0.1386 0.6124 ( 624 PWs) bands (ev): -39.3920 -39.3920 -15.3915 -15.3915 -13.1170 -13.1170 -12.4428 -12.4428 16.9943 16.9943 18.1417 18.1417 21.5788 21.5788 23.5143 23.5143 23.9795 23.9795 28.4725 28.4725 32.5920 32.5920 k = 0.0931 0.1317 0.6124 ( 624 PWs) bands (ev): -39.3926 -39.3926 -15.3934 -15.3934 -13.1183 -13.1183 -12.4314 -12.4314 16.9229 16.9229 18.1384 18.1384 21.6875 21.6875 23.4942 23.4942 23.9758 23.9758 28.3210 28.3210 32.6544 32.6544 k = 0.0882 0.1248 0.6124 ( 624 PWs) bands (ev): -39.3932 -39.3932 -15.3953 -15.3953 -13.1194 -13.1194 -12.4204 -12.4204 16.8540 16.8540 18.1359 18.1359 21.7964 21.7964 23.4748 23.4748 23.9721 23.9721 28.1713 28.1713 32.7157 32.7157 k = 0.0833 0.1179 0.6124 ( 628 PWs) bands (ev): -39.3940 -39.3940 -15.3972 -15.3972 -13.1203 -13.1203 -12.4100 -12.4100 16.7878 16.7878 18.1340 18.1340 21.9053 21.9053 23.4562 23.4562 23.9686 23.9686 28.0237 28.0237 32.7756 32.7756 k = 0.0784 0.1109 0.6124 ( 628 PWs) bands (ev): -39.3945 -39.3945 -15.3990 -15.3990 -13.1210 -13.1210 -12.4000 -12.4000 16.7245 16.7245 18.1326 18.1326 22.0139 22.0139 23.4384 23.4384 23.9652 23.9652 27.8786 27.8786 32.8339 32.8339 k = 0.0735 0.1040 0.6124 ( 624 PWs) bands (ev): -39.3949 -39.3949 -15.4007 -15.4007 -13.1215 -13.1215 -12.3905 -12.3905 16.6642 16.6642 18.1318 18.1318 22.1219 22.1219 23.4214 23.4214 23.9619 23.9619 27.7362 27.7362 32.8902 32.8902 k = 0.0686 0.0971 0.6124 ( 624 PWs) bands (ev): -39.3954 -39.3954 -15.4024 -15.4024 -13.1218 -13.1218 -12.3816 -12.3816 16.6072 16.6072 18.1313 18.1313 22.2289 22.2289 23.4053 23.4053 23.9587 23.9587 27.5970 27.5970 32.9444 32.9444 k = 0.0637 0.0901 0.6124 ( 624 PWs) bands (ev): -39.3959 -39.3959 -15.4040 -15.4040 -13.1221 -13.1221 -12.3732 -12.3732 16.5535 16.5535 18.1313 18.1313 22.3345 22.3345 23.3901 23.3901 23.9558 23.9558 27.4614 27.4614 32.9962 32.9962 k = 0.0588 0.0832 0.6124 ( 624 PWs) bands (ev): -39.3964 -39.3964 -15.4055 -15.4055 -13.1223 -13.1223 -12.3653 -12.3653 16.5033 16.5033 18.1315 18.1315 22.4381 22.4381 23.3759 23.3759 23.9529 23.9529 27.3299 27.3299 33.0452 33.0452 k = 0.0539 0.0763 0.6124 ( 628 PWs) bands (ev): -39.3970 -39.3970 -15.4070 -15.4070 -13.1225 -13.1225 -12.3581 -12.3581 16.4567 16.4567 18.1319 18.1319 22.5391 22.5391 23.3627 23.3627 23.9503 23.9503 27.2032 27.2032 33.0914 33.0914 k = 0.0490 0.0693 0.6124 ( 628 PWs) bands (ev): -39.3974 -39.3974 -15.4084 -15.4084 -13.1225 -13.1225 -12.3514 -12.3514 16.4137 16.4137 18.1326 18.1326 22.6370 22.6370 23.3506 23.3506 23.9478 23.9478 27.0819 27.0819 33.1344 33.1344 k = 0.0441 0.0624 0.6124 ( 624 PWs) bands (ev): -39.3976 -39.3976 -15.4095 -15.4095 -13.1224 -13.1224 -12.3453 -12.3453 16.3746 16.3746 18.1333 18.1333 22.7308 22.7308 23.3395 23.3395 23.9455 23.9455 26.9670 26.9670 33.1740 33.1740 k = 0.0392 0.0555 0.6124 ( 624 PWs) bands (ev): -39.3979 -39.3979 -15.4106 -15.4106 -13.1223 -13.1223 -12.3398 -12.3398 16.3394 16.3394 18.1341 18.1341 22.8197 22.8197 23.3295 23.3295 23.9434 23.9434 26.8592 26.8592 33.2101 33.2101 k = 0.0343 0.0485 0.6124 ( 624 PWs) bands (ev): -39.3982 -39.3982 -15.4116 -15.4116 -13.1222 -13.1222 -12.3349 -12.3349 16.3081 16.3081 18.1349 18.1349 22.9025 22.9025 23.3206 23.3206 23.9415 23.9415 26.7596 26.7596 33.2424 33.2424 k = 0.0294 0.0416 0.6124 ( 624 PWs) bands (ev): -39.3984 -39.3984 -15.4125 -15.4125 -13.1221 -13.1221 -12.3307 -12.3307 16.2809 16.2809 18.1357 18.1357 22.9783 22.9783 23.3128 23.3128 23.9399 23.9399 26.6695 26.6695 33.2708 33.2708 k = 0.0245 0.0347 0.6124 ( 624 PWs) bands (ev): -39.3987 -39.3987 -15.4133 -15.4133 -13.1220 -13.1220 -12.3271 -12.3271 16.2577 16.2577 18.1365 18.1365 23.0456 23.0456 23.3062 23.3062 23.9384 23.9384 26.5900 26.5900 33.2951 33.2951 k = 0.0196 0.0277 0.6124 ( 624 PWs) bands (ev): -39.3988 -39.3988 -15.4139 -15.4139 -13.1219 -13.1219 -12.3241 -12.3241 16.2387 16.2387 18.1371 18.1371 23.1032 23.1032 23.3007 23.3007 23.9372 23.9372 26.5225 26.5225 33.3152 33.3152 k = 0.0147 0.0208 0.6124 ( 626 PWs) bands (ev): -39.3991 -39.3991 -15.4144 -15.4144 -13.1219 -13.1219 -12.3218 -12.3218 16.2239 16.2239 18.1377 18.1377 23.1498 23.1498 23.2963 23.2963 23.9362 23.9362 26.4684 26.4684 33.3309 33.3309 k = 0.0098 0.0139 0.6124 ( 626 PWs) bands (ev): -39.3992 -39.3992 -15.4148 -15.4148 -13.1218 -13.1218 -12.3202 -12.3202 16.2133 16.2133 18.1381 18.1381 23.1842 23.1842 23.2930 23.2930 23.9355 23.9355 26.4287 26.4287 33.3422 33.3422 k = 0.0049 0.0069 0.6124 ( 630 PWs) bands (ev): -39.3995 -39.3995 -15.4150 -15.4150 -13.1218 -13.1218 -12.3193 -12.3193 16.2069 16.2069 18.1383 18.1383 23.2054 23.2054 23.2910 23.2910 23.9350 23.9350 26.4045 26.4045 33.3490 33.3490 k = 0.0000 0.0000 0.6124 ( 630 PWs) bands (ev): -39.3995 -39.3995 -15.4151 -15.4151 -13.1218 -13.1218 -12.3190 -12.3190 16.2048 16.2048 18.1384 18.1384 23.2126 23.2126 23.2903 23.2903 23.9349 23.9349 26.3963 26.3963 33.3513 33.3513 Writing output data file Mo.save init_run : 0.06s CPU 0.18s WALL ( 1 calls) electrons : 26.31s CPU 27.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 26.30s CPU 27.24s 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 : 0.02s CPU 0.01s WALL ( 474 calls) cegterg : 24.18s CPU 24.84s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 8.89s CPU 9.43s WALL ( 6431 calls) s_psi : 0.29s CPU 0.32s WALL ( 6431 calls) g_psi : 0.02s CPU 0.02s WALL ( 5475 calls) cdiaghg : 14.70s CPU 14.91s WALL ( 5949 calls) cegterg:over : 0.67s CPU 0.68s WALL ( 5475 calls) cegterg:upda : 0.54s CPU 0.54s WALL ( 5475 calls) cegterg:last : 0.28s CPU 0.24s WALL ( 956 calls) cdiaghg:chol : 0.79s CPU 0.77s WALL ( 5949 calls) cdiaghg:inve : 0.08s CPU 0.15s WALL ( 5949 calls) cdiaghg:para : 0.98s CPU 1.05s WALL ( 11898 calls) Called by h_psi: h_psi:vloc : 8.15s CPU 8.61s WALL ( 6431 calls) h_psi:vnl : 0.72s CPU 0.80s WALL ( 6431 calls) add_vuspsi : 0.33s CPU 0.42s WALL ( 6431 calls) General routines calbec : 0.36s CPU 0.37s WALL ( 6431 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 7.72s CPU 8.17s WALL ( 303664 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.10s WALL ( 948 calls) Parallel routines fft_scatter : 4.80s CPU 5.06s WALL ( 303687 calls) PWSCF : 33.64s CPU 55.59s WALL This run was terminated on: 20:55:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=