Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15: 3 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: ./Zr2Pd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 109 47 14 2401 677 111 Max 110 48 15 2404 693 114 Sum 3945 1711 505 86481 24671 4047 bravais-lattice index = 14 lattice parameter (alat) = 11.2007 a.u. unit-cell volume = 402.3043 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.200711 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.844201 celldm(5)= -0.844201 celldm(6)= 0.688402 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.688402 0.725330 0.000000 ) a(3) = ( -0.844201 -0.362665 0.394714 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.949088 1.266740 ) b(2) = ( 0.000000 1.378684 1.266740 ) b(3) = ( 0.000000 0.000000 2.533480 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Zr 4.00 91.22400 Zr( 1.00) Pd 18.00 106.42000 Pd( 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= 411 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0186285), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0372571), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0558856), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0745141), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0931427), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.1117712), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.1303997), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.1490282), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.1676568), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.1862853), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.2049138), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.2235424), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.2421709), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.2607994), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.2794280), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.2980565), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.3166850), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.3353135), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.3539421), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.3725706), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.3911991), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.4098277), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.4284562), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.4470847), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.4657133), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.4843418), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.5029703), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.5215988), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.5402274), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.5588559), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.5774844), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.5961130), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.6147415), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.6333700), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.6519985), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.6706271), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.6892556), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.7078841), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.7265127), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.7451412), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.7637697), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.7823983), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.8010268), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.8196553), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.8382838), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.8569124), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.8755409), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.8941695), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.9127980), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.9314265), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.9500550), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.9686836), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.9873121), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 1.0059406), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 1.0245691), wk = 0.0024331 k( 57) = ( 0.0000000 0.0000000 1.0431977), wk = 0.0024331 k( 58) = ( 0.0000000 0.0000000 1.0618262), wk = 0.0024331 k( 59) = ( 0.0000000 0.0000000 1.0804547), wk = 0.0024331 k( 60) = ( 0.0000000 0.0000000 1.0990833), wk = 0.0024331 k( 61) = ( 0.0000000 0.0000000 1.1177118), wk = 0.0024331 k( 62) = ( 0.0000000 0.0000000 1.1363403), wk = 0.0024331 k( 63) = ( 0.0000000 0.0000000 1.1549689), wk = 0.0024331 k( 64) = ( 0.0000000 0.0000000 1.1735974), wk = 0.0024331 k( 65) = ( 0.0000000 0.0000000 1.1922259), wk = 0.0024331 k( 66) = ( 0.0000000 0.0000000 1.2108545), wk = 0.0024331 k( 67) = ( 0.0000000 0.0000000 1.2294830), wk = 0.0024331 k( 68) = ( 0.0000000 0.0000000 1.2481115), wk = 0.0024331 k( 69) = ( 0.0000000 0.0000000 1.2667400), wk = 0.0024331 k( 70) = ( 0.0000000 0.0000000 1.2667400), wk = 0.0024331 k( 71) = ( -0.0065911 0.0153427 1.2667400), wk = 0.0024331 k( 72) = ( -0.0131823 0.0306854 1.2667400), wk = 0.0024331 k( 73) = ( -0.0197735 0.0460281 1.2667400), wk = 0.0024331 k( 74) = ( -0.0263646 0.0613708 1.2667400), wk = 0.0024331 k( 75) = ( -0.0329557 0.0767135 1.2667400), wk = 0.0024331 k( 76) = ( -0.0395469 0.0920562 1.2667400), wk = 0.0024331 k( 77) = ( -0.0461380 0.1073988 1.2667400), wk = 0.0024331 k( 78) = ( -0.0461380 0.1073988 1.2667400), wk = 0.0024331 k( 79) = ( -0.0512956 0.1194044 1.2536736), wk = 0.0024331 k( 80) = ( -0.0564531 0.1314099 1.2406071), wk = 0.0024331 k( 81) = ( -0.0616106 0.1434154 1.2275406), wk = 0.0024331 k( 82) = ( -0.0667681 0.1554210 1.2144741), wk = 0.0024331 k( 83) = ( -0.0719257 0.1674265 1.2014076), wk = 0.0024331 k( 84) = ( -0.0770832 0.1794320 1.1883412), wk = 0.0024331 k( 85) = ( -0.0822407 0.1914376 1.1752747), wk = 0.0024331 k( 86) = ( -0.0873982 0.2034431 1.1622082), wk = 0.0024331 k( 87) = ( -0.0925558 0.2154487 1.1491417), wk = 0.0024331 k( 88) = ( -0.0977133 0.2274542 1.1360753), wk = 0.0024331 k( 89) = ( -0.1028708 0.2394597 1.1230088), wk = 0.0024331 k( 90) = ( -0.1080283 0.2514652 1.1099423), wk = 0.0024331 k( 91) = ( -0.1131858 0.2634708 1.0968758), wk = 0.0024331 k( 92) = ( -0.1183434 0.2754763 1.0838093), wk = 0.0024331 k( 93) = ( -0.1235009 0.2874819 1.0707429), wk = 0.0024331 k( 94) = ( -0.1286584 0.2994874 1.0576764), wk = 0.0024331 k( 95) = ( -0.1338159 0.3114929 1.0446099), wk = 0.0024331 k( 96) = ( -0.1389734 0.3234985 1.0315434), wk = 0.0024331 k( 97) = ( -0.1441310 0.3355040 1.0184769), wk = 0.0024331 k( 98) = ( -0.1492885 0.3475095 1.0054105), wk = 0.0024331 k( 99) = ( -0.1544460 0.3595151 0.9923440), wk = 0.0024331 k( 100) = ( -0.1596035 0.3715206 0.9792775), wk = 0.0024331 k( 101) = ( -0.1647611 0.3835261 0.9662110), wk = 0.0024331 k( 102) = ( -0.1699186 0.3955317 0.9531445), wk = 0.0024331 k( 103) = ( -0.1750761 0.4075372 0.9400781), wk = 0.0024331 k( 104) = ( -0.1802336 0.4195427 0.9270116), wk = 0.0024331 k( 105) = ( -0.1853912 0.4315483 0.9139451), wk = 0.0024331 k( 106) = ( -0.1905487 0.4435538 0.9008786), wk = 0.0024331 k( 107) = ( -0.1957062 0.4555593 0.8878121), wk = 0.0024331 k( 108) = ( -0.2008637 0.4675649 0.8747456), wk = 0.0024331 k( 109) = ( -0.2060212 0.4795704 0.8616792), wk = 0.0024331 k( 110) = ( -0.2111788 0.4915760 0.8486127), wk = 0.0024331 k( 111) = ( -0.2163363 0.5035815 0.8355462), wk = 0.0024331 k( 112) = ( -0.2214938 0.5155870 0.8224797), wk = 0.0024331 k( 113) = ( -0.2266513 0.5275925 0.8094132), wk = 0.0024331 k( 114) = ( -0.2318089 0.5395981 0.7963468), wk = 0.0024331 k( 115) = ( -0.2369664 0.5516036 0.7832803), wk = 0.0024331 k( 116) = ( -0.2421239 0.5636092 0.7702138), wk = 0.0024331 k( 117) = ( -0.2472814 0.5756147 0.7571473), wk = 0.0024331 k( 118) = ( -0.2524389 0.5876202 0.7440808), wk = 0.0024331 k( 119) = ( -0.2575965 0.5996258 0.7310144), wk = 0.0024331 k( 120) = ( -0.2627540 0.6116313 0.7179479), wk = 0.0024331 k( 121) = ( -0.2679115 0.6236368 0.7048814), wk = 0.0024331 k( 122) = ( -0.2730690 0.6356424 0.6918149), wk = 0.0024331 k( 123) = ( -0.2730690 0.6356424 0.6918149), wk = 0.0024331 k( 124) = ( -0.2678177 0.6234185 0.6785108), wk = 0.0024331 k( 125) = ( -0.2625664 0.6111946 0.6652067), wk = 0.0024331 k( 126) = ( -0.2573150 0.5989707 0.6519025), wk = 0.0024331 k( 127) = ( -0.2520637 0.5867468 0.6385984), wk = 0.0024331 k( 128) = ( -0.2468124 0.5745229 0.6252943), wk = 0.0024331 k( 129) = ( -0.2415611 0.5622990 0.6119901), wk = 0.0024331 k( 130) = ( -0.2363097 0.5500751 0.5986860), wk = 0.0024331 k( 131) = ( -0.2310584 0.5378512 0.5853819), wk = 0.0024331 k( 132) = ( -0.2258071 0.5256273 0.5720777), wk = 0.0024331 k( 133) = ( -0.2205557 0.5134034 0.5587736), wk = 0.0024331 k( 134) = ( -0.2153044 0.5011795 0.5454695), wk = 0.0024331 k( 135) = ( -0.2100531 0.4889557 0.5321653), wk = 0.0024331 k( 136) = ( -0.2048018 0.4767318 0.5188612), wk = 0.0024331 k( 137) = ( -0.1995504 0.4645079 0.5055571), wk = 0.0024331 k( 138) = ( -0.1942991 0.4522840 0.4922529), wk = 0.0024331 k( 139) = ( -0.1890478 0.4400601 0.4789488), wk = 0.0024331 k( 140) = ( -0.1837965 0.4278362 0.4656447), wk = 0.0024331 k( 141) = ( -0.1785451 0.4156123 0.4523405), wk = 0.0024331 k( 142) = ( -0.1732938 0.4033884 0.4390364), wk = 0.0024331 k( 143) = ( -0.1680425 0.3911645 0.4257323), wk = 0.0024331 k( 144) = ( -0.1627911 0.3789406 0.4124281), wk = 0.0024331 k( 145) = ( -0.1575398 0.3667167 0.3991240), wk = 0.0024331 k( 146) = ( -0.1522885 0.3544928 0.3858199), wk = 0.0024331 k( 147) = ( -0.1470372 0.3422690 0.3725157), wk = 0.0024331 k( 148) = ( -0.1417858 0.3300451 0.3592116), wk = 0.0024331 k( 149) = ( -0.1365345 0.3178212 0.3459075), wk = 0.0024331 k( 150) = ( -0.1312832 0.3055973 0.3326033), wk = 0.0024331 k( 151) = ( -0.1260319 0.2933734 0.3192992), wk = 0.0024331 k( 152) = ( -0.1207805 0.2811495 0.3059951), wk = 0.0024331 k( 153) = ( -0.1155292 0.2689256 0.2926909), wk = 0.0024331 k( 154) = ( -0.1102779 0.2567017 0.2793868), wk = 0.0024331 k( 155) = ( -0.1050265 0.2444778 0.2660827), wk = 0.0024331 k( 156) = ( -0.0997752 0.2322539 0.2527785), wk = 0.0024331 k( 157) = ( -0.0945239 0.2200300 0.2394744), wk = 0.0024331 k( 158) = ( -0.0892726 0.2078062 0.2261703), wk = 0.0024331 k( 159) = ( -0.0840212 0.1955823 0.2128661), wk = 0.0024331 k( 160) = ( -0.0787699 0.1833584 0.1995620), wk = 0.0024331 k( 161) = ( -0.0735186 0.1711345 0.1862579), wk = 0.0024331 k( 162) = ( -0.0682673 0.1589106 0.1729537), wk = 0.0024331 k( 163) = ( -0.0630159 0.1466867 0.1596496), wk = 0.0024331 k( 164) = ( -0.0577646 0.1344628 0.1463455), wk = 0.0024331 k( 165) = ( -0.0525133 0.1222389 0.1330413), wk = 0.0024331 k( 166) = ( -0.0472619 0.1100150 0.1197372), wk = 0.0024331 k( 167) = ( -0.0420106 0.0977911 0.1064331), wk = 0.0024331 k( 168) = ( -0.0367593 0.0855672 0.0931289), wk = 0.0024331 k( 169) = ( -0.0315080 0.0733433 0.0798248), wk = 0.0024331 k( 170) = ( -0.0262566 0.0611195 0.0665207), wk = 0.0024331 k( 171) = ( -0.0210053 0.0488956 0.0532165), wk = 0.0024331 k( 172) = ( -0.0157540 0.0366717 0.0399124), wk = 0.0024331 k( 173) = ( -0.0105027 0.0244478 0.0266083), wk = 0.0024331 k( 174) = ( -0.0052513 0.0122239 0.0133041), wk = 0.0024331 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 177) = ( 0.0172414 0.0074068 0.0000000), wk = 0.0024331 k( 178) = ( 0.0344828 0.0148136 0.0000000), wk = 0.0024331 k( 179) = ( 0.0517241 0.0222205 0.0000000), wk = 0.0024331 k( 180) = ( 0.0689655 0.0296273 0.0000000), wk = 0.0024331 k( 181) = ( 0.0862069 0.0370341 0.0000000), wk = 0.0024331 k( 182) = ( 0.1034483 0.0444409 0.0000000), wk = 0.0024331 k( 183) = ( 0.1206897 0.0518477 0.0000000), wk = 0.0024331 k( 184) = ( 0.1379310 0.0592545 0.0000000), wk = 0.0024331 k( 185) = ( 0.1551724 0.0666614 0.0000000), wk = 0.0024331 k( 186) = ( 0.1724138 0.0740682 0.0000000), wk = 0.0024331 k( 187) = ( 0.1896552 0.0814750 0.0000000), wk = 0.0024331 k( 188) = ( 0.2068966 0.0888818 0.0000000), wk = 0.0024331 k( 189) = ( 0.2241379 0.0962886 0.0000000), wk = 0.0024331 k( 190) = ( 0.2413793 0.1036954 0.0000000), wk = 0.0024331 k( 191) = ( 0.2586207 0.1111023 0.0000000), wk = 0.0024331 k( 192) = ( 0.2758621 0.1185091 0.0000000), wk = 0.0024331 k( 193) = ( 0.2931034 0.1259159 0.0000000), wk = 0.0024331 k( 194) = ( 0.3103448 0.1333227 0.0000000), wk = 0.0024331 k( 195) = ( 0.3275862 0.1407295 0.0000000), wk = 0.0024331 k( 196) = ( 0.3448276 0.1481363 0.0000000), wk = 0.0024331 k( 197) = ( 0.3620690 0.1555432 0.0000000), wk = 0.0024331 k( 198) = ( 0.3793103 0.1629500 0.0000000), wk = 0.0024331 k( 199) = ( 0.3965517 0.1703568 0.0000000), wk = 0.0024331 k( 200) = ( 0.4137931 0.1777636 0.0000000), wk = 0.0024331 k( 201) = ( 0.4310345 0.1851704 0.0000000), wk = 0.0024331 k( 202) = ( 0.4482759 0.1925772 0.0000000), wk = 0.0024331 k( 203) = ( 0.4655172 0.1999841 0.0000000), wk = 0.0024331 k( 204) = ( 0.4827586 0.2073909 0.0000000), wk = 0.0024331 k( 205) = ( 0.5000000 0.2147977 0.0000000), wk = 0.0024331 k( 206) = ( 0.5000000 0.2147977 0.0000000), wk = 0.0024331 k( 207) = ( 0.4948425 0.2268032 0.0130665), wk = 0.0024331 k( 208) = ( 0.4896850 0.2388088 0.0261329), wk = 0.0024331 k( 209) = ( 0.4845274 0.2508143 0.0391994), wk = 0.0024331 k( 210) = ( 0.4793699 0.2628198 0.0522659), wk = 0.0024331 k( 211) = ( 0.4742124 0.2748254 0.0653324), wk = 0.0024331 k( 212) = ( 0.4690549 0.2868309 0.0783989), wk = 0.0024331 k( 213) = ( 0.4638973 0.2988364 0.0914654), wk = 0.0024331 k( 214) = ( 0.4587398 0.3108420 0.1045318), wk = 0.0024331 k( 215) = ( 0.4535823 0.3228475 0.1175983), wk = 0.0024331 k( 216) = ( 0.4484248 0.3348530 0.1306648), wk = 0.0024331 k( 217) = ( 0.4432673 0.3468586 0.1437313), wk = 0.0024331 k( 218) = ( 0.4381097 0.3588641 0.1567978), wk = 0.0024331 k( 219) = ( 0.4329522 0.3708696 0.1698642), wk = 0.0024331 k( 220) = ( 0.4277947 0.3828752 0.1829307), wk = 0.0024331 k( 221) = ( 0.4226372 0.3948807 0.1959972), wk = 0.0024331 k( 222) = ( 0.4174796 0.4068862 0.2090637), wk = 0.0024331 k( 223) = ( 0.4123221 0.4188918 0.2221302), wk = 0.0024331 k( 224) = ( 0.4071646 0.4308973 0.2351966), wk = 0.0024331 k( 225) = ( 0.4020071 0.4429028 0.2482631), wk = 0.0024331 k( 226) = ( 0.3968496 0.4549084 0.2613296), wk = 0.0024331 k( 227) = ( 0.3916920 0.4669139 0.2743961), wk = 0.0024331 k( 228) = ( 0.3865345 0.4789195 0.2874626), wk = 0.0024331 k( 229) = ( 0.3813770 0.4909250 0.3005290), wk = 0.0024331 k( 230) = ( 0.3762195 0.5029305 0.3135955), wk = 0.0024331 k( 231) = ( 0.3710619 0.5149360 0.3266620), wk = 0.0024331 k( 232) = ( 0.3659044 0.5269416 0.3397285), wk = 0.0024331 k( 233) = ( 0.3607469 0.5389471 0.3527950), wk = 0.0024331 k( 234) = ( 0.3555894 0.5509527 0.3658614), wk = 0.0024331 k( 235) = ( 0.3504319 0.5629582 0.3789279), wk = 0.0024331 k( 236) = ( 0.3452743 0.5749637 0.3919944), wk = 0.0024331 k( 237) = ( 0.3401168 0.5869693 0.4050609), wk = 0.0024331 k( 238) = ( 0.3349593 0.5989748 0.4181274), wk = 0.0024331 k( 239) = ( 0.3298018 0.6109803 0.4311938), wk = 0.0024331 k( 240) = ( 0.3246443 0.6229859 0.4442603), wk = 0.0024331 k( 241) = ( 0.3194867 0.6349914 0.4573268), wk = 0.0024331 k( 242) = ( 0.3143292 0.6469969 0.4703933), wk = 0.0024331 k( 243) = ( 0.3091717 0.6590025 0.4834597), wk = 0.0024331 k( 244) = ( 0.3040142 0.6710080 0.4965262), wk = 0.0024331 k( 245) = ( 0.2988566 0.6830135 0.5095927), wk = 0.0024331 k( 246) = ( 0.2936991 0.6950191 0.5226592), wk = 0.0024331 k( 247) = ( 0.2885416 0.7070246 0.5357257), wk = 0.0024331 k( 248) = ( 0.2833841 0.7190301 0.5487921), wk = 0.0024331 k( 249) = ( 0.2782266 0.7310357 0.5618586), wk = 0.0024331 k( 250) = ( 0.2730690 0.7430412 0.5749251), wk = 0.0024331 k( 251) = ( 0.2730690 0.7430412 0.5749251), wk = 0.0024331 k( 252) = ( 0.2560022 0.7396850 0.5785779), wk = 0.0024331 k( 253) = ( 0.2389354 0.7363288 0.5822307), wk = 0.0024331 k( 254) = ( 0.2218686 0.7329726 0.5858835), wk = 0.0024331 k( 255) = ( 0.2048018 0.7296163 0.5895363), wk = 0.0024331 k( 256) = ( 0.1877350 0.7262601 0.5931892), wk = 0.0024331 k( 257) = ( 0.1706681 0.7229039 0.5968420), wk = 0.0024331 k( 258) = ( 0.1536013 0.7195477 0.6004947), wk = 0.0024331 k( 259) = ( 0.1365345 0.7161915 0.6041476), wk = 0.0024331 k( 260) = ( 0.1194677 0.7128353 0.6078004), wk = 0.0024331 k( 261) = ( 0.1024009 0.7094791 0.6114532), wk = 0.0024331 k( 262) = ( 0.0853341 0.7061229 0.6151060), wk = 0.0024331 k( 263) = ( 0.0682673 0.7027666 0.6187588), wk = 0.0024331 k( 264) = ( 0.0512004 0.6994104 0.6224116), wk = 0.0024331 k( 265) = ( 0.0341336 0.6960542 0.6260644), wk = 0.0024331 k( 266) = ( 0.0170668 0.6926980 0.6297172), wk = 0.0024331 k( 267) = ( 0.0000000 0.6893418 0.6333700), wk = 0.0024331 k( 268) = ( 0.0000000 0.6893418 0.6333700), wk = 0.0024331 k( 269) = ( 0.0052083 0.6772180 0.6465652), wk = 0.0024331 k( 270) = ( 0.0104167 0.6650942 0.6597604), wk = 0.0024331 k( 271) = ( 0.0156250 0.6529704 0.6729556), wk = 0.0024331 k( 272) = ( 0.0208333 0.6408465 0.6861508), wk = 0.0024331 k( 273) = ( 0.0260417 0.6287227 0.6993461), wk = 0.0024331 k( 274) = ( 0.0312500 0.6165989 0.7125413), wk = 0.0024331 k( 275) = ( 0.0364583 0.6044751 0.7257365), wk = 0.0024331 k( 276) = ( 0.0416667 0.5923513 0.7389317), wk = 0.0024331 k( 277) = ( 0.0468750 0.5802275 0.7521269), wk = 0.0024331 k( 278) = ( 0.0520833 0.5681037 0.7653221), wk = 0.0024331 k( 279) = ( 0.0572917 0.5559799 0.7785173), wk = 0.0024331 k( 280) = ( 0.0625000 0.5438561 0.7917125), wk = 0.0024331 k( 281) = ( 0.0677083 0.5317322 0.8049077), wk = 0.0024331 k( 282) = ( 0.0729167 0.5196084 0.8181030), wk = 0.0024331 k( 283) = ( 0.0781250 0.5074846 0.8312982), wk = 0.0024331 k( 284) = ( 0.0833333 0.4953608 0.8444934), wk = 0.0024331 k( 285) = ( 0.0885417 0.4832370 0.8576886), wk = 0.0024331 k( 286) = ( 0.0937500 0.4711132 0.8708838), wk = 0.0024331 k( 287) = ( 0.0989583 0.4589894 0.8840790), wk = 0.0024331 k( 288) = ( 0.1041667 0.4468656 0.8972742), wk = 0.0024331 k( 289) = ( 0.1093750 0.4347417 0.9104694), wk = 0.0024331 k( 290) = ( 0.1145833 0.4226179 0.9236646), wk = 0.0024331 k( 291) = ( 0.1197917 0.4104941 0.9368598), wk = 0.0024331 k( 292) = ( 0.1250000 0.3983703 0.9500550), wk = 0.0024331 k( 293) = ( 0.1302083 0.3862465 0.9632502), wk = 0.0024331 k( 294) = ( 0.1354167 0.3741227 0.9764455), wk = 0.0024331 k( 295) = ( 0.1406250 0.3619989 0.9896407), wk = 0.0024331 k( 296) = ( 0.1458333 0.3498751 1.0028359), wk = 0.0024331 k( 297) = ( 0.1510417 0.3377513 1.0160311), wk = 0.0024331 k( 298) = ( 0.1562500 0.3256274 1.0292263), wk = 0.0024331 k( 299) = ( 0.1614583 0.3135036 1.0424215), wk = 0.0024331 k( 300) = ( 0.1666667 0.3013798 1.0556167), wk = 0.0024331 k( 301) = ( 0.1718750 0.2892560 1.0688119), wk = 0.0024331 k( 302) = ( 0.1770833 0.2771322 1.0820071), wk = 0.0024331 k( 303) = ( 0.1822917 0.2650084 1.0952023), wk = 0.0024331 k( 304) = ( 0.1875000 0.2528846 1.1083975), wk = 0.0024331 k( 305) = ( 0.1927083 0.2407608 1.1215927), wk = 0.0024331 k( 306) = ( 0.1979167 0.2286370 1.1347880), wk = 0.0024331 k( 307) = ( 0.2031250 0.2165131 1.1479832), wk = 0.0024331 k( 308) = ( 0.2083333 0.2043893 1.1611784), wk = 0.0024331 k( 309) = ( 0.2135417 0.1922655 1.1743736), wk = 0.0024331 k( 310) = ( 0.2187500 0.1801417 1.1875688), wk = 0.0024331 k( 311) = ( 0.2239583 0.1680179 1.2007640), wk = 0.0024331 k( 312) = ( 0.2291667 0.1558941 1.2139592), wk = 0.0024331 k( 313) = ( 0.2343750 0.1437703 1.2271544), wk = 0.0024331 k( 314) = ( 0.2395833 0.1316465 1.2403496), wk = 0.0024331 k( 315) = ( 0.2447917 0.1195226 1.2535448), wk = 0.0024331 k( 316) = ( 0.2500000 0.1073988 1.2667400), wk = 0.0024331 k( 317) = ( 0.2500000 0.1073988 1.2667400), wk = 0.0024331 k( 318) = ( 0.2656250 0.1141113 1.2594344), wk = 0.0024331 k( 319) = ( 0.2812500 0.1208237 1.2521288), wk = 0.0024331 k( 320) = ( 0.2968750 0.1275361 1.2448232), wk = 0.0024331 k( 321) = ( 0.3125000 0.1342486 1.2375176), wk = 0.0024331 k( 322) = ( 0.3281250 0.1409610 1.2302120), wk = 0.0024331 k( 323) = ( 0.3437500 0.1476734 1.2229064), wk = 0.0024331 k( 324) = ( 0.3593750 0.1543858 1.2156007), wk = 0.0024331 k( 325) = ( 0.3750000 0.1610983 1.2082951), wk = 0.0024331 k( 326) = ( 0.3906250 0.1678107 1.2009895), wk = 0.0024331 k( 327) = ( 0.4062500 0.1745231 1.1936839), wk = 0.0024331 k( 328) = ( 0.4218750 0.1812356 1.1863783), wk = 0.0024331 k( 329) = ( 0.4375000 0.1879480 1.1790727), wk = 0.0024331 k( 330) = ( 0.4531250 0.1946604 1.1717671), wk = 0.0024331 k( 331) = ( 0.4687500 0.2013728 1.1644615), wk = 0.0024331 k( 332) = ( 0.4843750 0.2080853 1.1571558), wk = 0.0024331 k( 333) = ( 0.5000000 0.2147977 1.1498502), wk = 0.0024331 k( 334) = ( 0.5000000 0.2147977 1.1498502), wk = 0.0024331 k( 335) = ( 0.5000000 0.2147977 1.1310002), wk = 0.0024331 k( 336) = ( 0.5000000 0.2147977 1.1121502), wk = 0.0024331 k( 337) = ( 0.5000000 0.2147977 1.0933002), wk = 0.0024331 k( 338) = ( 0.5000000 0.2147977 1.0744502), wk = 0.0024331 k( 339) = ( 0.5000000 0.2147977 1.0556002), wk = 0.0024331 k( 340) = ( 0.5000000 0.2147977 1.0367502), wk = 0.0024331 k( 341) = ( 0.5000000 0.2147977 1.0179002), wk = 0.0024331 k( 342) = ( 0.5000000 0.2147977 0.9990502), wk = 0.0024331 k( 343) = ( 0.5000000 0.2147977 0.9802002), wk = 0.0024331 k( 344) = ( 0.5000000 0.2147977 0.9613502), wk = 0.0024331 k( 345) = ( 0.5000000 0.2147977 0.9425002), wk = 0.0024331 k( 346) = ( 0.5000000 0.2147977 0.9236502), wk = 0.0024331 k( 347) = ( 0.5000000 0.2147977 0.9048002), wk = 0.0024331 k( 348) = ( 0.5000000 0.2147977 0.8859502), wk = 0.0024331 k( 349) = ( 0.5000000 0.2147977 0.8671002), wk = 0.0024331 k( 350) = ( 0.5000000 0.2147977 0.8482502), wk = 0.0024331 k( 351) = ( 0.5000000 0.2147977 0.8294001), wk = 0.0024331 k( 352) = ( 0.5000000 0.2147977 0.8105501), wk = 0.0024331 k( 353) = ( 0.5000000 0.2147977 0.7917001), wk = 0.0024331 k( 354) = ( 0.5000000 0.2147977 0.7728501), wk = 0.0024331 k( 355) = ( 0.5000000 0.2147977 0.7540001), wk = 0.0024331 k( 356) = ( 0.5000000 0.2147977 0.7351501), wk = 0.0024331 k( 357) = ( 0.5000000 0.2147977 0.7163001), wk = 0.0024331 k( 358) = ( 0.5000000 0.2147977 0.6974501), wk = 0.0024331 k( 359) = ( 0.5000000 0.2147977 0.6786001), wk = 0.0024331 k( 360) = ( 0.5000000 0.2147977 0.6597501), wk = 0.0024331 k( 361) = ( 0.5000000 0.2147977 0.6409001), wk = 0.0024331 k( 362) = ( 0.5000000 0.2147977 0.6220501), wk = 0.0024331 k( 363) = ( 0.5000000 0.2147977 0.6032001), wk = 0.0024331 k( 364) = ( 0.5000000 0.2147977 0.5843501), wk = 0.0024331 k( 365) = ( 0.5000000 0.2147977 0.5655001), wk = 0.0024331 k( 366) = ( 0.5000000 0.2147977 0.5466501), wk = 0.0024331 k( 367) = ( 0.5000000 0.2147977 0.5278001), wk = 0.0024331 k( 368) = ( 0.5000000 0.2147977 0.5089501), wk = 0.0024331 k( 369) = ( 0.5000000 0.2147977 0.4901001), wk = 0.0024331 k( 370) = ( 0.5000000 0.2147977 0.4712501), wk = 0.0024331 k( 371) = ( 0.5000000 0.2147977 0.4524001), wk = 0.0024331 k( 372) = ( 0.5000000 0.2147977 0.4335501), wk = 0.0024331 k( 373) = ( 0.5000000 0.2147977 0.4147001), wk = 0.0024331 k( 374) = ( 0.5000000 0.2147977 0.3958501), wk = 0.0024331 k( 375) = ( 0.5000000 0.2147977 0.3770001), wk = 0.0024331 k( 376) = ( 0.5000000 0.2147977 0.3581501), wk = 0.0024331 k( 377) = ( 0.5000000 0.2147977 0.3393001), wk = 0.0024331 k( 378) = ( 0.5000000 0.2147977 0.3204501), wk = 0.0024331 k( 379) = ( 0.5000000 0.2147977 0.3016001), wk = 0.0024331 k( 380) = ( 0.5000000 0.2147977 0.2827501), wk = 0.0024331 k( 381) = ( 0.5000000 0.2147977 0.2639001), wk = 0.0024331 k( 382) = ( 0.5000000 0.2147977 0.2450501), wk = 0.0024331 k( 383) = ( 0.5000000 0.2147977 0.2262000), wk = 0.0024331 k( 384) = ( 0.5000000 0.2147977 0.2073500), wk = 0.0024331 k( 385) = ( 0.5000000 0.2147977 0.1885000), wk = 0.0024331 k( 386) = ( 0.5000000 0.2147977 0.1696500), wk = 0.0024331 k( 387) = ( 0.5000000 0.2147977 0.1508000), wk = 0.0024331 k( 388) = ( 0.5000000 0.2147977 0.1319500), wk = 0.0024331 k( 389) = ( 0.5000000 0.2147977 0.1131000), wk = 0.0024331 k( 390) = ( 0.5000000 0.2147977 0.0942500), wk = 0.0024331 k( 391) = ( 0.5000000 0.2147977 0.0754000), wk = 0.0024331 k( 392) = ( 0.5000000 0.2147977 0.0565500), wk = 0.0024331 k( 393) = ( 0.5000000 0.2147977 0.0377000), wk = 0.0024331 k( 394) = ( 0.5000000 0.2147977 0.0188500), wk = 0.0024331 k( 395) = ( 0.5000000 0.2147977 0.0000000), wk = 0.0024331 k( 396) = ( 0.0000000 0.0000000 1.2667400), wk = 0.0024331 k( 397) = ( 0.0166667 0.0071599 1.2667400), wk = 0.0024331 k( 398) = ( 0.0333333 0.0143198 1.2667400), wk = 0.0024331 k( 399) = ( 0.0500000 0.0214798 1.2667400), wk = 0.0024331 k( 400) = ( 0.0666667 0.0286397 1.2667400), wk = 0.0024331 k( 401) = ( 0.0833333 0.0357996 1.2667400), wk = 0.0024331 k( 402) = ( 0.1000000 0.0429595 1.2667400), wk = 0.0024331 k( 403) = ( 0.1166667 0.0501195 1.2667400), wk = 0.0024331 k( 404) = ( 0.1333333 0.0572794 1.2667400), wk = 0.0024331 k( 405) = ( 0.1500000 0.0644393 1.2667400), wk = 0.0024331 k( 406) = ( 0.1666667 0.0715992 1.2667400), wk = 0.0024331 k( 407) = ( 0.1833333 0.0787592 1.2667400), wk = 0.0024331 k( 408) = ( 0.2000000 0.0859191 1.2667400), wk = 0.0024331 k( 409) = ( 0.2166667 0.0930790 1.2667400), wk = 0.0024331 k( 410) = ( 0.2333333 0.1002389 1.2667400), wk = 0.0024331 k( 411) = ( 0.2500000 0.1073988 1.2667400), wk = 0.0024331 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0073529), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0220588), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0367647), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.0514706), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.0661765), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.0808824), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.0955882), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.1102941), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.1397059), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.1544118), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.1691177), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.1838235), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.1985294), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.2132353), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.2279412), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.2426471), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.2573529), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.2720588), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.2867647), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.3014706), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.3161765), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.3308823), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.3455882), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.3602941), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.3897059), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 0.4044118), wk = 0.0024331 k( 57) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0024331 k( 58) = ( 0.0000000 0.0000000 0.4191177), wk = 0.0024331 k( 59) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0024331 k( 60) = ( 0.0000000 0.0000000 0.4338235), wk = 0.0024331 k( 61) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0024331 k( 62) = ( 0.0000000 0.0000000 0.4485294), wk = 0.0024331 k( 63) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0024331 k( 64) = ( 0.0000000 0.0000000 0.4632353), wk = 0.0024331 k( 65) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0024331 k( 66) = ( 0.0000000 0.0000000 0.4779412), wk = 0.0024331 k( 67) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0024331 k( 68) = ( 0.0000000 0.0000000 0.4926471), wk = 0.0024331 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 70) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 71) = ( -0.0065911 0.0065912 0.5000000), wk = 0.0024331 k( 72) = ( -0.0131823 0.0131823 0.5000000), wk = 0.0024331 k( 73) = ( -0.0197735 0.0197735 0.5000000), wk = 0.0024331 k( 74) = ( -0.0263646 0.0263646 0.5000000), wk = 0.0024331 k( 75) = ( -0.0329557 0.0329558 0.5000000), wk = 0.0024331 k( 76) = ( -0.0395469 0.0395469 0.5000000), wk = 0.0024331 k( 77) = ( -0.0461380 0.0461380 0.5000000), wk = 0.0024331 k( 78) = ( -0.0461380 0.0461380 0.5000000), wk = 0.0024331 k( 79) = ( -0.0512956 0.0512956 0.4948425), wk = 0.0024331 k( 80) = ( -0.0564531 0.0564531 0.4896850), wk = 0.0024331 k( 81) = ( -0.0616106 0.0616106 0.4845274), wk = 0.0024331 k( 82) = ( -0.0667681 0.0667681 0.4793699), wk = 0.0024331 k( 83) = ( -0.0719257 0.0719257 0.4742124), wk = 0.0024331 k( 84) = ( -0.0770832 0.0770832 0.4690549), wk = 0.0024331 k( 85) = ( -0.0822407 0.0822407 0.4638973), wk = 0.0024331 k( 86) = ( -0.0873982 0.0873982 0.4587398), wk = 0.0024331 k( 87) = ( -0.0925558 0.0925557 0.4535823), wk = 0.0024331 k( 88) = ( -0.0977133 0.0977133 0.4484248), wk = 0.0024331 k( 89) = ( -0.1028708 0.1028708 0.4432673), wk = 0.0024331 k( 90) = ( -0.1080283 0.1080283 0.4381097), wk = 0.0024331 k( 91) = ( -0.1131858 0.1131858 0.4329522), wk = 0.0024331 k( 92) = ( -0.1183434 0.1183434 0.4277947), wk = 0.0024331 k( 93) = ( -0.1235009 0.1235009 0.4226372), wk = 0.0024331 k( 94) = ( -0.1286584 0.1286584 0.4174796), wk = 0.0024331 k( 95) = ( -0.1338159 0.1338159 0.4123221), wk = 0.0024331 k( 96) = ( -0.1389734 0.1389734 0.4071646), wk = 0.0024331 k( 97) = ( -0.1441310 0.1441310 0.4020071), wk = 0.0024331 k( 98) = ( -0.1492885 0.1492885 0.3968496), wk = 0.0024331 k( 99) = ( -0.1544460 0.1544460 0.3916920), wk = 0.0024331 k( 100) = ( -0.1596035 0.1596035 0.3865345), wk = 0.0024331 k( 101) = ( -0.1647611 0.1647611 0.3813770), wk = 0.0024331 k( 102) = ( -0.1699186 0.1699186 0.3762195), wk = 0.0024331 k( 103) = ( -0.1750761 0.1750761 0.3710619), wk = 0.0024331 k( 104) = ( -0.1802336 0.1802336 0.3659044), wk = 0.0024331 k( 105) = ( -0.1853912 0.1853912 0.3607469), wk = 0.0024331 k( 106) = ( -0.1905487 0.1905487 0.3555894), wk = 0.0024331 k( 107) = ( -0.1957062 0.1957062 0.3504319), wk = 0.0024331 k( 108) = ( -0.2008637 0.2008637 0.3452743), wk = 0.0024331 k( 109) = ( -0.2060212 0.2060212 0.3401168), wk = 0.0024331 k( 110) = ( -0.2111788 0.2111788 0.3349593), wk = 0.0024331 k( 111) = ( -0.2163363 0.2163363 0.3298018), wk = 0.0024331 k( 112) = ( -0.2214938 0.2214938 0.3246443), wk = 0.0024331 k( 113) = ( -0.2266513 0.2266513 0.3194867), wk = 0.0024331 k( 114) = ( -0.2318089 0.2318088 0.3143292), wk = 0.0024331 k( 115) = ( -0.2369664 0.2369664 0.3091717), wk = 0.0024331 k( 116) = ( -0.2421239 0.2421239 0.3040142), wk = 0.0024331 k( 117) = ( -0.2472814 0.2472814 0.2988566), wk = 0.0024331 k( 118) = ( -0.2524389 0.2524389 0.2936991), wk = 0.0024331 k( 119) = ( -0.2575965 0.2575965 0.2885416), wk = 0.0024331 k( 120) = ( -0.2627540 0.2627540 0.2833841), wk = 0.0024331 k( 121) = ( -0.2679115 0.2679115 0.2782266), wk = 0.0024331 k( 122) = ( -0.2730690 0.2730690 0.2730690), wk = 0.0024331 k( 123) = ( -0.2730690 0.2730690 0.2730690), wk = 0.0024331 k( 124) = ( -0.2678177 0.2678177 0.2678177), wk = 0.0024331 k( 125) = ( -0.2625664 0.2625664 0.2625664), wk = 0.0024331 k( 126) = ( -0.2573150 0.2573150 0.2573150), wk = 0.0024331 k( 127) = ( -0.2520637 0.2520637 0.2520637), wk = 0.0024331 k( 128) = ( -0.2468124 0.2468124 0.2468124), wk = 0.0024331 k( 129) = ( -0.2415611 0.2415611 0.2415611), wk = 0.0024331 k( 130) = ( -0.2363097 0.2363097 0.2363097), wk = 0.0024331 k( 131) = ( -0.2310584 0.2310584 0.2310584), wk = 0.0024331 k( 132) = ( -0.2258071 0.2258071 0.2258071), wk = 0.0024331 k( 133) = ( -0.2205557 0.2205557 0.2205557), wk = 0.0024331 k( 134) = ( -0.2153044 0.2153044 0.2153044), wk = 0.0024331 k( 135) = ( -0.2100531 0.2100531 0.2100531), wk = 0.0024331 k( 136) = ( -0.2048018 0.2048018 0.2048018), wk = 0.0024331 k( 137) = ( -0.1995504 0.1995504 0.1995504), wk = 0.0024331 k( 138) = ( -0.1942991 0.1942991 0.1942991), wk = 0.0024331 k( 139) = ( -0.1890478 0.1890478 0.1890478), wk = 0.0024331 k( 140) = ( -0.1837965 0.1837965 0.1837965), wk = 0.0024331 k( 141) = ( -0.1785451 0.1785451 0.1785451), wk = 0.0024331 k( 142) = ( -0.1732938 0.1732938 0.1732938), wk = 0.0024331 k( 143) = ( -0.1680425 0.1680425 0.1680425), wk = 0.0024331 k( 144) = ( -0.1627911 0.1627911 0.1627911), wk = 0.0024331 k( 145) = ( -0.1575398 0.1575398 0.1575398), wk = 0.0024331 k( 146) = ( -0.1522885 0.1522885 0.1522885), wk = 0.0024331 k( 147) = ( -0.1470372 0.1470372 0.1470372), wk = 0.0024331 k( 148) = ( -0.1417858 0.1417858 0.1417858), wk = 0.0024331 k( 149) = ( -0.1365345 0.1365345 0.1365345), wk = 0.0024331 k( 150) = ( -0.1312832 0.1312832 0.1312832), wk = 0.0024331 k( 151) = ( -0.1260319 0.1260319 0.1260319), wk = 0.0024331 k( 152) = ( -0.1207805 0.1207805 0.1207805), wk = 0.0024331 k( 153) = ( -0.1155292 0.1155292 0.1155292), wk = 0.0024331 k( 154) = ( -0.1102779 0.1102779 0.1102779), wk = 0.0024331 k( 155) = ( -0.1050265 0.1050265 0.1050265), wk = 0.0024331 k( 156) = ( -0.0997752 0.0997752 0.0997752), wk = 0.0024331 k( 157) = ( -0.0945239 0.0945239 0.0945239), wk = 0.0024331 k( 158) = ( -0.0892726 0.0892726 0.0892726), wk = 0.0024331 k( 159) = ( -0.0840212 0.0840212 0.0840212), wk = 0.0024331 k( 160) = ( -0.0787699 0.0787699 0.0787699), wk = 0.0024331 k( 161) = ( -0.0735186 0.0735186 0.0735186), wk = 0.0024331 k( 162) = ( -0.0682673 0.0682673 0.0682673), wk = 0.0024331 k( 163) = ( -0.0630159 0.0630159 0.0630159), wk = 0.0024331 k( 164) = ( -0.0577646 0.0577646 0.0577646), wk = 0.0024331 k( 165) = ( -0.0525133 0.0525133 0.0525133), wk = 0.0024331 k( 166) = ( -0.0472619 0.0472620 0.0472619), wk = 0.0024331 k( 167) = ( -0.0420106 0.0420106 0.0420106), wk = 0.0024331 k( 168) = ( -0.0367593 0.0367593 0.0367593), wk = 0.0024331 k( 169) = ( -0.0315080 0.0315080 0.0315080), wk = 0.0024331 k( 170) = ( -0.0262566 0.0262566 0.0262566), wk = 0.0024331 k( 171) = ( -0.0210053 0.0210053 0.0210053), wk = 0.0024331 k( 172) = ( -0.0157540 0.0157540 0.0157540), wk = 0.0024331 k( 173) = ( -0.0105027 0.0105026 0.0105027), wk = 0.0024331 k( 174) = ( -0.0052513 0.0052513 0.0052513), wk = 0.0024331 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 177) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0024331 k( 178) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0024331 k( 179) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0024331 k( 180) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0024331 k( 181) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0024331 k( 182) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0024331 k( 183) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0024331 k( 184) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0024331 k( 185) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0024331 k( 186) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0024331 k( 187) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0024331 k( 188) = ( 0.2068966 0.2068965 -0.2068965), wk = 0.0024331 k( 189) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0024331 k( 190) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0024331 k( 191) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0024331 k( 192) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0024331 k( 193) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0024331 k( 194) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0024331 k( 195) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0024331 k( 196) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0024331 k( 197) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0024331 k( 198) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0024331 k( 199) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0024331 k( 200) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0024331 k( 201) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0024331 k( 202) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0024331 k( 203) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0024331 k( 204) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0024331 k( 205) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 206) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 207) = ( 0.4948425 0.5051575 -0.4948425), wk = 0.0024331 k( 208) = ( 0.4896850 0.5103150 -0.4896850), wk = 0.0024331 k( 209) = ( 0.4845274 0.5154726 -0.4845274), wk = 0.0024331 k( 210) = ( 0.4793699 0.5206301 -0.4793699), wk = 0.0024331 k( 211) = ( 0.4742124 0.5257876 -0.4742124), wk = 0.0024331 k( 212) = ( 0.4690549 0.5309451 -0.4690549), wk = 0.0024331 k( 213) = ( 0.4638973 0.5361027 -0.4638973), wk = 0.0024331 k( 214) = ( 0.4587398 0.5412602 -0.4587398), wk = 0.0024331 k( 215) = ( 0.4535823 0.5464177 -0.4535823), wk = 0.0024331 k( 216) = ( 0.4484248 0.5515752 -0.4484248), wk = 0.0024331 k( 217) = ( 0.4432673 0.5567327 -0.4432673), wk = 0.0024331 k( 218) = ( 0.4381097 0.5618903 -0.4381097), wk = 0.0024331 k( 219) = ( 0.4329522 0.5670478 -0.4329522), wk = 0.0024331 k( 220) = ( 0.4277947 0.5722053 -0.4277947), wk = 0.0024331 k( 221) = ( 0.4226372 0.5773628 -0.4226372), wk = 0.0024331 k( 222) = ( 0.4174796 0.5825204 -0.4174796), wk = 0.0024331 k( 223) = ( 0.4123221 0.5876779 -0.4123221), wk = 0.0024331 k( 224) = ( 0.4071646 0.5928354 -0.4071646), wk = 0.0024331 k( 225) = ( 0.4020071 0.5979929 -0.4020071), wk = 0.0024331 k( 226) = ( 0.3968496 0.6031504 -0.3968496), wk = 0.0024331 k( 227) = ( 0.3916920 0.6083080 -0.3916920), wk = 0.0024331 k( 228) = ( 0.3865345 0.6134655 -0.3865345), wk = 0.0024331 k( 229) = ( 0.3813770 0.6186230 -0.3813770), wk = 0.0024331 k( 230) = ( 0.3762195 0.6237805 -0.3762195), wk = 0.0024331 k( 231) = ( 0.3710619 0.6289381 -0.3710620), wk = 0.0024331 k( 232) = ( 0.3659044 0.6340956 -0.3659044), wk = 0.0024331 k( 233) = ( 0.3607469 0.6392531 -0.3607469), wk = 0.0024331 k( 234) = ( 0.3555894 0.6444106 -0.3555894), wk = 0.0024331 k( 235) = ( 0.3504319 0.6495681 -0.3504319), wk = 0.0024331 k( 236) = ( 0.3452743 0.6547257 -0.3452743), wk = 0.0024331 k( 237) = ( 0.3401168 0.6598832 -0.3401168), wk = 0.0024331 k( 238) = ( 0.3349593 0.6650407 -0.3349593), wk = 0.0024331 k( 239) = ( 0.3298018 0.6701982 -0.3298018), wk = 0.0024331 k( 240) = ( 0.3246443 0.6753558 -0.3246443), wk = 0.0024331 k( 241) = ( 0.3194867 0.6805133 -0.3194867), wk = 0.0024331 k( 242) = ( 0.3143292 0.6856708 -0.3143292), wk = 0.0024331 k( 243) = ( 0.3091717 0.6908283 -0.3091717), wk = 0.0024331 k( 244) = ( 0.3040142 0.6959858 -0.3040142), wk = 0.0024331 k( 245) = ( 0.2988566 0.7011434 -0.2988566), wk = 0.0024331 k( 246) = ( 0.2936991 0.7063009 -0.2936991), wk = 0.0024331 k( 247) = ( 0.2885416 0.7114584 -0.2885416), wk = 0.0024331 k( 248) = ( 0.2833841 0.7166159 -0.2833841), wk = 0.0024331 k( 249) = ( 0.2782266 0.7217735 -0.2782266), wk = 0.0024331 k( 250) = ( 0.2730690 0.7269310 -0.2730690), wk = 0.0024331 k( 251) = ( 0.2730690 0.7269310 -0.2730690), wk = 0.0024331 k( 252) = ( 0.2560022 0.7127478 -0.2560022), wk = 0.0024331 k( 253) = ( 0.2389354 0.6985646 -0.2389354), wk = 0.0024331 k( 254) = ( 0.2218686 0.6843814 -0.2218686), wk = 0.0024331 k( 255) = ( 0.2048018 0.6701982 -0.2048018), wk = 0.0024331 k( 256) = ( 0.1877350 0.6560151 -0.1877350), wk = 0.0024331 k( 257) = ( 0.1706681 0.6418319 -0.1706681), wk = 0.0024331 k( 258) = ( 0.1536013 0.6276487 -0.1536013), wk = 0.0024331 k( 259) = ( 0.1365345 0.6134655 -0.1365345), wk = 0.0024331 k( 260) = ( 0.1194677 0.5992823 -0.1194677), wk = 0.0024331 k( 261) = ( 0.1024009 0.5850991 -0.1024009), wk = 0.0024331 k( 262) = ( 0.0853341 0.5709159 -0.0853341), wk = 0.0024331 k( 263) = ( 0.0682673 0.5567327 -0.0682673), wk = 0.0024331 k( 264) = ( 0.0512004 0.5425496 -0.0512004), wk = 0.0024331 k( 265) = ( 0.0341336 0.5283664 -0.0341336), wk = 0.0024331 k( 266) = ( 0.0170668 0.5141832 -0.0170668), wk = 0.0024331 k( 267) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024331 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024331 k( 269) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0024331 k( 270) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0024331 k( 271) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024331 k( 272) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024331 k( 273) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0024331 k( 274) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024331 k( 275) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0024331 k( 276) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024331 k( 277) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024331 k( 278) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0024331 k( 279) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0024331 k( 280) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024331 k( 281) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0024331 k( 282) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0024331 k( 283) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024331 k( 284) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024331 k( 285) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0024331 k( 286) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024331 k( 287) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0024331 k( 288) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024331 k( 289) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024331 k( 290) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0024331 k( 291) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0024331 k( 292) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024331 k( 293) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0024331 k( 294) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0024331 k( 295) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024331 k( 296) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024331 k( 297) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0024331 k( 298) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024331 k( 299) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0024331 k( 300) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024331 k( 301) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024331 k( 302) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0024331 k( 303) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0024331 k( 304) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024331 k( 305) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0024331 k( 306) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0024331 k( 307) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024331 k( 308) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024331 k( 309) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0024331 k( 310) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024331 k( 311) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0024331 k( 312) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024331 k( 313) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024331 k( 314) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0024331 k( 315) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0024331 k( 316) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 317) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 318) = ( 0.2656250 0.2656250 0.2314914), wk = 0.0024331 k( 319) = ( 0.2812500 0.2812500 0.2129827), wk = 0.0024331 k( 320) = ( 0.2968750 0.2968750 0.1944741), wk = 0.0024331 k( 321) = ( 0.3125000 0.3125000 0.1759655), wk = 0.0024331 k( 322) = ( 0.3281250 0.3281250 0.1574569), wk = 0.0024331 k( 323) = ( 0.3437500 0.3437500 0.1389482), wk = 0.0024331 k( 324) = ( 0.3593750 0.3593750 0.1204396), wk = 0.0024331 k( 325) = ( 0.3750000 0.3750000 0.1019310), wk = 0.0024331 k( 326) = ( 0.3906250 0.3906250 0.0834223), wk = 0.0024331 k( 327) = ( 0.4062500 0.4062500 0.0649137), wk = 0.0024331 k( 328) = ( 0.4218750 0.4218750 0.0464051), wk = 0.0024331 k( 329) = ( 0.4375000 0.4375000 0.0278965), wk = 0.0024331 k( 330) = ( 0.4531250 0.4531250 0.0093878), wk = 0.0024331 k( 331) = ( 0.4687500 0.4687500 -0.0091208), wk = 0.0024331 k( 332) = ( 0.4843750 0.4843750 -0.0276294), wk = 0.0024331 k( 333) = ( 0.5000000 0.5000000 -0.0461381), wk = 0.0024331 k( 334) = ( 0.5000000 0.5000000 -0.0461381), wk = 0.0024331 k( 335) = ( 0.5000000 0.5000000 -0.0535784), wk = 0.0024331 k( 336) = ( 0.5000000 0.5000000 -0.0610188), wk = 0.0024331 k( 337) = ( 0.5000000 0.5000000 -0.0684591), wk = 0.0024331 k( 338) = ( 0.5000000 0.5000000 -0.0758995), wk = 0.0024331 k( 339) = ( 0.5000000 0.5000000 -0.0833399), wk = 0.0024331 k( 340) = ( 0.5000000 0.5000000 -0.0907802), wk = 0.0024331 k( 341) = ( 0.5000000 0.5000000 -0.0982206), wk = 0.0024331 k( 342) = ( 0.5000000 0.5000000 -0.1056609), wk = 0.0024331 k( 343) = ( 0.5000000 0.5000000 -0.1131013), wk = 0.0024331 k( 344) = ( 0.5000000 0.5000000 -0.1205417), wk = 0.0024331 k( 345) = ( 0.5000000 0.5000000 -0.1279820), wk = 0.0024331 k( 346) = ( 0.5000000 0.5000000 -0.1354224), wk = 0.0024331 k( 347) = ( 0.5000000 0.5000000 -0.1428627), wk = 0.0024331 k( 348) = ( 0.5000000 0.5000000 -0.1503031), wk = 0.0024331 k( 349) = ( 0.5000000 0.5000000 -0.1577435), wk = 0.0024331 k( 350) = ( 0.5000000 0.5000000 -0.1651838), wk = 0.0024331 k( 351) = ( 0.5000000 0.5000000 -0.1726242), wk = 0.0024331 k( 352) = ( 0.5000000 0.5000000 -0.1800645), wk = 0.0024331 k( 353) = ( 0.5000000 0.5000000 -0.1875049), wk = 0.0024331 k( 354) = ( 0.5000000 0.5000000 -0.1949452), wk = 0.0024331 k( 355) = ( 0.5000000 0.5000000 -0.2023856), wk = 0.0024331 k( 356) = ( 0.5000000 0.5000000 -0.2098260), wk = 0.0024331 k( 357) = ( 0.5000000 0.5000000 -0.2172663), wk = 0.0024331 k( 358) = ( 0.5000000 0.5000000 -0.2247067), wk = 0.0024331 k( 359) = ( 0.5000000 0.5000000 -0.2321470), wk = 0.0024331 k( 360) = ( 0.5000000 0.5000000 -0.2395874), wk = 0.0024331 k( 361) = ( 0.5000000 0.5000000 -0.2470278), wk = 0.0024331 k( 362) = ( 0.5000000 0.5000000 -0.2544681), wk = 0.0024331 k( 363) = ( 0.5000000 0.5000000 -0.2619085), wk = 0.0024331 k( 364) = ( 0.5000000 0.5000000 -0.2693488), wk = 0.0024331 k( 365) = ( 0.5000000 0.5000000 -0.2767892), wk = 0.0024331 k( 366) = ( 0.5000000 0.5000000 -0.2842296), wk = 0.0024331 k( 367) = ( 0.5000000 0.5000000 -0.2916699), wk = 0.0024331 k( 368) = ( 0.5000000 0.5000000 -0.2991103), wk = 0.0024331 k( 369) = ( 0.5000000 0.5000000 -0.3065506), wk = 0.0024331 k( 370) = ( 0.5000000 0.5000000 -0.3139910), wk = 0.0024331 k( 371) = ( 0.5000000 0.5000000 -0.3214314), wk = 0.0024331 k( 372) = ( 0.5000000 0.5000000 -0.3288717), wk = 0.0024331 k( 373) = ( 0.5000000 0.5000000 -0.3363121), wk = 0.0024331 k( 374) = ( 0.5000000 0.5000000 -0.3437524), wk = 0.0024331 k( 375) = ( 0.5000000 0.5000000 -0.3511928), wk = 0.0024331 k( 376) = ( 0.5000000 0.5000000 -0.3586332), wk = 0.0024331 k( 377) = ( 0.5000000 0.5000000 -0.3660735), wk = 0.0024331 k( 378) = ( 0.5000000 0.5000000 -0.3735139), wk = 0.0024331 k( 379) = ( 0.5000000 0.5000000 -0.3809542), wk = 0.0024331 k( 380) = ( 0.5000000 0.5000000 -0.3883946), wk = 0.0024331 k( 381) = ( 0.5000000 0.5000000 -0.3958350), wk = 0.0024331 k( 382) = ( 0.5000000 0.5000000 -0.4032753), wk = 0.0024331 k( 383) = ( 0.5000000 0.5000000 -0.4107157), wk = 0.0024331 k( 384) = ( 0.5000000 0.5000000 -0.4181560), wk = 0.0024331 k( 385) = ( 0.5000000 0.5000000 -0.4255964), wk = 0.0024331 k( 386) = ( 0.5000000 0.5000000 -0.4330368), wk = 0.0024331 k( 387) = ( 0.5000000 0.5000000 -0.4404771), wk = 0.0024331 k( 388) = ( 0.5000000 0.5000000 -0.4479175), wk = 0.0024331 k( 389) = ( 0.5000000 0.5000000 -0.4553578), wk = 0.0024331 k( 390) = ( 0.5000000 0.5000000 -0.4627982), wk = 0.0024331 k( 391) = ( 0.5000000 0.5000000 -0.4702386), wk = 0.0024331 k( 392) = ( 0.5000000 0.5000000 -0.4776789), wk = 0.0024331 k( 393) = ( 0.5000000 0.5000000 -0.4851193), wk = 0.0024331 k( 394) = ( 0.5000000 0.5000000 -0.4925596), wk = 0.0024331 k( 395) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 396) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 397) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0024331 k( 398) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0024331 k( 399) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0024331 k( 400) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0024331 k( 401) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0024331 k( 402) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0024331 k( 403) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0024331 k( 404) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0024331 k( 405) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0024331 k( 406) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0024331 k( 407) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0024331 k( 408) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0024331 k( 409) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0024331 k( 410) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0024331 k( 411) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 Dense grid: 86481 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 24671 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 170, 34) NL pseudopotentials 0.09 Mb ( 85, 66) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2404) G-vector shells 0.01 Mb ( 1102) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 170, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 66, 2, 34) The potential is recalculated from file : ./Zr2Pd.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.2 secs Computing kpt #: 24 total cpu time spent up to now is 13.7 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.5 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.1 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.0 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 19.8 secs Computing kpt #: 38 total cpu time spent up to now is 20.2 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.0 secs Computing kpt #: 41 total cpu time spent up to now is 21.4 secs Computing kpt #: 42 total cpu time spent up to now is 21.8 secs Computing kpt #: 43 total cpu time spent up to now is 22.2 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.0 secs Computing kpt #: 46 total cpu time spent up to now is 23.3 secs Computing kpt #: 47 total cpu time spent up to now is 23.7 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.1 secs Computing kpt #: 53 total cpu time spent up to now is 26.5 secs Computing kpt #: 54 total cpu time spent up to now is 26.9 secs Computing kpt #: 55 total cpu time spent up to now is 27.3 secs Computing kpt #: 56 total cpu time spent up to now is 27.8 secs Computing kpt #: 57 total cpu time spent up to now is 28.2 secs Computing kpt #: 58 total cpu time spent up to now is 28.6 secs Computing kpt #: 59 total cpu time spent up to now is 29.0 secs Computing kpt #: 60 total cpu time spent up to now is 29.5 secs Computing kpt #: 61 total cpu time spent up to now is 30.0 secs Computing kpt #: 62 total cpu time spent up to now is 30.5 secs Computing kpt #: 63 total cpu time spent up to now is 31.0 secs Computing kpt #: 64 total cpu time spent up to now is 31.5 secs Computing kpt #: 65 total cpu time spent up to now is 32.0 secs Computing kpt #: 66 total cpu time spent up to now is 32.4 secs Computing kpt #: 67 total cpu time spent up to now is 32.9 secs Computing kpt #: 68 total cpu time spent up to now is 33.4 secs Computing kpt #: 69 total cpu time spent up to now is 33.9 secs Computing kpt #: 70 total cpu time spent up to now is 34.4 secs Computing kpt #: 71 total cpu time spent up to now is 34.9 secs Computing kpt #: 72 total cpu time spent up to now is 35.4 secs Computing kpt #: 73 total cpu time spent up to now is 35.9 secs Computing kpt #: 74 total cpu time spent up to now is 36.3 secs Computing kpt #: 75 total cpu time spent up to now is 36.8 secs Computing kpt #: 76 total cpu time spent up to now is 37.4 secs Computing kpt #: 77 total cpu time spent up to now is 38.0 secs Computing kpt #: 78 total cpu time spent up to now is 38.4 secs Computing kpt #: 79 total cpu time spent up to now is 38.9 secs Computing kpt #: 80 total cpu time spent up to now is 39.4 secs Computing kpt #: 81 total cpu time spent up to now is 39.8 secs Computing kpt #: 82 total cpu time spent up to now is 40.3 secs Computing kpt #: 83 total cpu time spent up to now is 40.8 secs Computing kpt #: 84 total cpu time spent up to now is 41.2 secs Computing kpt #: 85 total cpu time spent up to now is 41.7 secs Computing kpt #: 86 total cpu time spent up to now is 42.1 secs Computing kpt #: 87 total cpu time spent up to now is 42.5 secs Computing kpt #: 88 total cpu time spent up to now is 42.9 secs Computing kpt #: 89 total cpu time spent up to now is 43.3 secs Computing kpt #: 90 total cpu time spent up to now is 43.7 secs Computing kpt #: 91 total cpu time spent up to now is 44.0 secs Computing kpt #: 92 total cpu time spent up to now is 44.4 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.2 secs Computing kpt #: 95 total cpu time spent up to now is 45.7 secs Computing kpt #: 96 total cpu time spent up to now is 46.0 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.2 secs Computing kpt #: 100 total cpu time spent up to now is 47.6 secs Computing kpt #: 101 total cpu time spent up to now is 48.0 secs Computing kpt #: 102 total cpu time spent up to now is 48.4 secs Computing kpt #: 103 total cpu time spent up to now is 48.7 secs Computing kpt #: 104 total cpu time spent up to now is 49.1 secs Computing kpt #: 105 total cpu time spent up to now is 49.5 secs Computing kpt #: 106 total cpu time spent up to now is 49.9 secs Computing kpt #: 107 total cpu time spent up to now is 50.3 secs Computing kpt #: 108 total cpu time spent up to now is 50.7 secs Computing kpt #: 109 total cpu time spent up to now is 51.1 secs Computing kpt #: 110 total cpu time spent up to now is 51.5 secs Computing kpt #: 111 total cpu time spent up to now is 51.9 secs Computing kpt #: 112 total cpu time spent up to now is 52.3 secs Computing kpt #: 113 total cpu time spent up to now is 52.8 secs Computing kpt #: 114 total cpu time spent up to now is 53.3 secs Computing kpt #: 115 total cpu time spent up to now is 53.8 secs Computing kpt #: 116 total cpu time spent up to now is 54.4 secs Computing kpt #: 117 total cpu time spent up to now is 54.9 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 56.1 secs Computing kpt #: 120 total cpu time spent up to now is 56.8 secs Computing kpt #: 121 total cpu time spent up to now is 57.5 secs Computing kpt #: 122 total cpu time spent up to now is 58.2 secs Computing kpt #: 123 total cpu time spent up to now is 58.9 secs Computing kpt #: 124 total cpu time spent up to now is 59.6 secs Computing kpt #: 125 total cpu time spent up to now is 60.4 secs Computing kpt #: 126 total cpu time spent up to now is 61.1 secs Computing kpt #: 127 total cpu time spent up to now is 61.8 secs Computing kpt #: 128 total cpu time spent up to now is 62.5 secs Computing kpt #: 129 total cpu time spent up to now is 63.3 secs Computing kpt #: 130 total cpu time spent up to now is 64.0 secs Computing kpt #: 131 total cpu time spent up to now is 64.7 secs Computing kpt #: 132 total cpu time spent up to now is 65.3 secs Computing kpt #: 133 total cpu time spent up to now is 66.0 secs Computing kpt #: 134 total cpu time spent up to now is 66.7 secs Computing kpt #: 135 total cpu time spent up to now is 67.3 secs Computing kpt #: 136 total cpu time spent up to now is 67.9 secs Computing kpt #: 137 total cpu time spent up to now is 68.5 secs Computing kpt #: 138 total cpu time spent up to now is 69.1 secs Computing kpt #: 139 total cpu time spent up to now is 69.6 secs Computing kpt #: 140 total cpu time spent up to now is 70.2 secs Computing kpt #: 141 total cpu time spent up to now is 70.7 secs Computing kpt #: 142 total cpu time spent up to now is 71.1 secs Computing kpt #: 143 total cpu time spent up to now is 71.6 secs Computing kpt #: 144 total cpu time spent up to now is 72.1 secs Computing kpt #: 145 total cpu time spent up to now is 72.6 secs Computing kpt #: 146 total cpu time spent up to now is 73.0 secs Computing kpt #: 147 total cpu time spent up to now is 73.5 secs Computing kpt #: 148 total cpu time spent up to now is 73.9 secs Computing kpt #: 149 total cpu time spent up to now is 74.4 secs Computing kpt #: 150 total cpu time spent up to now is 75.0 secs Computing kpt #: 151 total cpu time spent up to now is 75.5 secs Computing kpt #: 152 total cpu time spent up to now is 76.1 secs Computing kpt #: 153 total cpu time spent up to now is 76.7 secs Computing kpt #: 154 total cpu time spent up to now is 77.4 secs Computing kpt #: 155 total cpu time spent up to now is 78.3 secs Computing kpt #: 156 total cpu time spent up to now is 79.0 secs Computing kpt #: 157 total cpu time spent up to now is 79.6 secs Computing kpt #: 158 total cpu time spent up to now is 80.1 secs Computing kpt #: 159 total cpu time spent up to now is 80.7 secs Computing kpt #: 160 total cpu time spent up to now is 81.2 secs Computing kpt #: 161 total cpu time spent up to now is 81.7 secs Computing kpt #: 162 total cpu time spent up to now is 82.3 secs Computing kpt #: 163 total cpu time spent up to now is 82.8 secs Computing kpt #: 164 total cpu time spent up to now is 83.2 secs Computing kpt #: 165 total cpu time spent up to now is 83.7 secs Computing kpt #: 166 total cpu time spent up to now is 84.2 secs Computing kpt #: 167 total cpu time spent up to now is 84.8 secs Computing kpt #: 168 total cpu time spent up to now is 85.3 secs Computing kpt #: 169 total cpu time spent up to now is 85.8 secs Computing kpt #: 170 total cpu time spent up to now is 86.3 secs Computing kpt #: 171 total cpu time spent up to now is 86.8 secs Computing kpt #: 172 total cpu time spent up to now is 87.5 secs Computing kpt #: 173 total cpu time spent up to now is 88.1 secs Computing kpt #: 174 total cpu time spent up to now is 88.8 secs Computing kpt #: 175 total cpu time spent up to now is 89.3 secs Computing kpt #: 176 total cpu time spent up to now is 89.8 secs Computing kpt #: 177 total cpu time spent up to now is 90.8 secs Computing kpt #: 178 total cpu time spent up to now is 91.6 secs Computing kpt #: 179 total cpu time spent up to now is 92.3 secs Computing kpt #: 180 total cpu time spent up to now is 93.2 secs Computing kpt #: 181 total cpu time spent up to now is 94.1 secs Computing kpt #: 182 total cpu time spent up to now is 94.9 secs Computing kpt #: 183 total cpu time spent up to now is 95.4 secs Computing kpt #: 184 total cpu time spent up to now is 96.0 secs Computing kpt #: 185 total cpu time spent up to now is 96.4 secs Computing kpt #: 186 total cpu time spent up to now is 96.8 secs Computing kpt #: 187 total cpu time spent up to now is 97.3 secs Computing kpt #: 188 total cpu time spent up to now is 98.0 secs Computing kpt #: 189 total cpu time spent up to now is 98.5 secs Computing kpt #: 190 total cpu time spent up to now is 99.0 secs Computing kpt #: 191 total cpu time spent up to now is 99.4 secs Computing kpt #: 192 total cpu time spent up to now is 99.8 secs Computing kpt #: 193 total cpu time spent up to now is 100.2 secs Computing kpt #: 194 total cpu time spent up to now is 100.6 secs Computing kpt #: 195 total cpu time spent up to now is 101.0 secs Computing kpt #: 196 total cpu time spent up to now is 101.4 secs Computing kpt #: 197 total cpu time spent up to now is 101.8 secs Computing kpt #: 198 total cpu time spent up to now is 102.2 secs Computing kpt #: 199 total cpu time spent up to now is 102.5 secs Computing kpt #: 200 total cpu time spent up to now is 102.9 secs Computing kpt #: 201 total cpu time spent up to now is 103.3 secs Computing kpt #: 202 total cpu time spent up to now is 103.6 secs Computing kpt #: 203 total cpu time spent up to now is 104.0 secs Computing kpt #: 204 total cpu time spent up to now is 104.4 secs Computing kpt #: 205 total cpu time spent up to now is 104.7 secs Computing kpt #: 206 total cpu time spent up to now is 105.1 secs Computing kpt #: 207 total cpu time spent up to now is 105.4 secs Computing kpt #: 208 total cpu time spent up to now is 105.8 secs Computing kpt #: 209 total cpu time spent up to now is 106.2 secs Computing kpt #: 210 total cpu time spent up to now is 106.5 secs Computing kpt #: 211 total cpu time spent up to now is 106.9 secs Computing kpt #: 212 total cpu time spent up to now is 107.3 secs Computing kpt #: 213 total cpu time spent up to now is 107.6 secs Computing kpt #: 214 total cpu time spent up to now is 108.0 secs Computing kpt #: 215 total cpu time spent up to now is 108.4 secs Computing kpt #: 216 total cpu time spent up to now is 108.8 secs Computing kpt #: 217 total cpu time spent up to now is 109.2 secs Computing kpt #: 218 total cpu time spent up to now is 109.6 secs Computing kpt #: 219 total cpu time spent up to now is 110.1 secs Computing kpt #: 220 total cpu time spent up to now is 110.6 secs Computing kpt #: 221 total cpu time spent up to now is 111.0 secs Computing kpt #: 222 total cpu time spent up to now is 111.5 secs Computing kpt #: 223 total cpu time spent up to now is 112.1 secs Computing kpt #: 224 total cpu time spent up to now is 112.6 secs Computing kpt #: 225 total cpu time spent up to now is 113.2 secs Computing kpt #: 226 total cpu time spent up to now is 113.8 secs Computing kpt #: 227 total cpu time spent up to now is 114.3 secs Computing kpt #: 228 total cpu time spent up to now is 114.8 secs Computing kpt #: 229 total cpu time spent up to now is 115.2 secs Computing kpt #: 230 total cpu time spent up to now is 115.6 secs Computing kpt #: 231 total cpu time spent up to now is 116.0 secs Computing kpt #: 232 total cpu time spent up to now is 116.5 secs Computing kpt #: 233 total cpu time spent up to now is 116.9 secs Computing kpt #: 234 total cpu time spent up to now is 117.3 secs Computing kpt #: 235 total cpu time spent up to now is 117.7 secs Computing kpt #: 236 total cpu time spent up to now is 118.1 secs Computing kpt #: 237 total cpu time spent up to now is 118.4 secs Computing kpt #: 238 total cpu time spent up to now is 118.8 secs Computing kpt #: 239 total cpu time spent up to now is 119.2 secs Computing kpt #: 240 total cpu time spent up to now is 119.6 secs Computing kpt #: 241 total cpu time spent up to now is 120.1 secs Computing kpt #: 242 total cpu time spent up to now is 120.6 secs Computing kpt #: 243 total cpu time spent up to now is 121.4 secs Computing kpt #: 244 total cpu time spent up to now is 121.9 secs Computing kpt #: 245 total cpu time spent up to now is 122.4 secs Computing kpt #: 246 total cpu time spent up to now is 122.9 secs Computing kpt #: 247 total cpu time spent up to now is 123.4 secs Computing kpt #: 248 total cpu time spent up to now is 124.1 secs Computing kpt #: 249 total cpu time spent up to now is 125.1 secs Computing kpt #: 250 total cpu time spent up to now is 125.9 secs Computing kpt #: 251 total cpu time spent up to now is 126.7 secs Computing kpt #: 252 total cpu time spent up to now is 127.4 secs Computing kpt #: 253 total cpu time spent up to now is 128.0 secs Computing kpt #: 254 total cpu time spent up to now is 128.7 secs Computing kpt #: 255 total cpu time spent up to now is 129.4 secs Computing kpt #: 256 total cpu time spent up to now is 130.2 secs Computing kpt #: 257 total cpu time spent up to now is 130.9 secs Computing kpt #: 258 total cpu time spent up to now is 131.5 secs Computing kpt #: 259 total cpu time spent up to now is 132.2 secs Computing kpt #: 260 total cpu time spent up to now is 132.8 secs Computing kpt #: 261 total cpu time spent up to now is 133.5 secs Computing kpt #: 262 total cpu time spent up to now is 134.1 secs Computing kpt #: 263 total cpu time spent up to now is 134.7 secs Computing kpt #: 264 total cpu time spent up to now is 135.3 secs Computing kpt #: 265 total cpu time spent up to now is 135.9 secs Computing kpt #: 266 total cpu time spent up to now is 136.8 secs Computing kpt #: 267 total cpu time spent up to now is 137.4 secs Computing kpt #: 268 total cpu time spent up to now is 137.9 secs Computing kpt #: 269 total cpu time spent up to now is 138.4 secs Computing kpt #: 270 total cpu time spent up to now is 138.9 secs Computing kpt #: 271 total cpu time spent up to now is 139.5 secs Computing kpt #: 272 total cpu time spent up to now is 139.9 secs Computing kpt #: 273 total cpu time spent up to now is 140.5 secs Computing kpt #: 274 total cpu time spent up to now is 140.9 secs Computing kpt #: 275 total cpu time spent up to now is 141.5 secs Computing kpt #: 276 total cpu time spent up to now is 142.0 secs Computing kpt #: 277 total cpu time spent up to now is 142.5 secs Computing kpt #: 278 total cpu time spent up to now is 142.9 secs Computing kpt #: 279 total cpu time spent up to now is 143.4 secs Computing kpt #: 280 total cpu time spent up to now is 143.8 secs Computing kpt #: 281 total cpu time spent up to now is 144.2 secs Computing kpt #: 282 total cpu time spent up to now is 144.6 secs Computing kpt #: 283 total cpu time spent up to now is 145.0 secs Computing kpt #: 284 total cpu time spent up to now is 145.4 secs Computing kpt #: 285 total cpu time spent up to now is 145.8 secs Computing kpt #: 286 total cpu time spent up to now is 146.2 secs Computing kpt #: 287 total cpu time spent up to now is 146.6 secs Computing kpt #: 288 total cpu time spent up to now is 147.0 secs Computing kpt #: 289 total cpu time spent up to now is 147.4 secs Computing kpt #: 290 total cpu time spent up to now is 147.8 secs Computing kpt #: 291 total cpu time spent up to now is 148.1 secs Computing kpt #: 292 total cpu time spent up to now is 148.5 secs Computing kpt #: 293 total cpu time spent up to now is 148.9 secs Computing kpt #: 294 total cpu time spent up to now is 149.3 secs Computing kpt #: 295 total cpu time spent up to now is 149.7 secs Computing kpt #: 296 total cpu time spent up to now is 150.1 secs Computing kpt #: 297 total cpu time spent up to now is 150.4 secs Computing kpt #: 298 total cpu time spent up to now is 150.8 secs Computing kpt #: 299 total cpu time spent up to now is 151.2 secs Computing kpt #: 300 total cpu time spent up to now is 151.9 secs Computing kpt #: 301 total cpu time spent up to now is 152.3 secs Computing kpt #: 302 total cpu time spent up to now is 152.6 secs Computing kpt #: 303 total cpu time spent up to now is 153.0 secs Computing kpt #: 304 total cpu time spent up to now is 153.4 secs Computing kpt #: 305 total cpu time spent up to now is 153.8 secs Computing kpt #: 306 total cpu time spent up to now is 154.2 secs Computing kpt #: 307 total cpu time spent up to now is 154.6 secs Computing kpt #: 308 total cpu time spent up to now is 155.0 secs Computing kpt #: 309 total cpu time spent up to now is 155.4 secs Computing kpt #: 310 total cpu time spent up to now is 155.8 secs Computing kpt #: 311 total cpu time spent up to now is 156.2 secs Computing kpt #: 312 total cpu time spent up to now is 156.5 secs Computing kpt #: 313 total cpu time spent up to now is 156.9 secs Computing kpt #: 314 total cpu time spent up to now is 157.3 secs Computing kpt #: 315 total cpu time spent up to now is 157.7 secs Computing kpt #: 316 total cpu time spent up to now is 158.1 secs Computing kpt #: 317 total cpu time spent up to now is 158.5 secs Computing kpt #: 318 total cpu time spent up to now is 158.9 secs Computing kpt #: 319 total cpu time spent up to now is 159.3 secs Computing kpt #: 320 total cpu time spent up to now is 159.7 secs Computing kpt #: 321 total cpu time spent up to now is 160.1 secs Computing kpt #: 322 total cpu time spent up to now is 160.4 secs Computing kpt #: 323 total cpu time spent up to now is 160.9 secs Computing kpt #: 324 total cpu time spent up to now is 161.3 secs Computing kpt #: 325 total cpu time spent up to now is 161.7 secs Computing kpt #: 326 total cpu time spent up to now is 162.1 secs Computing kpt #: 327 total cpu time spent up to now is 162.5 secs Computing kpt #: 328 total cpu time spent up to now is 162.9 secs Computing kpt #: 329 total cpu time spent up to now is 163.4 secs Computing kpt #: 330 total cpu time spent up to now is 164.0 secs Computing kpt #: 331 total cpu time spent up to now is 164.5 secs Computing kpt #: 332 total cpu time spent up to now is 164.9 secs Computing kpt #: 333 total cpu time spent up to now is 165.4 secs Computing kpt #: 334 total cpu time spent up to now is 165.8 secs Computing kpt #: 335 total cpu time spent up to now is 166.2 secs Computing kpt #: 336 total cpu time spent up to now is 166.6 secs Computing kpt #: 337 total cpu time spent up to now is 167.1 secs Computing kpt #: 338 total cpu time spent up to now is 167.5 secs Computing kpt #: 339 total cpu time spent up to now is 167.9 secs Computing kpt #: 340 total cpu time spent up to now is 168.3 secs Computing kpt #: 341 total cpu time spent up to now is 168.7 secs Computing kpt #: 342 total cpu time spent up to now is 169.1 secs Computing kpt #: 343 total cpu time spent up to now is 169.5 secs Computing kpt #: 344 total cpu time spent up to now is 169.9 secs Computing kpt #: 345 total cpu time spent up to now is 170.3 secs Computing kpt #: 346 total cpu time spent up to now is 170.7 secs Computing kpt #: 347 total cpu time spent up to now is 171.1 secs Computing kpt #: 348 total cpu time spent up to now is 171.5 secs Computing kpt #: 349 total cpu time spent up to now is 171.9 secs Computing kpt #: 350 total cpu time spent up to now is 172.3 secs Computing kpt #: 351 total cpu time spent up to now is 172.7 secs Computing kpt #: 352 total cpu time spent up to now is 173.1 secs Computing kpt #: 353 total cpu time spent up to now is 173.5 secs Computing kpt #: 354 total cpu time spent up to now is 173.9 secs Computing kpt #: 355 total cpu time spent up to now is 174.3 secs Computing kpt #: 356 total cpu time spent up to now is 174.7 secs Computing kpt #: 357 total cpu time spent up to now is 175.1 secs Computing kpt #: 358 total cpu time spent up to now is 175.5 secs Computing kpt #: 359 total cpu time spent up to now is 175.9 secs Computing kpt #: 360 total cpu time spent up to now is 176.2 secs Computing kpt #: 361 total cpu time spent up to now is 176.6 secs Computing kpt #: 362 total cpu time spent up to now is 177.0 secs Computing kpt #: 363 total cpu time spent up to now is 177.4 secs Computing kpt #: 364 total cpu time spent up to now is 177.7 secs Computing kpt #: 365 total cpu time spent up to now is 178.1 secs Computing kpt #: 366 total cpu time spent up to now is 178.5 secs Computing kpt #: 367 total cpu time spent up to now is 178.9 secs Computing kpt #: 368 total cpu time spent up to now is 179.3 secs Computing kpt #: 369 total cpu time spent up to now is 179.7 secs Computing kpt #: 370 total cpu time spent up to now is 180.1 secs Computing kpt #: 371 total cpu time spent up to now is 180.5 secs Computing kpt #: 372 total cpu time spent up to now is 180.9 secs Computing kpt #: 373 total cpu time spent up to now is 181.3 secs Computing kpt #: 374 total cpu time spent up to now is 181.7 secs Computing kpt #: 375 total cpu time spent up to now is 182.1 secs Computing kpt #: 376 total cpu time spent up to now is 182.5 secs Computing kpt #: 377 total cpu time spent up to now is 182.9 secs Computing kpt #: 378 total cpu time spent up to now is 183.3 secs Computing kpt #: 379 total cpu time spent up to now is 183.8 secs Computing kpt #: 380 total cpu time spent up to now is 184.2 secs Computing kpt #: 381 total cpu time spent up to now is 184.7 secs Computing kpt #: 382 total cpu time spent up to now is 185.1 secs Computing kpt #: 383 total cpu time spent up to now is 185.6 secs Computing kpt #: 384 total cpu time spent up to now is 186.1 secs Computing kpt #: 385 total cpu time spent up to now is 186.6 secs Computing kpt #: 386 total cpu time spent up to now is 187.0 secs Computing kpt #: 387 total cpu time spent up to now is 187.4 secs Computing kpt #: 388 total cpu time spent up to now is 187.8 secs Computing kpt #: 389 total cpu time spent up to now is 188.2 secs Computing kpt #: 390 total cpu time spent up to now is 188.6 secs Computing kpt #: 391 total cpu time spent up to now is 189.0 secs Computing kpt #: 392 total cpu time spent up to now is 189.3 secs Computing kpt #: 393 total cpu time spent up to now is 189.7 secs Computing kpt #: 394 total cpu time spent up to now is 190.1 secs Computing kpt #: 395 total cpu time spent up to now is 190.4 secs Computing kpt #: 396 total cpu time spent up to now is 190.9 secs Computing kpt #: 397 total cpu time spent up to now is 191.4 secs Computing kpt #: 398 total cpu time spent up to now is 192.0 secs Computing kpt #: 399 total cpu time spent up to now is 192.5 secs Computing kpt #: 400 total cpu time spent up to now is 192.9 secs Computing kpt #: 401 total cpu time spent up to now is 193.3 secs Computing kpt #: 402 total cpu time spent up to now is 193.7 secs Computing kpt #: 403 total cpu time spent up to now is 194.1 secs Computing kpt #: 404 total cpu time spent up to now is 194.5 secs Computing kpt #: 405 total cpu time spent up to now is 194.9 secs Computing kpt #: 406 total cpu time spent up to now is 195.4 secs Computing kpt #: 407 total cpu time spent up to now is 195.8 secs Computing kpt #: 408 total cpu time spent up to now is 196.2 secs Computing kpt #: 409 total cpu time spent up to now is 196.6 secs Computing kpt #: 410 total cpu time spent up to now is 197.0 secs Computing kpt #: 411 total cpu time spent up to now is 197.4 secs ethr = 3.85E-08, avg # of iterations = 23.3 total cpu time spent up to now is 197.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -73.2594 -73.2594 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.1986 5.1986 7.1991 7.1991 7.4054 7.4054 8.5242 8.5242 8.6361 8.6361 8.9244 8.9244 8.9322 8.9322 10.0555 10.0555 12.5693 12.5693 12.8914 12.8914 13.6005 13.6005 13.6908 13.6908 14.2222 14.2222 k = 0.0000 0.0000 0.0186 ( 3129 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2006 5.2006 7.1999 7.1999 7.4063 7.4063 8.5225 8.5225 8.6341 8.6341 8.9175 8.9175 8.9429 8.9429 10.0573 10.0573 12.5664 12.5664 12.8915 12.8915 13.5984 13.5984 13.6885 13.6885 14.2003 14.2003 k = 0.0000 0.0000 0.0373 ( 3121 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5989 -37.5989 -37.5973 -37.5973 5.2067 5.2067 7.2019 7.2019 7.4087 7.4087 8.5176 8.5176 8.6286 8.6286 8.9097 8.9097 8.9616 8.9616 10.0628 10.0628 12.5575 12.5575 12.8917 12.8917 13.5920 13.5920 13.6821 13.6821 14.1375 14.1375 k = 0.0000 0.0000 0.0559 ( 3115 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5989 -37.5989 -37.5974 -37.5974 5.2168 5.2168 7.2054 7.2054 7.4127 7.4127 8.5095 8.5095 8.6201 8.6201 8.9025 8.9025 8.9860 8.9860 10.0718 10.0718 12.5426 12.5426 12.8919 12.8919 13.5805 13.5805 13.6726 13.6726 14.0556 14.0556 k = 0.0000 0.0000 0.0745 ( 3111 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5989 -37.5989 -37.5974 -37.5974 5.2310 5.2310 7.2101 7.2101 7.4182 7.4182 8.4987 8.4987 8.6095 8.6095 8.8950 8.8950 9.0155 9.0155 10.0844 10.0844 12.5215 12.5215 12.8922 12.8922 13.5629 13.5629 13.6616 13.6616 13.9705 13.9705 k = 0.0000 0.0000 0.0931 ( 3111 PWs) bands (ev): -73.2593 -73.2593 -42.0715 -42.0715 -37.5990 -37.5990 -37.5975 -37.5975 5.2492 5.2492 7.2162 7.2162 7.4253 7.4253 8.4857 8.4857 8.5976 8.5976 8.8866 8.8866 9.0498 9.0498 10.1002 10.1002 12.4942 12.4942 12.8926 12.8926 13.5388 13.5388 13.6504 13.6504 13.8883 13.8883 k = 0.0000 0.0000 0.1118 ( 3109 PWs) bands (ev): -73.2593 -73.2593 -42.0715 -42.0715 -37.5991 -37.5991 -37.5977 -37.5977 5.2714 5.2714 7.2237 7.2237 7.4339 7.4339 8.4710 8.4710 8.5847 8.5847 8.8771 8.8771 9.0881 9.0881 10.1193 10.1193 12.4606 12.4606 12.8929 12.8929 13.5087 13.5087 13.6392 13.6392 13.8115 13.8115 k = 0.0000 0.0000 0.1304 ( 3101 PWs) bands (ev): -73.2592 -73.2592 -42.0716 -42.0716 -37.5992 -37.5992 -37.5978 -37.5978 5.2975 5.2975 7.2325 7.2325 7.4440 7.4440 8.4551 8.4551 8.5710 8.5710 8.8665 8.8665 9.1302 9.1302 10.1412 10.1412 12.4207 12.4207 12.8933 12.8933 13.4734 13.4734 13.6274 13.6274 13.7423 13.7423 k = 0.0000 0.0000 0.1490 ( 3099 PWs) bands (ev): -73.2592 -73.2592 -42.0717 -42.0717 -37.5993 -37.5993 -37.5979 -37.5979 5.3276 5.3276 7.2427 7.2427 7.4555 7.4555 8.4384 8.4384 8.5566 8.5566 8.8544 8.8544 9.1754 9.1754 10.1659 10.1659 12.3749 12.3749 12.8935 12.8935 13.4343 13.4343 13.6125 13.6125 13.6834 13.6834 k = 0.0000 0.0000 0.1677 ( 3095 PWs) bands (ev): -73.2592 -73.2592 -42.0718 -42.0718 -37.5995 -37.5995 -37.5980 -37.5980 5.3614 5.3614 7.2542 7.2542 7.4684 7.4684 8.4214 8.4214 8.5415 8.5415 8.8410 8.8410 9.2235 9.2235 10.1932 10.1932 12.3234 12.3234 12.8936 12.8936 13.3926 13.3926 13.5873 13.5873 13.6422 13.6422 k = 0.0000 0.0000 0.1863 ( 3095 PWs) bands (ev): -73.2592 -73.2592 -42.0719 -42.0719 -37.5997 -37.5997 -37.5982 -37.5982 5.3991 5.3991 7.2669 7.2669 7.4826 7.4826 8.4041 8.4041 8.5258 8.5258 8.8262 8.8262 9.2743 9.2743 10.2227 10.2227 12.2669 12.2669 12.8935 12.8935 13.3492 13.3492 13.5491 13.5491 13.6211 13.6211 k = 0.0000 0.0000 0.2049 ( 3095 PWs) bands (ev): -73.2591 -73.2591 -42.0720 -42.0720 -37.5999 -37.5999 -37.5983 -37.5983 5.4404 5.4404 7.2810 7.2810 7.4981 7.4981 8.3868 8.3868 8.5095 8.5095 8.8101 8.8101 9.3274 9.3274 10.2542 10.2542 12.2060 12.2060 12.8931 12.8931 13.3053 13.3053 13.5092 13.5092 13.6085 13.6085 k = 0.0000 0.0000 0.2235 ( 3095 PWs) bands (ev): -73.2591 -73.2591 -42.0721 -42.0721 -37.6002 -37.6002 -37.5984 -37.5984 5.4854 5.4854 7.2965 7.2965 7.5148 7.5148 8.3696 8.3696 8.4928 8.4928 8.7925 8.7925 9.3828 9.3828 10.2875 10.2875 12.1417 12.1417 12.8923 12.8923 13.2615 13.2615 13.4730 13.4730 13.5988 13.5988 k = 0.0000 0.0000 0.2422 ( 3091 PWs) bands (ev): -73.2591 -73.2591 -42.0723 -42.0723 -37.6005 -37.6005 -37.5986 -37.5986 5.5340 5.5340 7.3132 7.3132 7.5325 7.5325 8.3527 8.3527 8.4755 8.4755 8.7737 8.7737 9.4401 9.4401 10.3224 10.3224 12.0746 12.0746 12.8910 12.8910 13.2186 13.2186 13.4414 13.4414 13.5904 13.5904 k = 0.0000 0.0000 0.2608 ( 3087 PWs) bands (ev): -73.2590 -73.2590 -42.0724 -42.0724 -37.6008 -37.6008 -37.5987 -37.5987 5.5860 5.5860 7.3312 7.3312 7.5513 7.5513 8.3360 8.3360 8.4579 8.4579 8.7537 8.7537 9.4993 9.4993 10.3585 10.3585 12.0057 12.0057 12.8892 12.8892 13.1774 13.1774 13.4143 13.4143 13.5831 13.5831 k = 0.0000 0.0000 0.2794 ( 3087 PWs) bands (ev): -73.2590 -73.2590 -42.0726 -42.0726 -37.6012 -37.6012 -37.5988 -37.5988 5.6413 5.6413 7.3504 7.3504 7.5709 7.5709 8.3195 8.3195 8.4400 8.4400 8.7324 8.7324 9.5601 9.5601 10.3958 10.3958 11.9358 11.9358 12.8867 12.8867 13.1383 13.1383 13.3915 13.3915 13.5768 13.5768 k = 0.0000 0.0000 0.2981 ( 3087 PWs) bands (ev): -73.2590 -73.2590 -42.0728 -42.0728 -37.6016 -37.6016 -37.5989 -37.5989 5.6998 5.6998 7.3709 7.3709 7.5914 7.5914 8.3034 8.3034 8.4218 8.4218 8.7099 8.7099 9.6222 9.6222 10.4338 10.4338 11.8654 11.8654 12.8834 12.8834 13.1019 13.1019 13.3723 13.3723 13.5717 13.5717 k = 0.0000 0.0000 0.3167 ( 3081 PWs) bands (ev): -73.2589 -73.2589 -42.0729 -42.0729 -37.6020 -37.6020 -37.5990 -37.5990 5.7614 5.7614 7.3926 7.3926 7.6124 7.6124 8.2877 8.2877 8.4035 8.4035 8.6865 8.6865 9.6855 9.6855 10.4725 10.4725 11.7954 11.7954 12.8792 12.8792 13.0686 13.0686 13.3566 13.3566 13.5680 13.5680 k = 0.0000 0.0000 0.3353 ( 3085 PWs) bands (ev): -73.2589 -73.2589 -42.0731 -42.0731 -37.6024 -37.6024 -37.5991 -37.5991 5.8259 5.8259 7.4154 7.4154 7.6338 7.6338 8.2723 8.2723 8.3849 8.3849 8.6620 8.6620 9.7497 9.7497 10.5115 10.5115 11.7262 11.7262 12.8740 12.8740 13.0389 13.0389 13.3438 13.3438 13.5658 13.5658 k = 0.0000 0.0000 0.3539 ( 3085 PWs) bands (ev): -73.2589 -73.2589 -42.0733 -42.0733 -37.6029 -37.6029 -37.5993 -37.5993 5.8932 5.8932 7.4395 7.4395 7.6555 7.6555 8.2573 8.2573 8.3663 8.3663 8.6366 8.6366 9.8145 9.8145 10.5507 10.5507 11.6583 11.6583 12.8678 12.8678 13.0131 13.0131 13.3337 13.3337 13.5655 13.5655 k = 0.0000 0.0000 0.3726 ( 3093 PWs) bands (ev): -73.2588 -73.2588 -42.0735 -42.0735 -37.6034 -37.6034 -37.5994 -37.5994 5.9629 5.9629 7.4646 7.4646 7.6773 7.6773 8.2427 8.2427 8.3476 8.3476 8.6106 8.6106 9.8795 9.8795 10.5898 10.5898 11.5921 11.5921 12.8602 12.8602 12.9917 12.9917 13.3260 13.3260 13.5671 13.5671 k = 0.0000 0.0000 0.3912 ( 3089 PWs) bands (ev): -73.2588 -73.2588 -42.0737 -42.0737 -37.6039 -37.6039 -37.5995 -37.5995 6.0350 6.0350 7.4908 7.4908 7.6989 7.6989 8.2288 8.2288 8.3290 8.3290 8.5840 8.5840 9.9445 9.9445 10.6285 10.6285 11.5281 11.5281 12.8514 12.8514 12.9748 12.9748 13.3204 13.3204 13.5711 13.5711 k = 0.0000 0.0000 0.4098 ( 3093 PWs) bands (ev): -73.2587 -73.2587 -42.0740 -42.0740 -37.6044 -37.6044 -37.5996 -37.5996 6.1091 6.1091 7.5180 7.5180 7.7202 7.7202 8.2156 8.2156 8.3105 8.3105 8.5570 8.5570 10.0091 10.0091 10.6668 10.6668 11.4665 11.4665 12.8411 12.8411 12.9628 12.9628 13.3166 13.3166 13.5775 13.5775 k = 0.0000 0.0000 0.4285 ( 3093 PWs) bands (ev): -73.2587 -73.2587 -42.0742 -42.0742 -37.6049 -37.6049 -37.5998 -37.5998 6.1851 6.1851 7.5461 7.5461 7.7408 7.7408 8.2032 8.2032 8.2923 8.2923 8.5298 8.5298 10.0728 10.0728 10.7043 10.7043 11.4076 11.4076 12.8293 12.8293 12.9559 12.9559 13.3144 13.3144 13.5867 13.5867 k = 0.0000 0.0000 0.4471 ( 3087 PWs) bands (ev): -73.2586 -73.2586 -42.0744 -42.0744 -37.6055 -37.6055 -37.5999 -37.5999 6.2625 6.2625 7.5751 7.5751 7.7604 7.7604 8.1919 8.1919 8.2745 8.2745 8.5026 8.5026 10.1351 10.1351 10.7409 10.7409 11.3517 11.3517 12.8159 12.8159 12.9545 12.9545 13.3134 13.3134 13.5988 13.5988 k = 0.0000 0.0000 0.4657 ( 3083 PWs) bands (ev): -73.2586 -73.2586 -42.0746 -42.0746 -37.6061 -37.6061 -37.6000 -37.6000 6.3409 6.3409 7.6047 7.6047 7.7787 7.7787 8.1818 8.1818 8.2573 8.2573 8.4755 8.4755 10.1956 10.1956 10.7763 10.7763 11.2990 11.2990 12.8007 12.8007 12.9587 12.9587 13.3131 13.3131 13.6139 13.6139 k = 0.0000 0.0000 0.4843 ( 3087 PWs) bands (ev): -73.2585 -73.2585 -42.0749 -42.0749 -37.6066 -37.6066 -37.6002 -37.6002 6.4201 6.4201 7.6349 7.6349 7.7953 7.7953 8.1731 8.1731 8.2409 8.2409 8.4489 8.4489 10.2538 10.2538 10.8105 10.8105 11.2498 11.2498 12.7838 12.7838 12.9688 12.9688 13.3123 13.3123 13.6275 13.6275 k = 0.0000 0.0000 0.5030 ( 3083 PWs) bands (ev): -73.2585 -73.2585 -42.0751 -42.0751 -37.6072 -37.6072 -37.6003 -37.6003 6.4994 6.4994 7.6654 7.6654 7.8099 7.8099 8.1662 8.1662 8.2258 8.2258 8.4228 8.4228 10.3090 10.3090 10.8432 10.8432 11.2043 11.2043 12.7649 12.7649 12.9850 12.9850 13.3093 13.3093 13.5819 13.5819 k = 0.0000 0.0000 0.5216 ( 3075 PWs) bands (ev): -73.2584 -73.2584 -42.0754 -42.0754 -37.6078 -37.6078 -37.6004 -37.6004 6.5783 6.5783 7.6960 7.6960 7.8223 7.8223 8.1611 8.1611 8.2124 8.2124 8.3977 8.3977 10.3608 10.3608 10.8744 10.8744 11.1628 11.1628 12.7440 12.7440 13.0076 13.0076 13.3008 13.3008 13.5293 13.5293 k = 0.0000 0.0000 0.5402 ( 3075 PWs) bands (ev): -73.2583 -73.2583 -42.0756 -42.0756 -37.6084 -37.6084 -37.6006 -37.6006 6.6561 6.6561 7.7261 7.7261 7.8324 7.8324 8.1576 8.1576 8.2018 8.2018 8.3735 8.3735 10.4086 10.4086 10.9038 10.9038 11.1254 11.1254 12.7210 12.7210 13.0367 13.0367 13.2812 13.2812 13.4891 13.4891 k = 0.0000 0.0000 0.5589 ( 3079 PWs) bands (ev): -73.2583 -73.2583 -42.0759 -42.0759 -37.6091 -37.6091 -37.6007 -37.6007 6.7322 6.7322 7.7551 7.7551 7.8402 7.8402 8.1550 8.1550 8.1952 8.1952 8.3507 8.3507 10.4518 10.4518 10.9313 10.9313 11.0924 11.0924 12.6960 12.6960 13.0723 13.0723 13.2463 13.2463 13.4661 13.4661 k = 0.0000 0.0000 0.5775 ( 3085 PWs) bands (ev): -73.2583 -73.2583 -42.0761 -42.0761 -37.6097 -37.6097 -37.6009 -37.6009 6.8055 6.8055 7.7819 7.7819 7.8465 7.8465 8.1528 8.1528 8.1943 8.1943 8.3293 8.3293 10.4899 10.4899 10.9566 10.9566 11.0643 11.0643 12.6688 12.6688 13.1143 13.1143 13.1980 13.1980 13.4590 13.4590 k = 0.0000 0.0000 0.5961 ( 3085 PWs) bands (ev): -73.2582 -73.2582 -42.0764 -42.0764 -37.6103 -37.6103 -37.6010 -37.6010 6.8753 6.8753 7.8040 7.8040 7.8533 7.8533 8.1512 8.1512 8.1996 8.1996 8.3097 8.3097 10.5226 10.5226 10.9790 10.9790 11.0419 11.0419 12.6395 12.6395 13.1374 13.1374 13.1668 13.1668 13.4628 13.4628 k = 0.0000 0.0000 0.6147 ( 3081 PWs) bands (ev): -73.2581 -73.2581 -42.0767 -42.0767 -37.6109 -37.6109 -37.6012 -37.6012 6.9403 6.9403 7.8175 7.8175 7.8642 7.8642 8.1516 8.1516 8.2109 8.2109 8.2921 8.2921 10.5494 10.5494 10.9947 10.9947 11.0291 11.0291 12.6080 12.6080 13.0782 13.0782 13.2204 13.2204 13.4733 13.4733 k = 0.0000 0.0000 0.6334 ( 3077 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6116 -37.6116 -37.6013 -37.6013 6.9997 6.9997 7.8212 7.8212 7.8798 7.8798 8.1553 8.1553 8.2278 8.2278 8.2767 8.2767 10.5700 10.5700 10.9946 10.9946 11.0349 11.0349 12.5744 12.5744 13.0154 13.0154 13.2820 13.2820 13.4886 13.4886 k = 0.0000 0.0000 0.6520 ( 3077 PWs) bands (ev): -73.2580 -73.2580 -42.0772 -42.0772 -37.6122 -37.6122 -37.6014 -37.6014 7.0523 7.0523 7.8188 7.8188 7.8959 7.8959 8.1628 8.1628 8.2500 8.2500 8.2645 8.2645 10.5843 10.5843 10.9881 10.9881 11.0503 11.0503 12.5386 12.5386 12.9523 12.9523 13.3493 13.3493 13.5079 13.5079 k = 0.0000 0.0000 0.6706 ( 3077 PWs) bands (ev): -73.2580 -73.2580 -42.0774 -42.0774 -37.6128 -37.6128 -37.6016 -37.6016 7.0974 7.0974 7.8130 7.8130 7.9095 7.9095 8.1737 8.1737 8.2557 8.2557 8.2787 8.2787 10.5922 10.5922 10.9840 10.9840 11.0664 11.0664 12.5008 12.5008 12.8898 12.8898 13.4204 13.4204 13.5321 13.5321 k = 0.0000 0.0000 0.6893 ( 3077 PWs) bands (ev): -73.2579 -73.2579 -42.0777 -42.0777 -37.6134 -37.6134 -37.6017 -37.6017 7.1346 7.1346 7.8050 7.8050 7.9194 7.9194 8.1843 8.1843 8.2559 8.2559 8.3120 8.3120 10.5937 10.5937 10.9839 10.9839 11.0815 11.0815 12.4609 12.4609 12.8288 12.8288 13.4893 13.4893 13.5663 13.5663 k = 0.0000 0.0000 0.7079 ( 3073 PWs) bands (ev): -73.2579 -73.2579 -42.0780 -42.0780 -37.6141 -37.6141 -37.6019 -37.6019 7.1639 7.1639 7.7956 7.7956 7.9253 7.9253 8.1885 8.1885 8.2702 8.2702 8.3509 8.3509 10.5889 10.5889 10.9878 10.9878 11.0954 11.0954 12.4190 12.4190 12.7699 12.7699 13.5409 13.5409 13.6249 13.6249 k = 0.0000 0.0000 0.7265 ( 3075 PWs) bands (ev): -73.2578 -73.2578 -42.0782 -42.0782 -37.6147 -37.6147 -37.6020 -37.6020 7.1855 7.1855 7.7851 7.7851 7.9273 7.9273 8.1852 8.1852 8.2987 8.2987 8.3948 8.3948 10.5781 10.5781 10.9956 10.9956 11.1080 11.1080 12.3751 12.3751 12.7137 12.7137 13.5755 13.5755 13.7071 13.7071 k = 0.0000 0.0000 0.7451 ( 3067 PWs) bands (ev): -73.2577 -73.2577 -42.0785 -42.0785 -37.6153 -37.6153 -37.6022 -37.6022 7.2003 7.2003 7.7740 7.7740 7.9261 7.9261 8.1777 8.1777 8.3368 8.3368 8.4435 8.4435 10.5615 10.5615 11.0067 11.0067 11.1194 11.1194 12.3295 12.3295 12.6610 12.6610 13.6048 13.6048 13.8004 13.8004 k = 0.0000 0.0000 0.7638 ( 3063 PWs) bands (ev): -73.2577 -73.2577 -42.0787 -42.0787 -37.6159 -37.6159 -37.6023 -37.6023 7.2090 7.2090 7.7625 7.7625 7.9223 7.9223 8.1682 8.1682 8.3808 8.3808 8.4966 8.4966 10.5396 10.5396 11.0204 11.0204 11.1298 11.1298 12.2821 12.2821 12.6126 12.6126 13.6330 13.6330 13.8999 13.8999 k = 0.0000 0.0000 0.7824 ( 3063 PWs) bands (ev): -73.2576 -73.2576 -42.0790 -42.0790 -37.6165 -37.6165 -37.6025 -37.6025 7.2126 7.2126 7.7510 7.7510 7.9164 7.9164 8.1573 8.1573 8.4287 8.4287 8.5534 8.5534 10.5128 10.5128 11.0357 11.0357 11.1392 11.1392 12.2330 12.2330 12.5692 12.5692 13.6611 13.6611 14.0039 14.0039 k = 0.0000 0.0000 0.8010 ( 3061 PWs) bands (ev): -73.2576 -73.2576 -42.0792 -42.0792 -37.6170 -37.6170 -37.6026 -37.6026 7.2121 7.2121 7.7395 7.7395 7.9092 7.9092 8.1454 8.1454 8.4791 8.4791 8.6135 8.6135 10.4815 10.4815 11.0517 11.0517 11.1479 11.1479 12.1823 12.1823 12.5320 12.5320 13.6893 13.6893 14.1115 14.1115 k = 0.0000 0.0000 0.8197 ( 3061 PWs) bands (ev): -73.2575 -73.2575 -42.0794 -42.0794 -37.6176 -37.6176 -37.6028 -37.6028 7.2084 7.2084 7.7283 7.7283 7.9011 7.9011 8.1326 8.1326 8.5313 8.5313 8.6759 8.6759 10.4462 10.4462 11.0669 11.0669 11.1558 11.1558 12.1300 12.1300 12.5021 12.5021 13.7178 13.7178 14.2219 14.2219 k = 0.0000 0.0000 0.8383 ( 3057 PWs) bands (ev): -73.2575 -73.2575 -42.0797 -42.0797 -37.6181 -37.6181 -37.6029 -37.6029 7.2020 7.2020 7.7176 7.7176 7.8924 7.8924 8.1190 8.1190 8.5847 8.5847 8.7400 8.7400 10.4075 10.4075 11.0802 11.0802 11.1631 11.1631 12.0763 12.0763 12.4805 12.4805 13.7463 13.7463 14.3344 14.3344 k = 0.0000 0.0000 0.8569 ( 3051 PWs) bands (ev): -73.2574 -73.2574 -42.0799 -42.0799 -37.6187 -37.6187 -37.6030 -37.6030 7.1938 7.1938 7.7073 7.7073 7.8834 7.8834 8.1047 8.1047 8.6392 8.6392 8.8049 8.8049 10.3659 10.3659 11.0902 11.0902 11.1698 11.1698 12.0213 12.0213 12.4685 12.4685 13.7748 13.7748 14.4485 14.4485 k = 0.0000 0.0000 0.8755 ( 3051 PWs) bands (ev): -73.2574 -73.2574 -42.0801 -42.0801 -37.6192 -37.6192 -37.6031 -37.6031 7.1842 7.1842 7.6975 7.6975 7.8743 7.8743 8.0899 8.0899 8.6944 8.6944 8.8702 8.8702 10.3218 10.3218 11.0961 11.0961 11.1756 11.1756 11.9650 11.9650 12.4667 12.4667 13.8031 13.8031 14.5636 14.5636 k = 0.0000 0.0000 0.8942 ( 3055 PWs) bands (ev): -73.2573 -73.2573 -42.0803 -42.0803 -37.6197 -37.6197 -37.6033 -37.6033 7.1735 7.1735 7.6883 7.6883 7.8654 7.8654 8.0747 8.0747 8.7502 8.7502 8.9351 8.9351 10.2758 10.2758 11.0971 11.0971 11.1803 11.1803 11.9076 11.9076 12.4760 12.4760 13.8311 13.8311 14.6790 14.6790 k = 0.0000 0.0000 0.9128 ( 3063 PWs) bands (ev): -73.2573 -73.2573 -42.0805 -42.0805 -37.6202 -37.6202 -37.6034 -37.6034 7.1622 7.1622 7.6796 7.6796 7.8568 7.8568 8.0593 8.0593 8.8065 8.8065 8.9992 8.9992 10.2284 10.2284 11.0927 11.0927 11.1840 11.1840 11.8493 11.8493 12.4963 12.4963 13.8586 13.8586 14.7940 14.7940 k = 0.0000 0.0000 0.9314 ( 3069 PWs) bands (ev): -73.2573 -73.2573 -42.0807 -42.0807 -37.6207 -37.6207 -37.6035 -37.6035 7.1506 7.1506 7.6715 7.6715 7.8487 7.8487 8.0438 8.0438 8.8632 8.8632 9.0623 9.0623 10.1801 10.1801 11.0827 11.0827 11.1868 11.1868 11.7902 11.7902 12.5274 12.5274 13.8854 13.8854 14.9082 14.9082 k = 0.0000 0.0000 0.9501 ( 3069 PWs) bands (ev): -73.2572 -73.2572 -42.0809 -42.0809 -37.6211 -37.6211 -37.6036 -37.6036 7.1389 7.1389 7.6639 7.6639 7.8412 7.8412 8.0284 8.0284 8.9202 8.9202 9.1240 9.1240 10.1312 10.1312 11.0670 11.0670 11.1890 11.1890 11.7305 11.7305 12.5684 12.5684 13.9113 13.9113 15.0210 15.0210 k = 0.0000 0.0000 0.9687 ( 3069 PWs) bands (ev): -73.2572 -73.2572 -42.0811 -42.0811 -37.6215 -37.6215 -37.6037 -37.6037 7.1273 7.1273 7.6569 7.6569 7.8344 7.8344 8.0132 8.0132 8.9773 8.9773 9.1840 9.1840 10.0823 10.0823 11.0462 11.0462 11.1908 11.1908 11.6704 11.6704 12.6182 12.6182 13.9363 13.9363 15.1316 15.1316 k = 0.0000 0.0000 0.9873 ( 3071 PWs) bands (ev): -73.2572 -73.2572 -42.0813 -42.0813 -37.6219 -37.6219 -37.6038 -37.6038 7.1159 7.1159 7.6503 7.6503 7.8284 7.8284 7.9984 7.9984 9.0343 9.0343 9.2423 9.2423 10.0338 10.0338 11.0207 11.0207 11.1924 11.1924 11.6101 11.6101 12.6753 12.6753 13.9601 13.9601 15.2395 15.2395 k = 0.0000 0.0000 1.0059 ( 3071 PWs) bands (ev): -73.2571 -73.2571 -42.0815 -42.0815 -37.6223 -37.6223 -37.6039 -37.6039 7.1048 7.1048 7.6441 7.6441 7.8233 7.8233 7.9841 7.9841 9.0911 9.0911 9.2986 9.2986 9.9862 9.9862 10.9915 10.9915 11.1938 11.1938 11.5500 11.5500 12.7384 12.7384 13.9826 13.9826 15.3441 15.3441 k = 0.0000 0.0000 1.0246 ( 3079 PWs) bands (ev): -73.2571 -73.2571 -42.0816 -42.0816 -37.6227 -37.6227 -37.6040 -37.6040 7.0942 7.0942 7.6381 7.6381 7.8190 7.8190 7.9704 7.9704 9.1475 9.1475 9.3528 9.3528 9.9398 9.9398 10.9594 10.9594 11.1951 11.1951 11.4902 11.4902 12.8058 12.8058 14.0036 14.0036 15.4447 15.4447 k = 0.0000 0.0000 1.0432 ( 3074 PWs) bands (ev): -73.2571 -73.2571 -42.0818 -42.0818 -37.6230 -37.6230 -37.6041 -37.6041 7.0842 7.0842 7.6326 7.6326 7.8157 7.8157 7.9575 7.9575 9.2033 9.2033 9.4049 9.4049 9.8950 9.8950 10.9253 10.9253 11.1963 11.1963 11.4312 11.4312 12.8761 12.8761 14.0230 14.0230 15.5409 15.5409 k = 0.0000 0.0000 1.0618 ( 3070 PWs) bands (ev): -73.2571 -73.2571 -42.0819 -42.0819 -37.6233 -37.6233 -37.6042 -37.6042 7.0747 7.0747 7.6274 7.6274 7.8132 7.8132 7.9454 7.9454 9.2581 9.2581 9.4545 9.4545 9.8522 9.8522 10.8900 10.8900 11.1973 11.1973 11.3732 11.3732 12.9477 12.9477 14.0406 14.0406 15.6320 15.6320 k = 0.0000 0.0000 1.0805 ( 3070 PWs) bands (ev): -73.2570 -73.2570 -42.0820 -42.0820 -37.6236 -37.6236 -37.6043 -37.6043 7.0659 7.0659 7.6225 7.6225 7.8115 7.8115 7.9342 7.9342 9.3116 9.3116 9.5015 9.5015 9.8120 9.8120 10.8542 10.8542 11.1980 11.1980 11.3169 11.3169 13.0193 13.0193 14.0565 14.0565 15.7175 15.7175 k = 0.0000 0.0000 1.0991 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0821 -42.0821 -37.6239 -37.6239 -37.6044 -37.6044 7.0578 7.0578 7.6179 7.6179 7.8105 7.8105 7.9239 7.9239 9.3631 9.3631 9.5457 9.5457 9.7746 9.7746 10.8186 10.8186 11.1979 11.1979 11.2631 11.2631 13.0895 13.0895 14.0704 14.0704 15.7969 15.7969 k = 0.0000 0.0000 1.1177 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0822 -42.0822 -37.6241 -37.6241 -37.6044 -37.6044 7.0505 7.0505 7.6136 7.6136 7.8102 7.8102 7.9147 7.9147 9.4125 9.4125 9.5864 9.5864 9.7408 9.7408 10.7839 10.7839 11.1925 11.1925 11.2170 11.2170 13.1569 13.1569 14.0824 14.0824 15.8697 15.8697 k = 0.0000 0.0000 1.1363 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0823 -42.0823 -37.6243 -37.6243 -37.6045 -37.6045 7.0439 7.0439 7.6097 7.6097 7.8103 7.8103 7.9065 7.9065 9.4590 9.4590 9.6221 9.6221 9.7119 9.7119 10.7508 10.7508 11.1564 11.1564 11.2047 11.2047 13.2204 13.2204 14.0924 14.0924 15.9356 15.9356 k = 0.0000 0.0000 1.1550 ( 3074 PWs) bands (ev): -73.2570 -73.2570 -42.0824 -42.0824 -37.6245 -37.6245 -37.6045 -37.6045 7.0382 7.0382 7.6062 7.6062 7.8109 7.8109 7.8993 7.8993 9.5019 9.5019 9.6463 9.6463 9.6947 9.6947 10.7199 10.7199 11.1125 11.1125 11.2039 11.2039 13.2786 13.2786 14.1006 14.1006 15.9942 15.9942 k = 0.0000 0.0000 1.1736 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0825 -42.0825 -37.6247 -37.6247 -37.6046 -37.6046 7.0333 7.0333 7.6032 7.6032 7.8116 7.8116 7.8932 7.8932 9.5404 9.5404 9.6427 9.6427 9.7052 9.7052 10.6920 10.6920 11.0722 11.0722 11.2040 11.2040 13.3304 13.3304 14.1069 14.1069 16.0449 16.0449 k = 0.0000 0.0000 1.1922 ( 3078 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6248 -37.6248 -37.6046 -37.6046 7.0293 7.0293 7.6007 7.6007 7.8124 7.8124 7.8882 7.8882 9.5737 9.5737 9.6273 9.6273 9.7270 9.7270 10.6678 10.6678 11.0373 11.0373 11.2042 11.2042 13.3747 13.3747 14.1116 14.1116 16.0876 16.0876 k = 0.0000 0.0000 1.2109 ( 3078 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.0261 7.0261 7.5986 7.5986 7.8131 7.8131 7.8844 7.8844 9.6002 9.6002 9.6138 9.6138 9.7469 9.7469 10.6481 10.6481 11.0088 11.0088 11.2044 11.2044 13.4105 13.4105 14.1148 14.1148 16.1218 16.1218 k = 0.0000 0.0000 1.2295 ( 3078 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0239 7.0239 7.5972 7.5972 7.8137 7.8137 7.8816 7.8816 9.6011 9.6011 9.6223 9.6223 9.7620 9.7620 10.6334 10.6334 10.9876 10.9876 11.2046 11.2046 13.4367 13.4367 14.1169 14.1169 16.1470 16.1470 k = 0.0000 0.0000 1.2481 ( 3072 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0226 7.0226 7.5963 7.5963 7.8141 7.8141 7.8799 7.8799 9.5948 9.5948 9.6346 9.6346 9.7713 9.7713 10.6243 10.6243 10.9745 10.9745 11.2047 11.2047 13.4528 13.4528 14.1181 14.1181 16.1625 16.1625 k = 0.0000 0.0000 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0221 7.0221 7.5960 7.5960 7.8143 7.8143 7.8794 7.8794 9.5926 9.5926 9.6388 9.6388 9.7745 9.7745 10.6212 10.6212 10.9701 10.9701 11.2048 11.2048 13.4582 13.4582 14.1184 14.1184 16.1678 16.1678 k = 0.0000 0.0000 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0221 7.0221 7.5960 7.5960 7.8143 7.8143 7.8794 7.8794 9.5926 9.5926 9.6388 9.6388 9.7745 9.7745 10.6212 10.6212 10.9701 10.9701 11.2048 11.2048 13.4582 13.4582 14.1184 14.1184 16.1678 16.1678 k =-0.0066 0.0153 1.2667 ( 3072 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0230 7.0230 7.5964 7.5964 7.8146 7.8146 7.8799 7.8799 9.5922 9.5922 9.6267 9.6267 9.7879 9.7879 10.6180 10.6180 10.9693 10.9693 11.2037 11.2037 13.4557 13.4557 14.1185 14.1185 16.1659 16.1659 k =-0.0132 0.0307 1.2667 ( 3076 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0256 7.0256 7.5975 7.5975 7.8154 7.8154 7.8815 7.8815 9.5821 9.5821 9.6085 9.6085 9.8190 9.8190 10.6083 10.6083 10.9671 10.9671 11.2003 11.2003 13.4483 13.4483 14.1186 14.1186 16.1601 16.1601 k =-0.0198 0.0460 1.2667 ( 3072 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.0301 7.0301 7.5994 7.5994 7.8169 7.8169 7.8841 7.8841 9.5488 9.5488 9.6084 9.6084 9.8572 9.8572 10.5919 10.5919 10.9640 10.9640 11.1947 11.1947 13.4360 13.4360 14.1185 14.1185 16.1505 16.1505 k =-0.0264 0.0614 1.2667 ( 3068 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6248 -37.6248 -37.6046 -37.6046 7.0362 7.0362 7.6021 7.6021 7.8189 7.8189 7.8878 7.8878 9.5083 9.5083 9.6145 9.6145 9.8981 9.8981 10.5685 10.5685 10.9604 10.9604 11.1870 11.1870 13.4191 13.4191 14.1181 14.1181 16.1368 16.1368 k =-0.0330 0.0767 1.2667 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6247 -37.6247 -37.6046 -37.6046 7.0441 7.0441 7.6055 7.6055 7.8215 7.8215 7.8925 7.8925 9.4656 9.4656 9.6233 9.6233 9.9403 9.9403 10.5380 10.5380 10.9569 10.9569 11.1774 11.1774 13.3978 13.3978 14.1170 14.1170 16.1191 16.1191 k =-0.0395 0.0921 1.2667 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6246 -37.6246 -37.6045 -37.6045 7.0536 7.0536 7.6095 7.6095 7.8246 7.8246 7.8982 7.8982 9.4220 9.4220 9.6343 9.6343 9.9828 9.9828 10.5002 10.5002 10.9542 10.9542 11.1659 11.1659 13.3725 13.3725 14.1147 14.1147 16.0971 16.0971 k =-0.0461 0.1074 1.2667 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6244 -37.6244 -37.6045 -37.6045 7.0648 7.0648 7.6143 7.6143 7.8283 7.8283 7.9048 7.9048 9.3778 9.3778 9.6471 9.6471 10.0255 10.0255 10.4555 10.4555 10.9526 10.9526 11.1527 11.1527 13.3434 13.3434 14.1107 14.1107 16.0706 16.0706 k =-0.0461 0.1074 1.2667 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6244 -37.6244 -37.6045 -37.6045 7.0648 7.0648 7.6143 7.6143 7.8283 7.8283 7.9048 7.9048 9.3778 9.3778 9.6471 9.6471 10.0255 10.0255 10.4555 10.4555 10.9526 10.9526 11.1527 11.1528 13.3434 13.3434 14.1107 14.1107 16.0706 16.0707 k =-0.0513 0.1194 1.2537 ( 3066 PWs) bands (ev): -73.2570 -73.2570 -42.0823 -42.0823 -37.6243 -37.6243 -37.6045 -37.6045 7.0748 7.0748 7.6184 7.6184 7.8315 7.8315 7.9108 7.9108 9.3405 9.3405 9.6594 9.6594 10.0574 10.0574 10.4189 10.4189 10.9529 10.9529 11.1415 11.1415 13.3164 13.3164 14.1056 14.1056 16.0436 16.0436 k =-0.0565 0.1314 1.2406 ( 3068 PWs) bands (ev): -73.2570 -73.2570 -42.0823 -42.0823 -37.6242 -37.6242 -37.6044 -37.6044 7.0862 7.0862 7.6232 7.6232 7.8349 7.8349 7.9180 7.9180 9.2979 9.2979 9.6751 9.6751 10.0867 10.0867 10.3853 10.3853 10.9548 10.9548 11.1294 11.1294 13.2839 13.2839 14.0976 14.0976 16.0060 16.0061 k =-0.0616 0.1434 1.2275 ( 3068 PWs) bands (ev): -73.2570 -73.2570 -42.0822 -42.0822 -37.6240 -37.6240 -37.6044 -37.6044 7.0990 7.0990 7.6283 7.6283 7.8384 7.8384 7.9263 7.9263 9.2498 9.2498 9.6942 9.6942 10.1131 10.1131 10.3558 10.3558 10.9572 10.9572 11.1166 11.1166 13.2468 13.2468 14.0862 14.0862 15.9560 15.9560 k =-0.0668 0.1554 1.2145 ( 3070 PWs) bands (ev): -73.2570 -73.2570 -42.0821 -42.0821 -37.6238 -37.6238 -37.6043 -37.6043 7.1131 7.1131 7.6338 7.6338 7.8420 7.8420 7.9357 7.9357 9.1964 9.1964 9.7164 9.7164 10.1360 10.1360 10.3321 10.3321 10.9597 10.9597 11.1034 11.1034 13.2056 13.2056 14.0714 14.0714 15.8927 15.8927 k =-0.0719 0.1674 1.2014 ( 3076 PWs) bands (ev): -73.2570 -73.2570 -42.0820 -42.0820 -37.6235 -37.6235 -37.6042 -37.6042 7.1284 7.1284 7.6394 7.6394 7.8459 7.8459 7.9460 7.9460 9.1379 9.1379 9.7419 9.7419 10.1538 10.1538 10.3159 10.3159 10.9615 10.9615 11.0898 11.0898 13.1611 13.1611 14.0529 14.0529 15.8172 15.8172 k =-0.0771 0.1794 1.1883 ( 3072 PWs) bands (ev): -73.2571 -73.2571 -42.0819 -42.0819 -37.6233 -37.6233 -37.6042 -37.6042 7.1450 7.1450 7.6451 7.6451 7.8500 7.8500 7.9575 7.9575 9.0748 9.0748 9.7704 9.7704 10.1645 10.1645 10.3093 10.3093 10.9626 10.9626 11.0761 11.0761 13.1139 13.1139 14.0308 14.0308 15.7312 15.7312 k =-0.0822 0.1914 1.1753 ( 3070 PWs) bands (ev): -73.2571 -73.2571 -42.0817 -42.0817 -37.6230 -37.6230 -37.6041 -37.6041 7.1626 7.1626 7.6506 7.6506 7.8545 7.8545 7.9699 7.9699 9.0077 9.0077 9.8020 9.8020 10.1669 10.1669 10.3133 10.3133 10.9626 10.9626 11.0623 11.0623 13.0643 13.0643 14.0054 14.0054 15.6371 15.6371 k =-0.0874 0.2034 1.1622 ( 3069 PWs) bands (ev): -73.2571 -73.2571 -42.0816 -42.0816 -37.6228 -37.6228 -37.6040 -37.6040 7.1814 7.1814 7.6556 7.6556 7.8595 7.8595 7.9831 7.9831 8.9373 8.9373 9.8364 9.8364 10.1623 10.1623 10.3262 10.3262 10.9619 10.9619 11.0489 11.0489 13.0130 13.0130 13.9768 13.9768 15.5368 15.5368 k =-0.0926 0.2154 1.1491 ( 3077 PWs) bands (ev): -73.2571 -73.2571 -42.0815 -42.0815 -37.6225 -37.6225 -37.6038 -37.6038 7.2011 7.2011 7.6601 7.6601 7.8649 7.8649 7.9972 7.9972 8.8642 8.8642 9.8735 9.8735 10.1532 10.1532 10.3444 10.3444 10.9606 10.9606 11.0359 11.0359 12.9604 12.9604 13.9452 13.9452 15.4324 15.4324 k =-0.0977 0.2275 1.1361 ( 3077 PWs) bands (ev): -73.2572 -73.2572 -42.0813 -42.0813 -37.6222 -37.6222 -37.6037 -37.6037 7.2219 7.2219 7.6637 7.6637 7.8710 7.8710 8.0120 8.0120 8.7892 8.7892 9.9129 9.9129 10.1417 10.1417 10.3654 10.3654 10.9594 10.9594 11.0238 11.0238 12.9069 12.9069 13.9112 13.9112 15.3254 15.3254 k =-0.1029 0.2395 1.1230 ( 3081 PWs) bands (ev): -73.2572 -73.2572 -42.0812 -42.0812 -37.6219 -37.6219 -37.6036 -37.6036 7.2433 7.2433 7.6662 7.6662 7.8780 7.8780 8.0275 8.0275 8.7128 8.7128 9.9544 9.9544 10.1288 10.1288 10.3872 10.3872 10.9589 10.9589 11.0131 11.0131 12.8528 12.8528 13.8749 13.8749 15.2171 15.2171 k =-0.1080 0.2515 1.1099 ( 3073 PWs) bands (ev): -73.2572 -73.2572 -42.0810 -42.0810 -37.6216 -37.6216 -37.6034 -37.6034 7.2656 7.2656 7.6676 7.6676 7.8858 7.8858 8.0435 8.0435 8.6359 8.6359 9.9968 9.9968 10.1154 10.1154 10.4085 10.4085 10.9595 10.9595 11.0045 11.0045 12.7986 12.7986 13.8368 13.8368 15.1087 15.1087 k =-0.1132 0.2635 1.0969 ( 3081 PWs) bands (ev): -73.2573 -73.2573 -42.0809 -42.0809 -37.6212 -37.6212 -37.6032 -37.6032 7.2884 7.2884 7.6674 7.6674 7.8944 7.8944 8.0599 8.0599 8.5590 8.5590 10.0361 10.0361 10.1049 10.1049 10.4283 10.4283 10.9611 10.9611 10.9998 10.9998 12.7445 12.7445 13.7971 13.7971 15.0010 15.0010 k =-0.1183 0.2755 1.0838 ( 3081 PWs) bands (ev): -73.2573 -73.2573 -42.0807 -42.0807 -37.6209 -37.6209 -37.6031 -37.6031 7.3117 7.3117 7.6658 7.6658 7.9039 7.9039 8.0763 8.0763 8.4831 8.4831 10.0526 10.0526 10.1163 10.1163 10.4460 10.4460 10.9625 10.9625 11.0014 11.0014 12.6908 12.6908 13.7561 13.7561 14.8947 14.8947 k =-0.1235 0.2875 1.0707 ( 3080 PWs) bands (ev): -73.2573 -73.2573 -42.0805 -42.0805 -37.6206 -37.6206 -37.6029 -37.6029 7.3352 7.3352 7.6627 7.6627 7.9140 7.9140 8.0922 8.0922 8.4091 8.4091 10.0390 10.0390 10.1562 10.1562 10.4612 10.4612 10.9628 10.9628 11.0117 11.0117 12.6378 12.6378 13.7142 13.7142 14.7905 14.7905 k =-0.1287 0.2995 1.0577 ( 3082 PWs) bands (ev): -73.2574 -73.2574 -42.0803 -42.0803 -37.6203 -37.6203 -37.6026 -37.6026 7.3587 7.3587 7.6580 7.6580 7.9243 7.9243 8.1066 8.1066 8.3389 8.3389 10.0150 10.0150 10.2038 10.2038 10.4740 10.4740 10.9633 10.9633 11.0303 11.0303 12.5858 12.5858 13.6715 13.6715 14.6887 14.6887 k =-0.1338 0.3115 1.0446 ( 3076 PWs) bands (ev): -73.2574 -73.2574 -42.0802 -42.0802 -37.6200 -37.6200 -37.6024 -37.6024 7.3820 7.3820 7.6521 7.6521 7.9344 7.9344 8.1166 8.1166 8.2762 8.2762 9.9858 9.9858 10.2531 10.2531 10.4845 10.4845 10.9659 10.9659 11.0561 11.0561 12.5350 12.5350 13.6283 13.6283 14.5898 14.5898 k =-0.1390 0.3235 1.0315 ( 3082 PWs) bands (ev): -73.2575 -73.2575 -42.0800 -42.0800 -37.6197 -37.6197 -37.6022 -37.6022 7.4044 7.4044 7.6448 7.6448 7.9427 7.9427 8.1140 8.1140 8.2310 8.2310 9.9521 9.9521 10.3023 10.3023 10.4936 10.4936 10.9720 10.9720 11.0880 11.0880 12.4857 12.4857 13.5848 13.5848 14.4940 14.4940 k =-0.1441 0.3355 1.0185 ( 3083 PWs) bands (ev): -73.2575 -73.2575 -42.0798 -42.0798 -37.6194 -37.6194 -37.6019 -37.6019 7.4254 7.4254 7.6367 7.6367 7.9458 7.9458 8.0903 8.0903 8.2154 8.2154 9.9143 9.9143 10.3502 10.3502 10.5021 10.5021 10.9828 10.9828 11.1250 11.1250 12.4383 12.4383 13.5411 13.5411 14.4017 14.4017 k =-0.1493 0.3475 1.0054 ( 3077 PWs) bands (ev): -73.2575 -73.2575 -42.0796 -42.0796 -37.6192 -37.6192 -37.6016 -37.6016 7.4443 7.4443 7.6278 7.6278 7.9365 7.9365 8.0622 8.0622 8.2211 8.2211 9.8727 9.8727 10.3954 10.3954 10.5108 10.5108 10.9992 10.9992 11.1663 11.1663 12.3929 12.3929 13.4975 13.4975 14.3130 14.3130 k =-0.1544 0.3595 0.9923 ( 3070 PWs) bands (ev): -73.2575 -73.2575 -42.0794 -42.0794 -37.6189 -37.6189 -37.6013 -37.6013 7.4598 7.4598 7.6184 7.6184 7.9087 7.9087 8.0500 8.0500 8.2345 8.2345 9.8278 9.8278 10.4363 10.4363 10.5209 10.5209 11.0222 11.0222 11.2108 11.2108 12.3501 12.3501 13.4540 13.4540 14.2280 14.2280 k =-0.1596 0.3715 0.9793 ( 3073 PWs) bands (ev): -73.2576 -73.2576 -42.0792 -42.0792 -37.6187 -37.6187 -37.6010 -37.6010 7.4703 7.4703 7.6080 7.6080 7.8704 7.8704 8.0526 8.0526 8.2506 8.2506 9.7800 9.7800 10.4707 10.4707 10.5341 10.5341 11.0526 11.0526 11.2575 11.2575 12.3103 12.3103 13.4108 13.4108 14.1469 14.1469 k =-0.1648 0.3835 0.9662 ( 3075 PWs) bands (ev): -73.2576 -73.2576 -42.0791 -42.0791 -37.6184 -37.6184 -37.6007 -37.6007 7.4745 7.4745 7.5951 7.5951 7.8340 7.8340 8.0622 8.0622 8.2678 8.2678 9.7298 9.7298 10.4966 10.4966 10.5522 10.5522 11.0908 11.0908 11.3052 11.3052 12.2740 12.2740 13.3680 13.3680 14.0698 14.0698 k =-0.1699 0.3955 0.9531 ( 3078 PWs) bands (ev): -73.2577 -73.2577 -42.0789 -42.0789 -37.6182 -37.6182 -37.6004 -37.6004 7.4719 7.4719 7.5770 7.5770 7.8076 7.8076 8.0749 8.0749 8.2853 8.2853 9.6780 9.6780 10.5148 10.5148 10.5743 10.5743 11.1368 11.1368 11.3528 11.3528 12.2421 12.2421 13.3257 13.3257 13.9966 13.9966 k =-0.1751 0.4075 0.9401 ( 3080 PWs) bands (ev): -73.2577 -73.2577 -42.0787 -42.0787 -37.6180 -37.6180 -37.6001 -37.6001 7.4622 7.4622 7.5519 7.5519 7.7951 7.7951 8.0890 8.0890 8.3027 8.3027 9.6250 9.6250 10.5287 10.5287 10.5972 10.5972 11.1902 11.1902 11.3989 11.3989 12.2155 12.2155 13.2840 13.2840 13.9274 13.9274 k =-0.1802 0.4195 0.9270 ( 3080 PWs) bands (ev): -73.2577 -73.2577 -42.0785 -42.0785 -37.6179 -37.6179 -37.5998 -37.5998 7.4453 7.4453 7.5220 7.5220 7.7958 7.7958 8.1037 8.1037 8.3198 8.3198 9.5713 9.5713 10.5409 10.5409 10.6190 10.6190 11.2502 11.2502 11.4420 11.4420 12.1954 12.1954 13.2431 13.2431 13.8623 13.8623 k =-0.1854 0.4315 0.9139 ( 3078 PWs) bands (ev): -73.2578 -73.2578 -42.0784 -42.0784 -37.6177 -37.6177 -37.5994 -37.5994 7.4204 7.4204 7.4920 7.4920 7.8059 7.8059 8.1187 8.1187 8.3364 8.3364 9.5177 9.5177 10.5523 10.5523 10.6392 10.6392 11.3158 11.3158 11.4805 11.4805 12.1831 12.1831 13.2031 13.2031 13.8012 13.8012 k =-0.1905 0.4436 0.9009 ( 3078 PWs) bands (ev): -73.2578 -73.2578 -42.0782 -42.0782 -37.6175 -37.6175 -37.5991 -37.5991 7.3879 7.3879 7.4655 7.4655 7.8221 7.8221 8.1335 8.1335 8.3523 8.3523 9.4644 9.4644 10.5634 10.5634 10.6578 10.6578 11.3862 11.3862 11.5126 11.5126 12.1800 12.1800 13.1640 13.1640 13.7442 13.7442 k =-0.1957 0.4556 0.8878 ( 3076 PWs) bands (ev): -73.2578 -73.2578 -42.0780 -42.0780 -37.6174 -37.6174 -37.5988 -37.5988 7.3502 7.3502 7.4427 7.4427 7.8420 7.8420 8.1482 8.1482 8.3674 8.3674 9.4121 9.4121 10.5744 10.5744 10.6753 10.6753 11.4603 11.4603 11.5373 11.5373 12.1869 12.1869 13.1261 13.1261 13.6911 13.6911 k =-0.2009 0.4676 0.8747 ( 3077 PWs) bands (ev): -73.2579 -73.2579 -42.0779 -42.0779 -37.6173 -37.6173 -37.5985 -37.5985 7.3106 7.3106 7.4221 7.4221 7.8640 7.8640 8.1624 8.1624 8.3816 8.3816 9.3611 9.3611 10.5851 10.5851 10.6918 10.6918 11.5361 11.5361 11.5552 11.5552 12.2041 12.2041 13.0894 13.0894 13.6421 13.6421 k =-0.2060 0.4796 0.8617 ( 3081 PWs) bands (ev): -73.2579 -73.2579 -42.0778 -42.0778 -37.6171 -37.6171 -37.5982 -37.5982 7.2712 7.2712 7.4028 7.4028 7.8873 7.8873 8.1761 8.1761 8.3947 8.3947 9.3118 9.3118 10.5955 10.5955 10.7078 10.7078 11.5607 11.5607 11.6187 11.6187 12.2309 12.2309 13.0541 13.0541 13.5970 13.5970 k =-0.2112 0.4916 0.8486 ( 3077 PWs) bands (ev): -73.2579 -73.2579 -42.0776 -42.0776 -37.6170 -37.6170 -37.5979 -37.5979 7.2332 7.2332 7.3845 7.3845 7.9112 7.9112 8.1892 8.1892 8.4067 8.4067 9.2646 9.2646 10.6056 10.6056 10.7232 10.7232 11.5627 11.5627 11.6998 11.6998 12.2658 12.2658 13.0204 13.0204 13.5559 13.5559 k =-0.2163 0.5036 0.8355 ( 3081 PWs) bands (ev): -73.2579 -73.2579 -42.0775 -42.0775 -37.6170 -37.6170 -37.5976 -37.5976 7.1971 7.1971 7.3671 7.3671 7.9350 7.9350 8.2014 8.2014 8.4174 8.4174 9.2198 9.2198 10.6152 10.6152 10.7380 10.7380 11.5592 11.5592 11.7822 11.7822 12.3067 12.3067 12.9884 12.9884 13.5188 13.5188 k =-0.2215 0.5156 0.8225 ( 3081 PWs) bands (ev): -73.2580 -73.2580 -42.0774 -42.0774 -37.6169 -37.6169 -37.5973 -37.5973 7.1635 7.1635 7.3507 7.3507 7.9586 7.9586 8.2129 8.2129 8.4268 8.4268 9.1779 9.1779 10.6242 10.6242 10.7524 10.7524 11.5520 11.5520 11.8649 11.8649 12.3516 12.3516 12.9584 12.9584 13.4856 13.4856 k =-0.2267 0.5276 0.8094 ( 3081 PWs) bands (ev): -73.2580 -73.2580 -42.0773 -42.0773 -37.6168 -37.6168 -37.5971 -37.5971 7.1327 7.1327 7.3353 7.3353 7.9816 7.9816 8.2234 8.2234 8.4349 8.4349 9.1391 9.1391 10.6326 10.6326 10.7661 10.7661 11.5424 11.5424 11.9472 11.9472 12.3986 12.3986 12.9304 12.9304 13.4565 13.4565 k =-0.2318 0.5396 0.7963 ( 3081 PWs) bands (ev): -73.2580 -73.2580 -42.0772 -42.0772 -37.6167 -37.6167 -37.5969 -37.5969 7.1047 7.1047 7.3211 7.3211 8.0035 8.0035 8.2329 8.2329 8.4415 8.4415 9.1036 9.1036 10.6402 10.6402 10.7791 10.7791 11.5317 11.5317 12.0283 12.0283 12.4459 12.4459 12.9047 12.9047 13.4314 13.4314 k =-0.2370 0.5516 0.7833 ( 3085 PWs) bands (ev): -73.2580 -73.2580 -42.0771 -42.0771 -37.6167 -37.6167 -37.5967 -37.5967 7.0798 7.0798 7.3083 7.3083 8.0242 8.0242 8.2414 8.2414 8.4468 8.4468 9.0718 9.0718 10.6472 10.6472 10.7911 10.7911 11.5208 11.5208 12.1069 12.1069 12.4918 12.4918 12.8814 12.8814 13.4106 13.4106 k =-0.2421 0.5636 0.7702 ( 3085 PWs) bands (ev): -73.2580 -73.2580 -42.0770 -42.0770 -37.6166 -37.6166 -37.5965 -37.5965 7.0580 7.0580 7.2969 7.2969 8.0434 8.0434 8.2487 8.2487 8.4507 8.4507 9.0438 9.0438 10.6533 10.6533 10.8020 10.8020 11.5103 11.5103 12.1820 12.1820 12.5349 12.5349 12.8608 12.8608 13.3942 13.3942 k =-0.2473 0.5756 0.7571 ( 3084 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6166 -37.6166 -37.5963 -37.5963 7.0395 7.0395 7.2871 7.2871 8.0605 8.0605 8.2550 8.2550 8.4535 8.4535 9.0199 9.0199 10.6585 10.6585 10.8116 10.8116 11.5007 11.5007 12.2517 12.2517 12.5740 12.5740 12.8430 12.8430 13.3823 13.3823 k =-0.2524 0.5876 0.7441 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6166 -37.6166 -37.5962 -37.5962 7.0242 7.0242 7.2789 7.2789 8.0753 8.0753 8.2600 8.2600 8.4552 8.4552 9.0001 9.0001 10.6629 10.6629 10.8197 10.8197 11.4924 11.4924 12.3143 12.3143 12.6079 12.6079 12.8282 12.8282 13.3752 13.3752 k =-0.2576 0.5996 0.7310 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6165 -37.6165 -37.5961 -37.5961 7.0123 7.0123 7.2724 7.2724 8.0873 8.0873 8.2639 8.2639 8.4562 8.4562 8.9847 8.9847 10.6663 10.6663 10.8262 10.8262 11.4856 11.4856 12.3671 12.3671 12.6355 12.6355 12.8165 12.8165 13.3727 13.3727 k =-0.2628 0.6116 0.7179 ( 3096 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 7.0038 7.0038 7.2678 7.2678 8.0962 8.0962 8.2666 8.2666 8.4567 8.4567 8.9737 8.9737 10.6688 10.6688 10.8309 10.8309 11.4807 11.4807 12.4077 12.4077 12.6559 12.6559 12.8080 12.8080 13.3740 13.3740 k =-0.2679 0.6236 0.7049 ( 3090 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 6.9987 6.9987 7.2650 7.2650 8.1017 8.1017 8.2683 8.2683 8.4569 8.4569 8.9670 8.9670 10.6703 10.6703 10.8338 10.8338 11.4777 11.4777 12.4334 12.4334 12.6684 12.6684 12.8029 12.8029 13.3771 13.3771 k =-0.2731 0.6356 0.6918 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 6.9970 6.9970 7.2640 7.2640 8.1036 8.1036 8.2688 8.2688 8.4570 8.4570 8.9648 8.9648 10.6708 10.6708 10.8347 10.8347 11.4766 11.4766 12.4423 12.4423 12.6725 12.6725 12.8012 12.8012 13.3787 13.3787 k =-0.2731 0.6356 0.6918 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 6.9970 6.9970 7.2640 7.2640 8.1036 8.1036 8.2688 8.2688 8.4570 8.4570 8.9648 8.9648 10.6708 10.6708 10.8347 10.8347 11.4766 11.4766 12.4423 12.4423 12.6725 12.6725 12.8012 12.8012 13.3787 13.3787 k =-0.2678 0.6234 0.6785 ( 3092 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6167 -37.6167 -37.5960 -37.5960 7.0039 7.0039 7.2702 7.2702 8.1032 8.1032 8.2720 8.2720 8.4578 8.4578 8.9989 8.9989 10.6540 10.6540 10.7972 10.7972 11.5082 11.5082 12.4131 12.4131 12.7161 12.7161 12.7704 12.7704 13.3672 13.3672 k =-0.2626 0.6112 0.6652 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5959 -37.5959 7.0108 7.0108 7.2776 7.2776 8.1039 8.1039 8.2731 8.2731 8.4565 8.4565 9.0251 9.0251 10.6119 10.6119 10.7870 10.7870 11.5413 11.5413 12.3801 12.3801 12.7412 12.7412 12.7633 12.7633 13.3581 13.3581 k =-0.2573 0.5990 0.6519 ( 3084 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 7.0174 7.0174 7.2861 7.2861 8.1056 8.1056 8.2719 8.2719 8.4529 8.4529 9.0424 9.0424 10.5623 10.5623 10.7884 10.7884 11.5761 11.5761 12.3429 12.3429 12.7164 12.7164 12.8109 12.8109 13.3510 13.3510 k =-0.2521 0.5867 0.6386 ( 3082 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 7.0237 7.0237 7.2958 7.2958 8.1084 8.1084 8.2676 8.2676 8.4474 8.4474 9.0501 9.0501 10.5164 10.5164 10.7920 10.7920 11.6125 11.6125 12.3013 12.3013 12.6940 12.6940 12.8607 12.8607 13.3452 13.3452 k =-0.2468 0.5745 0.6253 ( 3078 PWs) bands (ev): -73.2580 -73.2580 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 7.0296 7.0296 7.3066 7.3066 8.1121 8.1121 8.2593 8.2593 8.4407 8.4407 9.0481 9.0481 10.4787 10.4787 10.7950 10.7950 11.6504 11.6504 12.2553 12.2553 12.6745 12.6745 12.9118 12.9118 13.3400 13.3400 k =-0.2416 0.5623 0.6120 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 7.0352 7.0352 7.3186 7.3186 8.1165 8.1165 8.2455 8.2455 8.4337 8.4337 9.0366 9.0366 10.4509 10.4509 10.7964 10.7964 11.6899 11.6899 12.2052 12.2052 12.6581 12.6581 12.9639 12.9639 13.3343 13.3343 k =-0.2363 0.5501 0.5987 ( 3092 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5959 -37.5959 7.0402 7.0402 7.3317 7.3317 8.1212 8.1212 8.2253 8.2253 8.4276 8.4276 9.0165 9.0165 10.4336 10.4336 10.7961 10.7961 11.7308 11.7308 12.1512 12.1512 12.6447 12.6447 13.0163 13.0163 13.3270 13.3270 k =-0.2311 0.5379 0.5854 ( 3092 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6167 -37.6167 -37.5960 -37.5960 7.0445 7.0445 7.3459 7.3459 8.1248 8.1248 8.1993 8.1993 8.4234 8.4234 8.9892 8.9892 10.4263 10.4263 10.7940 10.7940 11.7730 11.7730 12.0937 12.0937 12.6344 12.6344 13.0686 13.0686 13.3166 13.3166 k =-0.2258 0.5256 0.5721 ( 3080 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 7.0479 7.0479 7.3613 7.3613 8.1201 8.1201 8.1739 8.1739 8.4213 8.4213 8.9563 8.9563 10.4283 10.4283 10.7903 10.7903 11.8166 11.8166 12.0333 12.0333 12.6271 12.6271 13.1201 13.1201 13.3021 13.3021 k =-0.2206 0.5134 0.5588 ( 3072 PWs) bands (ev): -73.2581 -73.2581 -42.0767 -42.0767 -37.6163 -37.6163 -37.5960 -37.5960 7.0502 7.0502 7.3777 7.3777 8.0908 8.0908 8.1659 8.1659 8.4213 8.4213 8.9194 8.9194 10.4383 10.4383 10.7850 10.7850 11.8611 11.8611 11.9706 11.9706 12.6230 12.6230 13.1695 13.1695 13.2850 13.2850 k =-0.2153 0.5012 0.5455 ( 3072 PWs) bands (ev): -73.2581 -73.2581 -42.0766 -42.0766 -37.6160 -37.6160 -37.5960 -37.5960 7.0511 7.0511 7.3952 7.3952 8.0417 8.0417 8.1712 8.1712 8.4229 8.4229 8.8800 8.8800 10.4550 10.4550 10.7780 10.7780 11.8949 11.8949 11.9175 11.9175 12.6220 12.6220 13.2134 13.2134 13.2700 13.2700 k =-0.2101 0.4890 0.5322 ( 3060 PWs) bands (ev): -73.2581 -73.2581 -42.0766 -42.0766 -37.6157 -37.6157 -37.5961 -37.5961 7.0501 7.0501 7.4136 7.4136 7.9831 7.9831 8.1809 8.1809 8.4256 8.4256 8.8394 8.8394 10.4776 10.4776 10.7695 10.7695 11.8356 11.8356 11.9570 11.9570 12.6240 12.6240 13.2292 13.2292 13.2795 13.2795 k =-0.2048 0.4767 0.5189 ( 3064 PWs) bands (ev): -73.2581 -73.2581 -42.0765 -42.0765 -37.6154 -37.6154 -37.5961 -37.5961 7.0467 7.0467 7.4329 7.4329 7.9188 7.9188 8.1924 8.1924 8.4290 8.4290 8.7983 8.7983 10.5049 10.5049 10.7591 10.7591 11.7672 11.7672 12.0051 12.0051 12.6291 12.6291 13.2157 13.2157 13.2696 13.2696 k =-0.1996 0.4645 0.5056 ( 3056 PWs) bands (ev): -73.2581 -73.2581 -42.0764 -42.0764 -37.6151 -37.6151 -37.5961 -37.5961 7.0402 7.0402 7.4532 7.4532 7.8511 7.8511 8.2054 8.2054 8.4325 8.4325 8.7576 8.7576 10.5361 10.5361 10.7469 10.7469 11.6976 11.6976 12.0546 12.0546 12.6372 12.6372 13.1979 13.1979 13.2497 13.2497 k =-0.1943 0.4523 0.4923 ( 3060 PWs) bands (ev): -73.2582 -73.2582 -42.0762 -42.0762 -37.6147 -37.6147 -37.5962 -37.5962 7.0297 7.0297 7.4742 7.4742 7.7822 7.7822 8.2192 8.2192 8.4355 8.4355 8.7179 8.7179 10.5708 10.5708 10.7326 10.7326 11.6271 11.6271 12.1052 12.1052 12.6483 12.6483 13.1793 13.1793 13.2296 13.2296 k =-0.1890 0.4401 0.4789 ( 3054 PWs) bands (ev): -73.2582 -73.2582 -42.0761 -42.0761 -37.6143 -37.6143 -37.5962 -37.5962 7.0142 7.0142 7.4959 7.4959 7.7144 7.7144 8.2340 8.2340 8.4371 8.4371 8.6803 8.6803 10.6082 10.6082 10.7161 10.7161 11.5564 11.5564 12.1568 12.1568 12.6623 12.6623 13.1598 13.1598 13.2107 13.2107 k =-0.1838 0.4278 0.4656 ( 3062 PWs) bands (ev): -73.2582 -73.2582 -42.0760 -42.0760 -37.6138 -37.6138 -37.5963 -37.5963 6.9922 6.9922 7.5175 7.5175 7.6504 7.6504 8.2493 8.2493 8.4358 8.4358 8.6459 8.6459 10.6471 10.6471 10.6977 10.6977 11.4858 11.4858 12.2092 12.2092 12.6793 12.6793 13.1390 13.1390 13.1943 13.1943 k =-0.1785 0.4156 0.4523 ( 3058 PWs) bands (ev): -73.2583 -73.2583 -42.0758 -42.0758 -37.6133 -37.6133 -37.5963 -37.5963 6.9625 6.9625 7.5362 7.5362 7.5954 7.5954 8.2652 8.2652 8.4297 8.4297 8.6169 8.6169 10.6667 10.6667 10.6979 10.6979 11.4159 11.4159 12.2624 12.2624 12.6991 12.6991 13.1169 13.1169 13.1813 13.1813 k =-0.1733 0.4034 0.4390 ( 3063 PWs) bands (ev): -73.2583 -73.2583 -42.0757 -42.0757 -37.6128 -37.6128 -37.5964 -37.5964 6.9238 6.9238 7.5245 7.5245 7.5783 7.5783 8.2814 8.2814 8.4168 8.4168 8.5954 8.5954 10.6436 10.6436 10.7394 10.7394 11.3469 11.3469 12.3162 12.3162 12.7216 12.7216 13.0941 13.0941 13.1718 13.1718 k =-0.1680 0.3912 0.4257 ( 3061 PWs) bands (ev): -73.2583 -73.2583 -42.0755 -42.0755 -37.6123 -37.6123 -37.5965 -37.5965 6.8758 6.8758 7.4854 7.4854 7.5975 7.5975 8.2972 8.2972 8.3965 8.3965 8.5825 8.5825 10.6132 10.6132 10.7862 10.7862 11.2796 11.2796 12.3705 12.3705 12.7468 12.7468 13.0720 13.0720 13.1654 13.1654 k =-0.1628 0.3789 0.4124 ( 3069 PWs) bands (ev): -73.2584 -73.2584 -42.0754 -42.0754 -37.6118 -37.6118 -37.5965 -37.5965 6.8188 6.8188 7.4502 7.4502 7.6213 7.6213 8.3105 8.3105 8.3716 8.3716 8.5772 8.5772 10.5778 10.5778 10.8354 10.8354 11.2141 11.2141 12.4253 12.4253 12.7745 12.7745 13.0515 13.0515 13.1620 13.1620 k =-0.1575 0.3667 0.3991 ( 3073 PWs) bands (ev): -73.2584 -73.2584 -42.0752 -42.0752 -37.6112 -37.6112 -37.5966 -37.5966 6.7540 6.7540 7.4218 7.4218 7.6462 7.6462 8.3101 8.3101 8.3557 8.3557 8.5777 8.5777 10.5374 10.5374 10.8867 10.8867 11.1511 11.1511 12.4803 12.4803 12.8046 12.8046 13.0336 13.0336 13.1612 13.1612 k =-0.1523 0.3545 0.3858 ( 3077 PWs) bands (ev): -73.2585 -73.2585 -42.0750 -42.0750 -37.6106 -37.6106 -37.5967 -37.5967 6.6831 6.6831 7.3994 7.3994 7.6714 7.6714 8.2839 8.2839 8.3628 8.3628 8.5818 8.5818 10.4920 10.4920 10.9397 10.9397 11.0911 11.0911 12.5356 12.5356 12.8365 12.8365 13.0194 13.0194 13.1630 13.1630 k =-0.1470 0.3423 0.3725 ( 3079 PWs) bands (ev): -73.2585 -73.2585 -42.0749 -42.0749 -37.6100 -37.6100 -37.5967 -37.5967 6.6078 6.6078 7.3819 7.3819 7.6963 7.6963 8.2484 8.2484 8.3779 8.3779 8.5885 8.5885 10.4415 10.4415 10.9904 10.9904 11.0379 11.0379 12.5909 12.5909 12.8698 12.8698 13.0101 13.0101 13.1674 13.1674 k =-0.1418 0.3300 0.3592 ( 3077 PWs) bands (ev): -73.2585 -73.2585 -42.0747 -42.0747 -37.6094 -37.6094 -37.5968 -37.5968 6.5295 6.5295 7.3681 7.3681 7.7206 7.7206 8.2114 8.2114 8.3945 8.3945 8.5969 8.5969 10.3863 10.3863 10.9714 10.9714 11.0591 11.0591 12.6461 12.6461 12.9027 12.9027 13.0074 13.0074 13.1741 13.1741 k =-0.1365 0.3178 0.3459 ( 3073 PWs) bands (ev): -73.2586 -73.2586 -42.0745 -42.0745 -37.6088 -37.6088 -37.5969 -37.5969 6.4497 6.4497 7.3569 7.3569 7.7435 7.7435 8.1750 8.1750 8.4114 8.4114 8.6067 8.6067 10.3268 10.3268 10.9197 10.9197 11.1173 11.1173 12.7011 12.7011 12.9322 12.9322 13.0149 13.0149 13.1832 13.1832 k =-0.1313 0.3056 0.3326 ( 3077 PWs) bands (ev): -73.2586 -73.2586 -42.0743 -42.0743 -37.6082 -37.6082 -37.5969 -37.5969 6.3692 6.3692 7.3477 7.3477 7.7637 7.7637 8.1411 8.1411 8.4280 8.4280 8.6174 8.6174 10.2636 10.2636 10.8685 10.8685 11.1789 11.1789 12.7557 12.7557 12.9542 12.9542 13.0366 13.0366 13.1946 13.1946 k =-0.1260 0.2934 0.3193 ( 3081 PWs) bands (ev): -73.2587 -73.2587 -42.0741 -42.0741 -37.6076 -37.6076 -37.5970 -37.5970 6.2890 6.2890 7.3399 7.3399 7.7800 7.7800 8.1117 8.1117 8.4440 8.4440 8.6291 8.6291 10.1975 10.1975 10.8186 10.8186 11.2428 11.2428 12.8097 12.8097 12.9701 12.9701 13.0711 13.0711 13.2082 13.2082 k =-0.1208 0.2811 0.3060 ( 3089 PWs) bands (ev): -73.2587 -73.2587 -42.0740 -42.0740 -37.6070 -37.6070 -37.5971 -37.5971 6.2096 6.2096 7.3329 7.3329 7.7899 7.7899 8.0891 8.0891 8.4594 8.4594 8.6415 8.6415 10.1291 10.1291 10.7699 10.7699 11.3087 11.3087 12.8630 12.8630 12.9850 12.9850 13.1132 13.1132 13.2239 13.2239 k =-0.1155 0.2689 0.2927 ( 3085 PWs) bands (ev): -73.2587 -73.2587 -42.0738 -42.0738 -37.6063 -37.6063 -37.5971 -37.5971 6.1316 6.1316 7.3267 7.3267 7.7914 7.7914 8.0760 8.0760 8.4740 8.4740 8.6548 8.6548 10.0592 10.0592 10.7223 10.7223 11.3765 11.3765 12.9151 12.9151 13.0018 13.0018 13.1596 13.1596 13.2417 13.2417 k =-0.1103 0.2567 0.2794 ( 3085 PWs) bands (ev): -73.2588 -73.2588 -42.0736 -42.0736 -37.6057 -37.6057 -37.5972 -37.5972 6.0554 6.0554 7.3208 7.3208 7.7831 7.7831 8.0737 8.0737 8.4876 8.4876 8.6688 8.6688 9.9883 9.9883 10.6754 10.6754 11.4460 11.4460 12.9654 12.9654 13.0219 13.0219 13.2085 13.2085 13.2617 13.2617 k =-0.1050 0.2445 0.2661 ( 3089 PWs) bands (ev): -73.2588 -73.2588 -42.0734 -42.0734 -37.6051 -37.6051 -37.5973 -37.5973 5.9813 5.9813 7.3150 7.3150 7.7660 7.7660 8.0815 8.0815 8.5002 8.5002 8.6834 8.6834 9.9171 9.9171 10.6294 10.6294 11.5170 11.5170 13.0125 13.0125 13.0457 13.0457 13.2570 13.2570 13.2834 13.2834 k =-0.0998 0.2323 0.2528 ( 3089 PWs) bands (ev): -73.2589 -73.2589 -42.0732 -42.0732 -37.6045 -37.6045 -37.5973 -37.5973 5.9096 5.9096 7.3094 7.3094 7.7424 7.7424 8.0972 8.0972 8.5117 8.5117 8.6984 8.6984 9.8461 9.8461 10.5842 10.5842 11.5892 11.5892 13.0536 13.0536 13.0737 13.0737 13.2652 13.2652 13.3006 13.3006 k =-0.0945 0.2200 0.2395 ( 3089 PWs) bands (ev): -73.2589 -73.2589 -42.0731 -42.0731 -37.6039 -37.6039 -37.5974 -37.5974 5.8405 5.8405 7.3038 7.3038 7.7147 7.7147 8.1184 8.1184 8.5223 8.5223 8.7139 8.7139 9.7757 9.7757 10.5397 10.5397 11.6626 11.6626 13.0850 13.0850 13.1039 13.1039 13.2542 13.2542 13.3274 13.3274 k =-0.0893 0.2078 0.2262 ( 3093 PWs) bands (ev): -73.2590 -73.2590 -42.0729 -42.0729 -37.6034 -37.6034 -37.5975 -37.5975 5.7743 5.7743 7.2980 7.2980 7.6851 7.6851 8.1431 8.1431 8.5318 8.5318 8.7297 8.7297 9.7063 9.7063 10.4961 10.4961 11.7367 11.7367 13.0999 13.0999 13.1340 13.1340 13.2613 13.2613 13.3540 13.3540 k =-0.0840 0.1956 0.2129 ( 3097 PWs) bands (ev): -73.2590 -73.2590 -42.0727 -42.0727 -37.6028 -37.6028 -37.5975 -37.5975 5.7111 5.7111 7.2921 7.2921 7.6549 7.6549 8.1703 8.1703 8.5404 8.5404 8.7455 8.7455 9.6383 9.6383 10.4535 10.4535 11.8111 11.8111 13.0939 13.0939 13.1674 13.1674 13.2882 13.2882 13.3819 13.3819 k =-0.0788 0.1834 0.1996 ( 3097 PWs) bands (ev): -73.2590 -73.2590 -42.0726 -42.0726 -37.6023 -37.6023 -37.5976 -37.5976 5.6511 5.6511 7.2859 7.2859 7.6250 7.6250 8.1990 8.1990 8.5482 8.5482 8.7613 8.7613 9.5721 9.5721 10.4121 10.4121 11.8855 11.8855 13.0760 13.0760 13.2034 13.2034 13.3262 13.3262 13.4115 13.4115 k =-0.0735 0.1711 0.1863 ( 3093 PWs) bands (ev): -73.2591 -73.2591 -42.0724 -42.0724 -37.6018 -37.6018 -37.5976 -37.5976 5.5945 5.5945 7.2795 7.2795 7.5961 7.5961 8.2286 8.2286 8.5552 8.5552 8.7770 8.7770 9.5078 9.5078 10.3719 10.3719 11.9595 11.9595 13.0535 13.0535 13.2410 13.2410 13.3681 13.3681 13.4434 13.4434 k =-0.0683 0.1589 0.1730 ( 3095 PWs) bands (ev): -73.2591 -73.2591 -42.0723 -42.0723 -37.6013 -37.6013 -37.5976 -37.5976 5.5413 5.5413 7.2728 7.2728 7.5687 7.5687 8.2588 8.2588 8.5617 8.5617 8.7922 8.7922 9.4457 9.4457 10.3333 10.3333 12.0323 12.0323 13.0299 13.0299 13.2796 13.2796 13.4097 13.4097 13.4789 13.4789 k =-0.0630 0.1467 0.1596 ( 3097 PWs) bands (ev): -73.2591 -73.2591 -42.0721 -42.0721 -37.6009 -37.6009 -37.5977 -37.5977 5.4916 5.4916 7.2658 7.2658 7.5431 7.5431 8.2890 8.2890 8.5675 8.5675 8.8070 8.8070 9.3861 9.3861 10.2963 10.2963 12.1035 12.1035 13.0066 13.0066 13.3185 13.3185 13.4485 13.4485 13.5195 13.5195 k =-0.0578 0.1345 0.1463 ( 3095 PWs) bands (ev): -73.2591 -73.2591 -42.0720 -42.0720 -37.6005 -37.6005 -37.5977 -37.5977 5.4456 5.4456 7.2586 7.2586 7.5196 7.5196 8.3192 8.3192 8.5729 8.5729 8.8212 8.8212 9.3290 9.3290 10.2612 10.2612 12.1722 12.1722 12.9846 12.9846 13.3571 13.3571 13.4833 13.4833 13.5658 13.5658 k =-0.0525 0.1222 0.1330 ( 3095 PWs) bands (ev): -73.2592 -73.2592 -42.0719 -42.0719 -37.6001 -37.6001 -37.5977 -37.5977 5.4033 5.4033 7.2511 7.2511 7.4983 7.4983 8.3489 8.3489 8.5781 8.5781 8.8346 8.8346 9.2746 9.2746 10.2281 10.2281 12.2377 12.2377 12.9644 12.9644 13.3948 13.3948 13.5146 13.5146 13.6171 13.6171 k =-0.0473 0.1100 0.1197 ( 3095 PWs) bands (ev): -73.2592 -73.2592 -42.0718 -42.0718 -37.5998 -37.5998 -37.5977 -37.5977 5.3648 5.3648 7.2436 7.2436 7.4794 7.4794 8.3778 8.3778 8.5831 8.5831 8.8472 8.8472 9.2232 9.2232 10.1974 10.1974 12.2992 12.2992 12.9464 12.9464 13.4308 13.4308 13.5434 13.5434 13.6725 13.6725 k =-0.0420 0.0978 0.1064 ( 3099 PWs) bands (ev): -73.2592 -73.2592 -42.0717 -42.0717 -37.5996 -37.5996 -37.5977 -37.5977 5.3302 5.3302 7.2360 7.2360 7.4628 7.4628 8.4056 8.4056 8.5881 8.5881 8.8588 8.8588 9.1747 9.1747 10.1691 10.1691 12.3558 12.3558 12.9308 12.9308 13.4646 13.4646 13.5701 13.5701 13.7317 13.7317 k =-0.0368 0.0856 0.0931 ( 3099 PWs) bands (ev): -73.2592 -73.2592 -42.0716 -42.0716 -37.5993 -37.5993 -37.5976 -37.5976 5.2996 5.2996 7.2287 7.2287 7.4486 7.4486 8.4317 8.4317 8.5934 8.5934 8.8696 8.8696 9.1295 9.1295 10.1435 10.1435 12.4067 12.4067 12.9179 12.9179 13.4955 13.4955 13.5950 13.5950 13.7944 13.7944 k =-0.0315 0.0733 0.0798 ( 3109 PWs) bands (ev): -73.2593 -73.2593 -42.0715 -42.0715 -37.5992 -37.5992 -37.5976 -37.5976 5.2729 5.2729 7.2216 7.2216 7.4366 7.4366 8.4557 8.4557 8.5993 8.5993 8.8791 8.8791 9.0877 9.0877 10.1209 10.1209 12.4510 12.4510 12.9078 12.9078 13.5229 13.5229 13.6178 13.6178 13.8606 13.8606 k =-0.0263 0.0611 0.0665 ( 3109 PWs) bands (ev): -73.2593 -73.2593 -42.0715 -42.0715 -37.5990 -37.5990 -37.5975 -37.5975 5.2503 5.2503 7.2153 7.2153 7.4267 7.4267 8.4767 8.4767 8.6060 8.6060 8.8878 8.8878 9.0496 9.0496 10.1013 10.1013 12.4884 12.4884 12.9005 12.9005 13.5465 13.5465 13.6384 13.6384 13.9300 13.9300 k =-0.0210 0.0489 0.0532 ( 3113 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5990 -37.5990 -37.5974 -37.5974 5.2317 5.2317 7.2098 7.2098 7.4189 7.4189 8.4943 8.4943 8.6135 8.6135 8.8956 8.8956 9.0156 9.0156 10.0850 10.0850 12.5185 12.5185 12.8958 12.8958 13.5659 13.5659 13.6563 13.6563 14.0022 14.0022 k =-0.0158 0.0367 0.0399 ( 3113 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5989 -37.5989 -37.5974 -37.5974 5.2172 5.2172 7.2053 7.2053 7.4129 7.4129 8.5078 8.5078 8.6214 8.6214 8.9027 8.9027 8.9862 8.9862 10.0722 10.0722 12.5413 12.5413 12.8931 12.8931 13.5811 13.5811 13.6709 13.6709 14.0755 14.0755 k =-0.0105 0.0244 0.0266 ( 3119 PWs) bands (ev): -73.2593 -73.2593 -42.0714 -42.0714 -37.5989 -37.5989 -37.5973 -37.5973 5.2069 5.2069 7.2019 7.2019 7.4088 7.4088 8.5171 8.5171 8.6288 8.6288 8.9097 8.9097 8.9619 8.9619 10.0629 10.0629 12.5571 12.5571 12.8919 12.8919 13.5919 13.5919 13.6818 13.6818 14.1456 14.1456 k =-0.0053 0.0122 0.0133 ( 3129 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2006 5.2006 7.1999 7.1999 7.4063 7.4063 8.5224 8.5224 8.6341 8.6341 8.9174 8.9174 8.9431 8.9431 10.0573 10.0573 12.5663 12.5663 12.8915 12.8915 13.5983 13.5983 13.6885 13.6885 14.2008 14.2008 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -73.2594 -73.2594 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.1986 5.1986 7.1991 7.1991 7.4054 7.4054 8.5242 8.5242 8.6361 8.6361 8.9244 8.9244 8.9322 8.9322 10.0555 10.0555 12.5693 12.5693 12.8914 12.8914 13.6005 13.6005 13.6908 13.6908 14.2222 14.2222 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -73.2594 -73.2594 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.1986 5.1986 7.1991 7.1991 7.4054 7.4054 8.5242 8.5242 8.6361 8.6361 8.9244 8.9244 8.9322 8.9322 10.0555 10.0555 12.5693 12.5693 12.8914 12.8914 13.6005 13.6005 13.6908 13.6908 14.2222 14.2222 k = 0.0172 0.0074 0.0000 ( 3125 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2006 5.2006 7.1986 7.1986 7.4045 7.4045 8.5242 8.5242 8.6361 8.6361 8.9245 8.9245 8.9294 8.9294 10.0574 10.0574 12.5659 12.5659 12.8898 12.8898 13.5897 13.5897 13.6804 13.6804 14.2351 14.2351 k = 0.0345 0.0148 0.0000 ( 3129 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2065 5.2065 7.1970 7.1970 7.4016 7.4016 8.5240 8.5240 8.6360 8.6360 8.9210 8.9210 8.9246 8.9246 10.0631 10.0631 12.5556 12.5556 12.8848 12.8848 13.5596 13.5596 13.6514 13.6514 14.2713 14.2713 k = 0.0517 0.0222 0.0000 ( 3129 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2165 5.2165 7.1945 7.1945 7.3970 7.3970 8.5236 8.5236 8.6358 8.6358 8.9071 8.9071 8.9248 8.9248 10.0726 10.0726 12.5390 12.5390 12.8764 12.8764 13.5157 13.5157 13.6087 13.6087 14.3248 14.3248 k = 0.0690 0.0296 0.0000 ( 3121 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2304 5.2304 7.1909 7.1909 7.3906 7.3906 8.5231 8.5231 8.6356 8.6356 8.8877 8.8877 8.9251 8.9251 10.0858 10.0858 12.5165 12.5165 12.8649 12.8649 13.4633 13.4633 13.5570 13.5570 14.3884 14.3884 k = 0.0862 0.0370 0.0000 ( 3109 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2482 5.2482 7.1865 7.1865 7.3826 7.3826 8.5225 8.5225 8.6353 8.6353 8.8626 8.8626 8.9255 8.9255 10.1026 10.1026 12.4890 12.4890 12.8501 12.8501 13.4062 13.4062 13.5003 13.5003 14.4517 14.4517 k = 0.1034 0.0444 0.0000 ( 3101 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2699 5.2699 7.1812 7.1812 7.3731 7.3731 8.5217 8.5217 8.6349 8.6349 8.8321 8.8321 8.9259 8.9259 10.1228 10.1228 12.4573 12.4573 12.8322 12.8322 13.3469 13.3469 13.4411 13.4411 14.5008 14.5008 k = 0.1207 0.0518 0.0000 ( 3093 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.2955 5.2955 7.1752 7.1752 7.3622 7.3622 8.5209 8.5209 8.6345 8.6345 8.7962 8.7962 8.9264 8.9264 10.1465 10.1465 12.4223 12.4223 12.8112 12.8112 13.2870 13.2870 13.3810 13.3810 14.5388 14.5389 k = 0.1379 0.0593 0.0000 ( 3085 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.3247 5.3247 7.1684 7.1684 7.3500 7.3500 8.5199 8.5199 8.6340 8.6340 8.7549 8.7549 8.9269 8.9269 10.1732 10.1732 12.3849 12.3849 12.7873 12.7873 13.2276 13.2276 13.3213 13.3213 14.5752 14.5752 k = 0.1552 0.0667 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.3577 5.3577 7.1611 7.1611 7.3369 7.3369 8.5186 8.5186 8.6335 8.6335 8.7084 8.7084 8.9275 8.9275 10.2030 10.2030 12.3461 12.3461 12.7607 12.7607 13.1694 13.1694 13.2626 13.2626 14.6129 14.6129 k = 0.1724 0.0741 0.0000 ( 3073 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.3942 5.3942 7.1532 7.1532 7.3229 7.3229 8.5171 8.5171 8.6330 8.6330 8.6571 8.6571 8.9282 8.9282 10.2355 10.2355 12.3066 12.3066 12.7314 12.7314 13.1129 13.1129 13.2055 13.2055 14.6526 14.6526 k = 0.1897 0.0815 0.0000 ( 3073 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.4342 5.4342 7.1450 7.1450 7.3083 7.3083 8.5150 8.5150 8.6014 8.6014 8.6323 8.6323 8.9288 8.9288 10.2706 10.2706 12.2671 12.2671 12.6996 12.6996 13.0583 13.0583 13.1503 13.1503 14.6944 14.6944 k = 0.2069 0.0889 0.0000 ( 3069 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.4775 5.4775 7.1365 7.1365 7.2932 7.2932 8.5089 8.5089 8.5450 8.5450 8.6318 8.6318 8.9295 8.9295 10.3080 10.3080 12.2283 12.2283 12.6656 12.6656 13.0060 13.0060 13.0974 13.0974 14.7380 14.7380 k = 0.2241 0.0963 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.5240 5.5240 7.1278 7.1278 7.2780 7.2780 8.4674 8.4674 8.5196 8.5196 8.6311 8.6311 8.9302 8.9302 10.3474 10.3474 12.1906 12.1906 12.6295 12.6295 12.9561 12.9561 13.0469 13.0469 14.7829 14.7829 k = 0.2414 0.1037 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.5735 5.5735 7.1191 7.1191 7.2628 7.2628 8.4003 8.4003 8.5159 8.5159 8.6304 8.6304 8.9309 8.9309 10.3885 10.3885 12.1545 12.1545 12.5916 12.5916 12.9089 12.9089 12.9989 12.9989 14.8287 14.8287 k = 0.2586 0.1111 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.6258 5.6258 7.1105 7.1105 7.2479 7.2479 8.3278 8.3278 8.5140 8.5140 8.6298 8.6298 8.9317 8.9317 10.4311 10.4311 12.1204 12.1204 12.5523 12.5523 12.8643 12.8643 12.9537 12.9537 14.8264 14.8264 k = 0.2759 0.1185 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.6807 5.6807 7.1020 7.1020 7.2335 7.2335 8.2519 8.2519 8.5125 8.5125 8.6292 8.6292 8.9324 8.9324 10.4748 10.4748 12.0885 12.0885 12.5117 12.5117 12.8225 12.8225 12.9113 12.9113 14.8092 14.8092 k = 0.2931 0.1259 0.0000 ( 3085 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5988 -37.5988 -37.5973 -37.5973 5.7377 5.7377 7.0937 7.0937 7.2199 7.2199 8.1731 8.1731 8.5111 8.5111 8.6286 8.6286 8.9331 8.9331 10.5192 10.5192 12.0588 12.0588 12.4702 12.4702 12.7836 12.7836 12.8718 12.8718 14.7928 14.7928 k = 0.3103 0.1333 0.0000 ( 3085 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 5.7966 5.7966 7.0858 7.0858 7.2074 7.2074 8.0923 8.0923 8.5099 8.5099 8.6281 8.6281 8.9339 8.9339 10.5638 10.5638 12.0316 12.0316 12.4283 12.4283 12.7477 12.7477 12.8352 12.8352 14.7771 14.7771 k = 0.3276 0.1407 0.0000 ( 3089 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 5.8568 5.8568 7.0783 7.0783 7.1961 7.1961 8.0101 8.0101 8.5088 8.5088 8.6275 8.6275 8.9346 8.9346 10.6083 10.6083 12.0069 12.0069 12.3864 12.3864 12.7147 12.7147 12.8016 12.8016 14.7624 14.7624 k = 0.3448 0.1481 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 5.9178 5.9178 7.0713 7.0713 7.1866 7.1866 7.9271 7.9271 8.5079 8.5079 8.6271 8.6271 8.9353 8.9353 10.6522 10.6522 11.9847 11.9847 12.3450 12.3450 12.6848 12.6848 12.7712 12.7712 14.7488 14.7488 k = 0.3621 0.1555 0.0000 ( 3081 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 5.9789 5.9789 7.0649 7.0649 7.1792 7.1792 7.8441 7.8441 8.5070 8.5070 8.6267 8.6267 8.9359 8.9359 10.6947 10.6947 11.9650 11.9650 12.3046 12.3046 12.6579 12.6579 12.7438 12.7438 14.7363 14.7363 k = 0.3793 0.1629 0.0000 ( 3061 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.0392 6.0392 7.0591 7.0591 7.1743 7.1743 7.7620 7.7620 8.5063 8.5063 8.6264 8.6264 8.9366 8.9366 10.7352 10.7352 11.9479 11.9479 12.2660 12.2660 12.6341 12.6341 12.7195 12.7195 14.7251 14.7251 k = 0.3966 0.1704 0.0000 ( 3061 PWs) bands (ev): -73.2592 -73.2592 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.0974 6.0974 7.0539 7.0539 7.1723 7.1723 7.6818 7.6818 8.5056 8.5056 8.6261 8.6261 8.9371 8.9371 10.7730 10.7730 11.9331 11.9331 12.2299 12.2299 12.6135 12.6135 12.6985 12.6985 14.7153 14.7153 k = 0.4138 0.1778 0.0000 ( 3069 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.1521 6.1521 7.0494 7.0494 7.1740 7.1740 7.6046 7.6046 8.5049 8.5049 8.6257 8.6257 8.9375 8.9375 10.8072 10.8072 11.9206 11.9206 12.1971 12.1971 12.5960 12.5960 12.6806 12.6806 14.7068 14.7068 k = 0.4310 0.1852 0.0000 ( 3062 PWs) bands (ev): -73.2592 -73.2592 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.2015 6.2015 7.0457 7.0457 7.1801 7.1801 7.5317 7.5317 8.5045 8.5045 8.6255 8.6255 8.9379 8.9379 10.8370 10.8370 11.9106 11.9106 12.1685 12.1685 12.5816 12.5816 12.6659 12.6659 14.6998 14.6998 k = 0.4483 0.1926 0.0000 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.2434 6.2434 7.0428 7.0428 7.1911 7.1911 7.4649 7.4649 8.5041 8.5041 8.6253 8.6253 8.9382 8.9382 10.8614 10.8614 11.9028 11.9028 12.1450 12.1450 12.5704 12.5704 12.6545 12.6545 14.6944 14.6944 k = 0.4655 0.2000 0.0000 ( 3050 PWs) bands (ev): -73.2592 -73.2592 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.2758 6.2758 7.0407 7.0407 7.2071 7.2071 7.4068 7.4068 8.5039 8.5039 8.6253 8.6253 8.9385 8.9385 10.8796 10.8796 11.8973 11.8973 12.1274 12.1274 12.5625 12.5625 12.6464 12.6464 14.6904 14.6904 k = 0.4828 0.2074 0.0000 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.2962 6.2962 7.0394 7.0394 7.2254 7.2254 7.3619 7.3619 8.5037 8.5037 8.6251 8.6251 8.9386 8.9386 10.8909 10.8909 11.8939 11.8939 12.1166 12.1166 12.5577 12.5577 12.6415 12.6415 14.6880 14.6880 k = 0.5000 0.2148 0.0000 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3032 6.3032 7.0389 7.0389 7.2355 7.2355 7.3429 7.3429 8.5036 8.5036 8.6251 8.6251 8.9386 8.9386 10.8947 10.8947 11.8928 11.8928 12.1129 12.1129 12.5561 12.5561 12.6398 12.6398 14.6873 14.6873 k = 0.5000 0.2148 0.0000 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3032 6.3032 7.0389 7.0389 7.2355 7.2355 7.3429 7.3429 8.5036 8.5036 8.6251 8.6251 8.9386 8.9386 10.8947 10.8947 11.8928 11.8928 12.1129 12.1129 12.5561 12.5561 12.6398 12.6398 14.6873 14.6873 k = 0.4948 0.2268 0.0131 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3045 6.3045 7.0398 7.0398 7.2364 7.2364 7.3436 7.3436 8.5040 8.5040 8.6251 8.6251 8.9377 8.9377 10.8945 10.8945 11.8926 11.8926 12.1149 12.1149 12.5576 12.5576 12.6411 12.6411 14.6864 14.6864 k = 0.4897 0.2388 0.0261 ( 3060 PWs) bands (ev): -73.2592 -73.2592 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3083 6.3083 7.0426 7.0426 7.2392 7.2392 7.3457 7.3457 8.5051 8.5051 8.6253 8.6253 8.9349 8.9349 10.8940 10.8940 11.8919 11.8919 12.1209 12.1209 12.5620 12.5620 12.6451 12.6451 14.6839 14.6839 k = 0.4845 0.2508 0.0392 ( 3060 PWs) bands (ev): -73.2592 -73.2592 -42.0714 -42.0714 -37.5989 -37.5989 -37.5974 -37.5974 6.3147 6.3147 7.0470 7.0470 7.2437 7.2437 7.3492 7.3492 8.5068 8.5068 8.6255 8.6255 8.9304 8.9304 10.8932 10.8932 11.8907 11.8907 12.1307 12.1307 12.5690 12.5690 12.6519 12.6519 14.6798 14.6798 k = 0.4794 0.2628 0.0523 ( 3064 PWs) bands (ev): -73.2592 -73.2592 -42.0714 -42.0714 -37.5990 -37.5990 -37.5974 -37.5974 6.3235 6.3235 7.0533 7.0533 7.2501 7.2501 7.3540 7.3540 8.5090 8.5090 8.6261 8.6261 8.9242 8.9242 10.8921 10.8921 11.8891 11.8891 12.1444 12.1444 12.5782 12.5782 12.6618 12.6618 14.6740 14.6740 k = 0.4742 0.2748 0.0653 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0715 -42.0715 -37.5991 -37.5991 -37.5975 -37.5975 6.3348 6.3348 7.0613 7.0613 7.2580 7.2580 7.3600 7.3600 8.5115 8.5115 8.6272 8.6272 8.9166 8.9166 10.8909 10.8909 11.8871 11.8871 12.1618 12.1618 12.5889 12.5889 12.6752 12.6752 14.6666 14.6666 k = 0.4691 0.2868 0.0784 ( 3068 PWs) bands (ev): -73.2592 -73.2592 -42.0715 -42.0715 -37.5992 -37.5992 -37.5976 -37.5976 6.3483 6.3483 7.0712 7.0712 7.2675 7.2675 7.3672 7.3672 8.5141 8.5141 8.6294 8.6294 8.9078 8.9078 10.8897 10.8897 11.8848 11.8848 12.1828 12.1828 12.6006 12.6006 12.6926 12.6926 14.6577 14.6577 k = 0.4639 0.2988 0.0915 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0716 -42.0716 -37.5994 -37.5994 -37.5977 -37.5977 6.3641 6.3641 7.0829 7.0829 7.2783 7.2783 7.3757 7.3757 8.5164 8.5164 8.6327 8.6327 8.8982 8.8982 10.8886 10.8886 11.8820 11.8820 12.2071 12.2071 12.6126 12.6126 12.7140 12.7140 14.6472 14.6472 k = 0.4587 0.3108 0.1045 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0717 -42.0717 -37.5996 -37.5996 -37.5977 -37.5977 6.3819 6.3819 7.0963 7.0963 7.2902 7.2902 7.3853 7.3853 8.5180 8.5180 8.6378 8.6378 8.8884 8.8884 10.8877 10.8877 11.8789 11.8789 12.2347 12.2347 12.6244 12.6244 12.7397 12.7397 14.6352 14.6352 k = 0.4536 0.3228 0.1176 ( 3084 PWs) bands (ev): -73.2592 -73.2592 -42.0718 -42.0718 -37.5998 -37.5998 -37.5977 -37.5977 6.4017 6.4017 7.1117 7.1117 7.3026 7.3026 7.3962 7.3962 8.5184 8.5184 8.6443 8.6443 8.8790 8.8790 10.8872 10.8872 11.8755 11.8755 12.2652 12.2652 12.6359 12.6359 12.7693 12.7693 14.6217 14.6217 k = 0.4484 0.3349 0.1307 ( 3080 PWs) bands (ev): -73.2592 -73.2592 -42.0719 -42.0719 -37.6001 -37.6001 -37.5977 -37.5977 6.4232 6.4232 7.1289 7.1289 7.3152 7.3152 7.4088 7.4088 8.5175 8.5175 8.6522 8.6522 8.8715 8.8715 10.8873 10.8873 11.8718 11.8718 12.2984 12.2984 12.6469 12.6469 12.8026 12.8026 14.6068 14.6068 k = 0.4433 0.3469 0.1437 ( 3080 PWs) bands (ev): -73.2591 -73.2591 -42.0720 -42.0720 -37.6005 -37.6005 -37.5977 -37.5977 6.4462 6.4462 7.1480 7.1480 7.3273 7.3273 7.4233 7.4233 8.5150 8.5150 8.6601 8.6601 8.8673 8.8673 10.8880 10.8880 11.8679 11.8679 12.3340 12.3340 12.6573 12.6573 12.8392 12.8392 14.5906 14.5906 k = 0.4381 0.3589 0.1568 ( 3084 PWs) bands (ev): -73.2591 -73.2591 -42.0721 -42.0721 -37.6008 -37.6008 -37.5977 -37.5977 6.4706 6.4706 7.1691 7.1691 7.3385 7.3385 7.4400 7.4400 8.5108 8.5108 8.6662 8.6662 8.8687 8.8687 10.8896 10.8896 11.8637 11.8637 12.3718 12.3718 12.6669 12.6669 12.8786 12.8786 14.5729 14.5729 k = 0.4330 0.3709 0.1699 ( 3084 PWs) bands (ev): -73.2591 -73.2591 -42.0723 -42.0723 -37.6013 -37.6013 -37.5977 -37.5977 6.4960 6.4960 7.1920 7.1920 7.3483 7.3483 7.4592 7.4592 8.5054 8.5054 8.6685 8.6685 8.8780 8.8780 10.8922 10.8922 11.8593 11.8593 12.4112 12.4112 12.6756 12.6756 12.9204 12.9204 14.5539 14.5539 k = 0.4278 0.3829 0.1829 ( 3086 PWs) bands (ev): -73.2590 -73.2590 -42.0724 -42.0724 -37.6017 -37.6017 -37.5977 -37.5977 6.5222 6.5222 7.2168 7.2168 7.3567 7.3567 7.4810 7.4810 8.4987 8.4987 8.6658 8.6658 8.8965 8.8965 10.8959 10.8959 11.8547 11.8547 12.4520 12.4520 12.6832 12.6832 12.9642 12.9642 14.5334 14.5334 k = 0.4226 0.3949 0.1960 ( 3082 PWs) bands (ev): -73.2590 -73.2590 -42.0725 -42.0725 -37.6022 -37.6022 -37.5976 -37.5976 6.5489 6.5489 7.2432 7.2432 7.3641 7.3641 7.5051 7.5051 8.4908 8.4908 8.6583 8.6583 8.9244 8.9244 10.9008 10.9008 11.8500 11.8500 12.4937 12.4937 12.6894 12.6894 13.0094 13.0094 14.5097 14.5097 k = 0.4175 0.4069 0.2091 ( 3078 PWs) bands (ev): -73.2590 -73.2590 -42.0727 -42.0727 -37.6027 -37.6027 -37.5976 -37.5976 6.5758 6.5758 7.2702 7.2702 7.3715 7.3715 7.5314 7.5314 8.4819 8.4819 8.6471 8.6471 8.9605 8.9605 10.9071 10.9071 11.8451 11.8451 12.5359 12.5359 12.6940 12.6940 13.0558 13.0558 14.4568 14.4568 k = 0.4123 0.4189 0.2221 ( 3078 PWs) bands (ev): -73.2589 -73.2589 -42.0729 -42.0729 -37.6032 -37.6032 -37.5975 -37.5975 6.6027 6.6027 7.2958 7.2958 7.3812 7.3812 7.5595 7.5595 8.4720 8.4720 8.6332 8.6332 9.0038 9.0038 10.9147 10.9147 11.8401 11.8401 12.5779 12.5779 12.6968 12.6968 13.1025 13.1025 14.3746 14.3746 k = 0.4072 0.4309 0.2352 ( 3074 PWs) bands (ev): -73.2589 -73.2589 -42.0730 -42.0730 -37.6038 -37.6038 -37.5975 -37.5975 6.6293 6.6293 7.3162 7.3162 7.3975 7.3975 7.5894 7.5894 8.4612 8.4612 8.6178 8.6178 9.0532 9.0532 10.9238 10.9238 11.8350 11.8350 12.6190 12.6190 12.6975 12.6975 13.1491 13.1491 14.2913 14.2913 k = 0.4020 0.4429 0.2483 ( 3078 PWs) bands (ev): -73.2589 -73.2589 -42.0732 -42.0732 -37.6043 -37.6043 -37.5974 -37.5974 6.6553 6.6553 7.3279 7.3279 7.4237 7.4237 7.6206 7.6206 8.4495 8.4495 8.6017 8.6017 9.1079 9.1079 10.9343 10.9343 11.8297 11.8297 12.6584 12.6584 12.6963 12.6963 13.1947 13.1947 14.2097 14.2097 k = 0.3968 0.4549 0.2613 ( 3086 PWs) bands (ev): -73.2588 -73.2588 -42.0734 -42.0734 -37.6049 -37.6049 -37.5973 -37.5973 6.6805 6.6805 7.3322 7.3322 7.4590 7.4590 7.6530 7.6530 8.4370 8.4370 8.5853 8.5853 9.1674 9.1674 10.9463 10.9463 11.8243 11.8243 12.6865 12.6865 12.7015 12.7015 13.2387 13.2387 14.1307 14.1307 k = 0.3917 0.4669 0.2744 ( 3084 PWs) bands (ev): -73.2588 -73.2588 -42.0735 -42.0735 -37.6055 -37.6055 -37.5973 -37.5973 6.7047 6.7047 7.3321 7.3321 7.5005 7.5005 7.6865 7.6865 8.4238 8.4238 8.5693 8.5693 9.2311 9.2311 10.9596 10.9596 11.8187 11.8187 12.6824 12.6824 12.7334 12.7334 13.2798 13.2798 14.0554 14.0554 k = 0.3865 0.4789 0.2875 ( 3090 PWs) bands (ev): -73.2588 -73.2588 -42.0737 -42.0737 -37.6061 -37.6061 -37.5972 -37.5972 6.7279 6.7279 7.3294 7.3294 7.5465 7.5465 7.7208 7.7208 8.4100 8.4100 8.5537 8.5537 9.2985 9.2985 10.9743 10.9743 11.8128 11.8128 12.6725 12.6725 12.7641 12.7641 13.3171 13.3171 13.9845 13.9845 k = 0.3814 0.4909 0.3005 ( 3086 PWs) bands (ev): -73.2587 -73.2587 -42.0739 -42.0739 -37.6067 -37.6067 -37.5971 -37.5971 6.7498 6.7498 7.3251 7.3251 7.5959 7.5959 7.7559 7.7559 8.3958 8.3958 8.5389 8.5389 9.3691 9.3691 10.9903 10.9903 11.8065 11.8065 12.6595 12.6595 12.7903 12.7903 13.3492 13.3492 13.9189 13.9189 k = 0.3762 0.5029 0.3136 ( 3084 PWs) bands (ev): -73.2587 -73.2587 -42.0741 -42.0741 -37.6073 -37.6073 -37.5971 -37.5971 6.7705 6.7705 7.3197 7.3197 7.6480 7.6480 7.7917 7.7917 8.3814 8.3814 8.5250 8.5250 9.4425 9.4425 11.0075 11.0075 11.7995 11.7995 12.6433 12.6433 12.8110 12.8110 13.3748 13.3748 13.8595 13.8595 k = 0.3711 0.5149 0.3267 ( 3088 PWs) bands (ev): -73.2586 -73.2586 -42.0743 -42.0743 -37.6079 -37.6079 -37.5970 -37.5970 6.7900 6.7900 7.3137 7.3137 7.7023 7.7023 7.8279 7.8279 8.3670 8.3670 8.5121 8.5121 9.5181 9.5181 11.0256 11.0256 11.7917 11.7917 12.6244 12.6244 12.8251 12.8251 13.3926 13.3926 13.8067 13.8067 k = 0.3659 0.5269 0.3397 ( 3090 PWs) bands (ev): -73.2586 -73.2586 -42.0744 -42.0744 -37.6085 -37.6085 -37.5969 -37.5969 6.8081 6.8081 7.3072 7.3072 7.7579 7.7579 7.8648 7.8648 8.3532 8.3532 8.5002 8.5002 9.5956 9.5956 11.0446 11.0446 11.7824 11.7824 12.6030 12.6030 12.8322 12.8322 13.4017 13.4017 13.7610 13.7610 k = 0.3607 0.5389 0.3528 ( 3082 PWs) bands (ev): -73.2586 -73.2586 -42.0746 -42.0746 -37.6091 -37.6091 -37.5969 -37.5969 6.8251 6.8251 7.3006 7.3006 7.8141 7.8141 7.9023 7.9023 8.3403 8.3403 8.4894 8.4894 9.6744 9.6744 11.0643 11.0643 11.7714 11.7714 12.5798 12.5798 12.8319 12.8319 13.4017 13.4017 13.7220 13.7220 k = 0.3556 0.5510 0.3659 ( 3088 PWs) bands (ev): -73.2585 -73.2585 -42.0748 -42.0748 -37.6097 -37.6097 -37.5968 -37.5968 6.8409 6.8409 7.2938 7.2938 7.8693 7.8693 7.9408 7.9408 8.3291 8.3291 8.4797 8.4797 9.7540 9.7540 11.0846 11.0846 11.7577 11.7577 12.5554 12.5554 12.8244 12.8244 13.3927 13.3927 13.6892 13.6892 k = 0.3504 0.5630 0.3789 ( 3092 PWs) bands (ev): -73.2585 -73.2585 -42.0750 -42.0750 -37.6103 -37.6103 -37.5967 -37.5967 6.8556 6.8556 7.2871 7.2871 7.9215 7.9215 7.9809 7.9809 8.3208 8.3208 8.4712 8.4712 9.8339 9.8339 11.1053 11.1053 11.7406 11.7406 12.5309 12.5309 12.8105 12.8105 13.3754 13.3754 13.6615 13.6615 k = 0.3453 0.5750 0.3920 ( 3100 PWs) bands (ev): -73.2585 -73.2585 -42.0751 -42.0751 -37.6109 -37.6109 -37.5967 -37.5967 6.8692 6.8692 7.2807 7.2807 7.9685 7.9685 8.0224 8.0224 8.3169 8.3169 8.4641 8.4641 9.9136 9.9136 11.1263 11.1263 11.7190 11.7190 12.5074 12.5074 12.7911 12.7911 13.3509 13.3509 13.6378 13.6378 k = 0.3401 0.5870 0.4051 ( 3100 PWs) bands (ev): -73.2584 -73.2584 -42.0753 -42.0753 -37.6115 -37.6115 -37.5966 -37.5966 6.8819 6.8819 7.2746 7.2746 8.0098 8.0098 8.0627 8.0627 8.3204 8.3204 8.4586 8.4586 9.9924 9.9924 11.1475 11.1475 11.6920 11.6920 12.4863 12.4863 12.7675 12.7675 13.3204 13.3204 13.6169 13.6169 k = 0.3350 0.5990 0.4181 ( 3100 PWs) bands (ev): -73.2584 -73.2584 -42.0755 -42.0755 -37.6120 -37.6120 -37.5965 -37.5965 6.8938 6.8938 7.2690 7.2690 8.0465 8.0465 8.0961 8.0961 8.3344 8.3344 8.4555 8.4555 10.0699 10.0699 11.1687 11.1687 11.6585 11.6585 12.4689 12.4689 12.7412 12.7412 13.2850 13.2850 13.5979 13.5979 k = 0.3298 0.6110 0.4312 ( 3096 PWs) bands (ev): -73.2584 -73.2584 -42.0756 -42.0756 -37.6125 -37.6125 -37.5965 -37.5965 6.9049 6.9049 7.2640 7.2640 8.0799 8.0799 8.1184 8.1184 8.3597 8.3597 8.4564 8.4564 10.1454 10.1454 11.1898 11.1898 11.6181 11.6181 12.4564 12.4564 12.7133 12.7133 13.2459 13.2459 13.5797 13.5797 k = 0.3246 0.6230 0.4443 ( 3098 PWs) bands (ev): -73.2583 -73.2583 -42.0758 -42.0758 -37.6131 -37.6131 -37.5964 -37.5964 6.9153 6.9153 7.2596 7.2596 8.1103 8.1103 8.1297 8.1297 8.3899 8.3899 8.4667 8.4667 10.2182 10.2182 11.2107 11.2107 11.5703 11.5703 12.4495 12.4495 12.6850 12.6850 13.2043 13.2043 13.5618 13.5618 k = 0.3195 0.6350 0.4573 ( 3090 PWs) bands (ev): -73.2583 -73.2583 -42.0759 -42.0759 -37.6135 -37.6135 -37.5963 -37.5963 6.9252 6.9252 7.2560 7.2560 8.1321 8.1321 8.1394 8.1394 8.4110 8.4110 8.4965 8.4965 10.2879 10.2879 11.2310 11.2310 11.5158 11.5158 12.4487 12.4487 12.6570 12.6570 13.1611 13.1611 13.5435 13.5435 k = 0.3143 0.6470 0.4704 ( 3092 PWs) bands (ev): -73.2583 -73.2583 -42.0761 -42.0761 -37.6140 -37.6140 -37.5963 -37.5963 6.9344 6.9344 7.2531 7.2531 8.1315 8.1315 8.1641 8.1641 8.4205 8.4205 8.5444 8.5444 10.3536 10.3536 11.2496 11.2496 11.4562 11.4562 12.4540 12.4540 12.6301 12.6301 13.1171 13.1171 13.5246 13.5246 k = 0.3092 0.6590 0.4835 ( 3086 PWs) bands (ev): -73.2582 -73.2582 -42.0762 -42.0762 -37.6144 -37.6144 -37.5962 -37.5962 6.9433 6.9433 7.2510 7.2510 8.1282 8.1282 8.1866 8.1866 8.4257 8.4257 8.6002 8.6002 10.4151 10.4151 11.2625 11.2625 11.3965 11.3965 12.4653 12.4653 12.6044 12.6044 13.0731 13.0731 13.5051 13.5051 k = 0.3040 0.6710 0.4965 ( 3086 PWs) bands (ev): -73.2582 -73.2582 -42.0763 -42.0763 -37.6148 -37.6148 -37.5962 -37.5962 6.9517 6.9517 7.2499 7.2499 8.1237 8.1237 8.2063 8.2063 8.4302 8.4302 8.6586 8.6586 10.4716 10.4716 11.2521 11.2521 11.3555 11.3555 12.4821 12.4821 12.5803 12.5803 13.0296 13.0296 13.4851 13.4851 k = 0.2989 0.6830 0.5096 ( 3086 PWs) bands (ev): -73.2582 -73.2582 -42.0764 -42.0764 -37.6152 -37.6152 -37.5961 -37.5961 6.9599 6.9599 7.2497 7.2497 8.1190 8.1190 8.2230 8.2230 8.4350 8.4350 8.7170 8.7170 10.5228 10.5228 11.1992 11.1992 11.3541 11.3541 12.5039 12.5039 12.5574 12.5574 12.9871 12.9871 13.4649 13.4649 k = 0.2937 0.6950 0.5227 ( 3092 PWs) bands (ev): -73.2582 -73.2582 -42.0765 -42.0765 -37.6155 -37.6155 -37.5961 -37.5961 6.9677 6.9677 7.2504 7.2504 8.1145 8.1145 8.2369 8.2369 8.4401 8.4401 8.7739 8.7739 10.5682 10.5682 11.1262 11.1262 11.3712 11.3712 12.5298 12.5298 12.5359 12.5359 12.9461 12.9461 13.4450 13.4450 k = 0.2885 0.7070 0.5357 ( 3090 PWs) bands (ev): -73.2581 -73.2581 -42.0766 -42.0766 -37.6158 -37.6158 -37.5961 -37.5961 6.9753 6.9753 7.2523 7.2523 8.1106 8.1106 8.2482 8.2482 8.4454 8.4454 8.8281 8.8281 10.6073 10.6073 11.0480 11.0480 11.3941 11.3941 12.5136 12.5136 12.5608 12.5608 12.9067 12.9067 13.4260 13.4260 k = 0.2834 0.7190 0.5488 ( 3092 PWs) bands (ev): -73.2581 -73.2581 -42.0767 -42.0767 -37.6161 -37.6161 -37.5960 -37.5960 6.9827 6.9827 7.2551 7.2551 8.1073 8.1073 8.2571 8.2571 8.4503 8.4503 8.8787 8.8787 10.6392 10.6392 10.9700 10.9700 11.4197 11.4197 12.4915 12.4915 12.5949 12.5949 12.8693 12.8693 13.4083 13.4083 k = 0.2782 0.7310 0.5619 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0767 -42.0767 -37.6163 -37.6163 -37.5960 -37.5960 6.9899 6.9899 7.2590 7.2590 8.1050 8.1050 8.2639 8.2639 8.4544 8.4544 8.9246 8.9246 10.6621 10.6621 10.8964 10.8964 11.4473 11.4473 12.4680 12.4680 12.6323 12.6323 12.8340 12.8340 13.3924 13.3924 k = 0.2731 0.7430 0.5749 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 6.9970 6.9970 7.2640 7.2640 8.1036 8.1036 8.2688 8.2688 8.4570 8.4570 8.9648 8.9648 10.6708 10.6708 10.8347 10.8347 11.4766 11.4766 12.4423 12.4423 12.6725 12.6725 12.8012 12.8012 13.3787 13.3787 k = 0.2731 0.7430 0.5749 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6165 -37.6165 -37.5960 -37.5960 6.9970 6.9970 7.2640 7.2640 8.1036 8.1036 8.2688 8.2688 8.4570 8.4570 8.9648 8.9648 10.6708 10.6708 10.8347 10.8347 11.4766 11.4766 12.4423 12.4423 12.6725 12.6725 12.8012 12.8012 13.3787 13.3787 k = 0.2560 0.7397 0.5786 ( 3092 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6166 -37.6166 -37.5960 -37.5960 6.9986 6.9986 7.2663 7.2663 8.1033 8.1033 8.2704 8.2704 8.4580 8.4580 8.9729 8.9729 10.6603 10.6603 10.8329 10.8329 11.4812 11.4812 12.4397 12.4397 12.6824 12.6824 12.7912 12.7912 13.3744 13.3744 k = 0.2389 0.7363 0.5822 ( 3090 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6166 -37.6166 -37.5960 -37.5960 6.9997 6.9997 7.2701 7.2701 8.1029 8.1029 8.2728 8.2728 8.4600 8.4600 8.9763 8.9763 10.6350 10.6350 10.8514 10.8514 11.4781 11.4781 12.4472 12.4472 12.6882 12.6882 12.7792 12.7792 13.3687 13.3687 k = 0.2219 0.7330 0.5859 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6167 -37.6167 -37.5960 -37.5960 7.0002 7.0002 7.2752 7.2752 8.1025 8.1025 8.2761 8.2761 8.4630 8.4630 8.9751 8.9751 10.6043 10.6043 10.8807 10.8807 11.4676 11.4676 12.4644 12.4644 12.6896 12.6896 12.7657 12.7657 13.3616 13.3616 k = 0.2048 0.7296 0.5895 ( 3089 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6167 -37.6167 -37.5960 -37.5960 7.0000 7.0000 7.2816 7.2816 8.1019 8.1019 8.2801 8.2801 8.4670 8.4670 8.9695 8.9695 10.5738 10.5738 10.9152 10.9152 11.4506 11.4506 12.4902 12.4902 12.6864 12.6864 12.7514 12.7514 13.3533 13.3533 k = 0.1877 0.7263 0.5932 ( 3087 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6167 -37.6167 -37.5960 -37.5960 6.9993 6.9993 7.2891 7.2891 8.1013 8.1013 8.2848 8.2848 8.4720 8.4720 8.9598 8.9598 10.5458 10.5458 10.9521 10.9521 11.4286 11.4286 12.5229 12.5229 12.6787 12.6787 12.7372 12.7372 13.3438 13.3438 k = 0.1707 0.7229 0.5968 ( 3087 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5960 -37.5960 6.9981 6.9981 7.2975 7.2975 8.1007 8.1007 8.2900 8.2900 8.4781 8.4781 8.9463 8.9463 10.5212 10.5212 10.9900 10.9900 11.4031 11.4031 12.5600 12.5600 12.6675 12.6675 12.7241 12.7241 13.3327 13.3327 k = 0.1536 0.7195 0.6005 ( 3087 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5960 -37.5960 6.9965 6.9965 7.3063 7.3063 8.1000 8.1000 8.2957 8.2957 8.4852 8.4852 8.9296 8.9296 10.5003 10.5003 11.0278 11.0278 11.3756 11.3756 12.5963 12.5963 12.6550 12.6550 12.7146 12.7146 13.3199 13.3199 k = 0.1365 0.7162 0.6041 ( 3088 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5959 -37.5959 6.9948 6.9948 7.3153 7.3153 8.0993 8.0993 8.3014 8.3014 8.4932 8.4932 8.9104 8.9104 10.4831 10.4831 11.0647 11.0647 11.3476 11.3476 12.6153 12.6153 12.6501 12.6501 12.7164 12.7164 13.3050 13.3050 k = 0.1195 0.7128 0.6078 ( 3084 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6168 -37.6168 -37.5959 -37.5959 6.9930 6.9930 7.3243 7.3243 8.0987 8.0987 8.3073 8.3073 8.5023 8.5023 8.8893 8.8893 10.4693 10.4693 11.0998 11.0998 11.3201 11.3201 12.6060 12.6060 12.6508 12.6508 12.7423 12.7423 13.2877 13.2877 k = 0.1024 0.7095 0.6115 ( 3083 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9911 6.9911 7.3328 7.3328 8.0981 8.0981 8.3129 8.3129 8.5122 8.5122 8.8671 8.8671 10.4586 10.4586 11.1321 11.1321 11.2946 11.2946 12.5895 12.5895 12.6436 12.6436 12.7852 12.7852 13.2677 13.2677 k = 0.0853 0.7061 0.6151 ( 3087 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9894 6.9894 7.3406 7.3406 8.0975 8.0975 8.3181 8.3181 8.5227 8.5227 8.8448 8.8448 10.4505 10.4505 11.1606 11.1606 11.2721 11.2721 12.5725 12.5725 12.6336 12.6336 12.8334 12.8334 13.2447 13.2447 k = 0.0683 0.7028 0.6188 ( 3086 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9879 6.9879 7.3474 7.3474 8.0971 8.0971 8.3227 8.3227 8.5334 8.5334 8.8234 8.8234 10.4447 10.4447 11.1835 11.1835 11.2544 11.2544 12.5568 12.5568 12.6238 12.6238 12.8828 12.8828 13.2187 13.2187 k = 0.0512 0.6994 0.6224 ( 3085 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9866 6.9866 7.3530 7.3530 8.0967 8.0967 8.3265 8.3265 8.5436 8.5436 8.8041 8.8041 10.4407 10.4407 11.1978 11.1978 11.2445 11.2445 12.5436 12.5436 12.6154 12.6154 12.9313 12.9313 13.1896 13.1896 k = 0.0341 0.6961 0.6261 ( 3085 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9857 6.9857 7.3571 7.3571 8.0965 8.0965 8.3293 8.3293 8.5525 8.5525 8.7885 8.7885 10.4382 10.4382 11.2008 11.2008 11.2448 11.2448 12.5334 12.5334 12.6091 12.6091 12.9772 12.9772 13.1581 13.1581 k = 0.0171 0.6927 0.6297 ( 3084 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9851 6.9851 7.3596 7.3596 8.0963 8.0963 8.3311 8.3311 8.5586 8.5586 8.7782 8.7782 10.4367 10.4367 11.1985 11.1985 11.2491 11.2491 12.5271 12.5271 12.6052 12.6052 13.0177 13.0177 13.1266 13.1266 k = 0.0000 0.6893 0.6334 ( 3082 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9849 6.9849 7.3605 7.3605 8.0963 8.0963 8.3317 8.3317 8.5608 8.5608 8.7746 8.7746 10.4363 10.4363 11.1972 11.1972 11.2511 11.2511 12.5249 12.5249 12.6038 12.6038 13.0388 13.0388 13.1085 13.1085 k = 0.0000 0.6893 0.6334 ( 3082 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9849 6.9849 7.3605 7.3605 8.0963 8.0963 8.3317 8.3317 8.5608 8.5608 8.7746 8.7746 10.4363 10.4363 11.1972 11.1972 11.2511 11.2511 12.5249 12.5249 12.6038 12.6038 13.0388 13.0388 13.1085 13.1085 k = 0.0052 0.6772 0.6466 ( 3086 PWs) bands (ev): -73.2581 -73.2581 -42.0769 -42.0769 -37.6169 -37.6169 -37.5959 -37.5959 6.9866 6.9866 7.3613 7.3613 8.0944 8.0944 8.3296 8.3296 8.5592 8.5592 8.7799 8.7799 10.4355 10.4355 11.1965 11.1965 11.2505 11.2505 12.5220 12.5220 12.6017 12.6017 13.0311 13.0311 13.1123 13.1123 k = 0.0104 0.6651 0.6598 ( 3082 PWs) bands (ev): -73.2580 -73.2580 -42.0769 -42.0769 -37.6169 -37.6169 -37.5960 -37.5960 6.9916 6.9916 7.3639 7.3639 8.0889 8.0889 8.3239 8.3239 8.5550 8.5550 8.7953 8.7953 10.4334 10.4334 11.1943 11.1943 11.2488 11.2488 12.5133 12.5133 12.5956 12.5956 13.0098 13.0098 13.1232 13.1232 k = 0.0156 0.6530 0.6730 ( 3078 PWs) bands (ev): -73.2580 -73.2580 -42.0770 -42.0770 -37.6169 -37.6169 -37.5961 -37.5961 7.0000 7.0000 7.3682 7.3682 8.0798 8.0798 8.3149 8.3149 8.5486 8.5486 8.8195 8.8195 10.4299 10.4299 11.1904 11.1904 11.2460 11.2460 12.4986 12.4986 12.5863 12.5863 12.9793 12.9793 13.1403 13.1403 k = 0.0208 0.6408 0.6862 ( 3078 PWs) bands (ev): -73.2580 -73.2580 -42.0770 -42.0770 -37.6170 -37.6170 -37.5962 -37.5962 7.0118 7.0118 7.3741 7.3741 8.0672 8.0672 8.3037 8.3037 8.5408 8.5408 8.8509 8.8509 10.4250 10.4250 11.1847 11.1847 11.2421 11.2421 12.4779 12.4779 12.5749 12.5749 12.9437 12.9437 13.1630 13.1630 k = 0.0260 0.6287 0.6993 ( 3084 PWs) bands (ev): -73.2580 -73.2580 -42.0771 -42.0771 -37.6170 -37.6170 -37.5963 -37.5963 7.0268 7.0268 7.3816 7.3816 8.0512 8.0512 8.2909 8.2909 8.5316 8.5316 8.8882 8.8882 10.4188 10.4188 11.1768 11.1768 11.2370 11.2370 12.4508 12.4508 12.5625 12.5625 12.9067 12.9067 13.1907 13.1907 k = 0.0312 0.6166 0.7125 ( 3086 PWs) bands (ev): -73.2580 -73.2580 -42.0771 -42.0771 -37.6170 -37.6170 -37.5965 -37.5965 7.0450 7.0450 7.3907 7.3907 8.0323 8.0323 8.2773 8.2773 8.5215 8.5215 8.9306 8.9306 10.4115 10.4115 11.1666 11.1666 11.2309 11.2309 12.4173 12.4173 12.5502 12.5502 12.8715 12.8715 13.2226 13.2226 k = 0.0365 0.6045 0.7257 ( 3086 PWs) bands (ev): -73.2580 -73.2580 -42.0772 -42.0772 -37.6171 -37.6171 -37.5966 -37.5966 7.0663 7.0663 7.4012 7.4012 8.0108 8.0108 8.2631 8.2631 8.5103 8.5103 8.9772 8.9772 10.4032 10.4032 11.1538 11.1538 11.2237 11.2237 12.3772 12.3772 12.5385 12.5385 12.8403 12.8403 13.2582 13.2582 k = 0.0417 0.5924 0.7389 ( 3086 PWs) bands (ev): -73.2580 -73.2580 -42.0773 -42.0773 -37.6171 -37.6171 -37.5968 -37.5968 7.0907 7.0907 7.4131 7.4131 7.9871 7.9871 8.2487 8.2487 8.4980 8.4980 9.0276 9.0276 10.3938 10.3938 11.1381 11.1381 11.2155 11.2155 12.3304 12.3304 12.5281 12.5281 12.8153 12.8153 13.2970 13.2970 k = 0.0469 0.5802 0.7521 ( 3080 PWs) bands (ev): -73.2580 -73.2580 -42.0774 -42.0774 -37.6172 -37.6172 -37.5971 -37.5971 7.1181 7.1181 7.4263 7.4263 7.9617 7.9617 8.2341 8.2341 8.4847 8.4847 9.0813 9.0813 10.3837 10.3837 11.1195 11.1195 11.2063 11.2063 12.2772 12.2772 12.5192 12.5192 12.7978 12.7978 13.3388 13.3388 k = 0.0521 0.5681 0.7653 ( 3078 PWs) bands (ev): -73.2579 -73.2579 -42.0775 -42.0775 -37.6173 -37.6173 -37.5973 -37.5973 7.1481 7.1481 7.4408 7.4408 7.9350 7.9350 8.2193 8.2193 8.4703 8.4703 9.1378 9.1378 10.3730 10.3730 11.0981 11.0981 11.1962 11.1962 12.2180 12.2180 12.5120 12.5120 12.7886 12.7886 13.3832 13.3832 k = 0.0573 0.5560 0.7785 ( 3080 PWs) bands (ev): -73.2579 -73.2579 -42.0776 -42.0776 -37.6174 -37.6174 -37.5976 -37.5976 7.1807 7.1807 7.4563 7.4563 7.9075 7.9075 8.2042 8.2042 8.4547 8.4547 9.1969 9.1969 10.3617 10.3617 11.0741 11.0741 11.1852 11.1852 12.1537 12.1537 12.5066 12.5066 12.7880 12.7880 13.4301 13.4301 k = 0.0625 0.5439 0.7917 ( 3086 PWs) bands (ev): -73.2579 -73.2579 -42.0778 -42.0778 -37.6174 -37.6174 -37.5979 -37.5979 7.2155 7.2155 7.4728 7.4728 7.8795 7.8795 8.1889 8.1889 8.4380 8.4380 9.2582 9.2582 10.3500 10.3500 11.0478 11.0478 11.1736 11.1736 12.0850 12.0850 12.5029 12.5029 12.7960 12.7960 13.4794 13.4794 k = 0.0677 0.5317 0.8049 ( 3082 PWs) bands (ev): -73.2579 -73.2579 -42.0779 -42.0779 -37.6175 -37.6175 -37.5982 -37.5982 7.2520 7.2520 7.4904 7.4904 7.8518 7.8518 8.1735 8.1735 8.4204 8.4204 9.3213 9.3213 10.3381 10.3381 11.0198 11.0198 11.1613 11.1613 12.0129 12.0129 12.5010 12.5010 12.8121 12.8121 13.5311 13.5311 k = 0.0729 0.5196 0.8181 ( 3080 PWs) bands (ev): -73.2578 -73.2578 -42.0780 -42.0780 -37.6177 -37.6177 -37.5985 -37.5985 7.2897 7.2897 7.5089 7.5089 7.8248 7.8248 8.1578 8.1578 8.4018 8.4018 9.3857 9.3857 10.3261 10.3261 10.9908 10.9908 11.1485 11.1485 11.9381 11.9381 12.5006 12.5006 12.8360 12.8360 13.5851 13.5851 k = 0.0781 0.5075 0.8313 ( 3076 PWs) bands (ev): -73.2578 -73.2578 -42.0782 -42.0782 -37.6178 -37.6178 -37.5988 -37.5988 7.3276 7.3276 7.5283 7.5283 7.7994 7.7994 8.1420 8.1420 8.3823 8.3823 9.4509 9.4509 10.3141 10.3141 10.9617 10.9617 11.1353 11.1353 11.8613 11.8613 12.5017 12.5017 12.8670 12.8670 13.6417 13.6417 k = 0.0833 0.4954 0.8445 ( 3072 PWs) bands (ev): -73.2578 -73.2578 -42.0783 -42.0783 -37.6179 -37.6179 -37.5991 -37.5991 7.3645 7.3645 7.5481 7.5481 7.7773 7.7773 8.1260 8.1260 8.3620 8.3620 9.5161 9.5161 10.3022 10.3022 10.9335 10.9335 11.1219 11.1219 11.7832 11.7832 12.5041 12.5041 12.9045 12.9045 13.7007 13.7007 k = 0.0885 0.4832 0.8577 ( 3068 PWs) bands (ev): -73.2577 -73.2577 -42.0785 -42.0785 -37.6181 -37.6181 -37.5994 -37.5994 7.3990 7.3990 7.5671 7.5671 7.7608 7.7608 8.1100 8.1100 8.3410 8.3410 9.5804 9.5804 10.2906 10.2906 10.9074 10.9074 11.1083 11.1083 11.7042 11.7042 12.5076 12.5076 12.9480 12.9480 13.7624 13.7624 k = 0.0938 0.4711 0.8709 ( 3068 PWs) bands (ev): -73.2577 -73.2577 -42.0787 -42.0787 -37.6183 -37.6183 -37.5998 -37.5998 7.4290 7.4290 7.5825 7.5825 7.7544 7.7544 8.0940 8.0940 8.3195 8.3195 9.6428 9.6428 10.2792 10.2792 10.8848 10.8848 11.0947 11.0947 11.6250 11.6250 12.5119 12.5119 12.9967 12.9967 13.8268 13.8268 k = 0.0990 0.4590 0.8841 ( 3070 PWs) bands (ev): -73.2577 -73.2577 -42.0788 -42.0788 -37.6184 -37.6184 -37.6001 -37.6001 7.4526 7.4526 7.5910 7.5910 7.7632 7.7632 8.0784 8.0784 8.2975 8.2975 9.7019 9.7019 10.2682 10.2682 10.8673 10.8673 11.0810 11.0810 11.5457 11.5457 12.5170 12.5170 13.0502 13.0502 13.8942 13.8942 k = 0.1042 0.4469 0.8973 ( 3072 PWs) bands (ev): -73.2576 -73.2576 -42.0790 -42.0790 -37.6186 -37.6186 -37.6004 -37.6004 7.4679 7.4679 7.5926 7.5926 7.7883 7.7883 8.0635 8.0635 8.2754 8.2754 9.7562 9.7562 10.2575 10.2575 10.8567 10.8567 11.0675 11.0675 11.4669 11.4669 12.5226 12.5226 13.1077 13.1077 13.9646 13.9646 k = 0.1094 0.4347 0.9105 ( 3074 PWs) bands (ev): -73.2576 -73.2576 -42.0792 -42.0792 -37.6189 -37.6189 -37.6008 -37.6008 7.4731 7.4731 7.5922 7.5922 7.8256 7.8256 8.0502 8.0502 8.2534 8.2534 9.8040 9.8040 10.2473 10.2473 10.8547 10.8547 11.0541 11.0541 11.3888 11.3888 12.5283 12.5283 13.1689 13.1689 14.0382 14.0382 k = 0.1146 0.4226 0.9237 ( 3074 PWs) bands (ev): -73.2576 -73.2576 -42.0794 -42.0794 -37.6191 -37.6191 -37.6011 -37.6011 7.4680 7.4680 7.5940 7.5940 7.8686 7.8686 8.0401 8.0401 8.2321 8.2321 9.8438 9.8438 10.2375 10.2375 10.8630 10.8630 11.0409 11.0409 11.3118 11.3118 12.5341 12.5341 13.2331 13.2331 14.1151 14.1151 k = 0.1198 0.4105 0.9369 ( 3070 PWs) bands (ev): -73.2575 -73.2575 -42.0796 -42.0796 -37.6193 -37.6193 -37.6014 -37.6014 7.4549 7.4549 7.5987 7.5987 7.9090 7.9090 8.0381 8.0381 8.2127 8.2127 9.8743 9.8743 10.2282 10.2282 10.8828 10.8828 11.0279 11.0279 11.2365 11.2365 12.5397 12.5397 13.2998 13.2998 14.1953 14.1953 k = 0.1250 0.3984 0.9501 ( 3072 PWs) bands (ev): -73.2575 -73.2575 -42.0798 -42.0798 -37.6196 -37.6196 -37.6017 -37.6017 7.4367 7.4367 7.6048 7.6048 7.9339 7.9339 8.0520 8.0520 8.1980 8.1980 9.8951 9.8951 10.2192 10.2192 10.9139 10.9139 11.0150 11.0150 11.1635 11.1635 12.5448 12.5448 13.3684 13.3684 14.2790 14.2790 k = 0.1302 0.3862 0.9633 ( 3078 PWs) bands (ev): -73.2574 -73.2574 -42.0800 -42.0800 -37.6199 -37.6199 -37.6020 -37.6020 7.4159 7.4159 7.6108 7.6108 7.9387 7.9387 8.0769 8.0769 8.1970 8.1970 9.9064 9.9064 10.2105 10.2105 10.9528 10.9528 11.0033 11.0033 11.0952 11.0952 12.5494 12.5494 13.4385 13.4385 14.3662 14.3662 k = 0.1354 0.3741 0.9764 ( 3076 PWs) bands (ev): -73.2574 -73.2574 -42.0801 -42.0801 -37.6201 -37.6201 -37.6022 -37.6022 7.3938 7.3938 7.6162 7.6162 7.9325 7.9325 8.0876 8.0876 8.2252 8.2252 9.9092 9.9092 10.2023 10.2023 10.9653 10.9653 11.0072 11.0072 11.0506 11.0506 12.5531 12.5531 13.5095 13.5095 14.4567 14.4567 k = 0.1406 0.3620 0.9896 ( 3076 PWs) bands (ev): -73.2574 -73.2574 -42.0803 -42.0803 -37.6204 -37.6204 -37.6025 -37.6025 7.3712 7.3712 7.6204 7.6204 7.9223 7.9223 8.0793 8.0793 8.2801 8.2801 9.9050 9.9050 10.1946 10.1946 10.9237 10.9237 10.9894 10.9894 11.0929 11.0929 12.5560 12.5560 13.5808 13.5808 14.5506 14.5506 k = 0.1458 0.3499 1.0028 ( 3070 PWs) bands (ev): -73.2573 -73.2573 -42.0805 -42.0805 -37.6207 -37.6207 -37.6027 -37.6027 7.3488 7.3488 7.6232 7.6232 7.9108 7.9108 8.0632 8.0632 8.3476 8.3476 9.8952 9.8952 10.1873 10.1873 10.8633 10.8633 10.9728 10.9728 11.1626 11.1626 12.5578 12.5578 13.6518 13.6518 14.6476 14.6476 k = 0.1510 0.3378 1.0160 ( 3070 PWs) bands (ev): -73.2573 -73.2573 -42.0807 -42.0807 -37.6210 -37.6210 -37.6029 -37.6029 7.3266 7.3266 7.6246 7.6246 7.8990 7.8990 8.0444 8.0444 8.4211 8.4211 9.8812 9.8812 10.1804 10.1804 10.8002 10.8002 10.9587 10.9587 11.2403 11.2403 12.5585 12.5585 13.7220 13.7220 14.7475 14.7475 k = 0.1562 0.3256 1.0292 ( 3066 PWs) bands (ev): -73.2573 -73.2573 -42.0809 -42.0809 -37.6213 -37.6213 -37.6031 -37.6031 7.3051 7.3051 7.6244 7.6244 7.8875 7.8875 8.0249 8.0249 8.4980 8.4980 9.8645 9.8645 10.1740 10.1740 10.7379 10.7379 10.9450 10.9450 11.3232 11.3232 12.5581 12.5581 13.7908 13.7908 14.8499 14.8499 k = 0.1615 0.3135 1.0424 ( 3064 PWs) bands (ev): -73.2572 -73.2572 -42.0810 -42.0810 -37.6217 -37.6217 -37.6033 -37.6033 7.2843 7.2843 7.6227 7.6227 7.8767 7.8767 8.0053 8.0053 8.5772 8.5772 9.8460 9.8460 10.1680 10.1680 10.6775 10.6775 10.9311 10.9311 11.4094 11.4094 12.5564 12.5564 13.8574 13.8574 14.9543 14.9543 k = 0.1667 0.3014 1.0556 ( 3062 PWs) bands (ev): -73.2572 -73.2572 -42.0812 -42.0812 -37.6220 -37.6220 -37.6035 -37.6035 7.2644 7.2644 7.6196 7.6196 7.8666 7.8666 7.9862 7.9862 8.6578 8.6578 9.8265 9.8265 10.1624 10.1624 10.6193 10.6193 10.9166 10.9166 11.4977 11.4977 12.5536 12.5536 13.9213 13.9213 15.0599 15.0599 k = 0.1719 0.2893 1.0688 ( 3064 PWs) bands (ev): -73.2572 -73.2572 -42.0813 -42.0813 -37.6223 -37.6223 -37.6036 -37.6036 7.2454 7.2454 7.6154 7.6154 7.8574 7.8574 7.9678 7.9678 8.7393 8.7393 9.8069 9.8069 10.1571 10.1571 10.5637 10.5637 10.9014 10.9014 11.5870 11.5870 12.5497 12.5497 13.9819 13.9819 15.1658 15.1658 k = 0.1771 0.2771 1.0820 ( 3066 PWs) bands (ev): -73.2571 -73.2571 -42.0815 -42.0815 -37.6226 -37.6226 -37.6038 -37.6038 7.2274 7.2274 7.6100 7.6100 7.8490 7.8490 7.9501 7.9501 8.8210 8.8210 9.7875 9.7875 10.1520 10.1520 10.5107 10.5107 10.8852 10.8852 11.6762 11.6762 12.5448 12.5448 14.0386 14.0386 15.2706 15.2706 k = 0.1823 0.2650 1.0952 ( 3068 PWs) bands (ev): -73.2571 -73.2571 -42.0816 -42.0816 -37.6229 -37.6229 -37.6039 -37.6039 7.2105 7.2105 7.6038 7.6038 7.8414 7.8414 7.9333 7.9333 8.9027 8.9027 9.7688 9.7688 10.1473 10.1473 10.4607 10.4607 10.8678 10.8678 11.7646 11.7646 12.5391 12.5391 14.0908 14.0908 15.3726 15.3726 k = 0.1875 0.2529 1.1084 ( 3068 PWs) bands (ev): -73.2571 -73.2571 -42.0818 -42.0818 -37.6232 -37.6232 -37.6040 -37.6040 7.1947 7.1947 7.5970 7.5970 7.8346 7.8346 7.9174 7.9174 8.9837 8.9837 9.7511 9.7511 10.1427 10.1427 10.4137 10.4137 10.8492 10.8492 11.8512 11.8512 12.5326 12.5326 14.1382 14.1382 15.4690 15.4690 k = 0.1927 0.2408 1.1216 ( 3072 PWs) bands (ev): -73.2571 -73.2571 -42.0819 -42.0819 -37.6234 -37.6234 -37.6041 -37.6041 7.1800 7.1800 7.5899 7.5899 7.8286 7.8286 7.9026 7.9026 9.0634 9.0634 9.7347 9.7347 10.1382 10.1382 10.3700 10.3700 10.8293 10.8293 11.9353 11.9353 12.5255 12.5255 14.1804 14.1804 15.5568 15.5568 k = 0.1979 0.2286 1.1348 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0820 -42.0820 -37.6237 -37.6237 -37.6042 -37.6042 7.1666 7.1666 7.5825 7.5825 7.8233 7.8233 7.8889 7.8889 9.1414 9.1414 9.7198 9.7198 10.1338 10.1338 10.3297 10.3297 10.8080 10.8080 12.0161 12.0161 12.5180 12.5180 14.2172 14.2172 15.6323 15.6323 k = 0.2031 0.2165 1.1480 ( 3072 PWs) bands (ev): -73.2570 -73.2570 -42.0821 -42.0821 -37.6239 -37.6239 -37.6043 -37.6043 7.1544 7.1544 7.5753 7.5753 7.8187 7.8187 7.8763 7.8763 9.2169 9.2169 9.7065 9.7065 10.1293 10.1293 10.2931 10.2931 10.7856 10.7856 12.0927 12.0927 12.5104 12.5104 14.2486 14.2486 15.6931 15.6931 k = 0.2083 0.2044 1.1612 ( 3080 PWs) bands (ev): -73.2570 -73.2570 -42.0822 -42.0822 -37.6241 -37.6241 -37.6044 -37.6044 7.1434 7.1434 7.5683 7.5683 7.8147 7.8147 7.8648 7.8648 9.2890 9.2890 9.6951 9.6951 10.1245 10.1245 10.2605 10.2605 10.7623 10.7623 12.1643 12.1643 12.5029 12.5029 14.2747 14.2747 15.7387 15.7387 k = 0.2135 0.1923 1.1744 ( 3076 PWs) bands (ev): -73.2570 -73.2570 -42.0823 -42.0823 -37.6243 -37.6243 -37.6045 -37.6045 7.1337 7.1337 7.5617 7.5617 7.8114 7.8114 7.8546 7.8546 9.3569 9.3569 9.6856 9.6856 10.1193 10.1193 10.2321 10.2321 10.7384 10.7384 12.2300 12.2300 12.4956 12.4956 14.2960 14.2960 15.7711 15.7711 k = 0.2188 0.1801 1.1876 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0824 -42.0824 -37.6245 -37.6245 -37.6045 -37.6045 7.1252 7.1252 7.5557 7.5557 7.8087 7.8087 7.8454 7.8454 9.4192 9.4192 9.6783 9.6783 10.1134 10.1134 10.2083 10.2083 10.7144 10.7144 12.2891 12.2891 12.4889 12.4889 14.3126 14.3126 15.7933 15.7933 k = 0.2240 0.1680 1.2008 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0825 -42.0825 -37.6247 -37.6247 -37.6046 -37.6046 7.1180 7.1180 7.5505 7.5505 7.8066 7.8066 7.8375 7.8375 9.4744 9.4744 9.6737 9.6737 10.1069 10.1069 10.1892 10.1892 10.6912 10.6912 12.3408 12.3408 12.4830 12.4830 14.3253 14.3253 15.8082 15.8082 k = 0.2292 0.1559 1.2140 ( 3072 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6248 -37.6248 -37.6046 -37.6046 7.1122 7.1122 7.5460 7.5460 7.8052 7.8052 7.8308 7.8308 9.5204 9.5204 9.6724 9.6724 10.0999 10.0999 10.1748 10.1748 10.6698 10.6698 12.3840 12.3840 12.4782 12.4782 14.3346 14.3346 15.8181 15.8181 k = 0.2344 0.1438 1.2272 ( 3068 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.1076 7.1076 7.5425 7.5425 7.8043 7.8043 7.8253 7.8253 9.5550 9.5550 9.6751 9.6751 10.0931 10.0931 10.1647 10.1647 10.6512 10.6512 12.4178 12.4178 12.4749 12.4749 14.3410 14.3410 15.8245 15.8245 k = 0.2396 0.1316 1.2403 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.1044 7.1044 7.5399 7.5399 7.8038 7.8038 7.8212 7.8212 9.5772 9.5772 9.6810 9.6810 10.0874 10.0874 10.1580 10.1580 10.6367 10.6367 12.4408 12.4408 12.4740 12.4740 14.3451 14.3451 15.8284 15.8284 k = 0.2448 0.1195 1.2535 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1024 7.1024 7.5384 7.5384 7.8037 7.8037 7.8185 7.8185 9.5885 9.5885 9.6874 9.6874 10.0836 10.0836 10.1543 10.1543 10.6275 10.6275 12.4521 12.4521 12.4762 12.4762 14.3474 14.3474 15.8306 15.8306 k = 0.2500 0.1074 1.2667 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1017 7.1017 7.5379 7.5379 7.8037 7.8037 7.8176 7.8176 9.5918 9.5918 9.6900 9.6900 10.0823 10.0823 10.1531 10.1531 10.6243 10.6243 12.4548 12.4548 12.4780 12.4780 14.3482 14.3482 15.8312 15.8312 k = 0.2500 0.1074 1.2667 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1017 7.1017 7.5379 7.5379 7.8037 7.8037 7.8176 7.8176 9.5918 9.5918 9.6900 9.6900 10.0823 10.0823 10.1531 10.1531 10.6243 10.6243 12.4548 12.4548 12.4780 12.4780 14.3482 14.3482 15.8312 15.8312 k = 0.2656 0.1141 1.2594 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1009 7.1009 7.5388 7.5388 7.8039 7.8039 7.8181 7.8181 9.5914 9.5914 9.6891 9.6891 10.0637 10.0637 10.1744 10.1744 10.6248 10.6248 12.3764 12.3764 12.5553 12.5553 14.3455 14.3455 15.8353 15.8353 k = 0.2812 0.1208 1.2521 ( 3056 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0986 7.0986 7.5415 7.5415 7.8049 7.8049 7.8194 7.8194 9.5897 9.5897 9.6862 9.6862 10.0343 10.0343 10.2123 10.2123 10.6265 10.6265 12.2848 12.2848 12.6433 12.6433 14.3374 14.3374 15.8475 15.8475 k = 0.2969 0.1275 1.2448 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0948 7.0948 7.5456 7.5456 7.8063 7.8063 7.8216 7.8216 9.5866 9.5866 9.6812 9.6812 10.0068 10.0068 10.2537 10.2537 10.6295 10.6295 12.1920 12.1920 12.7300 12.7300 14.3244 14.3244 15.8673 15.8673 k = 0.3125 0.1342 1.2375 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0900 7.0900 7.5511 7.5511 7.8080 7.8080 7.8249 7.8249 9.5818 9.5818 9.6744 9.6744 9.9839 9.9839 10.2958 10.2958 10.6343 10.6343 12.0985 12.0985 12.8145 12.8145 14.3075 14.3075 15.8934 15.8934 k = 0.3281 0.1410 1.2302 ( 3066 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0845 7.0845 7.5573 7.5573 7.8097 7.8097 7.8295 7.8295 9.5747 9.5747 9.6662 9.6662 9.9662 9.9662 10.3372 10.3372 10.6413 10.6413 12.0046 12.0046 12.8960 12.8960 14.2875 14.2875 15.9245 15.9245 k = 0.3438 0.1477 1.2229 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.0788 7.0788 7.5641 7.5641 7.8114 7.8114 7.8355 7.8355 9.5651 9.5651 9.6577 9.6577 9.9538 9.9538 10.3764 10.3764 10.6516 10.6516 11.9108 11.9108 12.9739 12.9739 14.2657 14.2657 15.9591 15.9591 k = 0.3594 0.1544 1.2156 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.0730 7.0730 7.5710 7.5710 7.8129 7.8129 7.8424 7.8424 9.5526 9.5526 9.6498 9.6498 9.9462 9.9462 10.4117 10.4117 10.6661 10.6661 11.8175 11.8175 13.0471 13.0471 14.2430 14.2430 15.9955 15.9955 k = 0.3750 0.1611 1.2083 ( 3073 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6249 -37.6249 -37.6046 -37.6046 7.0677 7.0677 7.5778 7.5778 7.8144 7.8144 7.8503 7.8503 9.5372 9.5372 9.6431 9.6431 9.9431 9.9431 10.4416 10.4416 10.6863 10.6863 11.7250 11.7250 13.1147 13.1147 14.2204 14.2204 16.0320 16.0320 k = 0.3906 0.1678 1.2010 ( 3075 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6248 -37.6248 -37.6046 -37.6046 7.0631 7.0631 7.5844 7.5844 7.8159 7.8159 7.8586 7.8586 9.5194 9.5194 9.6381 9.6381 9.9438 9.9438 10.4648 10.4648 10.7129 10.7129 11.6339 11.6339 13.1756 13.1756 14.1986 14.1986 16.0670 16.0670 k = 0.4062 0.1745 1.1937 ( 3073 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6248 -37.6248 -37.6046 -37.6046 7.0594 7.0594 7.5905 7.5905 7.8174 7.8174 7.8672 7.8672 9.4999 9.4999 9.6348 9.6348 9.9478 9.9478 10.4808 10.4808 10.7459 10.7459 11.5449 11.5449 13.2289 13.2289 14.1785 14.1785 16.0991 16.0991 k = 0.4219 0.1812 1.1864 ( 3071 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6247 -37.6247 -37.6046 -37.6046 7.0568 7.0568 7.5961 7.5961 7.8189 7.8189 7.8756 7.8756 9.4794 9.4794 9.6332 9.6332 9.9547 9.9547 10.4903 10.4903 10.7839 10.7839 11.4587 11.4587 13.2735 13.2735 14.1604 14.1604 16.1269 16.1269 k = 0.4375 0.1879 1.1791 ( 3069 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6247 -37.6247 -37.6046 -37.6046 7.0555 7.0555 7.6011 7.6011 7.8205 7.8205 7.8836 7.8836 9.4585 9.4585 9.6330 9.6330 9.9641 9.9641 10.4939 10.4939 10.8252 10.8252 11.3765 11.3765 13.3085 13.3085 14.1449 14.1449 16.1485 16.1485 k = 0.4531 0.1947 1.1718 ( 3067 PWs) bands (ev): -73.2569 -73.2569 -42.0825 -42.0825 -37.6246 -37.6246 -37.6045 -37.6045 7.0555 7.0555 7.6055 7.6055 7.8221 7.8221 7.8908 7.8908 9.4375 9.4375 9.6344 9.6344 9.9758 9.9758 10.4923 10.4923 10.8678 10.8678 11.3001 11.3001 13.3331 13.3331 14.1323 14.1323 16.1350 16.1350 k = 0.4688 0.2014 1.1645 ( 3066 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6246 -37.6246 -37.6045 -37.6045 7.0571 7.0571 7.6093 7.6093 7.8237 7.8237 7.8970 7.8970 9.4168 9.4168 9.6372 9.6372 9.9896 9.9896 10.4856 10.4856 10.9083 10.9083 11.2326 11.2326 13.3468 13.3468 14.1226 14.1226 16.1053 16.1054 k = 0.4844 0.2081 1.1572 ( 3065 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6245 -37.6245 -37.6045 -37.6045 7.0601 7.0601 7.6124 7.6124 7.8254 7.8254 7.9020 7.9020 9.3966 9.3966 9.6413 9.6413 10.0054 10.0054 10.4736 10.4736 10.9409 10.9409 11.1806 11.1806 13.3496 13.3496 14.1160 14.1160 16.0832 16.0832 k = 0.5000 0.2148 1.1499 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6244 -37.6244 -37.6045 -37.6045 7.0646 7.0646 7.6149 7.6149 7.8272 7.8272 7.9058 7.9058 9.3769 9.3769 9.6467 9.6467 10.0232 10.0232 10.4558 10.4558 10.9540 10.9540 11.1564 11.1564 13.3414 13.3414 14.1124 14.1124 16.0679 16.0679 k = 0.5000 0.2148 1.1499 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0824 -42.0824 -37.6244 -37.6244 -37.6045 -37.6045 7.0646 7.0646 7.6149 7.6149 7.8272 7.8272 7.9058 7.9058 9.3769 9.3769 9.6467 9.6467 10.0232 10.0232 10.4558 10.4558 10.9540 10.9540 11.1564 11.1564 13.3414 13.3414 14.1124 14.1124 16.0679 16.0679 k = 0.5000 0.2148 1.1310 ( 3066 PWs) bands (ev): -73.2570 -73.2570 -42.0823 -42.0823 -37.6243 -37.6243 -37.6044 -37.6044 7.0791 7.0791 7.6210 7.6210 7.8320 7.8320 7.9143 7.9143 9.3267 9.3267 9.6631 9.6631 10.0710 10.0710 10.3976 10.3976 10.9536 10.9536 11.1399 11.1399 13.3048 13.3048 14.1056 14.1056 16.0328 16.0329 k = 0.5000 0.2148 1.1122 ( 3070 PWs) bands (ev): -73.2570 -73.2570 -42.0822 -42.0822 -37.6240 -37.6240 -37.6044 -37.6044 7.0954 7.0954 7.6277 7.6277 7.8376 7.8376 7.9239 7.9239 9.2763 9.2763 9.6815 9.6815 10.1180 10.1180 10.3321 10.3321 10.9552 10.9552 11.1221 11.1221 13.2645 13.2645 14.0957 14.0957 15.9921 15.9921 k = 0.5000 0.2148 1.0933 ( 3074 PWs) bands (ev): -73.2570 -73.2570 -42.0821 -42.0821 -37.6238 -37.6238 -37.6043 -37.6043 7.1137 7.1137 7.6350 7.6350 7.8438 7.8438 7.9345 7.9345 9.2258 9.2258 9.7014 9.7014 10.1620 10.1620 10.2621 10.2621 10.9587 10.9587 11.1033 11.1033 13.2211 13.2211 14.0822 14.0822 15.9456 15.9456 k = 0.5000 0.2148 1.0745 ( 3078 PWs) bands (ev): -73.2570 -73.2570 -42.0820 -42.0820 -37.6235 -37.6235 -37.6043 -37.6043 7.1336 7.1336 7.6430 7.6430 7.8507 7.8507 7.9461 7.9461 9.1753 9.1753 9.7225 9.7225 10.1645 10.1645 10.2270 10.2270 10.9641 10.9641 11.0843 11.0843 13.1753 13.1753 14.0647 14.0647 15.8935 15.8935 k = 0.5000 0.2148 1.0556 ( 3074 PWs) bands (ev): -73.2571 -73.2571 -42.0819 -42.0819 -37.6232 -37.6232 -37.6042 -37.6042 7.1552 7.1552 7.6515 7.6515 7.8582 7.8582 7.9585 7.9585 9.1250 9.1250 9.7444 9.7444 10.0881 10.0881 10.2650 10.2650 10.9713 10.9713 11.0658 11.0658 13.1276 13.1276 14.0430 14.0430 15.8360 15.8360 k = 0.5000 0.2148 1.0368 ( 3078 PWs) bands (ev): -73.2571 -73.2571 -42.0817 -42.0817 -37.6229 -37.6229 -37.6041 -37.6041 7.1782 7.1782 7.6603 7.6603 7.8663 7.8663 7.9715 7.9715 9.0746 9.0746 9.7661 9.7661 10.0009 10.0009 10.3089 10.3089 10.9800 10.9800 11.0486 11.0486 13.0786 13.0786 14.0169 14.0169 15.7735 15.7735 k = 0.5000 0.2148 1.0179 ( 3074 PWs) bands (ev): -73.2571 -73.2571 -42.0816 -42.0816 -37.6226 -37.6226 -37.6040 -37.6040 7.2026 7.2026 7.6696 7.6696 7.8749 7.8749 7.9852 7.9852 9.0244 9.0244 9.7860 9.7860 9.9109 9.9109 10.3528 10.3528 10.9894 10.9894 11.0346 11.0346 13.0289 13.0289 13.9865 13.9865 15.7064 15.7064 k = 0.5000 0.2148 0.9991 ( 3084 PWs) bands (ev): -73.2572 -73.2572 -42.0814 -42.0814 -37.6222 -37.6222 -37.6039 -37.6039 7.2281 7.2281 7.6791 7.6791 7.8839 7.8839 7.9993 7.9993 8.9742 8.9742 9.7853 9.7853 9.8373 9.8373 10.3958 10.3958 10.9965 10.9965 11.0275 11.0275 12.9788 12.9788 13.9520 13.9520 15.6351 15.6351 k = 0.5000 0.2148 0.9802 ( 3086 PWs) bands (ev): -73.2572 -73.2572 -42.0812 -42.0812 -37.6218 -37.6218 -37.6038 -37.6038 7.2547 7.2547 7.6888 7.6888 7.8932 7.8932 8.0137 8.0137 8.9242 8.9242 9.7056 9.7056 9.8388 9.8388 10.4377 10.4377 10.9964 10.9964 11.0334 11.0334 12.9289 12.9289 13.9136 13.9136 15.5600 15.5600 k = 0.5000 0.2148 0.9614 ( 3084 PWs) bands (ev): -73.2572 -73.2572 -42.0811 -42.0811 -37.6214 -37.6214 -37.6037 -37.6037 7.2822 7.2822 7.6986 7.6986 7.9029 7.9029 8.0283 8.0283 8.8744 8.8744 9.6078 9.6078 9.8542 9.8542 10.4784 10.4784 10.9940 10.9940 11.0482 11.0482 12.8797 12.8797 13.8718 13.8718 15.4816 15.4816 k = 0.5000 0.2148 0.9425 ( 3070 PWs) bands (ev): -73.2573 -73.2573 -42.0809 -42.0809 -37.6209 -37.6209 -37.6036 -37.6036 7.3104 7.3104 7.7085 7.7085 7.9129 7.9129 8.0428 8.0428 8.8248 8.8248 9.5072 9.5072 9.8682 9.8682 10.5176 10.5176 10.9952 10.9952 11.0673 11.0673 12.8316 12.8316 13.8269 13.8269 15.4004 15.4004 k = 0.5000 0.2148 0.9237 ( 3072 PWs) bands (ev): -73.2573 -73.2573 -42.0807 -42.0807 -37.6205 -37.6205 -37.6035 -37.6035 7.3390 7.3390 7.7182 7.7182 7.9228 7.9228 8.0570 8.0570 8.7754 8.7754 9.4055 9.4055 9.8788 9.8788 10.5551 10.5551 11.0021 11.0021 11.0894 11.0894 12.7849 12.7849 13.7796 13.7796 15.3167 15.3167 k = 0.5000 0.2148 0.9048 ( 3068 PWs) bands (ev): -73.2573 -73.2573 -42.0805 -42.0805 -37.6200 -37.6200 -37.6034 -37.6034 7.3681 7.3681 7.7278 7.7278 7.9329 7.9329 8.0708 8.0708 8.7262 8.7262 9.3032 9.3032 9.8852 9.8852 10.5909 10.5909 11.0159 11.0159 11.1141 11.1141 12.7401 12.7401 13.7304 13.7304 15.2309 15.2309 k = 0.5000 0.2148 0.8860 ( 3068 PWs) bands (ev): -73.2574 -73.2574 -42.0803 -42.0803 -37.6195 -37.6195 -37.6032 -37.6032 7.3971 7.3971 7.7371 7.7371 7.9428 7.9428 8.0839 8.0839 8.6774 8.6774 9.2010 9.2010 9.8870 9.8870 10.6248 10.6248 11.0373 11.0373 11.1415 11.1415 12.6974 12.6974 13.6801 13.6801 15.1434 15.1434 k = 0.5000 0.2148 0.8671 ( 3064 PWs) bands (ev): -73.2574 -73.2574 -42.0800 -42.0800 -37.6190 -37.6190 -37.6031 -37.6031 7.4261 7.4261 7.7460 7.7460 7.9526 7.9526 8.0961 8.0961 8.6288 8.6288 9.0993 9.0993 9.8840 9.8840 10.6567 10.6567 11.0665 11.0665 11.1713 11.1713 12.6572 12.6572 13.6292 13.6292 15.0545 15.0545 k = 0.5000 0.2148 0.8483 ( 3066 PWs) bands (ev): -73.2575 -73.2575 -42.0798 -42.0798 -37.6184 -37.6184 -37.6030 -37.6030 7.4546 7.4546 7.7543 7.7543 7.9622 7.9622 8.1072 8.1072 8.5807 8.5807 8.9986 8.9986 9.8763 9.8763 10.6864 10.6864 11.1037 11.1037 11.2037 11.2037 12.6197 12.6197 13.5785 13.5785 14.9645 14.9645 k = 0.5000 0.2148 0.8294 ( 3070 PWs) bands (ev): -73.2575 -73.2575 -42.0796 -42.0796 -37.6179 -37.6179 -37.6028 -37.6028 7.4824 7.4824 7.7619 7.7619 7.9716 7.9716 8.1169 8.1169 8.5330 8.5330 8.8992 8.8992 9.8642 9.8642 10.7139 10.7139 11.1484 11.1484 11.2385 11.2385 12.5851 12.5851 13.5288 13.5288 14.8737 14.8737 k = 0.5000 0.2148 0.8106 ( 3070 PWs) bands (ev): -73.2576 -73.2576 -42.0793 -42.0793 -37.6173 -37.6173 -37.6027 -37.6027 7.5091 7.5091 7.7686 7.7686 7.9809 7.9809 8.1250 8.1250 8.4860 8.4860 8.8017 8.8017 9.8481 9.8481 10.7391 10.7391 11.2003 11.2003 11.2757 11.2757 12.5536 12.5536 13.4808 13.4808 14.7822 14.7822 k = 0.5000 0.2148 0.7917 ( 3070 PWs) bands (ev): -73.2576 -73.2576 -42.0791 -42.0791 -37.6167 -37.6167 -37.6026 -37.6026 7.5343 7.5343 7.7742 7.7742 7.9900 7.9900 8.1312 8.1312 8.4397 8.4397 8.7066 8.7066 9.8285 9.8285 10.7618 10.7618 11.2586 11.2586 11.3154 11.3154 12.5255 12.5255 13.4353 13.4353 14.6903 14.6903 k = 0.5000 0.2148 0.7729 ( 3072 PWs) bands (ev): -73.2577 -73.2577 -42.0789 -42.0789 -37.6162 -37.6162 -37.6024 -37.6024 7.5574 7.5574 7.7785 7.7785 7.9989 7.9989 8.1352 8.1352 8.3943 8.3943 8.6146 8.6146 9.8060 9.8060 10.7821 10.7821 11.3213 11.3213 11.3588 11.3588 12.5007 12.5007 13.3931 13.3931 14.5983 14.5983 k = 0.5000 0.2148 0.7540 ( 3072 PWs) bands (ev): -73.2577 -73.2577 -42.0786 -42.0786 -37.6156 -37.6156 -37.6023 -37.6023 7.5778 7.5778 7.7813 7.7813 8.0073 8.0073 8.1366 8.1366 8.3505 8.3505 8.5266 8.5266 9.7810 9.7810 10.8000 10.8000 11.3817 11.3817 11.4117 11.4117 12.4794 12.4794 13.3551 13.3551 14.5062 14.5062 k = 0.5000 0.2148 0.7352 ( 3080 PWs) bands (ev): -73.2578 -73.2578 -42.0784 -42.0784 -37.6150 -37.6150 -37.6021 -37.6021 7.5946 7.5946 7.7824 7.7824 8.0148 8.0148 8.1347 8.1347 8.3087 8.3087 8.4440 8.4440 9.7540 9.7540 10.8155 10.8155 11.4313 11.4313 11.4817 11.4817 12.4615 12.4615 13.3220 13.3220 14.4143 14.4143 k = 0.5000 0.2148 0.7163 ( 3076 PWs) bands (ev): -73.2578 -73.2578 -42.0781 -42.0781 -37.6143 -37.6143 -37.6020 -37.6020 7.6068 7.6068 7.7818 7.7818 8.0199 8.0199 8.1290 8.1290 8.2703 8.2703 8.3689 8.3689 9.7254 9.7254 10.8286 10.8286 11.4762 11.4762 11.5616 11.5616 12.4470 12.4470 13.2948 13.2948 14.3227 14.3227 k = 0.5000 0.2148 0.6975 ( 3076 PWs) bands (ev): -73.2579 -73.2579 -42.0778 -42.0778 -37.6137 -37.6137 -37.6018 -37.6018 7.6130 7.6130 7.7792 7.7792 8.0193 8.0193 8.1194 8.1194 8.2365 8.2365 8.3046 8.3046 9.6953 9.6953 10.8395 10.8395 11.5196 11.5196 11.6474 11.6474 12.4357 12.4357 13.2743 13.2743 14.2315 14.2315 k = 0.5000 0.2148 0.6786 ( 3080 PWs) bands (ev): -73.2579 -73.2579 -42.0776 -42.0776 -37.6131 -37.6131 -37.6017 -37.6017 7.6119 7.6119 7.7746 7.7746 8.0069 8.0069 8.1086 8.1086 8.2074 8.2074 8.2562 8.2562 9.6642 9.6642 10.8483 10.8483 11.5615 11.5615 11.7377 11.7377 12.4275 12.4275 13.2614 13.2614 14.1409 14.1409 k = 0.5000 0.2148 0.6598 ( 3076 PWs) bands (ev): -73.2580 -73.2580 -42.0773 -42.0773 -37.6125 -37.6125 -37.6016 -37.6016 7.6020 7.6020 7.7679 7.7679 7.9794 7.9794 8.0979 8.0979 8.1825 8.1825 8.2279 8.2279 9.6320 9.6320 10.8552 10.8552 11.6015 11.6015 11.8321 11.8321 12.4223 12.4223 13.2567 13.2567 14.0509 14.0509 k = 0.5000 0.2148 0.6409 ( 3072 PWs) bands (ev): -73.2580 -73.2580 -42.0770 -42.0770 -37.6118 -37.6118 -37.6014 -37.6014 7.5820 7.5820 7.7584 7.7584 7.9418 7.9418 8.0811 8.0811 8.1694 8.1694 8.2154 8.2154 9.5990 9.5990 10.8604 10.8604 11.6389 11.6389 11.9301 11.9301 12.4198 12.4198 13.2609 13.2609 13.9618 13.9618 k = 0.5000 0.2148 0.6221 ( 3068 PWs) bands (ev): -73.2581 -73.2581 -42.0768 -42.0768 -37.6112 -37.6112 -37.6013 -37.6013 7.5516 7.5516 7.7458 7.7458 7.9014 7.9014 8.0560 8.0560 8.1697 8.1697 8.2127 8.2127 9.5652 9.5652 10.8641 10.8641 11.6732 11.6732 12.0315 12.0315 12.4197 12.4197 13.2743 13.2743 13.8736 13.8736 k = 0.5000 0.2148 0.6032 ( 3072 PWs) bands (ev): -73.2582 -73.2582 -42.0765 -42.0765 -37.6106 -37.6106 -37.6011 -37.6011 7.5112 7.5112 7.7299 7.7299 7.8626 7.8626 8.0276 8.0276 8.1759 8.1759 8.2182 8.2182 9.5307 9.5307 10.8665 10.8665 11.7039 11.7039 12.1358 12.1358 12.4219 12.4219 13.2970 13.2970 13.7863 13.7863 k = 0.5000 0.2148 0.5844 ( 3072 PWs) bands (ev): -73.2582 -73.2582 -42.0763 -42.0763 -37.6099 -37.6099 -37.6010 -37.6010 7.4628 7.4628 7.7107 7.7107 7.8265 7.8265 7.9988 7.9988 8.1830 8.1830 8.2312 8.2312 9.4955 9.4955 10.8679 10.8679 11.7307 11.7307 12.2426 12.2426 12.4265 12.4265 13.3287 13.3287 13.7002 13.7002 k = 0.5000 0.2148 0.5655 ( 3080 PWs) bands (ev): -73.2583 -73.2583 -42.0760 -42.0760 -37.6093 -37.6093 -37.6008 -37.6008 7.4083 7.4083 7.6884 7.6884 7.7929 7.7929 7.9704 7.9704 8.1904 8.1904 8.2498 8.2498 9.4596 9.4596 10.8684 10.8684 11.7536 11.7536 12.3499 12.3499 12.4349 12.4349 13.3685 13.3685 13.6154 13.6154 k = 0.5000 0.2148 0.5467 ( 3080 PWs) bands (ev): -73.2583 -73.2583 -42.0757 -42.0757 -37.6087 -37.6087 -37.6007 -37.6007 7.3500 7.3500 7.6635 7.6635 7.7612 7.7612 7.9422 7.9422 8.1988 8.1988 8.2720 8.2720 9.4232 9.4232 10.8683 10.8683 11.7728 11.7728 12.4256 12.4256 12.4786 12.4786 13.4148 13.4148 13.5320 13.5320 k = 0.5000 0.2148 0.5278 ( 3080 PWs) bands (ev): -73.2584 -73.2584 -42.0755 -42.0755 -37.6080 -37.6080 -37.6005 -37.6005 7.2895 7.2895 7.6362 7.6362 7.7311 7.7311 7.9139 7.9139 8.2087 8.2087 8.2965 8.2965 9.3864 9.3864 10.8677 10.8677 11.7884 11.7884 12.4405 12.4405 12.5864 12.5864 13.4462 13.4462 13.4696 13.4696 k = 0.5000 0.2148 0.5090 ( 3092 PWs) bands (ev): -73.2584 -73.2584 -42.0752 -42.0752 -37.6074 -37.6074 -37.6004 -37.6004 7.2281 7.2281 7.6069 7.6069 7.7021 7.7021 7.8851 7.8851 8.2200 8.2200 8.3223 8.3223 9.3490 9.3490 10.8668 10.8668 11.8010 11.8010 12.4502 12.4502 12.7022 12.7022 13.3682 13.3682 13.5197 13.5197 k = 0.5000 0.2148 0.4901 ( 3088 PWs) bands (ev): -73.2585 -73.2585 -42.0750 -42.0750 -37.6068 -37.6068 -37.6003 -37.6003 7.1669 7.1669 7.5761 7.5761 7.6742 7.6742 7.8558 7.8558 8.2328 8.2328 8.3491 8.3491 9.3114 9.3114 10.8658 10.8658 11.8110 11.8110 12.4598 12.4598 12.8205 12.8205 13.2893 13.2893 13.5697 13.5697 k = 0.5000 0.2148 0.4713 ( 3088 PWs) bands (ev): -73.2585 -73.2585 -42.0747 -42.0747 -37.6062 -37.6062 -37.6001 -37.6001 7.1063 7.1063 7.5443 7.5443 7.6473 7.6473 7.8259 7.8259 8.2468 8.2468 8.3766 8.3766 9.2735 9.2735 10.8648 10.8648 11.8190 11.8190 12.4695 12.4695 12.9402 12.9402 13.2123 13.2123 13.6119 13.6119 k = 0.5000 0.2148 0.4524 ( 3088 PWs) bands (ev): -73.2586 -73.2586 -42.0745 -42.0745 -37.6057 -37.6057 -37.6000 -37.6000 7.0469 7.0469 7.5118 7.5118 7.6211 7.6211 7.7955 7.7955 8.2618 8.2618 8.4044 8.4044 9.2354 9.2354 10.8639 10.8639 11.8253 11.8253 12.4792 12.4792 13.0589 13.0589 13.1396 13.1396 13.6398 13.6398 k = 0.5000 0.2148 0.4336 ( 3088 PWs) bands (ev): -73.2587 -73.2587 -42.0743 -42.0743 -37.6051 -37.6051 -37.5999 -37.5999 6.9890 6.9890 7.4792 7.4792 7.5957 7.5957 7.7646 7.7646 8.2776 8.2776 8.4324 8.4324 9.1975 9.1975 10.8631 10.8631 11.8304 11.8304 12.4889 12.4889 13.0587 13.0587 13.1886 13.1886 13.6478 13.6478 k = 0.5000 0.2148 0.4147 ( 3088 PWs) bands (ev): -73.2587 -73.2587 -42.0740 -42.0740 -37.6045 -37.6045 -37.5997 -37.5997 6.9329 6.9329 7.4466 7.4466 7.5708 7.5708 7.7335 7.7335 8.2940 8.2940 8.4602 8.4602 9.1598 9.1598 10.8626 10.8626 11.8346 11.8346 12.4984 12.4984 12.9882 12.9882 13.3105 13.3105 13.6336 13.6336 k = 0.5000 0.2148 0.3959 ( 3084 PWs) bands (ev): -73.2587 -73.2587 -42.0738 -42.0738 -37.6040 -37.6040 -37.5996 -37.5996 6.8787 6.8787 7.4145 7.4145 7.5466 7.5466 7.7025 7.7025 8.3108 8.3108 8.4878 8.4878 9.1226 9.1226 10.8624 10.8624 11.8382 11.8382 12.5077 12.5077 12.9186 12.9186 13.4336 13.4336 13.5994 13.5994 k = 0.5000 0.2148 0.3770 ( 3080 PWs) bands (ev): -73.2588 -73.2588 -42.0736 -42.0736 -37.6035 -37.6035 -37.5995 -37.5995 6.8267 6.8267 7.3829 7.3829 7.5231 7.5231 7.6716 7.6716 8.3279 8.3279 8.5149 8.5149 9.0862 9.0862 10.8625 10.8625 11.8415 11.8415 12.5166 12.5166 12.8510 12.8510 13.5419 13.5419 13.5643 13.5643 k = 0.5000 0.2148 0.3582 ( 3076 PWs) bands (ev): -73.2588 -73.2588 -42.0734 -42.0734 -37.6030 -37.6030 -37.5994 -37.5994 6.7768 6.7768 7.3522 7.3522 7.5001 7.5001 7.6412 7.6412 8.3451 8.3451 8.5413 8.5413 9.0508 9.0508 10.8630 10.8630 11.8445 11.8445 12.5250 12.5250 12.7856 12.7856 13.4874 13.4874 13.6809 13.6809 k = 0.5000 0.2148 0.3393 ( 3074 PWs) bands (ev): -73.2589 -73.2589 -42.0732 -42.0732 -37.6025 -37.6025 -37.5992 -37.5992 6.7291 6.7291 7.3224 7.3224 7.4777 7.4777 7.6115 7.6115 8.3622 8.3622 8.5666 8.5666 9.0167 9.0167 10.8638 10.8638 11.8475 11.8475 12.5327 12.5327 12.7227 12.7227 13.4206 13.4206 13.8018 13.8018 k = 0.5000 0.2148 0.3205 ( 3074 PWs) bands (ev): -73.2589 -73.2589 -42.0730 -42.0730 -37.6021 -37.6021 -37.5991 -37.5991 6.6838 6.6838 7.2936 7.2936 7.4560 7.4560 7.5826 7.5826 8.3792 8.3792 8.5905 8.5905 8.9845 8.9845 10.8649 10.8649 11.8505 11.8505 12.5396 12.5396 12.6626 12.6626 13.3505 13.3505 13.9204 13.9204 k = 0.5000 0.2148 0.3016 ( 3078 PWs) bands (ev): -73.2589 -73.2589 -42.0728 -42.0728 -37.6016 -37.6016 -37.5990 -37.5990 6.6409 6.6409 7.2661 7.2661 7.4349 7.4349 7.5549 7.5549 8.3959 8.3959 8.6125 8.6125 8.9547 8.9547 10.8664 10.8664 11.8535 11.8535 12.5445 12.5445 12.6064 12.6064 13.2792 13.2792 14.0353 14.0353 k = 0.5000 0.2148 0.2828 ( 3076 PWs) bands (ev): -73.2590 -73.2590 -42.0726 -42.0726 -37.6012 -37.6012 -37.5989 -37.5989 6.6005 6.6005 7.2398 7.2398 7.4146 7.4146 7.5285 7.5285 8.4122 8.4122 8.6320 8.6320 8.9281 8.9281 10.8681 10.8681 11.8567 11.8567 12.5351 12.5351 12.5665 12.5665 13.2083 13.2083 14.1450 14.1450 k = 0.5000 0.2148 0.2639 ( 3076 PWs) bands (ev): -73.2590 -73.2590 -42.0725 -42.0725 -37.6009 -37.6009 -37.5988 -37.5988 6.5625 6.5625 7.2149 7.2149 7.3948 7.3948 7.5036 7.5036 8.4278 8.4278 8.6480 8.6480 8.9056 8.9056 10.8700 10.8700 11.8599 11.8599 12.4907 12.4907 12.5638 12.5638 13.1390 13.1390 14.2475 14.2475 k = 0.5000 0.2148 0.2451 ( 3072 PWs) bands (ev): -73.2590 -73.2590 -42.0723 -42.0723 -37.6005 -37.6005 -37.5986 -37.5986 6.5271 6.5271 7.1915 7.1915 7.3759 7.3759 7.4804 7.4804 8.4427 8.4427 8.6596 8.6596 8.8884 8.8884 10.8722 10.8722 11.8632 11.8632 12.4423 12.4423 12.5674 12.5674 13.0721 13.0721 14.3403 14.3403 k = 0.5000 0.2148 0.2262 ( 3072 PWs) bands (ev): -73.2591 -73.2591 -42.0722 -42.0722 -37.6002 -37.6002 -37.5985 -37.5985 6.4942 6.4942 7.1696 7.1696 7.3576 7.3576 7.4590 7.4590 8.4565 8.4565 8.6658 8.6658 8.8774 8.8774 10.8745 10.8745 11.8665 11.8665 12.3961 12.3961 12.5712 12.5712 13.0083 13.0083 14.4209 14.4209 k = 0.5000 0.2148 0.2074 ( 3072 PWs) bands (ev): -73.2591 -73.2591 -42.0720 -42.0720 -37.5999 -37.5999 -37.5984 -37.5984 6.4639 6.4639 7.1492 7.1492 7.3402 7.3402 7.4394 7.4394 8.4691 8.4691 8.6665 8.6665 8.8729 8.8729 10.8769 10.8769 11.8698 11.8698 12.3527 12.3527 12.5746 12.5746 12.9481 12.9481 14.4875 14.4875 k = 0.5000 0.2148 0.1885 ( 3072 PWs) bands (ev): -73.2591 -73.2591 -42.0719 -42.0719 -37.5997 -37.5997 -37.5982 -37.5982 6.4361 6.4361 7.1304 7.1304 7.3236 7.3236 7.4218 7.4218 8.4804 8.4804 8.6625 8.6625 8.8744 8.8744 10.8793 10.8793 11.8731 11.8731 12.3125 12.3125 12.5773 12.5773 12.8921 12.8921 14.5401 14.5401 k = 0.5000 0.2148 0.1697 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0718 -42.0718 -37.5995 -37.5995 -37.5981 -37.5981 6.4109 6.4109 7.1133 7.1133 7.3081 7.3081 7.4061 7.4061 8.4899 8.4899 8.6557 8.6557 8.8800 8.8800 10.8818 10.8818 11.8763 11.8763 12.2756 12.2756 12.5793 12.5793 12.8407 12.8407 14.5803 14.5803 k = 0.5000 0.2148 0.1508 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0717 -42.0717 -37.5994 -37.5994 -37.5980 -37.5980 6.3884 6.3884 7.0978 7.0978 7.2938 7.2938 7.3923 7.3923 8.4974 8.4974 8.6479 8.6479 8.8882 8.8882 10.8841 10.8841 11.8793 11.8793 12.2423 12.2423 12.5805 12.5805 12.7944 12.7944 14.6104 14.6104 k = 0.5000 0.2148 0.1320 ( 3072 PWs) bands (ev): -73.2592 -73.2592 -42.0716 -42.0716 -37.5992 -37.5992 -37.5978 -37.5978 6.3685 6.3685 7.0841 7.0841 7.2807 7.2807 7.3804 7.3804 8.5028 8.5028 8.6404 8.6404 8.8976 8.8976 10.8863 10.8863 11.8821 11.8821 12.2125 12.2125 12.5806 12.5806 12.7536 12.7536 14.6331 14.6331 k = 0.5000 0.2148 0.1131 ( 3062 PWs) bands (ev): -73.2592 -73.2592 -42.0715 -42.0715 -37.5991 -37.5991 -37.5977 -37.5977 6.3512 6.3512 7.0723 7.0723 7.2692 7.2692 7.3702 7.3702 8.5060 8.5060 8.6344 8.6344 8.9071 8.9071 10.8884 10.8884 11.8848 11.8848 12.1864 12.1864 12.5795 12.5795 12.7189 12.7189 14.6501 14.6501 k = 0.5000 0.2148 0.0943 ( 3070 PWs) bands (ev): -73.2592 -73.2592 -42.0715 -42.0715 -37.5990 -37.5990 -37.5976 -37.5976 6.3365 6.3365 7.0621 7.0621 7.2590 7.2590 7.3617 7.3617 8.5073 8.5073 8.6300 8.6300 8.9159 8.9159 10.8902 10.8902 11.8871 11.8871 12.1642 12.1642 12.5768 12.5768 12.6908 12.6908 14.6629 14.6629 k = 0.5000 0.2148 0.0754 ( 3062 PWs) bands (ev): -73.2592 -73.2592 -42.0714 -42.0714 -37.5990 -37.5990 -37.5975 -37.5975 6.3245 6.3245 7.0538 7.0538 7.2507 7.2507 7.3548 7.3548 8.5072 8.5072 8.6274 8.6274 8.9237 8.9237 10.8918 10.8918 11.8891 11.8891 12.1459 12.1459 12.5724 12.5724 12.6696 12.6696 14.6723 14.6723 k = 0.5000 0.2148 0.0566 ( 3056 PWs) bands (ev): -73.2592 -73.2592 -42.0714 -42.0714 -37.5989 -37.5989 -37.5974 -37.5974 6.3152 6.3152 7.0474 7.0474 7.2441 7.2441 7.3496 7.3496 8.5062 8.5062 8.6260 8.6260 8.9301 8.9301 10.8931 10.8931 11.8907 11.8907 12.1315 12.1315 12.5670 12.5670 12.6550 12.6550 14.6791 14.6791 k = 0.5000 0.2148 0.0377 ( 3058 PWs) bands (ev): -73.2592 -73.2592 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3085 6.3085 7.0427 7.0427 7.2393 7.2393 7.3458 7.3458 8.5049 8.5049 8.6254 8.6254 8.9348 8.9348 10.8940 10.8940 11.8918 11.8918 12.1212 12.1212 12.5615 12.5615 12.6460 12.6460 14.6837 14.6837 k = 0.5000 0.2148 0.0189 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3045 6.3045 7.0399 7.0399 7.2364 7.2364 7.3436 7.3436 8.5039 8.5039 8.6251 8.6251 8.9376 8.9376 10.8945 10.8945 11.8926 11.8926 12.1150 12.1150 12.5575 12.5575 12.6413 12.6413 14.6864 14.6864 k = 0.5000 0.2148 0.0000 ( 3066 PWs) bands (ev): -73.2593 -73.2593 -42.0713 -42.0713 -37.5989 -37.5989 -37.5973 -37.5973 6.3032 6.3032 7.0389 7.0389 7.2355 7.2355 7.3429 7.3429 8.5036 8.5036 8.6251 8.6251 8.9386 8.9386 10.8947 10.8947 11.8928 11.8928 12.1129 12.1129 12.5561 12.5561 12.6398 12.6398 14.6873 14.6873 k = 0.0000 0.0000 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0221 7.0221 7.5960 7.5960 7.8143 7.8143 7.8794 7.8794 9.5926 9.5926 9.6388 9.6388 9.7745 9.7745 10.6212 10.6212 10.9701 10.9701 11.2048 11.2048 13.4582 13.4582 14.1184 14.1184 16.1678 16.1678 k = 0.0167 0.0072 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0228 7.0228 7.5956 7.5956 7.8142 7.8142 7.8785 7.8785 9.5927 9.5927 9.6394 9.6394 9.7760 9.7760 10.6212 10.6212 10.9460 10.9460 11.2309 11.2309 13.4516 13.4516 14.1205 14.1205 16.1751 16.1751 k = 0.0333 0.0143 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0250 7.0250 7.5943 7.5943 7.8141 7.8141 7.8760 7.8760 9.5927 9.5927 9.6410 9.6410 9.7808 9.7808 10.6209 10.6209 10.8920 10.8920 11.2910 11.2910 13.4321 13.4321 14.1268 14.1268 16.1967 16.1967 k = 0.0500 0.0215 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0286 7.0286 7.5922 7.5922 7.8140 7.8140 7.8719 7.8719 9.5927 9.5927 9.6436 9.6436 9.7886 9.7886 10.6204 10.6204 10.8279 10.8279 11.3652 11.3652 13.4004 13.4004 14.1370 14.1370 16.2032 16.2032 k = 0.0667 0.0286 1.2667 ( 3070 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0335 7.0335 7.5892 7.5892 7.8138 7.8138 7.8666 7.8666 9.5927 9.5927 9.6471 9.6471 9.7995 9.7995 10.6192 10.6192 10.7617 10.7617 11.4461 11.4461 13.3573 13.3573 14.1509 14.1509 16.1765 16.1765 k = 0.0833 0.0358 1.2667 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0395 7.0395 7.5854 7.5854 7.8136 7.8136 7.8602 7.8602 9.5927 9.5927 9.6515 9.6515 9.8135 9.8135 10.6160 10.6160 10.6974 10.6974 11.5309 11.5309 13.3041 13.3041 14.1682 14.1682 16.1434 16.1434 k = 0.1000 0.0430 1.2667 ( 3062 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0465 7.0465 7.5808 7.5808 7.8133 7.8133 7.8532 7.8532 9.5927 9.5927 9.6564 9.6564 9.8305 9.8305 10.6005 10.6005 10.6464 10.6464 11.6185 11.6185 13.2421 13.2421 14.1883 14.1883 16.1056 16.1056 k = 0.1167 0.0501 1.2667 ( 3066 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0542 7.0542 7.5754 7.5754 7.8129 7.8129 7.8459 7.8459 9.5926 9.5926 9.6617 9.6617 9.8505 9.8505 10.5516 10.5516 10.6305 10.6305 11.7081 11.7081 13.1726 13.1726 14.2106 14.2106 16.0648 16.0648 k = 0.1333 0.0573 1.2667 ( 3066 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0625 7.0625 7.5695 7.5695 7.8124 7.8124 7.8388 7.8388 9.5924 9.5924 9.6671 9.6671 9.8734 9.8734 10.4920 10.4920 10.6272 10.6272 11.7995 11.7995 13.0968 13.0968 14.2342 14.2342 16.0224 16.0224 k = 0.1500 0.0644 1.2667 ( 3066 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0708 7.0708 7.5632 7.5632 7.8117 7.8117 7.8322 7.8322 9.5923 9.5923 9.6724 9.6724 9.8992 9.8992 10.4325 10.4325 10.6259 10.6259 11.8923 11.8923 13.0158 13.0158 14.2582 14.2582 15.9803 15.9803 k = 0.1667 0.0716 1.2667 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0789 7.0789 7.5569 7.5569 7.8108 7.8108 7.8267 7.8267 9.5922 9.5922 9.6773 9.6773 9.9278 9.9278 10.3748 10.3748 10.6253 10.6253 11.9862 11.9862 12.9307 12.9307 14.2816 14.2816 15.9403 15.9403 k = 0.1833 0.0788 1.2667 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0863 7.0863 7.5509 7.5509 7.8094 7.8094 7.8224 7.8224 9.5921 9.5921 9.6817 9.6817 9.9592 9.9592 10.3194 10.3194 10.6250 10.6250 12.0811 12.0811 12.8421 12.8421 14.3032 14.3032 15.9042 15.9042 k = 0.2000 0.0859 1.2667 ( 3056 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0927 7.0927 7.5456 7.5456 7.8076 7.8076 7.8198 7.8198 9.5920 9.5920 9.6853 9.6853 9.9929 9.9929 10.2668 10.2668 10.6247 10.6247 12.1766 12.1766 12.7511 12.7511 14.3217 14.3217 15.8738 15.8738 k = 0.2167 0.0931 1.2667 ( 3056 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.0976 7.0976 7.5414 7.5414 7.8058 7.8058 7.8183 7.8183 9.5920 9.5920 9.6879 9.6879 10.0285 10.0285 10.2177 10.2177 10.6245 10.6245 12.2725 12.2725 12.6581 12.6581 14.3360 14.3360 15.8507 15.8507 k = 0.2333 0.1002 1.2667 ( 3060 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1007 7.1007 7.5387 7.5387 7.8044 7.8044 7.8177 7.8177 9.5919 9.5919 9.6895 9.6895 10.0633 10.0633 10.1748 10.1748 10.6244 10.6244 12.3684 12.3684 12.5639 12.5639 14.3450 14.3450 15.8363 15.8363 k = 0.2500 0.1074 1.2667 ( 3064 PWs) bands (ev): -73.2569 -73.2569 -42.0826 -42.0826 -37.6250 -37.6250 -37.6046 -37.6046 7.1017 7.1017 7.5379 7.5379 7.8037 7.8037 7.8176 7.8176 9.5918 9.5918 9.6900 9.6900 10.0823 10.0823 10.1531 10.1531 10.6243 10.6243 12.4548 12.4548 12.4780 12.4780 14.3482 14.3482 15.8312 15.8312 Writing output data file Zr2Pd.save init_run : 0.26s CPU 0.42s WALL ( 1 calls) electrons : 192.28s CPU 195.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 192.27s CPU 195.01s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 411 calls) cegterg : 172.06s CPU 174.00s WALL ( 636 calls) Called by sum_band: Called by *egterg: h_psi : 137.22s CPU 138.94s WALL ( 10606 calls) s_psi : 1.42s CPU 1.33s WALL ( 10606 calls) g_psi : 0.15s CPU 0.16s WALL ( 9559 calls) cdiaghg : 41.28s CPU 41.66s WALL ( 9970 calls) cegterg:over : 3.33s CPU 3.43s WALL ( 9559 calls) cegterg:upda : 2.81s CPU 2.97s WALL ( 9559 calls) cegterg:last : 1.66s CPU 1.68s WALL ( 1751 calls) cdiaghg:chol : 2.03s CPU 2.27s WALL ( 9970 calls) cdiaghg:inve : 1.13s CPU 1.13s WALL ( 9970 calls) cdiaghg:para : 2.45s CPU 2.45s WALL ( 19940 calls) Called by h_psi: h_psi:vloc : 132.89s CPU 134.40s WALL ( 10606 calls) h_psi:vnl : 4.21s CPU 4.40s WALL ( 10606 calls) add_vuspsi : 2.07s CPU 2.16s WALL ( 10606 calls) General routines calbec : 2.12s CPU 2.21s WALL ( 10606 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.97s CPU 121.24s WALL ( 747044 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.22s WALL ( 822 calls) Parallel routines fft_scatter : 35.37s CPU 35.67s WALL ( 747067 calls) PWSCF : 3m24.72s CPU 4m37.84s WALL This run was terminated on: 21:19:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=