Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:11:56 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: ./Rb.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 24 7 588 228 42 Max 45 25 8 590 240 45 Sum 1611 869 285 21209 8431 1573 bravais-lattice index = 14 lattice parameter (alat) = 10.8721 a.u. unit-cell volume = 301.7644 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.872125 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.874447 celldm(5)= -0.874447 celldm(6)= 0.748893 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.748893 0.662690 0.000000 ) a(3) = ( -0.874447 -0.331345 0.354335 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.130080 1.411094 ) b(2) = ( 0.000000 1.509000 1.411094 ) b(3) = ( 0.000000 0.000000 2.822188 ) PseudoPot. # 1 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Rb 9.00 85.46780 Rb( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.8744467 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3313452 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.3744467 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.3313452 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0000000 0.0000000 0.0180910), wk = 0.0021739 k( 3) = ( 0.0000000 0.0000000 0.0361819), wk = 0.0021739 k( 4) = ( 0.0000000 0.0000000 0.0542729), wk = 0.0021739 k( 5) = ( 0.0000000 0.0000000 0.0723638), wk = 0.0021739 k( 6) = ( 0.0000000 0.0000000 0.0904547), wk = 0.0021739 k( 7) = ( 0.0000000 0.0000000 0.1085457), wk = 0.0021739 k( 8) = ( 0.0000000 0.0000000 0.1266366), wk = 0.0021739 k( 9) = ( 0.0000000 0.0000000 0.1447276), wk = 0.0021739 k( 10) = ( 0.0000000 0.0000000 0.1628186), wk = 0.0021739 k( 11) = ( 0.0000000 0.0000000 0.1809095), wk = 0.0021739 k( 12) = ( 0.0000000 0.0000000 0.1990004), wk = 0.0021739 k( 13) = ( 0.0000000 0.0000000 0.2170914), wk = 0.0021739 k( 14) = ( 0.0000000 0.0000000 0.2351823), wk = 0.0021739 k( 15) = ( 0.0000000 0.0000000 0.2532733), wk = 0.0021739 k( 16) = ( 0.0000000 0.0000000 0.2713643), wk = 0.0021739 k( 17) = ( 0.0000000 0.0000000 0.2894552), wk = 0.0021739 k( 18) = ( 0.0000000 0.0000000 0.3075461), wk = 0.0021739 k( 19) = ( 0.0000000 0.0000000 0.3256371), wk = 0.0021739 k( 20) = ( 0.0000000 0.0000000 0.3437280), wk = 0.0021739 k( 21) = ( 0.0000000 0.0000000 0.3618190), wk = 0.0021739 k( 22) = ( 0.0000000 0.0000000 0.3799099), wk = 0.0021739 k( 23) = ( 0.0000000 0.0000000 0.3980009), wk = 0.0021739 k( 24) = ( 0.0000000 0.0000000 0.4160918), wk = 0.0021739 k( 25) = ( 0.0000000 0.0000000 0.4341828), wk = 0.0021739 k( 26) = ( 0.0000000 0.0000000 0.4522737), wk = 0.0021739 k( 27) = ( 0.0000000 0.0000000 0.4703647), wk = 0.0021739 k( 28) = ( 0.0000000 0.0000000 0.4884556), wk = 0.0021739 k( 29) = ( 0.0000000 0.0000000 0.5065466), wk = 0.0021739 k( 30) = ( 0.0000000 0.0000000 0.5246375), wk = 0.0021739 k( 31) = ( 0.0000000 0.0000000 0.5427285), wk = 0.0021739 k( 32) = ( 0.0000000 0.0000000 0.5608194), wk = 0.0021739 k( 33) = ( 0.0000000 0.0000000 0.5789104), wk = 0.0021739 k( 34) = ( 0.0000000 0.0000000 0.5970013), wk = 0.0021739 k( 35) = ( 0.0000000 0.0000000 0.6150923), wk = 0.0021739 k( 36) = ( 0.0000000 0.0000000 0.6331832), wk = 0.0021739 k( 37) = ( 0.0000000 0.0000000 0.6512742), wk = 0.0021739 k( 38) = ( 0.0000000 0.0000000 0.6693651), wk = 0.0021739 k( 39) = ( 0.0000000 0.0000000 0.6874561), wk = 0.0021739 k( 40) = ( 0.0000000 0.0000000 0.7055470), wk = 0.0021739 k( 41) = ( 0.0000000 0.0000000 0.7236380), wk = 0.0021739 k( 42) = ( 0.0000000 0.0000000 0.7417289), wk = 0.0021739 k( 43) = ( 0.0000000 0.0000000 0.7598199), wk = 0.0021739 k( 44) = ( 0.0000000 0.0000000 0.7779108), wk = 0.0021739 k( 45) = ( 0.0000000 0.0000000 0.7960018), wk = 0.0021739 k( 46) = ( 0.0000000 0.0000000 0.8140927), wk = 0.0021739 k( 47) = ( 0.0000000 0.0000000 0.8321837), wk = 0.0021739 k( 48) = ( 0.0000000 0.0000000 0.8502746), wk = 0.0021739 k( 49) = ( 0.0000000 0.0000000 0.8683656), wk = 0.0021739 k( 50) = ( 0.0000000 0.0000000 0.8864565), wk = 0.0021739 k( 51) = ( 0.0000000 0.0000000 0.9045475), wk = 0.0021739 k( 52) = ( 0.0000000 0.0000000 0.9226384), wk = 0.0021739 k( 53) = ( 0.0000000 0.0000000 0.9407294), wk = 0.0021739 k( 54) = ( 0.0000000 0.0000000 0.9588203), wk = 0.0021739 k( 55) = ( 0.0000000 0.0000000 0.9769113), wk = 0.0021739 k( 56) = ( 0.0000000 0.0000000 0.9950022), wk = 0.0021739 k( 57) = ( 0.0000000 0.0000000 1.0130932), wk = 0.0021739 k( 58) = ( 0.0000000 0.0000000 1.0311841), wk = 0.0021739 k( 59) = ( 0.0000000 0.0000000 1.0492751), wk = 0.0021739 k( 60) = ( 0.0000000 0.0000000 1.0673660), wk = 0.0021739 k( 61) = ( 0.0000000 0.0000000 1.0854569), wk = 0.0021739 k( 62) = ( 0.0000000 0.0000000 1.1035479), wk = 0.0021739 k( 63) = ( 0.0000000 0.0000000 1.1216389), wk = 0.0021739 k( 64) = ( 0.0000000 0.0000000 1.1397298), wk = 0.0021739 k( 65) = ( 0.0000000 0.0000000 1.1578208), wk = 0.0021739 k( 66) = ( 0.0000000 0.0000000 1.1759117), wk = 0.0021739 k( 67) = ( 0.0000000 0.0000000 1.1940026), wk = 0.0021739 k( 68) = ( 0.0000000 0.0000000 1.2120936), wk = 0.0021739 k( 69) = ( 0.0000000 0.0000000 1.2301846), wk = 0.0021739 k( 70) = ( 0.0000000 0.0000000 1.2482755), wk = 0.0021739 k( 71) = ( 0.0000000 0.0000000 1.2663665), wk = 0.0021739 k( 72) = ( 0.0000000 0.0000000 1.2844574), wk = 0.0021739 k( 73) = ( 0.0000000 0.0000000 1.3025483), wk = 0.0021739 k( 74) = ( 0.0000000 0.0000000 1.3206393), wk = 0.0021739 k( 75) = ( 0.0000000 0.0000000 1.3387302), wk = 0.0021739 k( 76) = ( 0.0000000 0.0000000 1.3568212), wk = 0.0021739 k( 77) = ( 0.0000000 0.0000000 1.3749122), wk = 0.0021739 k( 78) = ( 0.0000000 0.0000000 1.3930031), wk = 0.0021739 k( 79) = ( 0.0000000 0.0000000 1.4110941), wk = 0.0021739 k( 80) = ( 0.0000000 0.0000000 1.4110941), wk = 0.0021739 k( 81) = ( -0.0059825 0.0157883 1.4110941), wk = 0.0021739 k( 82) = ( -0.0119650 0.0315767 1.4110941), wk = 0.0021739 k( 83) = ( -0.0179475 0.0473650 1.4110941), wk = 0.0021739 k( 84) = ( -0.0239300 0.0631533 1.4110941), wk = 0.0021739 k( 85) = ( -0.0299125 0.0789416 1.4110941), wk = 0.0021739 k( 86) = ( -0.0358951 0.0947300 1.4110941), wk = 0.0021739 k( 87) = ( -0.0358951 0.0947300 1.4110941), wk = 0.0021739 k( 88) = ( -0.0404451 0.1067379 1.3982530), wk = 0.0021739 k( 89) = ( -0.0449952 0.1187458 1.3854119), wk = 0.0021739 k( 90) = ( -0.0495452 0.1307538 1.3725708), wk = 0.0021739 k( 91) = ( -0.0540953 0.1427617 1.3597297), wk = 0.0021739 k( 92) = ( -0.0586453 0.1547697 1.3468886), wk = 0.0021739 k( 93) = ( -0.0631954 0.1667776 1.3340475), wk = 0.0021739 k( 94) = ( -0.0677454 0.1787856 1.3212064), wk = 0.0021739 k( 95) = ( -0.0722954 0.1907935 1.3083653), wk = 0.0021739 k( 96) = ( -0.0768455 0.2028015 1.2955242), wk = 0.0021739 k( 97) = ( -0.0813955 0.2148094 1.2826831), wk = 0.0021739 k( 98) = ( -0.0859456 0.2268174 1.2698420), wk = 0.0021739 k( 99) = ( -0.0904956 0.2388253 1.2570009), wk = 0.0021739 k( 100) = ( -0.0950457 0.2508332 1.2441598), wk = 0.0021739 k( 101) = ( -0.0995957 0.2628412 1.2313187), wk = 0.0021739 k( 102) = ( -0.1041458 0.2748491 1.2184777), wk = 0.0021739 k( 103) = ( -0.1086958 0.2868571 1.2056366), wk = 0.0021739 k( 104) = ( -0.1132459 0.2988650 1.1927955), wk = 0.0021739 k( 105) = ( -0.1177959 0.3108730 1.1799544), wk = 0.0021739 k( 106) = ( -0.1223460 0.3228809 1.1671133), wk = 0.0021739 k( 107) = ( -0.1268960 0.3348888 1.1542722), wk = 0.0021739 k( 108) = ( -0.1314461 0.3468968 1.1414311), wk = 0.0021739 k( 109) = ( -0.1359961 0.3589047 1.1285900), wk = 0.0021739 k( 110) = ( -0.1405462 0.3709127 1.1157489), wk = 0.0021739 k( 111) = ( -0.1450962 0.3829206 1.1029078), wk = 0.0021739 k( 112) = ( -0.1496463 0.3949285 1.0900667), wk = 0.0021739 k( 113) = ( -0.1541963 0.4069365 1.0772256), wk = 0.0021739 k( 114) = ( -0.1587464 0.4189444 1.0643845), wk = 0.0021739 k( 115) = ( -0.1632964 0.4309524 1.0515435), wk = 0.0021739 k( 116) = ( -0.1678465 0.4429603 1.0387024), wk = 0.0021739 k( 117) = ( -0.1723965 0.4549683 1.0258613), wk = 0.0021739 k( 118) = ( -0.1769466 0.4669762 1.0130202), wk = 0.0021739 k( 119) = ( -0.1814966 0.4789842 1.0001791), wk = 0.0021739 k( 120) = ( -0.1860467 0.4909921 0.9873380), wk = 0.0021739 k( 121) = ( -0.1905967 0.5030001 0.9744969), wk = 0.0021739 k( 122) = ( -0.1951468 0.5150080 0.9616558), wk = 0.0021739 k( 123) = ( -0.1996968 0.5270159 0.9488147), wk = 0.0021739 k( 124) = ( -0.2042469 0.5390239 0.9359736), wk = 0.0021739 k( 125) = ( -0.2087969 0.5510318 0.9231325), wk = 0.0021739 k( 126) = ( -0.2133470 0.5630398 0.9102914), wk = 0.0021739 k( 127) = ( -0.2178970 0.5750477 0.8974503), wk = 0.0021739 k( 128) = ( -0.2224471 0.5870557 0.8846093), wk = 0.0021739 k( 129) = ( -0.2269971 0.5990636 0.8717682), wk = 0.0021739 k( 130) = ( -0.2315472 0.6110716 0.8589271), wk = 0.0021739 k( 131) = ( -0.2360972 0.6230795 0.8460860), wk = 0.0021739 k( 132) = ( -0.2406472 0.6350874 0.8332449), wk = 0.0021739 k( 133) = ( -0.2451973 0.6470954 0.8204038), wk = 0.0021739 k( 134) = ( -0.2497473 0.6591033 0.8075627), wk = 0.0021739 k( 135) = ( -0.2542974 0.6711113 0.7947216), wk = 0.0021739 k( 136) = ( -0.2588474 0.6831192 0.7818805), wk = 0.0021739 k( 137) = ( -0.2633975 0.6951271 0.7690394), wk = 0.0021739 k( 138) = ( -0.2679475 0.7071351 0.7561983), wk = 0.0021739 k( 139) = ( -0.2679475 0.7071351 0.7561983), wk = 0.0021739 k( 140) = ( -0.2634061 0.6951498 0.7433814), wk = 0.0021739 k( 141) = ( -0.2588646 0.6831644 0.7305645), wk = 0.0021739 k( 142) = ( -0.2543231 0.6711791 0.7177476), wk = 0.0021739 k( 143) = ( -0.2497816 0.6591937 0.7049307), wk = 0.0021739 k( 144) = ( -0.2452401 0.6472084 0.6921137), wk = 0.0021739 k( 145) = ( -0.2406986 0.6352231 0.6792968), wk = 0.0021739 k( 146) = ( -0.2361572 0.6232377 0.6664799), wk = 0.0021739 k( 147) = ( -0.2316157 0.6112524 0.6536630), wk = 0.0021739 k( 148) = ( -0.2270742 0.5992670 0.6408460), wk = 0.0021739 k( 149) = ( -0.2225327 0.5872817 0.6280291), wk = 0.0021739 k( 150) = ( -0.2179912 0.5752963 0.6152122), wk = 0.0021739 k( 151) = ( -0.2134497 0.5633110 0.6023953), wk = 0.0021739 k( 152) = ( -0.2089082 0.5513257 0.5895784), wk = 0.0021739 k( 153) = ( -0.2043668 0.5393403 0.5767614), wk = 0.0021739 k( 154) = ( -0.1998253 0.5273550 0.5639445), wk = 0.0021739 k( 155) = ( -0.1952838 0.5153696 0.5511276), wk = 0.0021739 k( 156) = ( -0.1907423 0.5033843 0.5383107), wk = 0.0021739 k( 157) = ( -0.1862008 0.4913990 0.5254938), wk = 0.0021739 k( 158) = ( -0.1816593 0.4794136 0.5126768), wk = 0.0021739 k( 159) = ( -0.1771179 0.4674283 0.4998599), wk = 0.0021739 k( 160) = ( -0.1725764 0.4554430 0.4870430), wk = 0.0021739 k( 161) = ( -0.1680349 0.4434576 0.4742261), wk = 0.0021739 k( 162) = ( -0.1634934 0.4314723 0.4614092), wk = 0.0021739 k( 163) = ( -0.1589519 0.4194869 0.4485922), wk = 0.0021739 k( 164) = ( -0.1544104 0.4075016 0.4357753), wk = 0.0021739 k( 165) = ( -0.1498690 0.3955162 0.4229584), wk = 0.0021739 k( 166) = ( -0.1453275 0.3835309 0.4101415), wk = 0.0021739 k( 167) = ( -0.1407860 0.3715456 0.3973245), wk = 0.0021739 k( 168) = ( -0.1362445 0.3595602 0.3845076), wk = 0.0021739 k( 169) = ( -0.1317030 0.3475749 0.3716907), wk = 0.0021739 k( 170) = ( -0.1271615 0.3355895 0.3588738), wk = 0.0021739 k( 171) = ( -0.1226201 0.3236042 0.3460569), wk = 0.0021739 k( 172) = ( -0.1180786 0.3116188 0.3332399), wk = 0.0021739 k( 173) = ( -0.1135371 0.2996335 0.3204230), wk = 0.0021739 k( 174) = ( -0.1089956 0.2876482 0.3076061), wk = 0.0021739 k( 175) = ( -0.1044541 0.2756628 0.2947892), wk = 0.0021739 k( 176) = ( -0.0999126 0.2636775 0.2819723), wk = 0.0021739 k( 177) = ( -0.0953712 0.2516922 0.2691554), wk = 0.0021739 k( 178) = ( -0.0908297 0.2397068 0.2563384), wk = 0.0021739 k( 179) = ( -0.0862882 0.2277215 0.2435215), wk = 0.0021739 k( 180) = ( -0.0817467 0.2157361 0.2307046), wk = 0.0021739 k( 181) = ( -0.0772052 0.2037508 0.2178877), wk = 0.0021739 k( 182) = ( -0.0726637 0.1917655 0.2050707), wk = 0.0021739 k( 183) = ( -0.0681222 0.1797801 0.1922538), wk = 0.0021739 k( 184) = ( -0.0635808 0.1677948 0.1794369), wk = 0.0021739 k( 185) = ( -0.0590393 0.1558094 0.1666200), wk = 0.0021739 k( 186) = ( -0.0544978 0.1438241 0.1538030), wk = 0.0021739 k( 187) = ( -0.0499563 0.1318387 0.1409861), wk = 0.0021739 k( 188) = ( -0.0454148 0.1198534 0.1281692), wk = 0.0021739 k( 189) = ( -0.0408734 0.1078681 0.1153523), wk = 0.0021739 k( 190) = ( -0.0363319 0.0958827 0.1025354), wk = 0.0021739 k( 191) = ( -0.0317904 0.0838974 0.0897185), wk = 0.0021739 k( 192) = ( -0.0272489 0.0719120 0.0769015), wk = 0.0021739 k( 193) = ( -0.0227074 0.0599267 0.0640846), wk = 0.0021739 k( 194) = ( -0.0181659 0.0479414 0.0512677), wk = 0.0021739 k( 195) = ( -0.0136244 0.0359560 0.0384508), wk = 0.0021739 k( 196) = ( -0.0090830 0.0239707 0.0256338), wk = 0.0021739 k( 197) = ( -0.0045415 0.0119853 0.0128169), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 200) = ( 0.0166667 0.0063153 -0.0000000), wk = 0.0021739 k( 201) = ( 0.0333333 0.0126307 -0.0000000), wk = 0.0021739 k( 202) = ( 0.0500000 0.0189460 -0.0000000), wk = 0.0021739 k( 203) = ( 0.0666667 0.0252613 -0.0000000), wk = 0.0021739 k( 204) = ( 0.0833333 0.0315767 -0.0000000), wk = 0.0021739 k( 205) = ( 0.1000000 0.0378920 -0.0000000), wk = 0.0021739 k( 206) = ( 0.1166667 0.0442073 -0.0000000), wk = 0.0021739 k( 207) = ( 0.1333333 0.0505226 -0.0000000), wk = 0.0021739 k( 208) = ( 0.1500000 0.0568380 -0.0000000), wk = 0.0021739 k( 209) = ( 0.1666667 0.0631533 -0.0000000), wk = 0.0021739 k( 210) = ( 0.1833333 0.0694686 -0.0000000), wk = 0.0021739 k( 211) = ( 0.2000000 0.0757840 -0.0000000), wk = 0.0021739 k( 212) = ( 0.2166667 0.0820993 -0.0000000), wk = 0.0021739 k( 213) = ( 0.2333333 0.0884146 -0.0000000), wk = 0.0021739 k( 214) = ( 0.2500000 0.0947300 -0.0000000), wk = 0.0021739 k( 215) = ( 0.2666667 0.1010453 -0.0000000), wk = 0.0021739 k( 216) = ( 0.2833333 0.1073606 -0.0000000), wk = 0.0021739 k( 217) = ( 0.3000000 0.1136760 -0.0000000), wk = 0.0021739 k( 218) = ( 0.3166667 0.1199913 -0.0000000), wk = 0.0021739 k( 219) = ( 0.3333333 0.1263066 -0.0000000), wk = 0.0021739 k( 220) = ( 0.3500000 0.1326220 -0.0000000), wk = 0.0021739 k( 221) = ( 0.3666667 0.1389373 -0.0000000), wk = 0.0021739 k( 222) = ( 0.3833333 0.1452526 -0.0000000), wk = 0.0021739 k( 223) = ( 0.4000000 0.1515679 -0.0000000), wk = 0.0021739 k( 224) = ( 0.4166667 0.1578833 -0.0000000), wk = 0.0021739 k( 225) = ( 0.4333333 0.1641986 -0.0000000), wk = 0.0021739 k( 226) = ( 0.4500000 0.1705139 -0.0000000), wk = 0.0021739 k( 227) = ( 0.4666667 0.1768293 -0.0000000), wk = 0.0021739 k( 228) = ( 0.4833333 0.1831446 -0.0000000), wk = 0.0021739 k( 229) = ( 0.5000000 0.1894599 -0.0000000), wk = 0.0021739 k( 230) = ( 0.5000000 0.1894599 -0.0000000), wk = 0.0021739 k( 231) = ( 0.4954499 0.2014679 0.0128411), wk = 0.0021739 k( 232) = ( 0.4908999 0.2134758 0.0256822), wk = 0.0021739 k( 233) = ( 0.4863498 0.2254838 0.0385233), wk = 0.0021739 k( 234) = ( 0.4817998 0.2374917 0.0513644), wk = 0.0021739 k( 235) = ( 0.4772498 0.2494996 0.0642055), wk = 0.0021739 k( 236) = ( 0.4726997 0.2615076 0.0770466), wk = 0.0021739 k( 237) = ( 0.4681497 0.2735155 0.0898877), wk = 0.0021739 k( 238) = ( 0.4635996 0.2855235 0.1027287), wk = 0.0021739 k( 239) = ( 0.4590496 0.2975314 0.1155698), wk = 0.0021739 k( 240) = ( 0.4544995 0.3095394 0.1284109), wk = 0.0021739 k( 241) = ( 0.4499495 0.3215473 0.1412520), wk = 0.0021739 k( 242) = ( 0.4453994 0.3335553 0.1540931), wk = 0.0021739 k( 243) = ( 0.4408494 0.3455632 0.1669342), wk = 0.0021739 k( 244) = ( 0.4362993 0.3575712 0.1797753), wk = 0.0021739 k( 245) = ( 0.4317493 0.3695791 0.1926164), wk = 0.0021739 k( 246) = ( 0.4271992 0.3815870 0.2054575), wk = 0.0021739 k( 247) = ( 0.4226492 0.3935950 0.2182986), wk = 0.0021739 k( 248) = ( 0.4180991 0.4056029 0.2311397), wk = 0.0021739 k( 249) = ( 0.4135491 0.4176109 0.2439808), wk = 0.0021739 k( 250) = ( 0.4089990 0.4296188 0.2568219), wk = 0.0021739 k( 251) = ( 0.4044490 0.4416268 0.2696630), wk = 0.0021739 k( 252) = ( 0.3998989 0.4536347 0.2825040), wk = 0.0021739 k( 253) = ( 0.3953489 0.4656426 0.2953451), wk = 0.0021739 k( 254) = ( 0.3907988 0.4776506 0.3081862), wk = 0.0021739 k( 255) = ( 0.3862488 0.4896585 0.3210273), wk = 0.0021739 k( 256) = ( 0.3816987 0.5016665 0.3338684), wk = 0.0021739 k( 257) = ( 0.3771487 0.5136744 0.3467095), wk = 0.0021739 k( 258) = ( 0.3725986 0.5256823 0.3595506), wk = 0.0021739 k( 259) = ( 0.3680486 0.5376903 0.3723917), wk = 0.0021739 k( 260) = ( 0.3634985 0.5496982 0.3852328), wk = 0.0021739 k( 261) = ( 0.3589485 0.5617062 0.3980739), wk = 0.0021739 k( 262) = ( 0.3543984 0.5737141 0.4109150), wk = 0.0021739 k( 263) = ( 0.3498484 0.5857221 0.4237561), wk = 0.0021739 k( 264) = ( 0.3452984 0.5977300 0.4365971), wk = 0.0021739 k( 265) = ( 0.3407483 0.6097380 0.4494382), wk = 0.0021739 k( 266) = ( 0.3361983 0.6217459 0.4622793), wk = 0.0021739 k( 267) = ( 0.3316482 0.6337538 0.4751204), wk = 0.0021739 k( 268) = ( 0.3270982 0.6457618 0.4879615), wk = 0.0021739 k( 269) = ( 0.3225481 0.6577697 0.5008026), wk = 0.0021739 k( 270) = ( 0.3179981 0.6697777 0.5136437), wk = 0.0021739 k( 271) = ( 0.3134480 0.6817856 0.5264848), wk = 0.0021739 k( 272) = ( 0.3088980 0.6937936 0.5393259), wk = 0.0021739 k( 273) = ( 0.3043479 0.7058015 0.5521670), wk = 0.0021739 k( 274) = ( 0.2997979 0.7178095 0.5650081), wk = 0.0021739 k( 275) = ( 0.2952478 0.7298174 0.5778492), wk = 0.0021739 k( 276) = ( 0.2906978 0.7418254 0.5906903), wk = 0.0021739 k( 277) = ( 0.2861477 0.7538333 0.6035313), wk = 0.0021739 k( 278) = ( 0.2815977 0.7658412 0.6163724), wk = 0.0021739 k( 279) = ( 0.2770476 0.7778492 0.6292135), wk = 0.0021739 k( 280) = ( 0.2724976 0.7898571 0.6420546), wk = 0.0021739 k( 281) = ( 0.2679475 0.8018651 0.6548957), wk = 0.0021739 k( 282) = ( 0.2679475 0.8018651 0.6548957), wk = 0.0021739 k( 283) = ( 0.2512008 0.7989048 0.6580614), wk = 0.0021739 k( 284) = ( 0.2344541 0.7959444 0.6612271), wk = 0.0021739 k( 285) = ( 0.2177074 0.7929841 0.6643928), wk = 0.0021739 k( 286) = ( 0.2009606 0.7900238 0.6675585), wk = 0.0021739 k( 287) = ( 0.1842139 0.7870635 0.6707242), wk = 0.0021739 k( 288) = ( 0.1674672 0.7841032 0.6738899), wk = 0.0021739 k( 289) = ( 0.1507205 0.7811429 0.6770557), wk = 0.0021739 k( 290) = ( 0.1339738 0.7781826 0.6802214), wk = 0.0021739 k( 291) = ( 0.1172270 0.7752222 0.6833871), wk = 0.0021739 k( 292) = ( 0.1004803 0.7722620 0.6865528), wk = 0.0021739 k( 293) = ( 0.0837336 0.7693016 0.6897185), wk = 0.0021739 k( 294) = ( 0.0669869 0.7663413 0.6928842), wk = 0.0021739 k( 295) = ( 0.0502402 0.7633810 0.6960499), wk = 0.0021739 k( 296) = ( 0.0334934 0.7604207 0.6992156), wk = 0.0021739 k( 297) = ( 0.0167467 0.7574604 0.7023813), wk = 0.0021739 k( 298) = ( 0.0000000 0.7545001 0.7055470), wk = 0.0021739 k( 299) = ( 0.0000000 0.7545001 0.7055470), wk = 0.0021739 k( 300) = ( 0.0045455 0.7425043 0.7183751), wk = 0.0021739 k( 301) = ( 0.0090909 0.7305084 0.7312033), wk = 0.0021739 k( 302) = ( 0.0136364 0.7185126 0.7440314), wk = 0.0021739 k( 303) = ( 0.0181818 0.7065168 0.7568595), wk = 0.0021739 k( 304) = ( 0.0227273 0.6945210 0.7696877), wk = 0.0021739 k( 305) = ( 0.0272727 0.6825252 0.7825158), wk = 0.0021739 k( 306) = ( 0.0318182 0.6705293 0.7953439), wk = 0.0021739 k( 307) = ( 0.0363636 0.6585335 0.8081721), wk = 0.0021739 k( 308) = ( 0.0409091 0.6465377 0.8210002), wk = 0.0021739 k( 309) = ( 0.0454546 0.6345419 0.8338283), wk = 0.0021739 k( 310) = ( 0.0500000 0.6225461 0.8466564), wk = 0.0021739 k( 311) = ( 0.0545455 0.6105502 0.8594845), wk = 0.0021739 k( 312) = ( 0.0590909 0.5985544 0.8723127), wk = 0.0021739 k( 313) = ( 0.0636364 0.5865586 0.8851408), wk = 0.0021739 k( 314) = ( 0.0681818 0.5745628 0.8979689), wk = 0.0021739 k( 315) = ( 0.0727273 0.5625670 0.9107971), wk = 0.0021739 k( 316) = ( 0.0772727 0.5505711 0.9236252), wk = 0.0021739 k( 317) = ( 0.0818182 0.5385753 0.9364533), wk = 0.0021739 k( 318) = ( 0.0863636 0.5265795 0.9492815), wk = 0.0021739 k( 319) = ( 0.0909091 0.5145837 0.9621096), wk = 0.0021739 k( 320) = ( 0.0954545 0.5025878 0.9749377), wk = 0.0021739 k( 321) = ( 0.1000000 0.4905920 0.9877658), wk = 0.0021739 k( 322) = ( 0.1045454 0.4785962 1.0005939), wk = 0.0021739 k( 323) = ( 0.1090909 0.4666004 1.0134221), wk = 0.0021739 k( 324) = ( 0.1136364 0.4546046 1.0262502), wk = 0.0021739 k( 325) = ( 0.1181818 0.4426087 1.0390784), wk = 0.0021739 k( 326) = ( 0.1227273 0.4306129 1.0519065), wk = 0.0021739 k( 327) = ( 0.1272727 0.4186171 1.0647346), wk = 0.0021739 k( 328) = ( 0.1318182 0.4066213 1.0775627), wk = 0.0021739 k( 329) = ( 0.1363636 0.3946255 1.0903909), wk = 0.0021739 k( 330) = ( 0.1409091 0.3826297 1.1032190), wk = 0.0021739 k( 331) = ( 0.1454545 0.3706338 1.1160471), wk = 0.0021739 k( 332) = ( 0.1500000 0.3586380 1.1288752), wk = 0.0021739 k( 333) = ( 0.1545455 0.3466422 1.1417034), wk = 0.0021739 k( 334) = ( 0.1590909 0.3346464 1.1545315), wk = 0.0021739 k( 335) = ( 0.1636364 0.3226506 1.1673596), wk = 0.0021739 k( 336) = ( 0.1681818 0.3106547 1.1801878), wk = 0.0021739 k( 337) = ( 0.1727273 0.2986589 1.1930159), wk = 0.0021739 k( 338) = ( 0.1772727 0.2866631 1.2058440), wk = 0.0021739 k( 339) = ( 0.1818182 0.2746673 1.2186721), wk = 0.0021739 k( 340) = ( 0.1863636 0.2626714 1.2315003), wk = 0.0021739 k( 341) = ( 0.1909091 0.2506756 1.2443284), wk = 0.0021739 k( 342) = ( 0.1954546 0.2386798 1.2571565), wk = 0.0021739 k( 343) = ( 0.2000000 0.2266840 1.2699846), wk = 0.0021739 k( 344) = ( 0.2045454 0.2146882 1.2828128), wk = 0.0021739 k( 345) = ( 0.2090909 0.2026923 1.2956409), wk = 0.0021739 k( 346) = ( 0.2136364 0.1906965 1.3084690), wk = 0.0021739 k( 347) = ( 0.2181818 0.1787007 1.3212972), wk = 0.0021739 k( 348) = ( 0.2227273 0.1667049 1.3341253), wk = 0.0021739 k( 349) = ( 0.2272727 0.1547091 1.3469534), wk = 0.0021739 k( 350) = ( 0.2318182 0.1427133 1.3597815), wk = 0.0021739 k( 351) = ( 0.2363636 0.1307174 1.3726097), wk = 0.0021739 k( 352) = ( 0.2409091 0.1187216 1.3854378), wk = 0.0021739 k( 353) = ( 0.2454545 0.1067258 1.3982659), wk = 0.0021739 k( 354) = ( 0.2500000 0.0947300 1.4110941), wk = 0.0021739 k( 355) = ( 0.2500000 0.0947300 1.4110941), wk = 0.0021739 k( 356) = ( 0.2656250 0.1006506 1.4047626), wk = 0.0021739 k( 357) = ( 0.2812500 0.1065712 1.3984312), wk = 0.0021739 k( 358) = ( 0.2968750 0.1124918 1.3920998), wk = 0.0021739 k( 359) = ( 0.3125000 0.1184125 1.3857684), wk = 0.0021739 k( 360) = ( 0.3281250 0.1243331 1.3794370), wk = 0.0021739 k( 361) = ( 0.3437500 0.1302537 1.3731056), wk = 0.0021739 k( 362) = ( 0.3593750 0.1361743 1.3667742), wk = 0.0021739 k( 363) = ( 0.3750000 0.1420949 1.3604427), wk = 0.0021739 k( 364) = ( 0.3906250 0.1480156 1.3541113), wk = 0.0021739 k( 365) = ( 0.4062500 0.1539362 1.3477799), wk = 0.0021739 k( 366) = ( 0.4218750 0.1598568 1.3414485), wk = 0.0021739 k( 367) = ( 0.4375000 0.1657774 1.3351171), wk = 0.0021739 k( 368) = ( 0.4531250 0.1716981 1.3287857), wk = 0.0021739 k( 369) = ( 0.4687500 0.1776187 1.3224543), wk = 0.0021739 k( 370) = ( 0.4843750 0.1835393 1.3161228), wk = 0.0021739 k( 371) = ( 0.5000000 0.1894599 1.3097914), wk = 0.0021739 k( 372) = ( 0.5000000 0.1894599 1.3097914), wk = 0.0021739 k( 373) = ( 0.5000000 0.1894599 1.2915999), wk = 0.0021739 k( 374) = ( 0.5000000 0.1894599 1.2734083), wk = 0.0021739 k( 375) = ( 0.5000000 0.1894599 1.2552168), wk = 0.0021739 k( 376) = ( 0.5000000 0.1894599 1.2370252), wk = 0.0021739 k( 377) = ( 0.5000000 0.1894599 1.2188337), wk = 0.0021739 k( 378) = ( 0.5000000 0.1894599 1.2006421), wk = 0.0021739 k( 379) = ( 0.5000000 0.1894599 1.1824506), wk = 0.0021739 k( 380) = ( 0.5000000 0.1894599 1.1642590), wk = 0.0021739 k( 381) = ( 0.5000000 0.1894599 1.1460675), wk = 0.0021739 k( 382) = ( 0.5000000 0.1894599 1.1278760), wk = 0.0021739 k( 383) = ( 0.5000000 0.1894599 1.1096844), wk = 0.0021739 k( 384) = ( 0.5000000 0.1894599 1.0914928), wk = 0.0021739 k( 385) = ( 0.5000000 0.1894599 1.0733013), wk = 0.0021739 k( 386) = ( 0.5000000 0.1894599 1.0551098), wk = 0.0021739 k( 387) = ( 0.5000000 0.1894599 1.0369182), wk = 0.0021739 k( 388) = ( 0.5000000 0.1894599 1.0187266), wk = 0.0021739 k( 389) = ( 0.5000000 0.1894599 1.0005351), wk = 0.0021739 k( 390) = ( 0.5000000 0.1894599 0.9823436), wk = 0.0021739 k( 391) = ( 0.5000000 0.1894599 0.9641520), wk = 0.0021739 k( 392) = ( 0.5000000 0.1894599 0.9459605), wk = 0.0021739 k( 393) = ( 0.5000000 0.1894599 0.9277689), wk = 0.0021739 k( 394) = ( 0.5000000 0.1894599 0.9095774), wk = 0.0021739 k( 395) = ( 0.5000000 0.1894599 0.8913858), wk = 0.0021739 k( 396) = ( 0.5000000 0.1894599 0.8731943), wk = 0.0021739 k( 397) = ( 0.5000000 0.1894599 0.8550027), wk = 0.0021739 k( 398) = ( 0.5000000 0.1894599 0.8368112), wk = 0.0021739 k( 399) = ( 0.5000000 0.1894599 0.8186196), wk = 0.0021739 k( 400) = ( 0.5000000 0.1894599 0.8004281), wk = 0.0021739 k( 401) = ( 0.5000000 0.1894599 0.7822365), wk = 0.0021739 k( 402) = ( 0.5000000 0.1894599 0.7640450), wk = 0.0021739 k( 403) = ( 0.5000000 0.1894599 0.7458535), wk = 0.0021739 k( 404) = ( 0.5000000 0.1894599 0.7276619), wk = 0.0021739 k( 405) = ( 0.5000000 0.1894599 0.7094703), wk = 0.0021739 k( 406) = ( 0.5000000 0.1894599 0.6912788), wk = 0.0021739 k( 407) = ( 0.5000000 0.1894599 0.6730873), wk = 0.0021739 k( 408) = ( 0.5000000 0.1894599 0.6548957), wk = 0.0021739 k( 409) = ( 0.5000000 0.1894599 0.6367042), wk = 0.0021739 k( 410) = ( 0.5000000 0.1894599 0.6185126), wk = 0.0021739 k( 411) = ( 0.5000000 0.1894599 0.6003211), wk = 0.0021739 k( 412) = ( 0.5000000 0.1894599 0.5821295), wk = 0.0021739 k( 413) = ( 0.5000000 0.1894599 0.5639380), wk = 0.0021739 k( 414) = ( 0.5000000 0.1894599 0.5457464), wk = 0.0021739 k( 415) = ( 0.5000000 0.1894599 0.5275549), wk = 0.0021739 k( 416) = ( 0.5000000 0.1894599 0.5093633), wk = 0.0021739 k( 417) = ( 0.5000000 0.1894599 0.4911718), wk = 0.0021739 k( 418) = ( 0.5000000 0.1894599 0.4729802), wk = 0.0021739 k( 419) = ( 0.5000000 0.1894599 0.4547887), wk = 0.0021739 k( 420) = ( 0.5000000 0.1894599 0.4365971), wk = 0.0021739 k( 421) = ( 0.5000000 0.1894599 0.4184056), wk = 0.0021739 k( 422) = ( 0.5000000 0.1894599 0.4002140), wk = 0.0021739 k( 423) = ( 0.5000000 0.1894599 0.3820225), wk = 0.0021739 k( 424) = ( 0.5000000 0.1894599 0.3638310), wk = 0.0021739 k( 425) = ( 0.5000000 0.1894599 0.3456394), wk = 0.0021739 k( 426) = ( 0.5000000 0.1894599 0.3274478), wk = 0.0021739 k( 427) = ( 0.5000000 0.1894599 0.3092563), wk = 0.0021739 k( 428) = ( 0.5000000 0.1894599 0.2910648), wk = 0.0021739 k( 429) = ( 0.5000000 0.1894599 0.2728732), wk = 0.0021739 k( 430) = ( 0.5000000 0.1894599 0.2546817), wk = 0.0021739 k( 431) = ( 0.5000000 0.1894599 0.2364901), wk = 0.0021739 k( 432) = ( 0.5000000 0.1894599 0.2182986), wk = 0.0021739 k( 433) = ( 0.5000000 0.1894599 0.2001070), wk = 0.0021739 k( 434) = ( 0.5000000 0.1894599 0.1819155), wk = 0.0021739 k( 435) = ( 0.5000000 0.1894599 0.1637239), wk = 0.0021739 k( 436) = ( 0.5000000 0.1894599 0.1455324), wk = 0.0021739 k( 437) = ( 0.5000000 0.1894599 0.1273408), wk = 0.0021739 k( 438) = ( 0.5000000 0.1894599 0.1091493), wk = 0.0021739 k( 439) = ( 0.5000000 0.1894599 0.0909577), wk = 0.0021739 k( 440) = ( 0.5000000 0.1894599 0.0727662), wk = 0.0021739 k( 441) = ( 0.5000000 0.1894599 0.0545747), wk = 0.0021739 k( 442) = ( 0.5000000 0.1894599 0.0363831), wk = 0.0021739 k( 443) = ( 0.5000000 0.1894599 0.0181915), wk = 0.0021739 k( 444) = ( 0.5000000 0.1894599 -0.0000000), wk = 0.0021739 k( 445) = ( 0.0000000 0.0000000 1.4110941), wk = 0.0021739 k( 446) = ( 0.0166667 0.0063153 1.4110941), wk = 0.0021739 k( 447) = ( 0.0333333 0.0126307 1.4110941), wk = 0.0021739 k( 448) = ( 0.0500000 0.0189460 1.4110941), wk = 0.0021739 k( 449) = ( 0.0666667 0.0252613 1.4110941), wk = 0.0021739 k( 450) = ( 0.0833333 0.0315767 1.4110941), wk = 0.0021739 k( 451) = ( 0.1000000 0.0378920 1.4110941), wk = 0.0021739 k( 452) = ( 0.1166667 0.0442073 1.4110941), wk = 0.0021739 k( 453) = ( 0.1333333 0.0505226 1.4110941), wk = 0.0021739 k( 454) = ( 0.1500000 0.0568380 1.4110941), wk = 0.0021739 k( 455) = ( 0.1666667 0.0631533 1.4110941), wk = 0.0021739 k( 456) = ( 0.1833333 0.0694686 1.4110941), wk = 0.0021739 k( 457) = ( 0.2000000 0.0757840 1.4110941), wk = 0.0021739 k( 458) = ( 0.2166667 0.0820993 1.4110941), wk = 0.0021739 k( 459) = ( 0.2333333 0.0884146 1.4110941), wk = 0.0021739 k( 460) = ( 0.2500000 0.0947300 1.4110941), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0000000 0.0000000 0.0064103), wk = 0.0021739 k( 3) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0021739 k( 4) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0021739 k( 5) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0021739 k( 6) = ( 0.0000000 0.0000000 0.0320513), wk = 0.0021739 k( 7) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0021739 k( 8) = ( 0.0000000 0.0000000 0.0448718), wk = 0.0021739 k( 9) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0021739 k( 10) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0021739 k( 11) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0021739 k( 12) = ( 0.0000000 0.0000000 0.0705128), wk = 0.0021739 k( 13) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0021739 k( 14) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021739 k( 15) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0021739 k( 16) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0021739 k( 17) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0021739 k( 18) = ( 0.0000000 0.0000000 0.1089744), wk = 0.0021739 k( 19) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0021739 k( 20) = ( 0.0000000 0.0000000 0.1217949), wk = 0.0021739 k( 21) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0021739 k( 22) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0021739 k( 23) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0021739 k( 24) = ( 0.0000000 0.0000000 0.1474359), wk = 0.0021739 k( 25) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0021739 k( 26) = ( 0.0000000 0.0000000 0.1602564), wk = 0.0021739 k( 27) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021739 k( 28) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0021739 k( 29) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0021739 k( 30) = ( 0.0000000 0.0000000 0.1858974), wk = 0.0021739 k( 31) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0021739 k( 32) = ( 0.0000000 0.0000000 0.1987180), wk = 0.0021739 k( 33) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0021739 k( 34) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0021739 k( 35) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0021739 k( 36) = ( 0.0000000 0.0000000 0.2243590), wk = 0.0021739 k( 37) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0021739 k( 38) = ( 0.0000000 0.0000000 0.2371795), wk = 0.0021739 k( 39) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0021739 k( 40) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021739 k( 41) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0021739 k( 42) = ( 0.0000000 0.0000000 0.2628205), wk = 0.0021739 k( 43) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0021739 k( 44) = ( 0.0000000 0.0000000 0.2756410), wk = 0.0021739 k( 45) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0021739 k( 46) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0021739 k( 47) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0021739 k( 48) = ( 0.0000000 0.0000000 0.3012821), wk = 0.0021739 k( 49) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0021739 k( 50) = ( 0.0000000 0.0000000 0.3141026), wk = 0.0021739 k( 51) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0021739 k( 52) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0021739 k( 53) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021739 k( 54) = ( 0.0000000 0.0000000 0.3397436), wk = 0.0021739 k( 55) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0021739 k( 56) = ( 0.0000000 0.0000000 0.3525641), wk = 0.0021739 k( 57) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0021739 k( 58) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0021739 k( 59) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0021739 k( 60) = ( 0.0000000 0.0000000 0.3782051), wk = 0.0021739 k( 61) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0021739 k( 62) = ( 0.0000000 0.0000000 0.3910256), wk = 0.0021739 k( 63) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0021739 k( 64) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0021739 k( 65) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0021739 k( 66) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021739 k( 67) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0021739 k( 68) = ( 0.0000000 0.0000000 0.4294872), wk = 0.0021739 k( 69) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0021739 k( 70) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0021739 k( 71) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0021739 k( 72) = ( 0.0000000 0.0000000 0.4551282), wk = 0.0021739 k( 73) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0021739 k( 74) = ( 0.0000000 0.0000000 0.4679487), wk = 0.0021739 k( 75) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0021739 k( 76) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0021739 k( 77) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0021739 k( 78) = ( 0.0000000 0.0000000 0.4935897), wk = 0.0021739 k( 79) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 80) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 81) = ( -0.0059825 0.0059825 0.5000000), wk = 0.0021739 k( 82) = ( -0.0119650 0.0119650 0.5000000), wk = 0.0021739 k( 83) = ( -0.0179475 0.0179475 0.5000000), wk = 0.0021739 k( 84) = ( -0.0239300 0.0239300 0.5000000), wk = 0.0021739 k( 85) = ( -0.0299125 0.0299126 0.5000000), wk = 0.0021739 k( 86) = ( -0.0358951 0.0358951 0.5000000), wk = 0.0021739 k( 87) = ( -0.0358951 0.0358951 0.5000000), wk = 0.0021739 k( 88) = ( -0.0404451 0.0404451 0.4954499), wk = 0.0021739 k( 89) = ( -0.0449952 0.0449952 0.4908999), wk = 0.0021739 k( 90) = ( -0.0495452 0.0495452 0.4863499), wk = 0.0021739 k( 91) = ( -0.0540953 0.0540953 0.4817998), wk = 0.0021739 k( 92) = ( -0.0586453 0.0586453 0.4772498), wk = 0.0021739 k( 93) = ( -0.0631954 0.0631954 0.4726997), wk = 0.0021739 k( 94) = ( -0.0677454 0.0677454 0.4681497), wk = 0.0021739 k( 95) = ( -0.0722954 0.0722954 0.4635996), wk = 0.0021739 k( 96) = ( -0.0768455 0.0768455 0.4590496), wk = 0.0021739 k( 97) = ( -0.0813955 0.0813955 0.4544995), wk = 0.0021739 k( 98) = ( -0.0859456 0.0859456 0.4499495), wk = 0.0021739 k( 99) = ( -0.0904956 0.0904956 0.4453994), wk = 0.0021739 k( 100) = ( -0.0950457 0.0950457 0.4408494), wk = 0.0021739 k( 101) = ( -0.0995957 0.0995957 0.4362993), wk = 0.0021739 k( 102) = ( -0.1041458 0.1041458 0.4317493), wk = 0.0021739 k( 103) = ( -0.1086958 0.1086958 0.4271992), wk = 0.0021739 k( 104) = ( -0.1132459 0.1132459 0.4226492), wk = 0.0021739 k( 105) = ( -0.1177959 0.1177959 0.4180991), wk = 0.0021739 k( 106) = ( -0.1223460 0.1223460 0.4135491), wk = 0.0021739 k( 107) = ( -0.1268960 0.1268960 0.4089990), wk = 0.0021739 k( 108) = ( -0.1314461 0.1314461 0.4044490), wk = 0.0021739 k( 109) = ( -0.1359961 0.1359961 0.3998989), wk = 0.0021739 k( 110) = ( -0.1405462 0.1405462 0.3953489), wk = 0.0021739 k( 111) = ( -0.1450962 0.1450962 0.3907988), wk = 0.0021739 k( 112) = ( -0.1496463 0.1496463 0.3862488), wk = 0.0021739 k( 113) = ( -0.1541963 0.1541963 0.3816987), wk = 0.0021739 k( 114) = ( -0.1587464 0.1587464 0.3771487), wk = 0.0021739 k( 115) = ( -0.1632964 0.1632964 0.3725986), wk = 0.0021739 k( 116) = ( -0.1678465 0.1678465 0.3680486), wk = 0.0021739 k( 117) = ( -0.1723965 0.1723965 0.3634985), wk = 0.0021739 k( 118) = ( -0.1769466 0.1769466 0.3589485), wk = 0.0021739 k( 119) = ( -0.1814966 0.1814966 0.3543985), wk = 0.0021739 k( 120) = ( -0.1860467 0.1860467 0.3498484), wk = 0.0021739 k( 121) = ( -0.1905967 0.1905967 0.3452984), wk = 0.0021739 k( 122) = ( -0.1951468 0.1951468 0.3407483), wk = 0.0021739 k( 123) = ( -0.1996968 0.1996968 0.3361983), wk = 0.0021739 k( 124) = ( -0.2042469 0.2042469 0.3316482), wk = 0.0021739 k( 125) = ( -0.2087969 0.2087969 0.3270982), wk = 0.0021739 k( 126) = ( -0.2133470 0.2133469 0.3225481), wk = 0.0021739 k( 127) = ( -0.2178970 0.2178970 0.3179981), wk = 0.0021739 k( 128) = ( -0.2224471 0.2224470 0.3134480), wk = 0.0021739 k( 129) = ( -0.2269971 0.2269971 0.3088980), wk = 0.0021739 k( 130) = ( -0.2315472 0.2315471 0.3043479), wk = 0.0021739 k( 131) = ( -0.2360972 0.2360972 0.2997979), wk = 0.0021739 k( 132) = ( -0.2406472 0.2406472 0.2952478), wk = 0.0021739 k( 133) = ( -0.2451973 0.2451973 0.2906978), wk = 0.0021739 k( 134) = ( -0.2497473 0.2497473 0.2861477), wk = 0.0021739 k( 135) = ( -0.2542974 0.2542974 0.2815977), wk = 0.0021739 k( 136) = ( -0.2588474 0.2588474 0.2770476), wk = 0.0021739 k( 137) = ( -0.2633975 0.2633975 0.2724976), wk = 0.0021739 k( 138) = ( -0.2679475 0.2679475 0.2679475), wk = 0.0021739 k( 139) = ( -0.2679475 0.2679475 0.2679475), wk = 0.0021739 k( 140) = ( -0.2634061 0.2634061 0.2634061), wk = 0.0021739 k( 141) = ( -0.2588646 0.2588646 0.2588646), wk = 0.0021739 k( 142) = ( -0.2543231 0.2543231 0.2543231), wk = 0.0021739 k( 143) = ( -0.2497816 0.2497816 0.2497816), wk = 0.0021739 k( 144) = ( -0.2452401 0.2452401 0.2452401), wk = 0.0021739 k( 145) = ( -0.2406986 0.2406986 0.2406986), wk = 0.0021739 k( 146) = ( -0.2361572 0.2361572 0.2361572), wk = 0.0021739 k( 147) = ( -0.2316157 0.2316157 0.2316157), wk = 0.0021739 k( 148) = ( -0.2270742 0.2270742 0.2270742), wk = 0.0021739 k( 149) = ( -0.2225327 0.2225327 0.2225327), wk = 0.0021739 k( 150) = ( -0.2179912 0.2179912 0.2179912), wk = 0.0021739 k( 151) = ( -0.2134497 0.2134497 0.2134497), wk = 0.0021739 k( 152) = ( -0.2089082 0.2089083 0.2089082), wk = 0.0021739 k( 153) = ( -0.2043668 0.2043668 0.2043668), wk = 0.0021739 k( 154) = ( -0.1998253 0.1998253 0.1998253), wk = 0.0021739 k( 155) = ( -0.1952838 0.1952838 0.1952838), wk = 0.0021739 k( 156) = ( -0.1907423 0.1907423 0.1907423), wk = 0.0021739 k( 157) = ( -0.1862008 0.1862008 0.1862008), wk = 0.0021739 k( 158) = ( -0.1816593 0.1816593 0.1816593), wk = 0.0021739 k( 159) = ( -0.1771179 0.1771179 0.1771179), wk = 0.0021739 k( 160) = ( -0.1725764 0.1725764 0.1725764), wk = 0.0021739 k( 161) = ( -0.1680349 0.1680349 0.1680349), wk = 0.0021739 k( 162) = ( -0.1634934 0.1634934 0.1634934), wk = 0.0021739 k( 163) = ( -0.1589519 0.1589519 0.1589519), wk = 0.0021739 k( 164) = ( -0.1544104 0.1544104 0.1544104), wk = 0.0021739 k( 165) = ( -0.1498690 0.1498690 0.1498690), wk = 0.0021739 k( 166) = ( -0.1453275 0.1453275 0.1453275), wk = 0.0021739 k( 167) = ( -0.1407860 0.1407860 0.1407860), wk = 0.0021739 k( 168) = ( -0.1362445 0.1362445 0.1362445), wk = 0.0021739 k( 169) = ( -0.1317030 0.1317030 0.1317030), wk = 0.0021739 k( 170) = ( -0.1271615 0.1271615 0.1271615), wk = 0.0021739 k( 171) = ( -0.1226201 0.1226201 0.1226201), wk = 0.0021739 k( 172) = ( -0.1180786 0.1180786 0.1180786), wk = 0.0021739 k( 173) = ( -0.1135371 0.1135371 0.1135371), wk = 0.0021739 k( 174) = ( -0.1089956 0.1089956 0.1089956), wk = 0.0021739 k( 175) = ( -0.1044541 0.1044541 0.1044541), wk = 0.0021739 k( 176) = ( -0.0999126 0.0999126 0.0999126), wk = 0.0021739 k( 177) = ( -0.0953712 0.0953712 0.0953712), wk = 0.0021739 k( 178) = ( -0.0908297 0.0908297 0.0908297), wk = 0.0021739 k( 179) = ( -0.0862882 0.0862882 0.0862882), wk = 0.0021739 k( 180) = ( -0.0817467 0.0817467 0.0817467), wk = 0.0021739 k( 181) = ( -0.0772052 0.0772052 0.0772052), wk = 0.0021739 k( 182) = ( -0.0726637 0.0726637 0.0726637), wk = 0.0021739 k( 183) = ( -0.0681222 0.0681222 0.0681222), wk = 0.0021739 k( 184) = ( -0.0635808 0.0635808 0.0635808), wk = 0.0021739 k( 185) = ( -0.0590393 0.0590393 0.0590393), wk = 0.0021739 k( 186) = ( -0.0544978 0.0544978 0.0544978), wk = 0.0021739 k( 187) = ( -0.0499563 0.0499563 0.0499563), wk = 0.0021739 k( 188) = ( -0.0454148 0.0454148 0.0454148), wk = 0.0021739 k( 189) = ( -0.0408734 0.0408733 0.0408734), wk = 0.0021739 k( 190) = ( -0.0363319 0.0363319 0.0363319), wk = 0.0021739 k( 191) = ( -0.0317904 0.0317904 0.0317904), wk = 0.0021739 k( 192) = ( -0.0272489 0.0272489 0.0272489), wk = 0.0021739 k( 193) = ( -0.0227074 0.0227074 0.0227074), wk = 0.0021739 k( 194) = ( -0.0181659 0.0181659 0.0181659), wk = 0.0021739 k( 195) = ( -0.0136244 0.0136244 0.0136245), wk = 0.0021739 k( 196) = ( -0.0090830 0.0090830 0.0090830), wk = 0.0021739 k( 197) = ( -0.0045415 0.0045415 0.0045415), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 200) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0021739 k( 201) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0021739 k( 202) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0021739 k( 203) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0021739 k( 204) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0021739 k( 205) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0021739 k( 206) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0021739 k( 207) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0021739 k( 208) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0021739 k( 209) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021739 k( 210) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0021739 k( 211) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0021739 k( 212) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0021739 k( 213) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0021739 k( 214) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0021739 k( 215) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0021739 k( 216) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0021739 k( 217) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0021739 k( 218) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0021739 k( 219) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021739 k( 220) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0021739 k( 221) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0021739 k( 222) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0021739 k( 223) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0021739 k( 224) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0021739 k( 225) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0021739 k( 226) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0021739 k( 227) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0021739 k( 228) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0021739 k( 229) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 k( 230) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 k( 231) = ( 0.4954499 0.5045501 -0.4954499), wk = 0.0021739 k( 232) = ( 0.4908999 0.5091001 -0.4908999), wk = 0.0021739 k( 233) = ( 0.4863498 0.5136502 -0.4863498), wk = 0.0021739 k( 234) = ( 0.4817998 0.5182002 -0.4817998), wk = 0.0021739 k( 235) = ( 0.4772498 0.5227502 -0.4772498), wk = 0.0021739 k( 236) = ( 0.4726997 0.5273003 -0.4726997), wk = 0.0021739 k( 237) = ( 0.4681497 0.5318503 -0.4681497), wk = 0.0021739 k( 238) = ( 0.4635996 0.5364004 -0.4635996), wk = 0.0021739 k( 239) = ( 0.4590496 0.5409504 -0.4590496), wk = 0.0021739 k( 240) = ( 0.4544995 0.5455005 -0.4544995), wk = 0.0021739 k( 241) = ( 0.4499495 0.5500505 -0.4499495), wk = 0.0021739 k( 242) = ( 0.4453994 0.5546006 -0.4453994), wk = 0.0021739 k( 243) = ( 0.4408494 0.5591506 -0.4408494), wk = 0.0021739 k( 244) = ( 0.4362993 0.5637007 -0.4362993), wk = 0.0021739 k( 245) = ( 0.4317493 0.5682507 -0.4317493), wk = 0.0021739 k( 246) = ( 0.4271992 0.5728008 -0.4271992), wk = 0.0021739 k( 247) = ( 0.4226492 0.5773508 -0.4226492), wk = 0.0021739 k( 248) = ( 0.4180991 0.5819009 -0.4180991), wk = 0.0021739 k( 249) = ( 0.4135491 0.5864509 -0.4135491), wk = 0.0021739 k( 250) = ( 0.4089990 0.5910010 -0.4089990), wk = 0.0021739 k( 251) = ( 0.4044490 0.5955510 -0.4044490), wk = 0.0021739 k( 252) = ( 0.3998989 0.6001011 -0.3998989), wk = 0.0021739 k( 253) = ( 0.3953489 0.6046511 -0.3953489), wk = 0.0021739 k( 254) = ( 0.3907988 0.6092012 -0.3907988), wk = 0.0021739 k( 255) = ( 0.3862488 0.6137512 -0.3862488), wk = 0.0021739 k( 256) = ( 0.3816987 0.6183013 -0.3816987), wk = 0.0021739 k( 257) = ( 0.3771487 0.6228513 -0.3771487), wk = 0.0021739 k( 258) = ( 0.3725986 0.6274013 -0.3725986), wk = 0.0021739 k( 259) = ( 0.3680486 0.6319514 -0.3680486), wk = 0.0021739 k( 260) = ( 0.3634985 0.6365015 -0.3634985), wk = 0.0021739 k( 261) = ( 0.3589485 0.6410515 -0.3589485), wk = 0.0021739 k( 262) = ( 0.3543984 0.6456015 -0.3543985), wk = 0.0021739 k( 263) = ( 0.3498484 0.6501516 -0.3498484), wk = 0.0021739 k( 264) = ( 0.3452984 0.6547016 -0.3452984), wk = 0.0021739 k( 265) = ( 0.3407483 0.6592517 -0.3407483), wk = 0.0021739 k( 266) = ( 0.3361983 0.6638017 -0.3361983), wk = 0.0021739 k( 267) = ( 0.3316482 0.6683518 -0.3316482), wk = 0.0021739 k( 268) = ( 0.3270982 0.6729018 -0.3270982), wk = 0.0021739 k( 269) = ( 0.3225481 0.6774519 -0.3225481), wk = 0.0021739 k( 270) = ( 0.3179981 0.6820019 -0.3179981), wk = 0.0021739 k( 271) = ( 0.3134480 0.6865520 -0.3134480), wk = 0.0021739 k( 272) = ( 0.3088980 0.6911020 -0.3088980), wk = 0.0021739 k( 273) = ( 0.3043479 0.6956521 -0.3043479), wk = 0.0021739 k( 274) = ( 0.2997979 0.7002021 -0.2997979), wk = 0.0021739 k( 275) = ( 0.2952478 0.7047522 -0.2952478), wk = 0.0021739 k( 276) = ( 0.2906978 0.7093022 -0.2906978), wk = 0.0021739 k( 277) = ( 0.2861477 0.7138523 -0.2861477), wk = 0.0021739 k( 278) = ( 0.2815977 0.7184023 -0.2815977), wk = 0.0021739 k( 279) = ( 0.2770476 0.7229524 -0.2770476), wk = 0.0021739 k( 280) = ( 0.2724976 0.7275024 -0.2724976), wk = 0.0021739 k( 281) = ( 0.2679475 0.7320525 -0.2679475), wk = 0.0021739 k( 282) = ( 0.2679475 0.7320525 -0.2679475), wk = 0.0021739 k( 283) = ( 0.2512008 0.7175492 -0.2512008), wk = 0.0021739 k( 284) = ( 0.2344541 0.7030459 -0.2344541), wk = 0.0021739 k( 285) = ( 0.2177074 0.6885426 -0.2177074), wk = 0.0021739 k( 286) = ( 0.2009606 0.6740394 -0.2009606), wk = 0.0021739 k( 287) = ( 0.1842139 0.6595361 -0.1842139), wk = 0.0021739 k( 288) = ( 0.1674672 0.6450328 -0.1674672), wk = 0.0021739 k( 289) = ( 0.1507205 0.6305295 -0.1507205), wk = 0.0021739 k( 290) = ( 0.1339738 0.6160262 -0.1339738), wk = 0.0021739 k( 291) = ( 0.1172270 0.6015230 -0.1172270), wk = 0.0021739 k( 292) = ( 0.1004803 0.5870197 -0.1004803), wk = 0.0021739 k( 293) = ( 0.0837336 0.5725164 -0.0837336), wk = 0.0021739 k( 294) = ( 0.0669869 0.5580131 -0.0669869), wk = 0.0021739 k( 295) = ( 0.0502402 0.5435098 -0.0502402), wk = 0.0021739 k( 296) = ( 0.0334934 0.5290066 -0.0334934), wk = 0.0021739 k( 297) = ( 0.0167467 0.5145033 -0.0167467), wk = 0.0021739 k( 298) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 299) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 300) = ( 0.0045455 0.4954545 0.0045455), wk = 0.0021739 k( 301) = ( 0.0090909 0.4909091 0.0090909), wk = 0.0021739 k( 302) = ( 0.0136364 0.4863636 0.0136364), wk = 0.0021739 k( 303) = ( 0.0181818 0.4818182 0.0181818), wk = 0.0021739 k( 304) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0021739 k( 305) = ( 0.0272727 0.4727273 0.0272727), wk = 0.0021739 k( 306) = ( 0.0318182 0.4681818 0.0318182), wk = 0.0021739 k( 307) = ( 0.0363636 0.4636364 0.0363636), wk = 0.0021739 k( 308) = ( 0.0409091 0.4590909 0.0409091), wk = 0.0021739 k( 309) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0021739 k( 310) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021739 k( 311) = ( 0.0545455 0.4454546 0.0545455), wk = 0.0021739 k( 312) = ( 0.0590909 0.4409091 0.0590909), wk = 0.0021739 k( 313) = ( 0.0636364 0.4363636 0.0636364), wk = 0.0021739 k( 314) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0021739 k( 315) = ( 0.0727273 0.4272727 0.0727273), wk = 0.0021739 k( 316) = ( 0.0772727 0.4227273 0.0772727), wk = 0.0021739 k( 317) = ( 0.0818182 0.4181818 0.0818182), wk = 0.0021739 k( 318) = ( 0.0863636 0.4136364 0.0863636), wk = 0.0021739 k( 319) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0021739 k( 320) = ( 0.0954545 0.4045454 0.0954546), wk = 0.0021739 k( 321) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021739 k( 322) = ( 0.1045454 0.3954546 0.1045454), wk = 0.0021739 k( 323) = ( 0.1090909 0.3909091 0.1090909), wk = 0.0021739 k( 324) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0021739 k( 325) = ( 0.1181818 0.3818182 0.1181818), wk = 0.0021739 k( 326) = ( 0.1227273 0.3772727 0.1227273), wk = 0.0021739 k( 327) = ( 0.1272727 0.3727273 0.1272727), wk = 0.0021739 k( 328) = ( 0.1318182 0.3681818 0.1318182), wk = 0.0021739 k( 329) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0021739 k( 330) = ( 0.1409091 0.3590909 0.1409091), wk = 0.0021739 k( 331) = ( 0.1454545 0.3545455 0.1454546), wk = 0.0021739 k( 332) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021739 k( 333) = ( 0.1545455 0.3454546 0.1545455), wk = 0.0021739 k( 334) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0021739 k( 335) = ( 0.1636364 0.3363636 0.1636364), wk = 0.0021739 k( 336) = ( 0.1681818 0.3318182 0.1681818), wk = 0.0021739 k( 337) = ( 0.1727273 0.3272727 0.1727273), wk = 0.0021739 k( 338) = ( 0.1772727 0.3227273 0.1772727), wk = 0.0021739 k( 339) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0021739 k( 340) = ( 0.1863636 0.3136364 0.1863636), wk = 0.0021739 k( 341) = ( 0.1909091 0.3090909 0.1909091), wk = 0.0021739 k( 342) = ( 0.1954546 0.3045454 0.1954546), wk = 0.0021739 k( 343) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021739 k( 344) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0021739 k( 345) = ( 0.2090909 0.2909091 0.2090909), wk = 0.0021739 k( 346) = ( 0.2136364 0.2863636 0.2136364), wk = 0.0021739 k( 347) = ( 0.2181818 0.2818182 0.2181818), wk = 0.0021739 k( 348) = ( 0.2227273 0.2772727 0.2227273), wk = 0.0021739 k( 349) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0021739 k( 350) = ( 0.2318182 0.2681818 0.2318182), wk = 0.0021739 k( 351) = ( 0.2363636 0.2636364 0.2363636), wk = 0.0021739 k( 352) = ( 0.2409091 0.2590909 0.2409091), wk = 0.0021739 k( 353) = ( 0.2454545 0.2545455 0.2454546), wk = 0.0021739 k( 354) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 k( 355) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 k( 356) = ( 0.2656250 0.2656250 0.2321316), wk = 0.0021739 k( 357) = ( 0.2812500 0.2812500 0.2142631), wk = 0.0021739 k( 358) = ( 0.2968750 0.2968750 0.1963947), wk = 0.0021739 k( 359) = ( 0.3125000 0.3125000 0.1785262), wk = 0.0021739 k( 360) = ( 0.3281250 0.3281250 0.1606578), wk = 0.0021739 k( 361) = ( 0.3437500 0.3437500 0.1427894), wk = 0.0021739 k( 362) = ( 0.3593750 0.3593750 0.1249209), wk = 0.0021739 k( 363) = ( 0.3750000 0.3750000 0.1070525), wk = 0.0021739 k( 364) = ( 0.3906250 0.3906250 0.0891840), wk = 0.0021739 k( 365) = ( 0.4062500 0.4062500 0.0713156), wk = 0.0021739 k( 366) = ( 0.4218750 0.4218750 0.0534471), wk = 0.0021739 k( 367) = ( 0.4375000 0.4375000 0.0355787), wk = 0.0021739 k( 368) = ( 0.4531250 0.4531250 0.0177103), wk = 0.0021739 k( 369) = ( 0.4687500 0.4687500 -0.0001582), wk = 0.0021739 k( 370) = ( 0.4843750 0.4843750 -0.0180266), wk = 0.0021739 k( 371) = ( 0.5000000 0.5000000 -0.0358951), wk = 0.0021739 k( 372) = ( 0.5000000 0.5000000 -0.0358951), wk = 0.0021739 k( 373) = ( 0.5000000 0.5000000 -0.0423410), wk = 0.0021739 k( 374) = ( 0.5000000 0.5000000 -0.0487869), wk = 0.0021739 k( 375) = ( 0.5000000 0.5000000 -0.0552328), wk = 0.0021739 k( 376) = ( 0.5000000 0.5000000 -0.0616787), wk = 0.0021739 k( 377) = ( 0.5000000 0.5000000 -0.0681246), wk = 0.0021739 k( 378) = ( 0.5000000 0.5000000 -0.0745705), wk = 0.0021739 k( 379) = ( 0.5000000 0.5000000 -0.0810164), wk = 0.0021739 k( 380) = ( 0.5000000 0.5000000 -0.0874623), wk = 0.0021739 k( 381) = ( 0.5000000 0.5000000 -0.0939082), wk = 0.0021739 k( 382) = ( 0.5000000 0.5000000 -0.1003541), wk = 0.0021739 k( 383) = ( 0.5000000 0.5000000 -0.1068000), wk = 0.0021739 k( 384) = ( 0.5000000 0.5000000 -0.1132459), wk = 0.0021739 k( 385) = ( 0.5000000 0.5000000 -0.1196918), wk = 0.0021739 k( 386) = ( 0.5000000 0.5000000 -0.1261377), wk = 0.0021739 k( 387) = ( 0.5000000 0.5000000 -0.1325836), wk = 0.0021739 k( 388) = ( 0.5000000 0.5000000 -0.1390295), wk = 0.0021739 k( 389) = ( 0.5000000 0.5000000 -0.1454754), wk = 0.0021739 k( 390) = ( 0.5000000 0.5000000 -0.1519213), wk = 0.0021739 k( 391) = ( 0.5000000 0.5000000 -0.1583672), wk = 0.0021739 k( 392) = ( 0.5000000 0.5000000 -0.1648131), wk = 0.0021739 k( 393) = ( 0.5000000 0.5000000 -0.1712590), wk = 0.0021739 k( 394) = ( 0.5000000 0.5000000 -0.1777049), wk = 0.0021739 k( 395) = ( 0.5000000 0.5000000 -0.1841508), wk = 0.0021739 k( 396) = ( 0.5000000 0.5000000 -0.1905967), wk = 0.0021739 k( 397) = ( 0.5000000 0.5000000 -0.1970426), wk = 0.0021739 k( 398) = ( 0.5000000 0.5000000 -0.2034885), wk = 0.0021739 k( 399) = ( 0.5000000 0.5000000 -0.2099344), wk = 0.0021739 k( 400) = ( 0.5000000 0.5000000 -0.2163803), wk = 0.0021739 k( 401) = ( 0.5000000 0.5000000 -0.2228262), wk = 0.0021739 k( 402) = ( 0.5000000 0.5000000 -0.2292721), wk = 0.0021739 k( 403) = ( 0.5000000 0.5000000 -0.2357180), wk = 0.0021739 k( 404) = ( 0.5000000 0.5000000 -0.2421639), wk = 0.0021739 k( 405) = ( 0.5000000 0.5000000 -0.2486098), wk = 0.0021739 k( 406) = ( 0.5000000 0.5000000 -0.2550557), wk = 0.0021739 k( 407) = ( 0.5000000 0.5000000 -0.2615016), wk = 0.0021739 k( 408) = ( 0.5000000 0.5000000 -0.2679475), wk = 0.0021739 k( 409) = ( 0.5000000 0.5000000 -0.2743934), wk = 0.0021739 k( 410) = ( 0.5000000 0.5000000 -0.2808393), wk = 0.0021739 k( 411) = ( 0.5000000 0.5000000 -0.2872852), wk = 0.0021739 k( 412) = ( 0.5000000 0.5000000 -0.2937311), wk = 0.0021739 k( 413) = ( 0.5000000 0.5000000 -0.3001770), wk = 0.0021739 k( 414) = ( 0.5000000 0.5000000 -0.3066229), wk = 0.0021739 k( 415) = ( 0.5000000 0.5000000 -0.3130688), wk = 0.0021739 k( 416) = ( 0.5000000 0.5000000 -0.3195147), wk = 0.0021739 k( 417) = ( 0.5000000 0.5000000 -0.3259606), wk = 0.0021739 k( 418) = ( 0.5000000 0.5000000 -0.3324065), wk = 0.0021739 k( 419) = ( 0.5000000 0.5000000 -0.3388524), wk = 0.0021739 k( 420) = ( 0.5000000 0.5000000 -0.3452984), wk = 0.0021739 k( 421) = ( 0.5000000 0.5000000 -0.3517443), wk = 0.0021739 k( 422) = ( 0.5000000 0.5000000 -0.3581902), wk = 0.0021739 k( 423) = ( 0.5000000 0.5000000 -0.3646361), wk = 0.0021739 k( 424) = ( 0.5000000 0.5000000 -0.3710820), wk = 0.0021739 k( 425) = ( 0.5000000 0.5000000 -0.3775279), wk = 0.0021739 k( 426) = ( 0.5000000 0.5000000 -0.3839738), wk = 0.0021739 k( 427) = ( 0.5000000 0.5000000 -0.3904197), wk = 0.0021739 k( 428) = ( 0.5000000 0.5000000 -0.3968656), wk = 0.0021739 k( 429) = ( 0.5000000 0.5000000 -0.4033115), wk = 0.0021739 k( 430) = ( 0.5000000 0.5000000 -0.4097574), wk = 0.0021739 k( 431) = ( 0.5000000 0.5000000 -0.4162033), wk = 0.0021739 k( 432) = ( 0.5000000 0.5000000 -0.4226492), wk = 0.0021739 k( 433) = ( 0.5000000 0.5000000 -0.4290951), wk = 0.0021739 k( 434) = ( 0.5000000 0.5000000 -0.4355410), wk = 0.0021739 k( 435) = ( 0.5000000 0.5000000 -0.4419869), wk = 0.0021739 k( 436) = ( 0.5000000 0.5000000 -0.4484328), wk = 0.0021739 k( 437) = ( 0.5000000 0.5000000 -0.4548787), wk = 0.0021739 k( 438) = ( 0.5000000 0.5000000 -0.4613246), wk = 0.0021739 k( 439) = ( 0.5000000 0.5000000 -0.4677705), wk = 0.0021739 k( 440) = ( 0.5000000 0.5000000 -0.4742164), wk = 0.0021739 k( 441) = ( 0.5000000 0.5000000 -0.4806623), wk = 0.0021739 k( 442) = ( 0.5000000 0.5000000 -0.4871082), wk = 0.0021739 k( 443) = ( 0.5000000 0.5000000 -0.4935541), wk = 0.0021739 k( 444) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 k( 445) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 446) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0021739 k( 447) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0021739 k( 448) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0021739 k( 449) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0021739 k( 450) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0021739 k( 451) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0021739 k( 452) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0021739 k( 453) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0021739 k( 454) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0021739 k( 455) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0021739 k( 456) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0021739 k( 457) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0021739 k( 458) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0021739 k( 459) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0021739 k( 460) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 Dense grid: 21209 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 8431 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 64, 26) NL pseudopotentials 0.03 Mb ( 32, 68) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.00 Mb ( 590) G-vector shells 0.00 Mb ( 271) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 64, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Rb.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.6 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.7 secs Computing kpt #: 27 total cpu time spent up to now is 6.9 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.2 secs Computing kpt #: 30 total cpu time spent up to now is 7.4 secs Computing kpt #: 31 total cpu time spent up to now is 7.6 secs Computing kpt #: 32 total cpu time spent up to now is 7.7 secs Computing kpt #: 33 total cpu time spent up to now is 7.9 secs Computing kpt #: 34 total cpu time spent up to now is 8.1 secs Computing kpt #: 35 total cpu time spent up to now is 8.2 secs Computing kpt #: 36 total cpu time spent up to now is 8.4 secs Computing kpt #: 37 total cpu time spent up to now is 8.6 secs Computing kpt #: 38 total cpu time spent up to now is 8.8 secs Computing kpt #: 39 total cpu time spent up to now is 9.0 secs Computing kpt #: 40 total cpu time spent up to now is 9.2 secs Computing kpt #: 41 total cpu time spent up to now is 9.5 secs Computing kpt #: 42 total cpu time spent up to now is 9.7 secs Computing kpt #: 43 total cpu time spent up to now is 9.9 secs Computing kpt #: 44 total cpu time spent up to now is 10.1 secs Computing kpt #: 45 total cpu time spent up to now is 10.3 secs Computing kpt #: 46 total cpu time spent up to now is 10.4 secs Computing kpt #: 47 total cpu time spent up to now is 10.6 secs Computing kpt #: 48 total cpu time spent up to now is 10.8 secs Computing kpt #: 49 total cpu time spent up to now is 10.9 secs Computing kpt #: 50 total cpu time spent up to now is 11.1 secs Computing kpt #: 51 total cpu time spent up to now is 11.2 secs Computing kpt #: 52 total cpu time spent up to now is 11.4 secs Computing kpt #: 53 total cpu time spent up to now is 11.6 secs Computing kpt #: 54 total cpu time spent up to now is 11.7 secs Computing kpt #: 55 total cpu time spent up to now is 11.9 secs Computing kpt #: 56 total cpu time spent up to now is 12.0 secs Computing kpt #: 57 total cpu time spent up to now is 12.2 secs Computing kpt #: 58 total cpu time spent up to now is 12.4 secs Computing kpt #: 59 total cpu time spent up to now is 12.5 secs Computing kpt #: 60 total cpu time spent up to now is 12.7 secs Computing kpt #: 61 total cpu time spent up to now is 12.8 secs Computing kpt #: 62 total cpu time spent up to now is 13.0 secs Computing kpt #: 63 total cpu time spent up to now is 13.2 secs Computing kpt #: 64 total cpu time spent up to now is 13.3 secs Computing kpt #: 65 total cpu time spent up to now is 13.5 secs Computing kpt #: 66 total cpu time spent up to now is 13.7 secs Computing kpt #: 67 total cpu time spent up to now is 13.9 secs Computing kpt #: 68 total cpu time spent up to now is 14.0 secs Computing kpt #: 69 total cpu time spent up to now is 14.2 secs Computing kpt #: 70 total cpu time spent up to now is 14.9 secs Computing kpt #: 71 total cpu time spent up to now is 15.0 secs Computing kpt #: 72 total cpu time spent up to now is 15.2 secs Computing kpt #: 73 total cpu time spent up to now is 15.4 secs Computing kpt #: 74 total cpu time spent up to now is 15.6 secs Computing kpt #: 75 total cpu time spent up to now is 15.8 secs Computing kpt #: 76 total cpu time spent up to now is 16.0 secs Computing kpt #: 77 total cpu time spent up to now is 16.2 secs Computing kpt #: 78 total cpu time spent up to now is 16.4 secs Computing kpt #: 79 total cpu time spent up to now is 16.5 secs Computing kpt #: 80 total cpu time spent up to now is 16.7 secs Computing kpt #: 81 total cpu time spent up to now is 16.9 secs Computing kpt #: 82 total cpu time spent up to now is 17.1 secs Computing kpt #: 83 total cpu time spent up to now is 17.3 secs Computing kpt #: 84 total cpu time spent up to now is 17.5 secs Computing kpt #: 85 total cpu time spent up to now is 17.7 secs Computing kpt #: 86 total cpu time spent up to now is 17.9 secs Computing kpt #: 87 total cpu time spent up to now is 18.1 secs Computing kpt #: 88 total cpu time spent up to now is 18.3 secs Computing kpt #: 89 total cpu time spent up to now is 18.4 secs Computing kpt #: 90 total cpu time spent up to now is 18.6 secs Computing kpt #: 91 total cpu time spent up to now is 18.8 secs Computing kpt #: 92 total cpu time spent up to now is 19.0 secs Computing kpt #: 93 total cpu time spent up to now is 19.2 secs Computing kpt #: 94 total cpu time spent up to now is 19.4 secs Computing kpt #: 95 total cpu time spent up to now is 19.6 secs Computing kpt #: 96 total cpu time spent up to now is 19.8 secs Computing kpt #: 97 total cpu time spent up to now is 20.0 secs Computing kpt #: 98 total cpu time spent up to now is 20.1 secs Computing kpt #: 99 total cpu time spent up to now is 20.3 secs Computing kpt #: 100 total cpu time spent up to now is 20.5 secs Computing kpt #: 101 total cpu time spent up to now is 20.7 secs Computing kpt #: 102 total cpu time spent up to now is 20.9 secs Computing kpt #: 103 total cpu time spent up to now is 21.1 secs Computing kpt #: 104 total cpu time spent up to now is 21.2 secs Computing kpt #: 105 total cpu time spent up to now is 21.4 secs Computing kpt #: 106 total cpu time spent up to now is 21.6 secs Computing kpt #: 107 total cpu time spent up to now is 21.8 secs Computing kpt #: 108 total cpu time spent up to now is 22.0 secs Computing kpt #: 109 total cpu time spent up to now is 22.2 secs Computing kpt #: 110 total cpu time spent up to now is 22.3 secs Computing kpt #: 111 total cpu time spent up to now is 22.5 secs Computing kpt #: 112 total cpu time spent up to now is 22.7 secs Computing kpt #: 113 total cpu time spent up to now is 22.9 secs Computing kpt #: 114 total cpu time spent up to now is 23.1 secs Computing kpt #: 115 total cpu time spent up to now is 23.2 secs Computing kpt #: 116 total cpu time spent up to now is 23.4 secs Computing kpt #: 117 total cpu time spent up to now is 23.6 secs Computing kpt #: 118 total cpu time spent up to now is 23.8 secs Computing kpt #: 119 total cpu time spent up to now is 24.0 secs Computing kpt #: 120 total cpu time spent up to now is 24.2 secs Computing kpt #: 121 total cpu time spent up to now is 24.4 secs Computing kpt #: 122 total cpu time spent up to now is 24.6 secs Computing kpt #: 123 total cpu time spent up to now is 24.8 secs Computing kpt #: 124 total cpu time spent up to now is 25.0 secs Computing kpt #: 125 total cpu time spent up to now is 25.2 secs Computing kpt #: 126 total cpu time spent up to now is 25.4 secs Computing kpt #: 127 total cpu time spent up to now is 25.6 secs Computing kpt #: 128 total cpu time spent up to now is 25.7 secs Computing kpt #: 129 total cpu time spent up to now is 25.9 secs Computing kpt #: 130 total cpu time spent up to now is 26.1 secs Computing kpt #: 131 total cpu time spent up to now is 26.3 secs Computing kpt #: 132 total cpu time spent up to now is 26.4 secs Computing kpt #: 133 total cpu time spent up to now is 26.6 secs Computing kpt #: 134 total cpu time spent up to now is 26.7 secs Computing kpt #: 135 total cpu time spent up to now is 26.9 secs Computing kpt #: 136 total cpu time spent up to now is 27.1 secs Computing kpt #: 137 total cpu time spent up to now is 27.2 secs Computing kpt #: 138 total cpu time spent up to now is 27.4 secs Computing kpt #: 139 total cpu time spent up to now is 27.5 secs Computing kpt #: 140 total cpu time spent up to now is 27.7 secs Computing kpt #: 141 total cpu time spent up to now is 27.8 secs Computing kpt #: 142 total cpu time spent up to now is 28.0 secs Computing kpt #: 143 total cpu time spent up to now is 28.2 secs Computing kpt #: 144 total cpu time spent up to now is 28.3 secs Computing kpt #: 145 total cpu time spent up to now is 28.5 secs Computing kpt #: 146 total cpu time spent up to now is 28.6 secs Computing kpt #: 147 total cpu time spent up to now is 28.8 secs Computing kpt #: 148 total cpu time spent up to now is 28.9 secs Computing kpt #: 149 total cpu time spent up to now is 29.1 secs Computing kpt #: 150 total cpu time spent up to now is 29.3 secs Computing kpt #: 151 total cpu time spent up to now is 29.4 secs Computing kpt #: 152 total cpu time spent up to now is 30.2 secs Computing kpt #: 153 total cpu time spent up to now is 30.4 secs Computing kpt #: 154 total cpu time spent up to now is 30.6 secs Computing kpt #: 155 total cpu time spent up to now is 30.7 secs Computing kpt #: 156 total cpu time spent up to now is 30.9 secs Computing kpt #: 157 total cpu time spent up to now is 31.0 secs Computing kpt #: 158 total cpu time spent up to now is 31.2 secs Computing kpt #: 159 total cpu time spent up to now is 31.4 secs Computing kpt #: 160 total cpu time spent up to now is 31.5 secs Computing kpt #: 161 total cpu time spent up to now is 31.7 secs Computing kpt #: 162 total cpu time spent up to now is 31.9 secs Computing kpt #: 163 total cpu time spent up to now is 32.0 secs Computing kpt #: 164 total cpu time spent up to now is 32.2 secs Computing kpt #: 165 total cpu time spent up to now is 32.4 secs Computing kpt #: 166 total cpu time spent up to now is 32.5 secs Computing kpt #: 167 total cpu time spent up to now is 32.7 secs Computing kpt #: 168 total cpu time spent up to now is 32.9 secs Computing kpt #: 169 total cpu time spent up to now is 33.0 secs Computing kpt #: 170 total cpu time spent up to now is 33.2 secs Computing kpt #: 171 total cpu time spent up to now is 33.4 secs Computing kpt #: 172 total cpu time spent up to now is 33.5 secs Computing kpt #: 173 total cpu time spent up to now is 33.7 secs Computing kpt #: 174 total cpu time spent up to now is 33.9 secs Computing kpt #: 175 total cpu time spent up to now is 34.0 secs Computing kpt #: 176 total cpu time spent up to now is 34.2 secs Computing kpt #: 177 total cpu time spent up to now is 34.4 secs Computing kpt #: 178 total cpu time spent up to now is 34.5 secs Computing kpt #: 179 total cpu time spent up to now is 34.7 secs Computing kpt #: 180 total cpu time spent up to now is 34.9 secs Computing kpt #: 181 total cpu time spent up to now is 35.0 secs Computing kpt #: 182 total cpu time spent up to now is 35.2 secs Computing kpt #: 183 total cpu time spent up to now is 35.4 secs Computing kpt #: 184 total cpu time spent up to now is 35.6 secs Computing kpt #: 185 total cpu time spent up to now is 35.7 secs Computing kpt #: 186 total cpu time spent up to now is 35.9 secs Computing kpt #: 187 total cpu time spent up to now is 36.1 secs Computing kpt #: 188 total cpu time spent up to now is 36.2 secs Computing kpt #: 189 total cpu time spent up to now is 36.4 secs Computing kpt #: 190 total cpu time spent up to now is 36.6 secs Computing kpt #: 191 total cpu time spent up to now is 36.7 secs Computing kpt #: 192 total cpu time spent up to now is 36.9 secs Computing kpt #: 193 total cpu time spent up to now is 37.1 secs Computing kpt #: 194 total cpu time spent up to now is 37.2 secs Computing kpt #: 195 total cpu time spent up to now is 37.4 secs Computing kpt #: 196 total cpu time spent up to now is 37.5 secs Computing kpt #: 197 total cpu time spent up to now is 37.7 secs Computing kpt #: 198 total cpu time spent up to now is 37.9 secs Computing kpt #: 199 total cpu time spent up to now is 38.0 secs Computing kpt #: 200 total cpu time spent up to now is 38.2 secs Computing kpt #: 201 total cpu time spent up to now is 38.3 secs Computing kpt #: 202 total cpu time spent up to now is 38.5 secs Computing kpt #: 203 total cpu time spent up to now is 38.7 secs Computing kpt #: 204 total cpu time spent up to now is 38.8 secs Computing kpt #: 205 total cpu time spent up to now is 39.0 secs Computing kpt #: 206 total cpu time spent up to now is 39.1 secs Computing kpt #: 207 total cpu time spent up to now is 39.3 secs Computing kpt #: 208 total cpu time spent up to now is 39.5 secs Computing kpt #: 209 total cpu time spent up to now is 39.6 secs Computing kpt #: 210 total cpu time spent up to now is 39.8 secs Computing kpt #: 211 total cpu time spent up to now is 40.0 secs Computing kpt #: 212 total cpu time spent up to now is 40.1 secs Computing kpt #: 213 total cpu time spent up to now is 40.3 secs Computing kpt #: 214 total cpu time spent up to now is 40.5 secs Computing kpt #: 215 total cpu time spent up to now is 40.7 secs Computing kpt #: 216 total cpu time spent up to now is 40.9 secs Computing kpt #: 217 total cpu time spent up to now is 41.1 secs Computing kpt #: 218 total cpu time spent up to now is 41.2 secs Computing kpt #: 219 total cpu time spent up to now is 41.4 secs Computing kpt #: 220 total cpu time spent up to now is 41.7 secs Computing kpt #: 221 total cpu time spent up to now is 41.9 secs Computing kpt #: 222 total cpu time spent up to now is 42.1 secs Computing kpt #: 223 total cpu time spent up to now is 42.3 secs Computing kpt #: 224 total cpu time spent up to now is 42.5 secs Computing kpt #: 225 total cpu time spent up to now is 42.7 secs Computing kpt #: 226 total cpu time spent up to now is 42.9 secs Computing kpt #: 227 total cpu time spent up to now is 43.1 secs Computing kpt #: 228 total cpu time spent up to now is 43.3 secs Computing kpt #: 229 total cpu time spent up to now is 43.4 secs Computing kpt #: 230 total cpu time spent up to now is 43.6 secs Computing kpt #: 231 total cpu time spent up to now is 43.8 secs Computing kpt #: 232 total cpu time spent up to now is 44.1 secs Computing kpt #: 233 total cpu time spent up to now is 44.3 secs Computing kpt #: 234 total cpu time spent up to now is 44.5 secs Computing kpt #: 235 total cpu time spent up to now is 45.5 secs Computing kpt #: 236 total cpu time spent up to now is 45.7 secs Computing kpt #: 237 total cpu time spent up to now is 45.9 secs Computing kpt #: 238 total cpu time spent up to now is 46.1 secs Computing kpt #: 239 total cpu time spent up to now is 46.2 secs Computing kpt #: 240 total cpu time spent up to now is 46.4 secs Computing kpt #: 241 total cpu time spent up to now is 46.6 secs Computing kpt #: 242 total cpu time spent up to now is 46.8 secs Computing kpt #: 243 total cpu time spent up to now is 46.9 secs Computing kpt #: 244 total cpu time spent up to now is 47.1 secs Computing kpt #: 245 total cpu time spent up to now is 47.3 secs Computing kpt #: 246 total cpu time spent up to now is 47.5 secs Computing kpt #: 247 total cpu time spent up to now is 47.6 secs Computing kpt #: 248 total cpu time spent up to now is 47.8 secs Computing kpt #: 249 total cpu time spent up to now is 48.0 secs Computing kpt #: 250 total cpu time spent up to now is 48.1 secs Computing kpt #: 251 total cpu time spent up to now is 48.3 secs Computing kpt #: 252 total cpu time spent up to now is 48.4 secs Computing kpt #: 253 total cpu time spent up to now is 48.6 secs Computing kpt #: 254 total cpu time spent up to now is 48.8 secs Computing kpt #: 255 total cpu time spent up to now is 48.9 secs Computing kpt #: 256 total cpu time spent up to now is 49.1 secs Computing kpt #: 257 total cpu time spent up to now is 49.2 secs Computing kpt #: 258 total cpu time spent up to now is 49.3 secs Computing kpt #: 259 total cpu time spent up to now is 49.5 secs Computing kpt #: 260 total cpu time spent up to now is 49.6 secs Computing kpt #: 261 total cpu time spent up to now is 49.8 secs Computing kpt #: 262 total cpu time spent up to now is 49.9 secs Computing kpt #: 263 total cpu time spent up to now is 50.1 secs Computing kpt #: 264 total cpu time spent up to now is 50.2 secs Computing kpt #: 265 total cpu time spent up to now is 50.4 secs Computing kpt #: 266 total cpu time spent up to now is 50.6 secs Computing kpt #: 267 total cpu time spent up to now is 50.7 secs Computing kpt #: 268 total cpu time spent up to now is 50.9 secs Computing kpt #: 269 total cpu time spent up to now is 51.0 secs Computing kpt #: 270 total cpu time spent up to now is 51.2 secs Computing kpt #: 271 total cpu time spent up to now is 51.3 secs Computing kpt #: 272 total cpu time spent up to now is 51.5 secs Computing kpt #: 273 total cpu time spent up to now is 51.7 secs Computing kpt #: 274 total cpu time spent up to now is 51.8 secs Computing kpt #: 275 total cpu time spent up to now is 52.0 secs Computing kpt #: 276 total cpu time spent up to now is 52.1 secs Computing kpt #: 277 total cpu time spent up to now is 52.3 secs Computing kpt #: 278 total cpu time spent up to now is 52.4 secs Computing kpt #: 279 total cpu time spent up to now is 52.6 secs Computing kpt #: 280 total cpu time spent up to now is 52.7 secs Computing kpt #: 281 total cpu time spent up to now is 52.9 secs Computing kpt #: 282 total cpu time spent up to now is 53.0 secs Computing kpt #: 283 total cpu time spent up to now is 53.2 secs Computing kpt #: 284 total cpu time spent up to now is 53.3 secs Computing kpt #: 285 total cpu time spent up to now is 53.5 secs Computing kpt #: 286 total cpu time spent up to now is 53.7 secs Computing kpt #: 287 total cpu time spent up to now is 53.8 secs Computing kpt #: 288 total cpu time spent up to now is 54.0 secs Computing kpt #: 289 total cpu time spent up to now is 54.1 secs Computing kpt #: 290 total cpu time spent up to now is 54.3 secs Computing kpt #: 291 total cpu time spent up to now is 54.5 secs Computing kpt #: 292 total cpu time spent up to now is 54.6 secs Computing kpt #: 293 total cpu time spent up to now is 54.8 secs Computing kpt #: 294 total cpu time spent up to now is 55.0 secs Computing kpt #: 295 total cpu time spent up to now is 55.1 secs Computing kpt #: 296 total cpu time spent up to now is 55.3 secs Computing kpt #: 297 total cpu time spent up to now is 55.5 secs Computing kpt #: 298 total cpu time spent up to now is 55.6 secs Computing kpt #: 299 total cpu time spent up to now is 55.8 secs Computing kpt #: 300 total cpu time spent up to now is 56.0 secs Computing kpt #: 301 total cpu time spent up to now is 56.1 secs Computing kpt #: 302 total cpu time spent up to now is 56.3 secs Computing kpt #: 303 total cpu time spent up to now is 56.5 secs Computing kpt #: 304 total cpu time spent up to now is 56.6 secs Computing kpt #: 305 total cpu time spent up to now is 56.8 secs Computing kpt #: 306 total cpu time spent up to now is 57.0 secs Computing kpt #: 307 total cpu time spent up to now is 57.2 secs Computing kpt #: 308 total cpu time spent up to now is 57.3 secs Computing kpt #: 309 total cpu time spent up to now is 57.5 secs Computing kpt #: 310 total cpu time spent up to now is 57.8 secs Computing kpt #: 311 total cpu time spent up to now is 58.0 secs Computing kpt #: 312 total cpu time spent up to now is 58.1 secs Computing kpt #: 313 total cpu time spent up to now is 58.3 secs Computing kpt #: 314 total cpu time spent up to now is 58.5 secs Computing kpt #: 315 total cpu time spent up to now is 58.7 secs Computing kpt #: 316 total cpu time spent up to now is 58.8 secs Computing kpt #: 317 total cpu time spent up to now is 59.0 secs Computing kpt #: 318 total cpu time spent up to now is 59.2 secs Computing kpt #: 319 total cpu time spent up to now is 59.3 secs Computing kpt #: 320 total cpu time spent up to now is 59.5 secs Computing kpt #: 321 total cpu time spent up to now is 59.7 secs Computing kpt #: 322 total cpu time spent up to now is 59.9 secs Computing kpt #: 323 total cpu time spent up to now is 60.1 secs Computing kpt #: 324 total cpu time spent up to now is 60.3 secs Computing kpt #: 325 total cpu time spent up to now is 60.5 secs Computing kpt #: 326 total cpu time spent up to now is 60.8 secs Computing kpt #: 327 total cpu time spent up to now is 61.0 secs Computing kpt #: 328 total cpu time spent up to now is 61.2 secs Computing kpt #: 329 total cpu time spent up to now is 61.4 secs Computing kpt #: 330 total cpu time spent up to now is 61.6 secs Computing kpt #: 331 total cpu time spent up to now is 61.8 secs Computing kpt #: 332 total cpu time spent up to now is 62.0 secs Computing kpt #: 333 total cpu time spent up to now is 62.3 secs Computing kpt #: 334 total cpu time spent up to now is 62.5 secs Computing kpt #: 335 total cpu time spent up to now is 62.7 secs Computing kpt #: 336 total cpu time spent up to now is 62.9 secs Computing kpt #: 337 total cpu time spent up to now is 63.0 secs Computing kpt #: 338 total cpu time spent up to now is 63.2 secs Computing kpt #: 339 total cpu time spent up to now is 63.4 secs Computing kpt #: 340 total cpu time spent up to now is 63.6 secs Computing kpt #: 341 total cpu time spent up to now is 63.8 secs Computing kpt #: 342 total cpu time spent up to now is 64.0 secs Computing kpt #: 343 total cpu time spent up to now is 64.2 secs Computing kpt #: 344 total cpu time spent up to now is 64.3 secs Computing kpt #: 345 total cpu time spent up to now is 64.5 secs Computing kpt #: 346 total cpu time spent up to now is 64.7 secs Computing kpt #: 347 total cpu time spent up to now is 64.9 secs Computing kpt #: 348 total cpu time spent up to now is 65.0 secs Computing kpt #: 349 total cpu time spent up to now is 65.2 secs Computing kpt #: 350 total cpu time spent up to now is 65.4 secs Computing kpt #: 351 total cpu time spent up to now is 65.5 secs Computing kpt #: 352 total cpu time spent up to now is 65.7 secs Computing kpt #: 353 total cpu time spent up to now is 65.9 secs Computing kpt #: 354 total cpu time spent up to now is 66.1 secs Computing kpt #: 355 total cpu time spent up to now is 66.2 secs Computing kpt #: 356 total cpu time spent up to now is 66.4 secs Computing kpt #: 357 total cpu time spent up to now is 66.6 secs Computing kpt #: 358 total cpu time spent up to now is 66.8 secs Computing kpt #: 359 total cpu time spent up to now is 67.0 secs Computing kpt #: 360 total cpu time spent up to now is 67.1 secs Computing kpt #: 361 total cpu time spent up to now is 67.3 secs Computing kpt #: 362 total cpu time spent up to now is 67.5 secs Computing kpt #: 363 total cpu time spent up to now is 67.6 secs Computing kpt #: 364 total cpu time spent up to now is 67.8 secs Computing kpt #: 365 total cpu time spent up to now is 68.0 secs Computing kpt #: 366 total cpu time spent up to now is 68.2 secs Computing kpt #: 367 total cpu time spent up to now is 68.3 secs Computing kpt #: 368 total cpu time spent up to now is 68.5 secs Computing kpt #: 369 total cpu time spent up to now is 68.7 secs Computing kpt #: 370 total cpu time spent up to now is 68.9 secs Computing kpt #: 371 total cpu time spent up to now is 69.1 secs Computing kpt #: 372 total cpu time spent up to now is 69.2 secs Computing kpt #: 373 total cpu time spent up to now is 69.4 secs Computing kpt #: 374 total cpu time spent up to now is 69.6 secs Computing kpt #: 375 total cpu time spent up to now is 69.8 secs Computing kpt #: 376 total cpu time spent up to now is 70.0 secs Computing kpt #: 377 total cpu time spent up to now is 70.2 secs Computing kpt #: 378 total cpu time spent up to now is 70.4 secs Computing kpt #: 379 total cpu time spent up to now is 70.6 secs Computing kpt #: 380 total cpu time spent up to now is 70.8 secs Computing kpt #: 381 total cpu time spent up to now is 71.0 secs Computing kpt #: 382 total cpu time spent up to now is 71.2 secs Computing kpt #: 383 total cpu time spent up to now is 71.3 secs Computing kpt #: 384 total cpu time spent up to now is 71.5 secs Computing kpt #: 385 total cpu time spent up to now is 71.7 secs Computing kpt #: 386 total cpu time spent up to now is 71.9 secs Computing kpt #: 387 total cpu time spent up to now is 72.1 secs Computing kpt #: 388 total cpu time spent up to now is 72.3 secs Computing kpt #: 389 total cpu time spent up to now is 72.5 secs Computing kpt #: 390 total cpu time spent up to now is 72.7 secs Computing kpt #: 391 total cpu time spent up to now is 72.9 secs Computing kpt #: 392 total cpu time spent up to now is 73.1 secs Computing kpt #: 393 total cpu time spent up to now is 73.3 secs Computing kpt #: 394 total cpu time spent up to now is 73.5 secs Computing kpt #: 395 total cpu time spent up to now is 73.8 secs Computing kpt #: 396 total cpu time spent up to now is 74.0 secs Computing kpt #: 397 total cpu time spent up to now is 74.2 secs Computing kpt #: 398 total cpu time spent up to now is 74.4 secs Computing kpt #: 399 total cpu time spent up to now is 74.6 secs Computing kpt #: 400 total cpu time spent up to now is 74.8 secs Computing kpt #: 401 total cpu time spent up to now is 75.7 secs Computing kpt #: 402 total cpu time spent up to now is 75.9 secs Computing kpt #: 403 total cpu time spent up to now is 76.1 secs Computing kpt #: 404 total cpu time spent up to now is 76.3 secs Computing kpt #: 405 total cpu time spent up to now is 76.5 secs Computing kpt #: 406 total cpu time spent up to now is 76.8 secs Computing kpt #: 407 total cpu time spent up to now is 77.0 secs Computing kpt #: 408 total cpu time spent up to now is 77.2 secs Computing kpt #: 409 total cpu time spent up to now is 77.4 secs Computing kpt #: 410 total cpu time spent up to now is 77.7 secs Computing kpt #: 411 total cpu time spent up to now is 77.9 secs Computing kpt #: 412 total cpu time spent up to now is 78.1 secs Computing kpt #: 413 total cpu time spent up to now is 78.3 secs Computing kpt #: 414 total cpu time spent up to now is 78.5 secs Computing kpt #: 415 total cpu time spent up to now is 78.7 secs Computing kpt #: 416 total cpu time spent up to now is 79.0 secs Computing kpt #: 417 total cpu time spent up to now is 79.2 secs Computing kpt #: 418 total cpu time spent up to now is 79.4 secs Computing kpt #: 419 total cpu time spent up to now is 79.6 secs Computing kpt #: 420 total cpu time spent up to now is 79.7 secs Computing kpt #: 421 total cpu time spent up to now is 79.9 secs Computing kpt #: 422 total cpu time spent up to now is 80.1 secs Computing kpt #: 423 total cpu time spent up to now is 80.3 secs Computing kpt #: 424 total cpu time spent up to now is 80.5 secs Computing kpt #: 425 total cpu time spent up to now is 80.7 secs Computing kpt #: 426 total cpu time spent up to now is 80.9 secs Computing kpt #: 427 total cpu time spent up to now is 81.1 secs Computing kpt #: 428 total cpu time spent up to now is 81.3 secs Computing kpt #: 429 total cpu time spent up to now is 81.5 secs Computing kpt #: 430 total cpu time spent up to now is 81.7 secs Computing kpt #: 431 total cpu time spent up to now is 81.9 secs Computing kpt #: 432 total cpu time spent up to now is 82.1 secs Computing kpt #: 433 total cpu time spent up to now is 82.3 secs Computing kpt #: 434 total cpu time spent up to now is 82.5 secs Computing kpt #: 435 total cpu time spent up to now is 82.7 secs Computing kpt #: 436 total cpu time spent up to now is 82.9 secs Computing kpt #: 437 total cpu time spent up to now is 83.1 secs Computing kpt #: 438 total cpu time spent up to now is 83.2 secs Computing kpt #: 439 total cpu time spent up to now is 83.4 secs Computing kpt #: 440 total cpu time spent up to now is 83.7 secs Computing kpt #: 441 total cpu time spent up to now is 83.9 secs Computing kpt #: 442 total cpu time spent up to now is 84.1 secs Computing kpt #: 443 total cpu time spent up to now is 84.3 secs Computing kpt #: 444 total cpu time spent up to now is 84.4 secs Computing kpt #: 445 total cpu time spent up to now is 84.6 secs Computing kpt #: 446 total cpu time spent up to now is 84.8 secs Computing kpt #: 447 total cpu time spent up to now is 85.0 secs Computing kpt #: 448 total cpu time spent up to now is 85.2 secs Computing kpt #: 449 total cpu time spent up to now is 85.4 secs Computing kpt #: 450 total cpu time spent up to now is 85.6 secs Computing kpt #: 451 total cpu time spent up to now is 85.7 secs Computing kpt #: 452 total cpu time spent up to now is 85.9 secs Computing kpt #: 453 total cpu time spent up to now is 86.1 secs Computing kpt #: 454 total cpu time spent up to now is 86.3 secs Computing kpt #: 455 total cpu time spent up to now is 86.5 secs Computing kpt #: 456 total cpu time spent up to now is 86.7 secs Computing kpt #: 457 total cpu time spent up to now is 86.8 secs Computing kpt #: 458 total cpu time spent up to now is 87.0 secs Computing kpt #: 459 total cpu time spent up to now is 87.2 secs Computing kpt #: 460 total cpu time spent up to now is 87.4 secs ethr = 5.56E-08, avg # of iterations = 17.5 total cpu time spent up to now is 87.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): -16.6305 -16.6305 -15.7817 -15.7817 -2.4449 -2.4449 1.2638 1.2638 1.6023 1.6023 2.2202 2.2202 2.2386 2.2386 2.3464 2.3464 12.0644 12.0644 14.3147 14.3147 15.5571 15.5571 15.7292 15.7292 16.8097 16.8097 k = 0.0000 0.0000 0.0181 ( 1059 PWs) bands (ev): -16.6299 -16.6299 -15.7812 -15.7812 -2.4441 -2.4441 1.2624 1.2624 1.6005 1.6005 2.2146 2.2146 2.2415 2.2415 2.3443 2.3443 12.0682 12.0682 14.3186 14.3186 15.5605 15.5605 15.7328 15.7328 16.8111 16.8111 k = 0.0000 0.0000 0.0362 ( 1061 PWs) bands (ev): -16.6282 -16.6282 -15.7800 -15.7800 -2.4419 -2.4419 1.2582 1.2582 1.5954 1.5954 2.2021 2.2021 2.2457 2.2457 2.3376 2.3376 12.0794 12.0794 14.3304 14.3304 15.5704 15.5704 15.7438 15.7438 16.8152 16.8152 k = 0.0000 0.0000 0.0543 ( 1061 PWs) bands (ev): -16.6254 -16.6254 -15.7778 -15.7778 -2.4382 -2.4382 1.2512 1.2512 1.5869 1.5869 2.1858 2.1858 2.2486 2.2486 2.3264 2.3264 12.0980 12.0980 14.3500 14.3500 15.5867 15.5867 15.7621 15.7621 16.8221 16.8221 k = 0.0000 0.0000 0.0724 ( 1061 PWs) bands (ev): -16.6214 -16.6214 -15.7749 -15.7749 -2.4330 -2.4330 1.2413 1.2413 1.5749 1.5749 2.1661 2.1661 2.2495 2.2495 2.3111 2.3111 12.1239 12.1239 14.3774 14.3774 15.6095 15.6095 15.7876 15.7876 16.8317 16.8317 k = 0.0000 0.0000 0.0905 ( 1059 PWs) bands (ev): -16.6163 -16.6163 -15.7710 -15.7710 -2.4264 -2.4264 1.2286 1.2286 1.5597 1.5597 2.1432 2.1432 2.2484 2.2484 2.2916 2.2916 12.1569 12.1569 14.4123 14.4123 15.6384 15.6384 15.8203 15.8203 16.8440 16.8440 k = 0.0000 0.0000 0.1085 ( 1063 PWs) bands (ev): -16.6101 -16.6101 -15.7664 -15.7664 -2.4183 -2.4183 1.2130 1.2130 1.5411 1.5411 2.1170 2.1170 2.2450 2.2450 2.2686 2.2686 12.1969 12.1969 14.4546 14.4546 15.6734 15.6734 15.8600 15.8600 16.8589 16.8589 k = 0.0000 0.0000 0.1266 ( 1061 PWs) bands (ev): -16.6028 -16.6028 -15.7609 -15.7609 -2.4088 -2.4088 1.1945 1.1945 1.5193 1.5193 2.0876 2.0876 2.2339 2.2339 2.2481 2.2481 12.2436 12.2436 14.5041 14.5041 15.7141 15.7141 15.9069 15.9069 16.8762 16.8762 k = 0.0000 0.0000 0.1447 ( 1061 PWs) bands (ev): -16.5944 -16.5944 -15.7546 -15.7546 -2.3978 -2.3978 1.1731 1.1731 1.4943 1.4943 2.0552 2.0552 2.2056 2.2056 2.2397 2.2397 12.2968 12.2968 14.5605 14.5605 15.7602 15.7602 15.9605 15.9605 16.8959 16.8959 k = 0.0000 0.0000 0.1628 ( 1061 PWs) bands (ev): -16.5848 -16.5848 -15.7475 -15.7475 -2.3854 -2.3854 1.1489 1.1489 1.4662 1.4662 2.0196 2.0196 2.1709 2.1709 2.2331 2.2331 12.3562 12.3562 14.6236 14.6236 15.8112 15.8112 16.0210 16.0210 16.9178 16.9178 k = 0.0000 0.0000 0.1809 ( 1057 PWs) bands (ev): -16.5742 -16.5742 -15.7396 -15.7396 -2.3716 -2.3716 1.1218 1.1218 1.4351 1.4351 1.9812 1.9812 2.1325 2.1325 2.2260 2.2260 12.4215 12.4215 14.6929 14.6929 15.8668 15.8668 16.0880 16.0880 16.9418 16.9418 k = 0.0000 0.0000 0.1990 ( 1057 PWs) bands (ev): -16.5625 -16.5625 -15.7309 -15.7309 -2.3565 -2.3565 1.0919 1.0919 1.4010 1.4010 1.9398 1.9398 2.0908 2.0908 2.2185 2.2185 12.4923 12.4923 14.7682 14.7682 15.9262 15.9262 16.1615 16.1615 16.9677 16.9677 k = 0.0000 0.0000 0.2171 ( 1061 PWs) bands (ev): -16.5497 -16.5497 -15.7214 -15.7214 -2.3399 -2.3399 1.0591 1.0591 1.3642 1.3642 1.8957 1.8957 2.0460 2.0460 2.2105 2.2105 12.5682 12.5682 14.8489 14.8489 15.9886 15.9886 16.2413 16.2413 16.9951 16.9951 k = 0.0000 0.0000 0.2352 ( 1061 PWs) bands (ev): -16.5359 -16.5359 -15.7112 -15.7112 -2.3221 -2.3221 1.0236 1.0236 1.3247 1.3247 1.8490 1.8490 1.9985 1.9985 2.2023 2.2023 12.6490 12.6490 14.9347 14.9347 16.0531 16.0531 16.3272 16.3272 17.0237 17.0237 k = 0.0000 0.0000 0.2533 ( 1057 PWs) bands (ev): -16.5210 -16.5210 -15.7002 -15.7002 -2.3029 -2.3029 0.9855 0.9855 1.2826 1.2826 1.8000 1.8000 1.9484 1.9484 2.1939 2.1939 12.7342 12.7342 15.0249 15.0249 16.1186 16.1186 16.4190 16.4190 17.0533 17.0533 k = 0.0000 0.0000 0.2714 ( 1051 PWs) bands (ev): -16.5052 -16.5052 -15.6885 -15.6885 -2.2823 -2.2823 0.9448 0.9448 1.2382 1.2382 1.7486 1.7486 1.8961 1.8961 2.1856 2.1856 12.8235 12.8235 15.1189 15.1189 16.1836 16.1836 16.5165 16.5165 17.0834 17.0834 k = 0.0000 0.0000 0.2895 ( 1047 PWs) bands (ev): -16.4883 -16.4883 -15.6761 -15.6761 -2.2606 -2.2606 0.9017 0.9017 1.1915 1.1915 1.6952 1.6952 1.8417 1.8417 2.1773 2.1773 12.9163 12.9163 15.2160 15.2160 16.2463 16.2463 16.6195 16.6195 17.1134 17.1134 k = 0.0000 0.0000 0.3075 ( 1051 PWs) bands (ev): -16.4704 -16.4704 -15.6630 -15.6630 -2.2376 -2.2376 0.8562 0.8562 1.1426 1.1426 1.6398 1.6398 1.7854 1.7854 2.1690 2.1690 13.0122 13.0122 15.3155 15.3155 16.3048 16.3048 16.7277 16.7277 17.1428 17.1428 k = 0.0000 0.0000 0.3256 ( 1051 PWs) bands (ev): -16.4516 -16.4516 -15.6492 -15.6492 -2.2135 -2.2135 0.8086 0.8086 1.0918 1.0918 1.5826 1.5826 1.7275 1.7275 2.1609 2.1609 13.1110 13.1110 15.4165 15.4165 16.3568 16.3568 16.8408 16.8408 17.1709 17.1709 k = 0.0000 0.0000 0.3437 ( 1043 PWs) bands (ev): -16.4319 -16.4319 -15.6348 -15.6348 -2.1881 -2.1881 0.7590 0.7590 1.0393 1.0393 1.5239 1.5239 1.6682 1.6682 2.1530 2.1530 13.2120 13.2120 15.5180 15.5180 16.3998 16.3998 16.9587 16.9587 17.1970 17.1970 k = 0.0000 0.0000 0.3618 ( 1043 PWs) bands (ev): -16.4112 -16.4112 -15.6198 -15.6198 -2.1617 -2.1617 0.7075 0.7075 0.9852 0.9852 1.4638 1.4638 1.6076 1.6076 2.1452 2.1452 13.3149 13.3149 15.6188 15.6188 16.4315 16.4315 17.0808 17.0808 17.2201 17.2201 k = 0.0000 0.0000 0.3799 ( 1043 PWs) bands (ev): -16.3896 -16.3896 -15.6041 -15.6041 -2.1343 -2.1343 0.6543 0.6543 0.9296 0.9296 1.4024 1.4024 1.5461 1.5461 2.1377 2.1377 13.4193 13.4193 15.7175 15.7175 16.4504 16.4504 17.2069 17.2069 17.2396 17.2396 k = 0.0000 0.0000 0.3980 ( 1039 PWs) bands (ev): -16.3672 -16.3672 -15.5880 -15.5880 -2.1058 -2.1058 0.5997 0.5997 0.8729 0.8729 1.3400 1.3400 1.4837 1.4837 2.1303 2.1303 13.5247 13.5247 15.8128 15.8128 16.4555 16.4555 17.2539 17.2539 17.3371 17.3371 k = 0.0000 0.0000 0.4161 ( 1039 PWs) bands (ev): -16.3439 -16.3439 -15.5712 -15.5712 -2.0764 -2.0764 0.5436 0.5436 0.8151 0.8151 1.2767 1.2767 1.4207 1.4207 2.1230 2.1230 13.6305 13.6305 15.9027 15.9027 16.4471 16.4471 17.2627 17.2627 17.4702 17.4702 k = 0.0000 0.0000 0.4342 ( 1039 PWs) bands (ev): -16.3198 -16.3198 -15.5540 -15.5540 -2.0461 -2.0461 0.4863 0.4863 0.7564 0.7564 1.2126 1.2126 1.3572 1.3572 2.1159 2.1159 13.7365 13.7365 15.9854 15.9854 16.4266 16.4266 17.2649 17.2649 17.6061 17.6061 k = 0.0000 0.0000 0.4523 ( 1039 PWs) bands (ev): -16.2950 -16.2950 -15.5362 -15.5362 -2.0149 -2.0149 0.4281 0.4281 0.6971 0.6971 1.1479 1.1479 1.2934 1.2934 2.1089 2.1089 13.8421 13.8421 16.0583 16.0583 16.3963 16.3963 17.2596 17.2596 17.7443 17.7443 k = 0.0000 0.0000 0.4704 ( 1043 PWs) bands (ev): -16.2694 -16.2694 -15.5180 -15.5180 -1.9831 -1.9831 0.3689 0.3689 0.6372 0.6372 1.0827 1.0827 1.2295 1.2295 2.1020 2.1020 13.9467 13.9467 16.1180 16.1180 16.3595 16.3595 17.2461 17.2461 17.8841 17.8841 k = 0.0000 0.0000 0.4885 ( 1043 PWs) bands (ev): -16.2430 -16.2430 -15.4994 -15.4994 -1.9505 -1.9505 0.3091 0.3091 0.5770 0.5770 1.0173 1.0173 1.1656 1.1656 2.0951 2.0951 14.0501 14.0501 16.1586 16.1586 16.3223 16.3223 17.2240 17.2240 18.0248 18.0248 k = 0.0000 0.0000 0.5065 ( 1045 PWs) bands (ev): -16.2160 -16.2160 -15.4804 -15.4804 -1.9174 -1.9174 0.2487 0.2487 0.5167 0.5167 0.9517 0.9517 1.1020 1.1020 2.0882 2.0882 14.1515 14.1515 16.1686 16.1686 16.2961 16.2961 17.1931 17.1931 18.1654 18.1654 k = 0.0000 0.0000 0.5246 ( 1041 PWs) bands (ev): -16.1882 -16.1882 -15.4610 -15.4610 -1.8838 -1.8838 0.1879 0.1879 0.4564 0.4564 0.8861 0.8861 1.0387 1.0387 2.0812 2.0812 14.2504 14.2504 16.1417 16.1417 16.2873 16.2873 17.1536 17.1536 18.3048 18.3048 k = 0.0000 0.0000 0.5427 ( 1041 PWs) bands (ev): -16.1599 -16.1599 -15.4413 -15.4413 -1.8499 -1.8499 0.1269 0.1269 0.3962 0.3962 0.8206 0.8206 0.9760 0.9760 2.0742 2.0742 14.3462 14.3462 16.0935 16.0935 16.2805 16.2805 17.1058 17.1058 18.4417 18.4417 k = 0.0000 0.0000 0.5608 ( 1045 PWs) bands (ev): -16.1310 -16.1310 -15.4214 -15.4214 -1.8156 -1.8156 0.0657 0.0657 0.3364 0.3364 0.7552 0.7552 0.9140 0.9140 2.0670 2.0670 14.4382 14.4382 16.0370 16.0370 16.2631 16.2631 17.0505 17.0505 18.5742 18.5742 k = 0.0000 0.0000 0.5789 ( 1049 PWs) bands (ev): -16.1015 -16.1015 -15.4011 -15.4011 -1.7813 -1.7813 0.0046 0.0046 0.2770 0.2770 0.6901 0.6901 0.8529 0.8529 2.0597 2.0597 14.5256 14.5256 15.9773 15.9773 16.2310 16.2310 16.9887 16.9887 18.7005 18.7005 k = 0.0000 0.0000 0.5970 ( 1049 PWs) bands (ev): -16.0715 -16.0715 -15.3807 -15.3807 -1.7470 -1.7470 -0.0564 -0.0564 0.2182 0.2182 0.6255 0.6255 0.7929 0.7929 2.0521 2.0521 14.6075 14.6075 15.9164 15.9164 16.1835 16.1835 16.9217 16.9217 18.8180 18.8180 k = 0.0000 0.0000 0.6151 ( 1049 PWs) bands (ev): -16.0410 -16.0410 -15.3601 -15.3601 -1.7128 -1.7128 -0.1170 -0.1170 0.1602 0.1602 0.5615 0.5615 0.7342 0.7342 2.0443 2.0443 14.6827 14.6827 15.8554 15.8554 16.1210 16.1210 16.8510 16.8510 18.9244 18.9244 k = 0.0000 0.0000 0.6332 ( 1049 PWs) bands (ev): -16.0101 -16.0101 -15.3393 -15.3393 -1.6791 -1.6791 -0.1773 -0.1773 0.1030 0.1030 0.4980 0.4980 0.6769 0.6769 2.0363 2.0363 14.7500 14.7500 15.7949 15.7949 16.0448 16.0448 16.7784 16.7784 19.0171 19.0171 k = 0.0000 0.0000 0.6513 ( 1045 PWs) bands (ev): -15.9788 -15.9788 -15.3184 -15.3184 -1.6458 -1.6458 -0.2371 -0.2371 0.0469 0.0469 0.4352 0.4352 0.6213 0.6213 2.0280 2.0280 14.8080 14.8080 15.7351 15.7351 15.9566 15.9566 16.7061 16.7061 19.0944 19.0944 k = 0.0000 0.0000 0.6694 ( 1047 PWs) bands (ev): -15.9471 -15.9471 -15.2975 -15.2975 -1.6133 -1.6133 -0.2963 -0.2963 -0.0081 -0.0081 0.3732 0.3732 0.5676 0.5676 2.0193 2.0193 14.8547 14.8547 15.6757 15.6757 15.8587 15.8587 16.6362 16.6362 19.1555 19.1555 k = 0.0000 0.0000 0.6875 ( 1047 PWs) bands (ev): -15.9150 -15.9150 -15.2766 -15.2766 -1.5819 -1.5819 -0.3548 -0.3548 -0.0618 -0.0618 0.3120 0.3120 0.5161 0.5161 2.0102 2.0102 14.8884 14.8884 15.6149 15.6149 15.7547 15.7547 16.5712 16.5712 19.2009 19.2009 k = 0.0000 0.0000 0.7055 ( 1055 PWs) bands (ev): -15.8828 -15.8828 -15.2557 -15.2557 -1.5517 -1.5517 -0.4125 -0.4125 -0.1143 -0.1143 0.2517 0.2517 0.4669 0.4669 2.0007 2.0007 14.9072 14.9072 15.5462 15.5462 15.6527 15.6527 16.5136 16.5136 19.2039 19.2039 k = 0.0000 0.0000 0.7236 ( 1055 PWs) bands (ev): -15.8503 -15.8503 -15.2349 -15.2349 -1.5230 -1.5230 -0.4694 -0.4694 -0.1652 -0.1652 0.1925 0.1925 0.4204 0.4204 1.9907 1.9907 14.9092 14.9092 15.4549 15.4549 15.5692 15.5692 16.4654 16.4654 19.0644 19.0644 k = 0.0000 0.0000 0.7417 ( 1055 PWs) bands (ev): -15.8175 -15.8175 -15.2141 -15.2141 -1.4962 -1.4962 -0.5253 -0.5253 -0.2146 -0.2146 0.1343 0.1343 0.3769 0.3769 1.9803 1.9803 14.8936 14.8936 15.3386 15.3386 15.5081 15.5081 16.4282 16.4282 18.9295 18.9295 k = 0.0000 0.0000 0.7598 ( 1047 PWs) bands (ev): -15.7846 -15.7846 -15.1935 -15.1935 -1.4714 -1.4714 -0.5801 -0.5801 -0.2623 -0.2623 0.0773 0.0773 0.3368 0.3368 1.9694 1.9694 14.8602 14.8602 15.2095 15.2095 15.4585 15.4585 16.4025 16.4025 18.7998 18.7998 k = 0.0000 0.0000 0.7779 ( 1051 PWs) bands (ev): -15.7517 -15.7517 -15.1731 -15.1731 -1.4492 -1.4492 -0.6340 -0.6340 -0.3084 -0.3084 0.0214 0.0214 0.3002 0.3002 1.9580 1.9580 14.8097 14.8097 15.0740 15.0740 15.4151 15.4151 16.3879 16.3879 18.6751 18.6751 k = 0.0000 0.0000 0.7960 ( 1055 PWs) bands (ev): -15.7187 -15.7187 -15.1530 -15.1530 -1.4296 -1.4296 -0.6867 -0.6867 -0.3529 -0.3529 -0.0333 -0.0333 0.2676 0.2676 1.9460 1.9460 14.7438 14.7438 14.9350 14.9350 15.3761 15.3761 16.3830 16.3830 18.5553 18.5553 k = 0.0000 0.0000 0.8141 ( 1055 PWs) bands (ev): -15.6857 -15.6857 -15.1331 -15.1331 -1.4130 -1.4130 -0.7382 -0.7382 -0.3956 -0.3956 -0.0868 -0.0868 0.2393 0.2393 1.9334 1.9334 14.6649 14.6649 14.7940 14.7940 15.3413 15.3413 16.3858 16.3858 18.4402 18.4402 k = 0.0000 0.0000 0.8322 ( 1055 PWs) bands (ev): -15.6527 -15.6527 -15.1135 -15.1135 -1.3996 -1.3996 -0.7886 -0.7886 -0.4367 -0.4367 -0.1390 -0.1390 0.2156 0.2156 1.9202 1.9202 14.5751 14.5751 14.6520 14.6520 15.3103 15.3103 16.3944 16.3944 18.3297 18.3297 k = 0.0000 0.0000 0.8503 ( 1053 PWs) bands (ev): -15.6198 -15.6198 -15.0943 -15.0943 -1.3895 -1.3895 -0.8377 -0.8377 -0.4761 -0.4761 -0.1897 -0.1897 0.1967 0.1967 1.9063 1.9063 14.4769 14.4769 14.5099 14.5099 15.2831 15.2831 16.4068 16.4068 18.2235 18.2235 k = 0.0000 0.0000 0.8684 ( 1061 PWs) bands (ev): -15.5871 -15.5871 -15.0755 -15.0755 -1.3830 -1.3830 -0.8855 -0.8855 -0.5141 -0.5141 -0.2392 -0.2392 0.1829 0.1829 1.8917 1.8917 14.3678 14.3678 14.3727 14.3727 15.2597 15.2597 16.4214 16.4214 18.1215 18.1215 k = 0.0000 0.0000 0.8865 ( 1061 PWs) bands (ev): -15.5545 -15.5545 -15.0572 -15.0572 -1.3798 -1.3798 -0.9320 -0.9320 -0.5505 -0.5505 -0.2873 -0.2873 0.1742 0.1742 1.8766 1.8766 14.2278 14.2278 14.2630 14.2630 15.2401 15.2401 16.4369 16.4369 18.0235 18.0235 k = 0.0000 0.0000 0.9045 ( 1061 PWs) bands (ev): -15.5222 -15.5222 -15.0393 -15.0393 -1.3800 -1.3800 -0.9772 -0.9772 -0.5856 -0.5856 -0.3340 -0.3340 0.1708 0.1708 1.8607 1.8607 14.0892 14.0892 14.1504 14.1504 15.2245 15.2245 16.4521 16.4521 17.9295 17.9295 k = 0.0000 0.0000 0.9226 ( 1061 PWs) bands (ev): -15.4901 -15.4901 -15.0220 -15.0220 -1.3833 -1.3833 -1.0210 -1.0210 -0.6193 -0.6193 -0.3793 -0.3793 0.1725 0.1725 1.8442 1.8442 13.9527 13.9527 14.0357 14.0357 15.2127 15.2127 16.4665 16.4665 17.8393 17.8393 k = 0.0000 0.0000 0.9407 ( 1057 PWs) bands (ev): -15.4584 -15.4584 -15.0052 -15.0052 -1.3894 -1.3894 -1.0634 -1.0634 -0.6519 -0.6519 -0.4231 -0.4231 0.1791 0.1791 1.8269 1.8269 13.8189 13.8189 13.9201 13.9201 15.2048 15.2048 16.4793 16.4793 17.7527 17.7527 k = 0.0000 0.0000 0.9588 ( 1065 PWs) bands (ev): -15.4270 -15.4270 -14.9891 -14.9891 -1.3982 -1.3982 -1.1045 -1.1045 -0.6833 -0.6833 -0.4655 -0.4655 0.1904 0.1904 1.8088 1.8088 13.6880 13.6880 13.8042 13.8042 15.2010 15.2010 16.4904 16.4904 17.6697 17.6697 k = 0.0000 0.0000 0.9769 ( 1065 PWs) bands (ev): -15.3960 -15.3960 -14.9737 -14.9737 -1.4091 -1.4091 -1.1442 -1.1442 -0.7136 -0.7136 -0.5064 -0.5064 0.2060 0.2060 1.7900 1.7900 13.5605 13.5605 13.6889 13.6889 15.2011 15.2011 16.4996 16.4996 17.5901 17.5901 k = 0.0000 0.0000 0.9950 ( 1065 PWs) bands (ev): -15.3655 -15.3655 -14.9589 -14.9589 -1.4218 -1.4218 -1.1825 -1.1825 -0.7427 -0.7427 -0.5457 -0.5457 0.2256 0.2256 1.7704 1.7704 13.4366 13.4366 13.5748 13.5748 15.2053 15.2053 16.5068 16.5068 17.5140 17.5140 k = 0.0000 0.0000 1.0131 ( 1069 PWs) bands (ev): -15.3356 -15.3356 -14.9448 -14.9448 -1.4359 -1.4359 -1.2193 -1.2193 -0.7708 -0.7708 -0.5836 -0.5836 0.2489 0.2489 1.7499 1.7499 13.3167 13.3167 13.4623 13.4623 15.2136 15.2136 16.5120 16.5120 17.4410 17.4410 k = 0.0000 0.0000 1.0312 ( 1061 PWs) bands (ev): -15.3061 -15.3061 -14.9315 -14.9315 -1.4511 -1.4511 -1.2547 -1.2547 -0.7976 -0.7976 -0.6200 -0.6200 0.2753 0.2753 1.7288 1.7288 13.2009 13.2009 13.3521 13.3521 15.2261 15.2261 16.5155 16.5155 17.3714 17.3714 k = 0.0000 0.0000 1.0493 ( 1061 PWs) bands (ev): -15.2772 -15.2772 -14.9191 -14.9191 -1.4671 -1.4671 -1.2887 -1.2887 -0.8233 -0.8233 -0.6549 -0.6549 0.3046 0.3046 1.7067 1.7067 13.0896 13.0896 13.2444 13.2444 15.2426 15.2426 16.5173 16.5173 17.3048 17.3048 k = 0.0000 0.0000 1.0674 ( 1062 PWs) bands (ev): -15.2490 -15.2490 -14.9074 -14.9074 -1.4834 -1.4834 -1.3213 -1.3213 -0.8477 -0.8477 -0.6882 -0.6882 0.3363 0.3363 1.6839 1.6839 12.9830 12.9830 13.1397 13.1397 15.2633 15.2633 16.5176 16.5176 17.2413 17.2413 k = 0.0000 0.0000 1.0855 ( 1066 PWs) bands (ev): -15.2215 -15.2215 -14.8967 -14.8967 -1.5000 -1.5000 -1.3524 -1.3524 -0.8709 -0.8709 -0.7201 -0.7201 0.3701 0.3701 1.6602 1.6602 12.8812 12.8812 13.0382 13.0382 15.2882 15.2882 16.5168 16.5168 17.1808 17.1808 k = 0.0000 0.0000 1.1035 ( 1066 PWs) bands (ev): -15.1947 -15.1947 -14.8869 -14.8869 -1.5164 -1.5164 -1.3821 -1.3821 -0.8927 -0.8927 -0.7505 -0.7505 0.4056 0.4056 1.6357 1.6357 12.7844 12.7844 12.9404 12.9404 15.3173 15.3173 16.5150 16.5150 17.1233 17.1233 k = 0.0000 0.0000 1.1216 ( 1068 PWs) bands (ev): -15.1686 -15.1686 -14.8780 -14.8780 -1.5326 -1.5326 -1.4102 -1.4102 -0.9131 -0.9131 -0.7793 -0.7793 0.4427 0.4427 1.6103 1.6103 12.6928 12.6928 12.8463 12.8463 15.3506 15.3506 16.5126 16.5126 17.0686 17.0686 k = 0.0000 0.0000 1.1397 ( 1068 PWs) bands (ev): -15.1433 -15.1433 -14.8700 -14.8700 -1.5482 -1.5482 -1.4370 -1.4370 -0.9322 -0.9322 -0.8067 -0.8067 0.4810 0.4810 1.5841 1.5841 12.6065 12.6065 12.7564 12.7564 15.3881 15.3881 16.5097 16.5097 17.0168 17.0168 k = 0.0000 0.0000 1.1578 ( 1068 PWs) bands (ev): -15.1189 -15.1189 -14.8631 -14.8631 -1.5633 -1.5633 -1.4622 -1.4622 -0.9498 -0.9498 -0.8325 -0.8325 0.5204 0.5204 1.5570 1.5570 12.5258 12.5258 12.6707 12.6707 15.4298 15.4298 16.5066 16.5066 16.9678 16.9678 k = 0.0000 0.0000 1.1759 ( 1068 PWs) bands (ev): -15.0953 -15.0953 -14.8572 -14.8572 -1.5775 -1.5775 -1.4859 -1.4859 -0.9660 -0.9660 -0.8569 -0.8569 0.5605 0.5605 1.5290 1.5290 12.4506 12.4506 12.5896 12.5896 15.4756 15.4756 16.5036 16.5036 16.9216 16.9216 k = 0.0000 0.0000 1.1940 ( 1064 PWs) bands (ev): -15.0726 -15.0726 -14.8522 -14.8522 -1.5908 -1.5908 -1.5081 -1.5081 -0.9807 -0.9807 -0.8797 -0.8797 0.6013 0.6013 1.5003 1.5003 12.3811 12.3811 12.5132 12.5132 15.5257 15.5257 16.5008 16.5008 16.8780 16.8780 k = 0.0000 0.0000 1.2121 ( 1060 PWs) bands (ev): -15.0509 -15.0509 -14.8484 -14.8484 -1.6032 -1.6032 -1.5288 -1.5288 -0.9939 -0.9939 -0.9010 -0.9010 0.6425 0.6425 1.4706 1.4706 12.3175 12.3175 12.4417 12.4417 15.5798 15.5798 16.4985 16.4985 16.8371 16.8371 k = 0.0000 0.0000 1.2302 ( 1056 PWs) bands (ev): -15.0301 -15.0301 -14.8456 -14.8456 -1.6144 -1.6144 -1.5479 -1.5479 -1.0055 -1.0055 -0.9209 -0.9209 0.6840 0.6840 1.4401 1.4401 12.2597 12.2597 12.3753 12.3753 15.6381 15.6381 16.4969 16.4969 16.7989 16.7989 k = 0.0000 0.0000 1.2483 ( 1056 PWs) bands (ev): -15.0103 -15.0103 -14.8440 -14.8440 -1.6245 -1.6245 -1.5656 -1.5656 -1.0157 -1.0157 -0.9393 -0.9393 0.7256 0.7256 1.4088 1.4088 12.2079 12.2079 12.3141 12.3141 15.7005 15.7005 16.4961 16.4961 16.7632 16.7632 k = 0.0000 0.0000 1.2664 ( 1054 PWs) bands (ev): -14.9916 -14.9916 -14.8435 -14.8435 -1.6334 -1.6334 -1.5817 -1.5817 -1.0243 -1.0243 -0.9562 -0.9562 0.7673 0.7673 1.3766 1.3766 12.1621 12.1621 12.2582 12.2582 15.7669 15.7669 16.4962 16.4962 16.7300 16.7300 k = 0.0000 0.0000 1.2845 ( 1056 PWs) bands (ev): -14.9739 -14.9739 -14.8441 -14.8441 -1.6410 -1.6410 -1.5963 -1.5963 -1.0314 -1.0314 -0.9716 -0.9716 0.8088 0.8088 1.3436 1.3436 12.1224 12.1224 12.2077 12.2077 15.8372 15.8372 16.4976 16.4976 16.6992 16.6992 k = 0.0000 0.0000 1.3025 ( 1052 PWs) bands (ev): -14.9572 -14.9572 -14.8458 -14.8458 -1.6473 -1.6473 -1.6093 -1.6093 -1.0369 -1.0369 -0.9856 -0.9856 0.8503 0.8503 1.3098 1.3098 12.0887 12.0887 12.1629 12.1629 15.9115 15.9115 16.5003 16.5003 16.6709 16.6709 k = 0.0000 0.0000 1.3206 ( 1048 PWs) bands (ev): -14.9416 -14.9416 -14.8487 -14.8487 -1.6522 -1.6522 -1.6208 -1.6208 -1.0410 -1.0410 -0.9980 -0.9980 0.8914 0.8914 1.2752 1.2752 12.0613 12.0613 12.1238 12.1238 15.9896 15.9896 16.5044 16.5044 16.6450 16.6450 k = 0.0000 0.0000 1.3387 ( 1046 PWs) bands (ev): -14.9272 -14.9272 -14.8528 -14.8528 -1.6557 -1.6557 -1.6307 -1.6307 -1.0435 -1.0435 -1.0090 -1.0090 0.9323 0.9323 1.2398 1.2398 12.0400 12.0400 12.0904 12.0904 16.0715 16.0715 16.5100 16.5100 16.6213 16.6213 k = 0.0000 0.0000 1.3568 ( 1050 PWs) bands (ev): -14.9139 -14.9139 -14.8580 -14.8580 -1.6578 -1.6578 -1.6392 -1.6392 -1.0445 -1.0445 -1.0186 -1.0186 0.9727 0.9727 1.2036 1.2036 12.0249 12.0249 12.0630 12.0630 16.1569 16.1569 16.5173 16.5173 16.5997 16.5997 k = 0.0000 0.0000 1.3749 ( 1048 PWs) bands (ev): -14.9017 -14.9017 -14.8644 -14.8644 -1.6584 -1.6584 -1.6460 -1.6460 -1.0439 -1.0439 -1.0266 -1.0266 1.0126 1.0126 1.1667 1.1667 12.0159 12.0159 12.0414 12.0414 16.2458 16.2458 16.5265 16.5265 16.5794 16.5794 k = 0.0000 0.0000 1.3930 ( 1048 PWs) bands (ev): -14.8906 -14.8906 -14.8720 -14.8720 -1.6576 -1.6576 -1.6514 -1.6514 -1.0418 -1.0418 -1.0332 -1.0332 1.0521 1.0521 1.1292 1.1292 12.0131 12.0131 12.0259 12.0259 16.3381 16.3381 16.5298 16.5298 16.5375 16.5375 k = 0.0000 0.0000 1.4111 ( 1044 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6552 -1.6552 -1.6552 -1.6552 -1.0382 -1.0382 -1.0382 -1.0382 1.0909 1.0909 1.0909 1.0909 12.0165 12.0165 12.0165 12.0165 16.4334 16.4334 16.4334 16.4334 16.5507 16.5507 k = 0.0000 0.0000 1.4111 ( 1044 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6552 -1.6552 -1.6552 -1.6552 -1.0382 -1.0382 -1.0382 -1.0382 1.0909 1.0909 1.0909 1.0909 12.0165 12.0165 12.0165 12.0165 16.4334 16.4334 16.4334 16.4334 16.5507 16.5507 k =-0.0060 0.0158 1.4111 ( 1046 PWs) bands (ev): -14.8812 -14.8812 -14.8812 -14.8812 -1.6570 -1.6570 -1.6525 -1.6525 -1.0407 -1.0407 -1.0341 -1.0341 1.0895 1.0895 1.0917 1.0917 12.0187 12.0187 12.0192 12.0192 16.3956 16.3956 16.3962 16.3962 16.5887 16.5887 k =-0.0120 0.0316 1.4111 ( 1046 PWs) bands (ev): -14.8828 -14.8828 -14.8828 -14.8828 -1.6579 -1.6579 -1.6488 -1.6488 -1.0413 -1.0413 -1.0282 -1.0282 1.0875 1.0875 1.0920 1.0920 12.0259 12.0259 12.0269 12.0269 16.3304 16.3304 16.3304 16.3304 16.6589 16.6589 k =-0.0179 0.0474 1.4111 ( 1046 PWs) bands (ev): -14.8854 -14.8854 -14.8853 -14.8853 -1.6578 -1.6578 -1.6442 -1.6442 -1.0402 -1.0402 -1.0206 -1.0206 1.0849 1.0849 1.0916 1.0916 12.0381 12.0381 12.0395 12.0395 16.2610 16.2610 16.2618 16.2618 16.7362 16.7362 k =-0.0239 0.0632 1.4111 ( 1050 PWs) bands (ev): -14.8890 -14.8890 -14.8890 -14.8890 -1.6567 -1.6567 -1.6387 -1.6387 -1.0374 -1.0374 -1.0114 -1.0114 1.0816 1.0816 1.0906 1.0906 12.0552 12.0552 12.0570 12.0570 16.1921 16.1921 16.1938 16.1938 16.8164 16.8164 k =-0.0299 0.0789 1.4111 ( 1050 PWs) bands (ev): -14.8936 -14.8936 -14.8936 -14.8936 -1.6546 -1.6546 -1.6322 -1.6322 -1.0329 -1.0329 -1.0004 -1.0004 1.0778 1.0778 1.0891 1.0891 12.0771 12.0771 12.0794 12.0794 16.1249 16.1249 16.1274 16.1274 16.8985 16.8985 k =-0.0359 0.0947 1.4111 ( 1058 PWs) bands (ev): -14.8993 -14.8993 -14.8992 -14.8992 -1.6516 -1.6516 -1.6249 -1.6249 -1.0266 -1.0266 -0.9877 -0.9877 1.0733 1.0733 1.0870 1.0870 12.1038 12.1038 12.1066 12.1066 16.0598 16.0598 16.0632 16.0632 16.9820 16.9820 k =-0.0359 0.0947 1.4111 ( 1058 PWs) bands (ev): -14.8993 -14.8993 -14.8992 -14.8992 -1.6516 -1.6516 -1.6249 -1.6249 -1.0266 -1.0266 -0.9877 -0.9877 1.0733 1.0733 1.0870 1.0870 12.1038 12.1038 12.1066 12.1066 16.0598 16.0598 16.0632 16.0632 16.9820 16.9820 k =-0.0404 0.1067 1.3983 ( 1057 PWs) bands (ev): -14.9110 -14.9110 -14.8980 -14.8980 -1.6491 -1.6491 -1.6179 -1.6179 -1.0200 -1.0200 -0.9764 -0.9764 1.0494 1.0494 1.1049 1.1049 12.1262 12.1262 12.1345 12.1345 15.9609 15.9609 16.0671 16.0671 17.0279 17.0279 k =-0.0450 0.1187 1.3854 ( 1057 PWs) bands (ev): -14.9238 -14.9238 -14.8979 -14.8979 -1.6475 -1.6475 -1.6089 -1.6089 -1.0108 -1.0108 -0.9627 -0.9627 1.0198 1.0198 1.1274 1.1274 12.1536 12.1536 12.1688 12.1688 15.8611 15.8611 16.0759 16.0759 17.0753 17.0753 k =-0.0495 0.1308 1.3726 ( 1057 PWs) bands (ev): -14.9376 -14.9376 -14.8990 -14.8990 -1.6474 -1.6474 -1.5983 -1.5983 -0.9986 -0.9986 -0.9464 -0.9464 0.9898 0.9898 1.1491 1.1491 12.1869 12.1869 12.2082 12.2082 15.7625 15.7625 16.0882 16.0882 17.1271 17.1271 k =-0.0541 0.1428 1.3597 ( 1055 PWs) bands (ev): -14.9524 -14.9524 -14.9012 -14.9012 -1.6491 -1.6491 -1.5863 -1.5863 -0.9832 -0.9832 -0.9269 -0.9269 0.9598 0.9598 1.1700 1.1700 12.2261 12.2261 12.2525 12.2525 15.6656 15.6656 16.1043 16.1043 17.1832 17.1832 k =-0.0586 0.1548 1.3469 ( 1061 PWs) bands (ev): -14.9681 -14.9681 -14.9046 -14.9046 -1.6529 -1.6529 -1.5736 -1.5736 -0.9646 -0.9646 -0.9037 -0.9037 0.9298 0.9298 1.1899 1.1899 12.2713 12.2713 12.3015 12.3015 15.5709 15.5709 16.1243 16.1243 17.2432 17.2432 k =-0.0632 0.1668 1.3340 ( 1063 PWs) bands (ev): -14.9848 -14.9848 -14.9090 -14.9090 -1.6589 -1.6589 -1.5607 -1.5607 -0.9426 -0.9426 -0.8763 -0.8763 0.9000 0.9000 1.2089 1.2089 12.3222 12.3222 12.3548 12.3548 15.4787 15.4787 16.1483 16.1483 17.3069 17.3069 k =-0.0677 0.1788 1.3212 ( 1065 PWs) bands (ev): -15.0022 -15.0022 -14.9145 -14.9145 -1.6673 -1.6673 -1.5481 -1.5481 -0.9170 -0.9170 -0.8443 -0.8443 0.8707 0.8707 1.2269 1.2269 12.3790 12.3790 12.4119 12.4119 15.3895 15.3895 16.1764 16.1764 17.3741 17.3741 k =-0.0723 0.1908 1.3084 ( 1068 PWs) bands (ev): -15.0205 -15.0205 -14.9210 -14.9210 -1.6780 -1.6780 -1.5365 -1.5365 -0.8878 -0.8878 -0.8077 -0.8077 0.8420 0.8420 1.2440 1.2440 12.4413 12.4413 12.4726 12.4726 15.3038 15.3038 16.2084 16.2084 17.4445 17.4445 k =-0.0768 0.2028 1.2955 ( 1068 PWs) bands (ev): -15.0394 -15.0394 -14.9284 -14.9284 -1.6909 -1.6909 -1.5263 -1.5263 -0.8546 -0.8546 -0.7665 -0.7665 0.8142 0.8142 1.2602 1.2602 12.5092 12.5092 12.5363 12.5363 15.2222 15.2222 16.2442 16.2442 17.5178 17.5178 k =-0.0814 0.2148 1.2827 ( 1066 PWs) bands (ev): -15.0590 -15.0590 -14.9367 -14.9367 -1.7059 -1.7059 -1.5179 -1.5179 -0.8173 -0.8173 -0.7210 -0.7210 0.7875 0.7875 1.2755 1.2755 12.5823 12.5823 12.6025 12.6025 15.1452 15.1452 16.2838 16.2838 17.5937 17.5937 k =-0.0859 0.2268 1.2698 ( 1064 PWs) bands (ev): -15.0792 -15.0792 -14.9459 -14.9459 -1.7228 -1.7228 -1.5116 -1.5116 -0.7757 -0.7757 -0.6716 -0.6716 0.7623 0.7623 1.2899 1.2899 12.6597 12.6597 12.6712 12.6712 15.0737 15.0737 16.3268 16.3268 17.6721 17.6721 k =-0.0905 0.2388 1.2570 ( 1062 PWs) bands (ev): -15.1000 -15.1000 -14.9559 -14.9559 -1.7414 -1.7414 -1.5075 -1.5075 -0.7298 -0.7298 -0.6188 -0.6188 0.7389 0.7389 1.3036 1.3036 12.7346 12.7346 12.7482 12.7482 15.0084 15.0084 16.3731 16.3731 17.7524 17.7524 k =-0.0950 0.2508 1.2442 ( 1066 PWs) bands (ev): -15.1213 -15.1213 -14.9667 -14.9667 -1.7616 -1.7616 -1.5057 -1.5057 -0.6800 -0.6800 -0.5631 -0.5631 0.7179 0.7179 1.3165 1.3165 12.8032 12.8032 12.8359 12.8359 14.9505 14.9505 16.4224 16.4224 17.8344 17.8344 k =-0.0996 0.2628 1.2313 ( 1070 PWs) bands (ev): -15.1429 -15.1429 -14.9782 -14.9782 -1.7831 -1.7831 -1.5063 -1.5063 -0.6265 -0.6265 -0.5051 -0.5051 0.6997 0.6997 1.3287 1.3287 12.8690 12.8690 12.9294 12.9294 14.9011 14.9011 16.4743 16.4743 17.9177 17.9177 k =-0.1041 0.2748 1.2185 ( 1072 PWs) bands (ev): -15.1649 -15.1649 -14.9903 -14.9903 -1.8057 -1.8057 -1.5089 -1.5089 -0.5702 -0.5702 -0.4451 -0.4451 0.6852 0.6852 1.3404 1.3404 12.9314 12.9314 13.0277 13.0277 14.8618 14.8618 16.5287 16.5287 18.0020 18.0020 k =-0.1087 0.2869 1.2056 ( 1072 PWs) bands (ev): -15.1871 -15.1871 -15.0029 -15.0029 -1.8293 -1.8293 -1.5136 -1.5136 -0.5119 -0.5119 -0.3836 -0.3836 0.6750 0.6750 1.3515 1.3515 12.9886 12.9886 13.1305 13.1305 14.8340 14.8340 16.5849 16.5849 18.0868 18.0868 k =-0.1132 0.2989 1.1928 ( 1074 PWs) bands (ev): -15.2096 -15.2096 -15.0161 -15.0161 -1.8536 -1.8536 -1.5200 -1.5200 -0.4531 -0.4531 -0.3207 -0.3207 0.6702 0.6702 1.3624 1.3624 13.0391 13.0391 13.2376 13.2376 14.8193 14.8193 16.6428 16.6428 18.1716 18.1716 k =-0.1178 0.3109 1.1800 ( 1072 PWs) bands (ev): -15.2322 -15.2322 -15.0297 -15.0297 -1.8786 -1.8786 -1.5280 -1.5280 -0.3957 -0.3957 -0.2561 -0.2561 0.6718 0.6718 1.3730 1.3730 13.0812 13.0812 13.3486 13.3486 14.8194 14.8194 16.7018 16.7018 18.2559 18.2559 k =-0.1223 0.3229 1.1671 ( 1072 PWs) bands (ev): -15.2549 -15.2549 -15.0437 -15.0437 -1.9041 -1.9041 -1.5375 -1.5375 -0.3423 -0.3423 -0.1890 -0.1890 0.6810 0.6810 1.3836 1.3836 13.1136 13.1136 13.4633 13.4633 14.8352 14.8352 16.7615 16.7615 18.3394 18.3394 k =-0.1269 0.3349 1.1543 ( 1074 PWs) bands (ev): -15.2776 -15.2776 -15.0581 -15.0581 -1.9299 -1.9299 -1.5482 -1.5482 -0.2952 -0.2952 -0.1188 -0.1188 0.6985 0.6985 1.3944 1.3944 13.1355 13.1355 13.5813 13.5813 14.8676 14.8676 16.8215 16.8215 18.4216 18.4216 k =-0.1314 0.3469 1.1414 ( 1072 PWs) bands (ev): -15.3003 -15.3003 -15.0726 -15.0726 -1.9559 -1.9559 -1.5599 -1.5599 -0.2562 -0.2562 -0.0450 -0.0450 0.7251 0.7251 1.4057 1.4057 13.1467 13.1467 13.7024 13.7024 14.9163 14.9163 16.8815 16.8815 18.5018 18.5018 k =-0.1360 0.3589 1.1286 ( 1072 PWs) bands (ev): -15.3228 -15.3228 -15.0874 -15.0874 -1.9821 -1.9821 -1.5725 -1.5725 -0.2259 -0.2259 0.0321 0.0321 0.7609 0.7609 1.4178 1.4178 13.1478 13.1478 13.8260 13.8260 14.9807 14.9807 16.9410 16.9410 18.5797 18.5797 k =-0.1405 0.3709 1.1157 ( 1070 PWs) bands (ev): -15.3452 -15.3452 -15.1023 -15.1023 -2.0082 -2.0082 -1.5858 -1.5858 -0.2043 -0.2043 0.1118 0.1118 0.8056 0.8056 1.4311 1.4311 13.1399 13.1399 13.9519 13.9519 15.0595 15.0595 16.9998 16.9998 18.6547 18.6547 k =-0.1451 0.3829 1.1029 ( 1068 PWs) bands (ev): -15.3674 -15.3674 -15.1173 -15.1173 -2.0342 -2.0342 -1.5997 -1.5997 -0.1906 -0.1906 0.1934 0.1934 0.8579 0.8579 1.4460 1.4460 13.1242 13.1242 14.0794 14.0794 15.1511 15.1511 17.0577 17.0577 18.7264 18.7264 k =-0.1496 0.3949 1.0901 ( 1068 PWs) bands (ev): -15.3892 -15.3892 -15.1323 -15.1323 -2.0599 -2.0599 -1.6140 -1.6140 -0.1837 -0.1837 0.2760 0.2760 0.9167 0.9167 1.4633 1.4633 13.1022 13.1022 14.2080 14.2080 15.2538 15.2538 17.1145 17.1145 18.7943 18.7943 k =-0.1542 0.4069 1.0772 ( 1068 PWs) bands (ev): -15.4108 -15.4108 -15.1473 -15.1473 -2.0854 -2.0854 -1.6287 -1.6287 -0.1824 -0.1824 0.3587 0.3587 0.9802 0.9802 1.4838 1.4838 13.0753 13.0753 14.3372 14.3372 15.3660 15.3660 17.1702 17.1702 18.8579 18.8579 k =-0.1587 0.4189 1.0644 ( 1062 PWs) bands (ev): -15.4319 -15.4319 -15.1621 -15.1621 -2.1105 -2.1105 -1.6435 -1.6435 -0.1856 -0.1856 0.4406 0.4406 1.0467 1.0467 1.5084 1.5084 13.0446 13.0446 14.4663 14.4663 15.4858 15.4858 17.2246 17.2246 18.9169 18.9169 k =-0.1633 0.4310 1.0515 ( 1059 PWs) bands (ev): -15.4525 -15.4525 -15.1768 -15.1768 -2.1351 -2.1351 -1.6584 -1.6584 -0.1923 -0.1923 0.5206 0.5206 1.1145 1.1145 1.5384 1.5384 13.0112 13.0112 14.5945 14.5945 15.6120 15.6120 17.2775 17.2775 18.9706 18.9706 k =-0.1678 0.4430 1.0387 ( 1055 PWs) bands (ev): -15.4727 -15.4727 -15.1912 -15.1912 -2.1591 -2.1591 -1.6734 -1.6734 -0.2016 -0.2016 0.5976 0.5976 1.1821 1.1821 1.5749 1.5749 12.9760 12.9760 14.7211 14.7211 15.7430 15.7430 17.3285 17.3285 19.0181 19.0181 k =-0.1724 0.4550 1.0259 ( 1055 PWs) bands (ev): -15.4923 -15.4923 -15.2055 -15.2055 -2.1826 -2.1826 -1.6882 -1.6882 -0.2129 -0.2129 0.6705 0.6705 1.2484 1.2484 1.6189 1.6189 12.9398 12.9398 14.8451 14.8451 15.8774 15.8774 17.3768 17.3768 19.0563 19.0563 k =-0.1769 0.4670 1.0130 ( 1055 PWs) bands (ev): -15.5113 -15.5113 -15.2194 -15.2194 -2.2053 -2.2053 -1.7029 -1.7029 -0.2255 -0.2255 0.7380 0.7380 1.3129 1.3129 1.6707 1.6707 12.9031 12.9031 14.9657 14.9657 16.0140 16.0140 17.4205 17.4205 19.0082 19.0082 k =-0.1815 0.4790 1.0002 ( 1055 PWs) bands (ev): -15.5296 -15.5296 -15.2329 -15.2329 -2.2273 -2.2273 -1.7173 -1.7173 -0.2391 -0.2391 0.7991 0.7991 1.3760 1.3760 1.7299 1.7299 12.8664 12.8664 15.0819 15.0819 16.1513 16.1513 17.4566 17.4566 18.8555 18.8555 k =-0.1860 0.4910 0.9873 ( 1053 PWs) bands (ev): -15.5473 -15.5473 -15.2460 -15.2460 -2.2485 -2.2485 -1.7314 -1.7314 -0.2532 -0.2532 0.8531 0.8531 1.4386 1.4386 1.7953 1.7953 12.8301 12.8301 15.1929 15.1929 16.2878 16.2878 17.4799 17.4799 18.7212 18.7212 k =-0.1906 0.5030 0.9745 ( 1055 PWs) bands (ev): -15.5643 -15.5643 -15.2587 -15.2587 -2.2689 -2.2689 -1.7451 -1.7451 -0.2675 -0.2675 0.8994 0.8994 1.5017 1.5017 1.8652 1.8652 12.7945 12.7945 15.2977 15.2977 16.4220 16.4220 17.4830 17.4830 18.6190 18.6190 k =-0.1951 0.5150 0.9617 ( 1053 PWs) bands (ev): -15.5804 -15.5804 -15.2709 -15.2709 -2.2883 -2.2883 -1.7584 -1.7584 -0.2819 -0.2819 0.9384 0.9384 1.5658 1.5658 1.9382 1.9382 12.7600 12.7600 15.3957 15.3957 16.5518 16.5518 17.4588 17.4588 18.5584 18.5584 k =-0.1997 0.5270 0.9488 ( 1061 PWs) bands (ev): -15.5959 -15.5959 -15.2825 -15.2825 -2.3069 -2.3069 -1.7711 -1.7711 -0.2960 -0.2960 0.9705 0.9705 1.6311 1.6311 2.0123 2.0123 12.7267 12.7267 15.4862 15.4862 16.6751 16.6751 17.4044 17.4044 18.5438 18.5438 k =-0.2042 0.5390 0.9360 ( 1059 PWs) bands (ev): -15.6104 -15.6104 -15.2936 -15.2936 -2.3244 -2.3244 -1.7832 -1.7832 -0.3098 -0.3098 0.9967 0.9967 1.6969 1.6969 2.0865 2.0865 12.6948 12.6948 15.5689 15.5689 16.7895 16.7895 17.3238 17.3238 18.5719 18.5719 k =-0.2088 0.5510 0.9231 ( 1061 PWs) bands (ev): -15.6241 -15.6241 -15.3041 -15.3041 -2.3409 -2.3409 -1.7947 -1.7947 -0.3230 -0.3230 1.0178 1.0178 1.7627 1.7627 2.1594 2.1594 12.6646 12.6646 15.6435 15.6435 16.8921 16.8921 17.2254 17.2254 18.6342 18.6342 k =-0.2133 0.5630 0.9103 ( 1061 PWs) bands (ev): -15.6369 -15.6369 -15.3139 -15.3139 -2.3562 -2.3562 -1.8056 -1.8056 -0.3356 -0.3356 1.0347 1.0347 1.8274 1.8274 2.2303 2.2303 12.6361 12.6361 15.7099 15.7099 16.9800 16.9800 17.1179 17.1179 18.6628 18.6628 k =-0.2179 0.5750 0.8975 ( 1061 PWs) bands (ev): -15.6487 -15.6487 -15.3230 -15.3230 -2.3705 -2.3705 -1.8157 -1.8157 -0.3475 -0.3475 1.0481 1.0481 1.8904 1.8904 2.2983 2.2983 12.6094 12.6094 15.7685 15.7685 17.0071 17.0071 17.0511 17.0511 18.5917 18.5917 k =-0.2224 0.5871 0.8846 ( 1061 PWs) bands (ev): -15.6597 -15.6597 -15.3314 -15.3314 -2.3837 -2.3837 -1.8250 -1.8250 -0.3585 -0.3585 1.0589 1.0589 1.9506 1.9506 2.3626 2.3626 12.5847 12.5847 15.8193 15.8193 16.8995 16.8995 17.1018 17.1018 18.5347 18.5347 k =-0.2270 0.5991 0.8718 ( 1057 PWs) bands (ev): -15.6696 -15.6696 -15.3391 -15.3391 -2.3956 -2.3956 -1.8336 -1.8336 -0.3687 -0.3687 1.0675 1.0675 2.0074 2.0074 2.4227 2.4227 12.5621 12.5621 15.8629 15.8629 16.7970 16.7970 17.1332 17.1332 18.4954 18.4954 k =-0.2315 0.6111 0.8589 ( 1057 PWs) bands (ev): -15.6785 -15.6785 -15.3461 -15.3461 -2.4064 -2.4064 -1.8414 -1.8414 -0.3780 -0.3780 1.0743 1.0743 2.0600 2.0600 2.4780 2.4780 12.5417 12.5417 15.8996 15.8996 16.7020 16.7020 17.1464 17.1464 18.4727 18.4727 k =-0.2361 0.6231 0.8461 ( 1057 PWs) bands (ev): -15.6865 -15.6865 -15.3523 -15.3523 -2.4159 -2.4159 -1.8483 -1.8483 -0.3863 -0.3863 1.0797 1.0797 2.1079 2.1079 2.5280 2.5280 12.5235 12.5235 15.9299 15.9299 16.6162 16.6162 17.1449 17.1449 18.4635 18.4635 k =-0.2406 0.6351 0.8332 ( 1057 PWs) bands (ev): -15.6934 -15.6934 -15.3577 -15.3577 -2.4243 -2.4243 -1.8543 -1.8543 -0.3935 -0.3935 1.0839 1.0839 2.1505 2.1505 2.5722 2.5722 12.5075 12.5075 15.9541 15.9541 16.5409 16.5409 17.1332 17.1332 18.4638 18.4638 k =-0.2452 0.6471 0.8204 ( 1057 PWs) bands (ev): -15.6993 -15.6993 -15.3623 -15.3623 -2.4313 -2.4313 -1.8594 -1.8594 -0.3997 -0.3997 1.0871 1.0871 2.1873 2.1873 2.6103 2.6103 12.4939 12.4939 15.9728 15.9728 16.4769 16.4769 17.1158 17.1158 18.4698 18.4698 k =-0.2497 0.6591 0.8076 ( 1057 PWs) bands (ev): -15.7041 -15.7041 -15.3661 -15.3661 -2.4372 -2.4372 -1.8637 -1.8637 -0.4048 -0.4048 1.0896 1.0896 2.2180 2.2180 2.6420 2.6420 12.4827 12.4827 15.9864 15.9864 16.4248 16.4248 17.0965 17.0965 18.4781 18.4781 k =-0.2543 0.6711 0.7947 ( 1059 PWs) bands (ev): -15.7079 -15.7079 -15.3690 -15.3690 -2.4417 -2.4417 -1.8670 -1.8670 -0.4088 -0.4088 1.0914 1.0914 2.2422 2.2422 2.6669 2.6669 12.4740 12.4740 15.9956 15.9956 16.3848 16.3848 17.0786 17.0786 18.4865 18.4865 k =-0.2588 0.6831 0.7819 ( 1061 PWs) bands (ev): -15.7106 -15.7106 -15.3712 -15.3712 -2.4449 -2.4449 -1.8694 -1.8694 -0.4117 -0.4117 1.0926 1.0926 2.2596 2.2596 2.6848 2.6848 12.4677 12.4677 16.0012 16.0012 16.3568 16.3568 17.0643 17.0643 18.4934 18.4934 k =-0.2634 0.6951 0.7690 ( 1061 PWs) bands (ev): -15.7122 -15.7122 -15.3724 -15.3724 -2.4469 -2.4469 -1.8708 -1.8708 -0.4134 -0.4134 1.0933 1.0933 2.2702 2.2702 2.6956 2.6956 12.4639 12.4639 16.0041 16.0041 16.3403 16.3403 17.0551 17.0551 18.4979 18.4979 k =-0.2679 0.7071 0.7562 ( 1057 PWs) bands (ev): -15.7127 -15.7127 -15.3728 -15.3728 -2.4475 -2.4475 -1.8713 -1.8713 -0.4139 -0.4139 1.0936 1.0936 2.2738 2.2738 2.6993 2.6993 12.4627 12.4627 16.0049 16.0049 16.3349 16.3349 17.0520 17.0520 18.4995 18.4995 k =-0.2679 0.7071 0.7562 ( 1057 PWs) bands (ev): -15.7127 -15.7127 -15.3728 -15.3728 -2.4475 -2.4475 -1.8713 -1.8713 -0.4139 -0.4139 1.0936 1.0936 2.2738 2.2738 2.6993 2.6993 12.4627 12.4627 16.0049 16.0049 16.3349 16.3349 17.0520 17.0520 18.4995 18.4995 k =-0.2634 0.6951 0.7434 ( 1057 PWs) bands (ev): -15.7150 -15.7150 -15.3612 -15.3612 -2.4595 -2.4595 -1.8918 -1.8918 -0.4409 -0.4409 1.1276 1.1276 2.2803 2.2803 2.6991 2.6991 12.4756 12.4756 16.0205 16.0205 16.3558 16.3558 16.9632 16.9632 18.5055 18.5055 k =-0.2589 0.6832 0.7306 ( 1057 PWs) bands (ev): -15.7185 -15.7185 -15.3506 -15.3506 -2.4667 -2.4667 -1.9078 -1.9078 -0.4686 -0.4686 1.1612 1.1612 2.2861 2.2861 2.6982 2.6982 12.4944 12.4944 16.0309 16.0309 16.3810 16.3810 16.8697 16.8697 18.5086 18.5086 k =-0.2543 0.6712 0.7177 ( 1053 PWs) bands (ev): -15.7233 -15.7233 -15.3413 -15.3413 -2.4693 -2.4693 -1.9193 -1.9193 -0.4971 -0.4971 1.1943 1.1943 2.2912 2.2912 2.6967 2.6967 12.5191 12.5191 16.0379 16.0379 16.4085 16.4085 16.7726 16.7726 18.5082 18.5082 k =-0.2498 0.6592 0.7049 ( 1051 PWs) bands (ev): -15.7295 -15.7295 -15.3332 -15.3332 -2.4670 -2.4670 -1.9262 -1.9262 -0.5263 -0.5263 1.2266 1.2266 2.2954 2.2954 2.6945 2.6945 12.5496 12.5496 16.0431 16.0431 16.4365 16.4365 16.6726 16.6726 18.5036 18.5036 k =-0.2452 0.6472 0.6921 ( 1051 PWs) bands (ev): -15.7369 -15.7369 -15.3263 -15.3263 -2.4602 -2.4602 -1.9284 -1.9284 -0.5562 -0.5562 1.2582 1.2582 2.2988 2.2988 2.6916 2.6916 12.5858 12.5858 16.0475 16.0475 16.4634 16.4634 16.5707 16.5707 18.4945 18.4945 k =-0.2407 0.6352 0.6793 ( 1051 PWs) bands (ev): -15.7456 -15.7456 -15.3206 -15.3206 -2.4488 -2.4488 -1.9261 -1.9261 -0.5864 -0.5864 1.2891 1.2891 2.3014 2.3014 2.6881 2.6881 12.6277 12.6277 16.0519 16.0519 16.4616 16.4616 16.4946 16.4946 18.4806 18.4806 k =-0.2362 0.6232 0.6665 ( 1049 PWs) bands (ev): -15.7555 -15.7555 -15.3162 -15.3162 -2.4329 -2.4329 -1.9191 -1.9191 -0.6169 -0.6169 1.3191 1.3191 2.3032 2.3032 2.6839 2.6839 12.6752 12.6752 16.0564 16.0564 16.3598 16.3598 16.5157 16.5157 18.4617 18.4617 k =-0.2316 0.6113 0.6537 ( 1045 PWs) bands (ev): -15.7667 -15.7667 -15.3130 -15.3130 -2.4126 -2.4126 -1.9074 -1.9074 -0.6475 -0.6475 1.3481 1.3481 2.3041 2.3041 2.6792 2.6792 12.7282 12.7282 16.0605 16.0605 16.2553 16.2553 16.5377 16.5377 18.4380 18.4380 k =-0.2271 0.5993 0.6408 ( 1045 PWs) bands (ev): -15.7790 -15.7790 -15.3111 -15.3111 -2.3882 -2.3882 -1.8912 -1.8912 -0.6780 -0.6780 1.3762 1.3762 2.3043 2.3043 2.6738 2.6738 12.7866 12.7866 16.0601 16.0601 16.1550 16.1550 16.5580 16.5580 18.4095 18.4095 k =-0.2225 0.5873 0.6280 ( 1041 PWs) bands (ev): -15.7925 -15.7925 -15.3103 -15.3103 -2.3599 -2.3599 -1.8704 -1.8704 -0.7080 -0.7080 1.4033 1.4033 2.3037 2.3037 2.6679 2.6679 12.8503 12.8503 16.0182 16.0182 16.0963 16.0963 16.5770 16.5770 18.3764 18.3764 k =-0.2180 0.5753 0.6152 ( 1045 PWs) bands (ev): -15.8072 -15.8072 -15.3108 -15.3108 -2.3279 -2.3279 -1.8452 -1.8452 -0.7374 -0.7374 1.4294 1.4294 2.3024 2.3024 2.6614 2.6614 12.9190 12.9190 15.9211 15.9211 16.0926 16.0926 16.5951 16.5951 18.3390 18.3390 k =-0.2134 0.5633 0.6024 ( 1049 PWs) bands (ev): -15.8229 -15.8229 -15.3125 -15.3125 -2.2927 -2.2927 -1.8156 -1.8156 -0.7656 -0.7656 1.4542 1.4542 2.3002 2.3002 2.6544 2.6544 12.9928 12.9928 15.8163 15.8163 16.0960 16.0960 16.6131 16.6131 18.2975 18.2975 k =-0.2089 0.5513 0.5896 ( 1049 PWs) bands (ev): -15.8396 -15.8396 -15.3153 -15.3153 -2.2545 -2.2545 -1.7817 -1.7817 -0.7923 -0.7923 1.4780 1.4780 2.2974 2.2974 2.6469 2.6469 13.0713 13.0713 15.7105 15.7105 16.0993 16.0993 16.6320 16.6320 18.2525 18.2525 k =-0.2044 0.5393 0.5768 ( 1053 PWs) bands (ev): -15.8572 -15.8572 -15.3193 -15.3193 -2.2139 -2.2139 -1.7435 -1.7435 -0.8170 -0.8170 1.5007 1.5007 2.2938 2.2938 2.6389 2.6389 13.1544 13.1544 15.6051 15.6051 16.1006 16.1006 16.6529 16.6529 18.2043 18.2043 k =-0.1998 0.5274 0.5639 ( 1053 PWs) bands (ev): -15.8758 -15.8758 -15.3243 -15.3243 -2.1716 -2.1716 -1.7012 -1.7012 -0.8389 -0.8389 1.5223 1.5223 2.2896 2.2896 2.6305 2.6305 13.2419 13.2419 15.5004 15.5004 16.0989 16.0989 16.6767 16.6767 18.1532 18.1532 k =-0.1953 0.5154 0.5511 ( 1053 PWs) bands (ev): -15.8952 -15.8952 -15.3304 -15.3304 -2.1284 -2.1284 -1.6548 -1.6548 -0.8573 -0.8573 1.5426 1.5426 2.2848 2.2848 2.6217 2.6217 13.3335 13.3335 15.3968 15.3968 16.0933 16.0933 16.7045 16.7045 18.0995 18.0995 k =-0.1907 0.5034 0.5383 ( 1053 PWs) bands (ev): -15.9154 -15.9154 -15.3374 -15.3374 -2.0852 -2.0852 -1.6045 -1.6045 -0.8713 -0.8713 1.5618 1.5618 2.2793 2.2793 2.6125 2.6125 13.4289 13.4289 15.2947 15.2947 16.0832 16.0832 16.7368 16.7368 18.0436 18.0436 k =-0.1862 0.4914 0.5255 ( 1055 PWs) bands (ev): -15.9363 -15.9363 -15.3455 -15.3455 -2.0432 -2.0432 -1.5503 -1.5503 -0.8798 -0.8798 1.5799 1.5799 2.2732 2.2732 2.6030 2.6030 13.5275 13.5275 15.1945 15.1945 16.0686 16.0686 16.7740 16.7740 17.9860 17.9860 k =-0.1817 0.4794 0.5127 ( 1045 PWs) bands (ev): -15.9578 -15.9578 -15.3543 -15.3543 -2.0037 -2.0037 -1.4921 -1.4921 -0.8816 -0.8816 1.5969 1.5969 2.2666 2.2666 2.5932 2.5932 13.6290 13.6290 15.0967 15.0967 16.0493 16.0493 16.8164 16.8164 17.9267 17.9267 k =-0.1771 0.4674 0.4999 ( 1041 PWs) bands (ev): -15.9799 -15.9799 -15.3641 -15.3641 -1.9681 -1.9681 -1.4300 -1.4300 -0.8757 -0.8757 1.6126 1.6126 2.2595 2.2595 2.5831 2.5831 13.7321 13.7321 15.0022 15.0022 16.0256 16.0256 16.8637 16.8637 17.8662 17.8662 k =-0.1726 0.4554 0.4870 ( 1045 PWs) bands (ev): -16.0025 -16.0025 -15.3746 -15.3746 -1.9378 -1.9378 -1.3639 -1.3639 -0.8609 -0.8609 1.6272 1.6272 2.2519 2.2519 2.5728 2.5728 13.8354 13.8354 14.9122 14.9122 15.9978 15.9978 16.9157 16.9157 17.8047 17.8047 k =-0.1680 0.4435 0.4742 ( 1041 PWs) bands (ev): -16.0256 -16.0256 -15.3858 -15.3858 -1.9138 -1.9138 -1.2937 -1.2937 -0.8365 -0.8365 1.6408 1.6408 2.2439 2.2439 2.5623 2.5623 13.9362 13.9362 14.8294 14.8294 15.9663 15.9663 16.9718 16.9718 17.7424 17.7424 k =-0.1635 0.4315 0.4614 ( 1041 PWs) bands (ev): -16.0490 -16.0490 -15.3978 -15.3978 -1.8969 -1.8969 -1.2194 -1.2194 -0.8022 -0.8022 1.6534 1.6534 2.2356 2.2356 2.5517 2.5517 14.0297 14.0297 14.7585 14.7585 15.9315 15.9315 17.0315 17.0315 17.6796 17.6796 k =-0.1590 0.4195 0.4486 ( 1041 PWs) bands (ev): -16.0727 -16.0727 -15.4103 -15.4103 -1.8873 -1.8873 -1.1409 -1.1409 -0.7579 -0.7579 1.6650 1.6650 2.2269 2.2269 2.5409 2.5409 14.1063 14.1063 14.7088 14.7088 15.8940 15.8940 17.0939 17.0939 17.6165 17.6165 k =-0.1544 0.4075 0.4358 ( 1041 PWs) bands (ev): -16.0966 -16.0966 -15.4234 -15.4234 -1.8845 -1.8845 -1.0584 -1.0584 -0.7043 -0.7043 1.6756 1.6756 2.2180 2.2180 2.5301 2.5301 14.1508 14.1508 14.6952 14.6952 15.8541 15.8541 17.1583 17.1583 17.5532 17.5532 k =-0.1499 0.3955 0.4230 ( 1041 PWs) bands (ev): -16.1206 -16.1206 -15.4369 -15.4369 -1.8881 -1.8881 -0.9720 -0.9720 -0.6422 -0.6422 1.6854 1.6854 2.2089 2.2089 2.5192 2.5192 14.1516 14.1516 14.7290 14.7290 15.8121 15.8121 17.2236 17.2236 17.4900 17.4900 k =-0.1453 0.3835 0.4101 ( 1041 PWs) bands (ev): -16.1448 -16.1448 -15.4509 -15.4509 -1.8970 -1.8970 -0.8821 -0.8821 -0.5726 -0.5726 1.6944 1.6944 2.1996 2.1996 2.5083 2.5083 14.1143 14.1143 14.8044 14.8044 15.7685 15.7685 17.2884 17.2884 17.4271 17.4271 k =-0.1408 0.3715 0.3973 ( 1033 PWs) bands (ev): -16.1689 -16.1689 -15.4651 -15.4651 -1.9104 -1.9104 -0.7888 -0.7888 -0.4962 -0.4962 1.7028 1.7028 2.1903 2.1903 2.4975 2.4975 14.0540 14.0540 14.9059 14.9059 15.7235 15.7235 17.3465 17.3465 17.3692 17.3692 k =-0.1362 0.3596 0.3845 ( 1041 PWs) bands (ev): -16.1931 -16.1931 -15.4797 -15.4797 -1.9274 -1.9274 -0.6927 -0.6927 -0.4143 -0.4143 1.7104 1.7104 2.1808 2.1808 2.4866 2.4866 13.9815 13.9815 15.0220 15.0220 15.6773 15.6773 17.3000 17.3000 17.4126 17.4126 k =-0.1317 0.3476 0.3717 ( 1041 PWs) bands (ev): -16.2170 -16.2170 -15.4945 -15.4945 -1.9473 -1.9473 -0.5942 -0.5942 -0.3276 -0.3276 1.7176 1.7176 2.1715 2.1715 2.4759 2.4759 13.9028 13.9028 15.1463 15.1463 15.6303 15.6303 17.2384 17.2384 17.4656 17.4656 k =-0.1272 0.3356 0.3589 ( 1041 PWs) bands (ev): -16.2408 -16.2408 -15.5095 -15.5095 -1.9693 -1.9693 -0.4936 -0.4936 -0.2369 -0.2369 1.7243 1.7243 2.1622 2.1622 2.4652 2.4652 13.8209 13.8209 15.2751 15.2751 15.5827 15.5827 17.1773 17.1773 17.5101 17.5101 k =-0.1226 0.3236 0.3461 ( 1043 PWs) bands (ev): -16.2644 -16.2644 -15.5245 -15.5245 -1.9928 -1.9928 -0.3915 -0.3915 -0.1428 -0.1428 1.7308 1.7308 2.1531 2.1531 2.4547 2.4547 13.7373 13.7373 15.4049 15.4049 15.5358 15.5358 17.1171 17.1171 17.5426 17.5426 k =-0.1181 0.3116 0.3332 ( 1043 PWs) bands (ev): -16.2876 -16.2876 -15.5395 -15.5395 -2.0175 -2.0175 -0.2882 -0.2882 -0.0460 -0.0460 1.7371 1.7371 2.1443 2.1443 2.4443 2.4443 13.6530 13.6530 15.4779 15.4779 15.5456 15.5456 17.0582 17.0582 17.5597 17.5597 k =-0.1135 0.2996 0.3204 ( 1035 PWs) bands (ev): -16.3104 -16.3104 -15.5545 -15.5545 -2.0428 -2.0428 -0.1841 -0.1841 0.0530 0.0530 1.7435 1.7435 2.1359 2.1359 2.4342 2.4342 13.5684 13.5684 15.4328 15.4328 15.6717 15.6717 17.0010 17.0010 17.5582 17.5582 k =-0.1090 0.2876 0.3076 ( 1033 PWs) bands (ev): -16.3328 -16.3328 -15.5694 -15.5694 -2.0686 -2.0686 -0.0799 -0.0799 0.1536 0.1536 1.7500 1.7500 2.1278 2.1278 2.4242 2.4242 13.4839 13.4839 15.3836 15.3836 15.7980 15.7980 16.9465 16.9465 17.5356 17.5356 k =-0.1045 0.2757 0.2948 ( 1037 PWs) bands (ev): -16.3548 -16.3548 -15.5842 -15.5842 -2.0945 -2.0945 0.0239 0.0239 0.2551 0.2551 1.7569 1.7569 2.1203 2.1203 2.4144 2.4144 13.3996 13.3996 15.3337 15.3337 15.9184 15.9184 16.8960 16.8960 17.4909 17.4909 k =-0.0999 0.2637 0.2820 ( 1041 PWs) bands (ev): -16.3762 -16.3762 -15.5987 -15.5987 -2.1203 -2.1203 0.1269 0.1269 0.3572 0.3572 1.7643 1.7643 2.1133 2.1133 2.4049 2.4049 13.3158 13.3158 15.2833 15.2833 16.0287 16.0287 16.8518 16.8518 17.4249 17.4249 k =-0.0954 0.2517 0.2692 ( 1045 PWs) bands (ev): -16.3970 -16.3970 -15.6131 -15.6131 -2.1458 -2.1458 0.2286 0.2286 0.4591 0.4591 1.7726 1.7726 2.1072 2.1072 2.3957 2.3957 13.2325 13.2325 15.2326 15.2326 16.1233 16.1233 16.8177 16.8177 17.3402 17.3402 k =-0.0908 0.2397 0.2563 ( 1051 PWs) bands (ev): -16.4172 -16.4172 -15.6271 -15.6271 -2.1708 -2.1708 0.3283 0.3283 0.5603 0.5603 1.7820 1.7820 2.1019 2.1019 2.3867 2.3867 13.1499 13.1499 15.1814 15.1814 16.1946 16.1946 16.7990 16.7990 17.2402 17.2402 k =-0.0863 0.2277 0.2435 ( 1051 PWs) bands (ev): -16.4367 -16.4367 -15.6407 -15.6407 -2.1952 -2.1952 0.4255 0.4255 0.6601 0.6601 1.7928 1.7928 2.0976 2.0976 2.3780 2.3780 13.0681 13.0681 15.1298 15.1298 16.2356 16.2356 16.8005 16.8005 17.1291 17.1291 k =-0.0817 0.2157 0.2307 ( 1051 PWs) bands (ev): -16.4554 -16.4554 -15.6539 -15.6539 -2.2189 -2.2189 0.5196 0.5196 0.7579 0.7579 1.8054 1.8054 2.0946 2.0946 2.3697 2.3697 12.9873 12.9873 15.0776 15.0776 16.2442 16.2442 16.8210 16.8210 17.0114 17.0114 k =-0.0772 0.2038 0.2179 ( 1051 PWs) bands (ev): -16.4734 -16.4734 -15.6666 -15.6666 -2.2417 -2.2417 0.6098 0.6098 0.8529 0.8529 1.8200 1.8200 2.0930 2.0930 2.3618 2.3618 12.9077 12.9077 15.0249 15.0249 16.2261 16.2261 16.8452 16.8452 16.8979 16.8979 k =-0.0727 0.1918 0.2051 ( 1057 PWs) bands (ev): -16.4905 -16.4905 -15.6789 -15.6789 -2.2637 -2.2637 0.6954 0.6954 0.9444 0.9444 1.8371 1.8371 2.0929 2.0929 2.3541 2.3541 12.8293 12.8293 14.9714 14.9714 16.1898 16.1898 16.7596 16.7596 16.8949 16.8949 k =-0.0681 0.1798 0.1923 ( 1061 PWs) bands (ev): -16.5068 -16.5068 -15.6907 -15.6907 -2.2846 -2.2846 0.7759 0.7759 1.0317 1.0317 1.8569 1.8569 2.0947 2.0947 2.3469 2.3469 12.7526 12.7526 14.9173 14.9173 16.1425 16.1425 16.6402 16.6402 16.9213 16.9213 k =-0.0636 0.1678 0.1794 ( 1061 PWs) bands (ev): -16.5222 -16.5222 -15.7018 -15.7018 -2.3045 -2.3045 0.8505 0.8505 1.1138 1.1138 1.8796 1.8796 2.0987 2.0987 2.3400 2.3400 12.6777 12.6777 14.8626 14.8626 16.0888 16.0888 16.5236 16.5236 16.9391 16.9391 k =-0.0590 0.1558 0.1666 ( 1063 PWs) bands (ev): -16.5367 -16.5367 -15.7123 -15.7123 -2.3232 -2.3232 0.9187 0.9187 1.1902 1.1902 1.9053 1.9053 2.1052 2.1052 2.3336 2.3336 12.6051 12.6051 14.8075 14.8075 16.0318 16.0318 16.4125 16.4125 16.9464 16.9464 k =-0.0545 0.1438 0.1538 ( 1063 PWs) bands (ev): -16.5503 -16.5503 -15.7222 -15.7222 -2.3406 -2.3406 0.9801 0.9801 1.2603 1.2603 1.9338 1.9338 2.1143 2.1143 2.3277 2.3277 12.5350 12.5350 14.7522 14.7522 15.9738 15.9738 16.3084 16.3084 16.9447 16.9447 k =-0.0500 0.1318 0.1410 ( 1063 PWs) bands (ev): -16.5628 -16.5628 -15.7314 -15.7314 -2.3569 -2.3569 1.0344 1.0344 1.3234 1.3234 1.9645 1.9645 2.1263 2.1263 2.3222 2.3222 12.4680 12.4680 14.6970 14.6970 15.9163 15.9163 16.2123 16.2123 16.9360 16.9360 k =-0.0454 0.1199 0.1282 ( 1063 PWs) bands (ev): -16.5744 -16.5744 -15.7399 -15.7399 -2.3719 -2.3719 1.0817 1.0817 1.3793 1.3793 1.9967 1.9967 2.1414 2.1414 2.3173 2.3173 12.4044 12.4044 14.6426 14.6426 15.8605 15.8605 16.1248 16.1248 16.9226 16.9226 k =-0.0409 0.1079 0.1154 ( 1063 PWs) bands (ev): -16.5849 -16.5849 -15.7477 -15.7477 -2.3855 -2.3855 1.1222 1.1222 1.4280 1.4280 2.0292 2.0292 2.1592 2.1592 2.3131 2.3131 12.3448 12.3448 14.5897 14.5897 15.8075 15.8075 16.0465 16.0465 16.9067 16.9067 k =-0.0363 0.0959 0.1025 ( 1063 PWs) bands (ev): -16.5944 -16.5944 -15.7547 -15.7547 -2.3979 -2.3979 1.1563 1.1563 1.4695 1.4695 2.0609 2.0609 2.1792 2.1792 2.3098 2.3098 12.2896 12.2896 14.5389 14.5389 15.7581 15.7581 15.9772 15.9772 16.8897 16.8897 k =-0.0318 0.0839 0.0897 ( 1065 PWs) bands (ev): -16.6028 -16.6028 -15.7610 -15.7610 -2.4088 -2.4088 1.1845 1.1845 1.5043 1.5043 2.0911 2.0911 2.2000 2.2000 2.3079 2.3079 12.2394 12.2394 14.4913 14.4913 15.7130 15.7130 15.9171 15.9171 16.8730 16.8730 k =-0.0272 0.0719 0.0769 ( 1061 PWs) bands (ev): -16.6101 -16.6101 -15.7664 -15.7664 -2.4183 -2.4183 1.2076 1.2076 1.5328 1.5328 2.1189 2.1189 2.2195 2.2195 2.3081 2.3081 12.1947 12.1947 14.4477 14.4477 15.6730 15.6730 15.8659 15.8659 16.8573 16.8573 k =-0.0227 0.0599 0.0641 ( 1059 PWs) bands (ev): -16.6163 -16.6163 -15.7710 -15.7710 -2.4264 -2.4264 1.2259 1.2259 1.5556 1.5556 2.1442 2.1442 2.2349 2.2349 2.3117 2.3117 12.1559 12.1559 14.4090 14.4090 15.6383 15.6383 15.8232 15.8232 16.8434 16.8434 k =-0.0182 0.0479 0.0513 ( 1059 PWs) bands (ev): -16.6214 -16.6214 -15.7748 -15.7748 -2.4330 -2.4330 1.2402 1.2402 1.5732 1.5732 2.1666 2.1666 2.2440 2.2440 2.3191 2.3191 12.1236 12.1236 14.3761 14.3761 15.6095 15.6095 15.7889 15.7889 16.8315 16.8315 k =-0.0136 0.0360 0.0385 ( 1061 PWs) bands (ev): -16.6254 -16.6254 -15.7778 -15.7778 -2.4382 -2.4382 1.2508 1.2508 1.5863 1.5863 2.1860 2.1860 2.2469 2.2469 2.3289 2.3289 12.0980 12.0980 14.3497 14.3497 15.5868 15.5868 15.7625 15.7625 16.8221 16.8221 k =-0.0091 0.0240 0.0256 ( 1061 PWs) bands (ev): -16.6282 -16.6282 -15.7800 -15.7800 -2.4419 -2.4419 1.2581 1.2581 1.5953 1.5953 2.2022 2.2022 2.2454 2.2454 2.3380 2.3380 12.0794 12.0794 14.3304 14.3304 15.5704 15.5704 15.7439 15.7439 16.8152 16.8152 k =-0.0045 0.0120 0.0128 ( 1061 PWs) bands (ev): -16.6299 -16.6299 -15.7812 -15.7812 -2.4441 -2.4441 1.2624 1.2624 1.6005 1.6005 2.2146 2.2146 2.2415 2.2415 2.3442 2.3442 12.0682 12.0682 14.3186 14.3186 15.5605 15.5605 15.7328 15.7328 16.8111 16.8111 k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): -16.6305 -16.6305 -15.7817 -15.7817 -2.4449 -2.4449 1.2638 1.2638 1.6023 1.6023 2.2202 2.2202 2.2386 2.2386 2.3464 2.3464 12.0644 12.0644 14.3147 14.3147 15.5571 15.5571 15.7292 15.7292 16.8097 16.8097 k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): -16.6305 -16.6305 -15.7817 -15.7817 -2.4449 -2.4449 1.2638 1.2638 1.6023 1.6023 2.2202 2.2202 2.2386 2.2386 2.3464 2.3464 12.0644 12.0644 14.3147 14.3147 15.5571 15.5571 15.7292 15.7292 16.8097 16.8097 k = 0.0167 0.0063-0.0000 ( 1071 PWs) bands (ev): -16.6301 -16.6301 -15.7823 -15.7823 -2.4425 -2.4425 1.2619 1.2619 1.6020 1.6020 2.2122 2.2122 2.2444 2.2444 2.3468 2.3468 12.0682 12.0682 14.3119 14.3119 15.5613 15.5613 15.7229 15.7229 16.8182 16.8182 k = 0.0333 0.0126-0.0000 ( 1071 PWs) bands (ev): -16.6285 -16.6285 -15.7843 -15.7843 -2.4355 -2.4355 1.2566 1.2566 1.6011 1.6011 2.1968 2.1968 2.2536 2.2536 2.3479 2.3479 12.0795 12.0795 14.3038 14.3038 15.5738 15.5738 15.7048 15.7048 16.8432 16.8432 k = 0.0500 0.0189-0.0000 ( 1063 PWs) bands (ev): -16.6259 -16.6259 -15.7876 -15.7876 -2.4238 -2.4238 1.2477 1.2477 1.5997 1.5997 2.1777 2.1777 2.2626 2.2626 2.3500 2.3500 12.0982 12.0982 14.2908 14.2908 15.5942 15.5942 15.6766 15.6766 16.8828 16.8828 k = 0.0667 0.0253-0.0000 ( 1063 PWs) bands (ev): -16.6223 -16.6223 -15.7922 -15.7922 -2.4075 -2.4075 1.2350 1.2350 1.5977 1.5977 2.1553 2.1553 2.2711 2.2711 2.3528 2.3528 12.1241 12.1241 14.2733 14.2733 15.6216 15.6216 15.6406 15.6406 16.9346 16.9346 k = 0.0833 0.0316-0.0000 ( 1063 PWs) bands (ev): -16.6177 -16.6177 -15.7981 -15.7981 -2.3866 -2.3866 1.2185 1.2185 1.5953 1.5953 2.1296 2.1296 2.2795 2.2795 2.3562 2.3562 12.1570 12.1570 14.2520 14.2520 15.5992 15.5992 15.6556 15.6556 16.9961 16.9961 k = 0.1000 0.0379-0.0000 ( 1063 PWs) bands (ev): -16.6121 -16.6121 -15.8053 -15.8053 -2.3612 -2.3612 1.1978 1.1978 1.5924 1.5924 2.1010 2.1010 2.2879 2.2879 2.3602 2.3602 12.1966 12.1966 14.2276 14.2276 15.5545 15.5545 15.6951 15.6951 17.0650 17.0650 k = 0.1167 0.0442-0.0000 ( 1059 PWs) bands (ev): -16.6055 -16.6055 -15.8137 -15.8137 -2.3312 -2.3312 1.1728 1.1728 1.5892 1.5892 2.0698 2.0698 2.2963 2.2963 2.3648 2.3648 12.2424 12.2424 14.2008 14.2008 15.5083 15.5083 15.7394 15.7394 17.1393 17.1393 k = 0.1333 0.0505-0.0000 ( 1059 PWs) bands (ev): -16.5979 -16.5979 -15.8233 -15.8233 -2.2967 -2.2967 1.1432 1.1432 1.5856 1.5856 2.0366 2.0366 2.3050 2.3050 2.3700 2.3700 12.2941 12.2941 14.1722 14.1722 15.4621 15.4621 15.7875 15.7875 17.2173 17.2173 k = 0.1500 0.0568-0.0000 ( 1059 PWs) bands (ev): -16.5894 -16.5894 -15.8341 -15.8341 -2.2579 -2.2579 1.1086 1.1086 1.5818 1.5818 2.0019 2.0019 2.3139 2.3139 2.3755 2.3755 12.3511 12.3511 14.1424 14.1424 15.4171 15.4171 15.8386 15.8386 17.2975 17.2975 k = 0.1667 0.0632-0.0000 ( 1059 PWs) bands (ev): -16.5799 -16.5799 -15.8460 -15.8460 -2.2148 -2.2148 1.0689 1.0689 1.5777 1.5777 1.9664 1.9664 2.3231 2.3231 2.3814 2.3814 12.4128 12.4128 14.1119 14.1119 15.3742 15.3742 15.8919 15.8919 17.3787 17.3787 k = 0.1833 0.0695-0.0000 ( 1059 PWs) bands (ev): -16.5695 -16.5695 -15.8590 -15.8590 -2.1674 -2.1674 1.0237 1.0237 1.5736 1.5736 1.9307 1.9307 2.3324 2.3324 2.3876 2.3876 12.4788 12.4788 14.0810 14.0810 15.3342 15.3342 15.9465 15.9465 17.4597 17.4597 k = 0.2000 0.0758-0.0000 ( 1055 PWs) bands (ev): -16.5581 -16.5581 -15.8730 -15.8730 -2.1159 -2.1159 0.9729 0.9729 1.5694 1.5694 1.8956 1.8956 2.3419 2.3419 2.3941 2.3941 12.5482 12.5482 14.0501 14.0501 15.2980 15.2980 16.0015 16.0015 17.5395 17.5395 k = 0.2167 0.0821-0.0000 ( 1051 PWs) bands (ev): -16.5459 -16.5459 -15.8880 -15.8880 -2.0603 -2.0603 0.9163 0.9163 1.5652 1.5652 1.8615 1.8615 2.3514 2.3514 2.4006 2.4006 12.6205 12.6205 14.0195 14.0195 15.2662 15.2662 16.0560 16.0560 17.6171 17.6171 k = 0.2333 0.0884-0.0000 ( 1051 PWs) bands (ev): -16.5328 -16.5328 -15.9039 -15.9039 -2.0008 -2.0008 0.8539 0.8539 1.5611 1.5611 1.8288 1.8288 2.3609 2.3609 2.4071 2.4071 12.6947 12.6947 13.9894 13.9894 15.2394 15.2394 16.1089 16.1089 17.6916 17.6916 k = 0.2500 0.0947-0.0000 ( 1051 PWs) bands (ev): -16.5189 -16.5189 -15.9206 -15.9206 -1.9375 -1.9375 0.7859 0.7859 1.5572 1.5572 1.7980 1.7980 2.3704 2.3704 2.4136 2.4136 12.7702 12.7702 13.9599 13.9599 15.2183 15.2183 16.1592 16.1592 17.7620 17.7620 k = 0.2667 0.1010-0.0000 ( 1047 PWs) bands (ev): -16.5041 -16.5041 -15.9382 -15.9382 -1.8704 -1.8704 0.7126 0.7126 1.5535 1.5535 1.7692 1.7692 2.3797 2.3797 2.4199 2.4199 12.8461 12.8461 13.9312 13.9312 15.2034 15.2034 16.2054 16.2054 17.8277 17.8277 k = 0.2833 0.1074-0.0000 ( 1047 PWs) bands (ev): -16.4886 -16.4886 -15.9565 -15.9565 -1.7998 -1.7998 0.6342 0.6342 1.5501 1.5501 1.7425 1.7425 2.3887 2.3887 2.4261 2.4261 12.9216 12.9216 13.9033 13.9033 15.1954 15.1954 16.2462 16.2462 17.8877 17.8877 k = 0.3000 0.1137-0.0000 ( 1047 PWs) bands (ev): -16.4723 -16.4723 -15.9755 -15.9755 -1.7258 -1.7258 0.5512 0.5512 1.5471 1.5471 1.7180 1.7180 2.3976 2.3976 2.4320 2.4320 12.9956 12.9956 13.8764 13.8764 15.1948 15.1948 16.2798 16.2798 17.9415 17.9415 k = 0.3167 0.1200-0.0000 ( 1047 PWs) bands (ev): -16.4553 -16.4553 -15.9952 -15.9952 -1.6484 -1.6484 0.4642 0.4642 1.5444 1.5444 1.6955 1.6955 2.4060 2.4060 2.4375 2.4375 13.0675 13.0675 13.8503 13.8503 15.2022 15.2022 16.3045 16.3045 17.9884 17.9884 k = 0.3333 0.1263-0.0000 ( 1047 PWs) bands (ev): -16.4377 -16.4377 -16.0154 -16.0154 -1.5679 -1.5679 0.3735 0.3735 1.5422 1.5422 1.6751 1.6751 2.4140 2.4140 2.4427 2.4427 13.1364 13.1364 13.8252 13.8252 15.2180 15.2180 16.3185 16.3185 18.0282 18.0282 k = 0.3500 0.1326-0.0000 ( 1047 PWs) bands (ev): -16.4194 -16.4194 -16.0361 -16.0361 -1.4845 -1.4845 0.2797 0.2797 1.5405 1.5405 1.6565 1.6565 2.4216 2.4216 2.4474 2.4474 13.2016 13.2016 13.8009 13.8009 15.2426 15.2426 16.3200 16.3200 18.0604 18.0604 k = 0.3667 0.1389-0.0000 ( 1059 PWs) bands (ev): -16.4005 -16.4005 -16.0572 -16.0572 -1.3982 -1.3982 0.1832 0.1832 1.5393 1.5393 1.6396 1.6396 2.4286 2.4286 2.4515 2.4515 13.2626 13.2626 13.7773 13.7773 15.2760 15.2760 16.3078 16.3078 18.0550 18.0550 k = 0.3833 0.1453-0.0000 ( 1055 PWs) bands (ev): -16.3811 -16.3811 -16.0786 -16.0786 -1.3093 -1.3093 0.0847 0.0847 1.5388 1.5388 1.6245 1.6245 2.4352 2.4352 2.4552 2.4552 13.3189 13.3189 13.7543 13.7543 15.3184 15.3184 16.2815 16.2815 18.0203 18.0203 k = 0.4000 0.1516-0.0000 ( 1055 PWs) bands (ev): -16.3611 -16.3611 -16.1004 -16.1004 -1.2180 -1.2180 -0.0156 -0.0156 1.5390 1.5390 1.6109 1.6109 2.4411 2.4411 2.4582 2.4582 13.3705 13.3705 13.7318 13.7318 15.3693 15.3693 16.2414 16.2414 17.9989 17.9989 k = 0.4167 0.1579-0.0000 ( 1055 PWs) bands (ev): -16.3407 -16.3407 -16.1223 -16.1223 -1.1244 -1.1244 -0.1171 -0.1171 1.5399 1.5399 1.5988 1.5988 2.4464 2.4464 2.4606 2.4606 13.4172 13.4172 13.7095 13.7095 15.4283 15.4283 16.1888 16.1888 17.9894 17.9894 k = 0.4333 0.1642-0.0000 ( 1056 PWs) bands (ev): -16.3198 -16.3198 -16.1445 -16.1445 -1.0287 -1.0287 -0.2196 -0.2196 1.5416 1.5416 1.5880 1.5880 2.4510 2.4510 2.4624 2.4624 13.4593 13.4593 13.6872 13.6872 15.4947 15.4947 16.1253 16.1253 17.9901 17.9901 k = 0.4500 0.1705-0.0000 ( 1056 PWs) bands (ev): -16.2986 -16.2986 -16.1667 -16.1667 -0.9313 -0.9313 -0.3224 -0.3224 1.5440 1.5440 1.5784 1.5784 2.4550 2.4550 2.4635 2.4635 13.4973 13.4973 13.6646 13.6646 15.5673 15.5673 16.0534 16.0534 17.9989 17.9989 k = 0.4667 0.1768-0.0000 ( 1064 PWs) bands (ev): -16.2771 -16.2771 -16.1890 -16.1890 -0.8323 -0.8323 -0.4254 -0.4254 1.5473 1.5473 1.5701 1.5701 2.4582 2.4582 2.4639 2.4639 13.5314 13.5314 13.6412 13.6412 15.6449 15.6449 15.9752 15.9752 18.0133 18.0133 k = 0.4833 0.1831-0.0000 ( 1064 PWs) bands (ev): -16.2553 -16.2553 -16.2112 -16.2112 -0.7320 -0.7320 -0.5282 -0.5282 1.5515 1.5515 1.5628 1.5628 2.4607 2.4607 2.4635 2.4635 13.5623 13.5623 13.6167 13.6167 15.7263 15.7263 15.8933 15.8933 18.0313 18.0313 k = 0.5000 0.1895-0.0000 ( 1064 PWs) bands (ev): -16.2333 -16.2333 -16.2333 -16.2333 -0.6305 -0.6305 -0.6305 -0.6305 1.5567 1.5567 1.5567 1.5567 2.4625 2.4625 2.4625 2.4625 13.5906 13.5906 13.5906 13.5906 15.8096 15.8096 15.8096 15.8096 18.0508 18.0508 k = 0.5000 0.1895-0.0000 ( 1064 PWs) bands (ev): -16.2333 -16.2333 -16.2333 -16.2333 -0.6305 -0.6305 -0.6305 -0.6305 1.5567 1.5567 1.5567 1.5567 2.4625 2.4625 2.4625 2.4625 13.5906 13.5906 13.5906 13.5906 15.8096 15.8096 15.8096 15.8096 18.0508 18.0508 k = 0.4954 0.2015 0.0128 ( 1064 PWs) bands (ev): -16.2329 -16.2329 -16.2328 -16.2328 -0.6307 -0.6307 -0.6298 -0.6298 1.5517 1.5517 1.5580 1.5580 2.4577 2.4577 2.4634 2.4634 13.5922 13.5922 13.5967 13.5967 15.8086 15.8086 15.8150 15.8150 18.0407 18.0407 k = 0.4909 0.2135 0.0257 ( 1062 PWs) bands (ev): -16.2315 -16.2315 -16.2311 -16.2311 -0.6307 -0.6307 -0.6282 -0.6282 1.5407 1.5407 1.5581 1.5581 2.4471 2.4471 2.4627 2.4627 13.5979 13.5979 13.6144 13.6144 15.8091 15.8091 15.8276 15.8276 18.0109 18.0109 k = 0.4863 0.2255 0.0385 ( 1050 PWs) bands (ev): -16.2292 -16.2292 -16.2282 -16.2282 -0.6305 -0.6305 -0.6258 -0.6258 1.5228 1.5228 1.5578 1.5578 2.4300 2.4300 2.4612 2.4612 13.6074 13.6074 13.6437 13.6437 15.8103 15.8103 15.8481 15.8481 17.9633 17.9633 k = 0.4818 0.2375 0.0514 ( 1050 PWs) bands (ev): -16.2260 -16.2260 -16.2243 -16.2243 -0.6304 -0.6304 -0.6224 -0.6224 1.4977 1.4977 1.5571 1.5571 2.4064 2.4064 2.4593 2.4593 13.6204 13.6204 13.6839 13.6839 15.8119 15.8119 15.8761 15.8761 17.9008 17.9008 k = 0.4772 0.2495 0.0642 ( 1050 PWs) bands (ev): -16.2219 -16.2219 -16.2193 -16.2193 -0.6303 -0.6303 -0.6182 -0.6182 1.4657 1.4657 1.5558 1.5558 2.3769 2.3769 2.4571 2.4571 13.6370 13.6370 13.7346 13.7346 15.8139 15.8139 15.9114 15.9114 17.8264 17.8264 k = 0.4727 0.2615 0.0770 ( 1050 PWs) bands (ev): -16.2170 -16.2170 -16.2131 -16.2131 -0.6302 -0.6302 -0.6131 -0.6131 1.4268 1.4268 1.5537 1.5537 2.3420 2.3420 2.4550 2.4550 13.6569 13.6569 13.7950 13.7950 15.8160 15.8160 15.9534 15.9534 17.7432 17.7432 k = 0.4681 0.2735 0.0899 ( 1050 PWs) bands (ev): -16.2111 -16.2111 -16.2059 -16.2059 -0.6303 -0.6303 -0.6073 -0.6073 1.3814 1.3814 1.5504 1.5504 2.3022 2.3022 2.4531 2.4531 13.6798 13.6798 13.8639 13.8639 15.8184 15.8184 16.0014 16.0014 17.6545 17.6545 k = 0.4636 0.2855 0.1027 ( 1050 PWs) bands (ev): -16.2044 -16.2044 -16.1976 -16.1976 -0.6306 -0.6306 -0.6007 -0.6007 1.3296 1.3296 1.5455 1.5455 2.2586 2.2586 2.4516 2.4516 13.7058 13.7058 13.9401 13.9401 15.8208 15.8208 16.0545 16.0545 17.5631 17.5631 k = 0.4590 0.2975 0.1156 ( 1046 PWs) bands (ev): -16.1969 -16.1969 -16.1882 -16.1882 -0.6313 -0.6313 -0.5935 -0.5935 1.2720 1.2720 1.5383 1.5383 2.2123 2.2123 2.4507 2.4507 13.7345 13.7345 14.0219 14.0219 15.8235 15.8235 16.1118 16.1118 17.4717 17.4717 k = 0.4545 0.3095 0.1284 ( 1046 PWs) bands (ev): -16.1886 -16.1886 -16.1778 -16.1778 -0.6325 -0.6325 -0.5857 -0.5857 1.2089 1.2089 1.5278 1.5278 2.1645 2.1645 2.4505 2.4505 13.7658 13.7658 14.1072 14.1072 15.8267 15.8267 16.1720 16.1720 17.3829 17.3829 k = 0.4499 0.3215 0.1413 ( 1046 PWs) bands (ev): -16.1795 -16.1795 -16.1664 -16.1664 -0.6343 -0.6343 -0.5776 -0.5776 1.1411 1.1411 1.5130 1.5130 2.1170 2.1170 2.4510 2.4510 13.7995 13.7995 14.1934 14.1934 15.8313 15.8313 16.2340 16.2340 17.2993 17.2993 k = 0.4454 0.3336 0.1541 ( 1044 PWs) bands (ev): -16.1696 -16.1696 -16.1540 -16.1540 -0.6369 -0.6369 -0.5692 -0.5692 1.0691 1.0691 1.4926 1.4926 2.0716 2.0716 2.4524 2.4524 13.8354 13.8354 14.2772 14.2772 15.8385 15.8385 16.2964 16.2964 17.2231 17.2231 k = 0.4408 0.3456 0.1669 ( 1040 PWs) bands (ev): -16.1590 -16.1590 -16.1406 -16.1406 -0.6406 -0.6406 -0.5608 -0.5608 0.9937 0.9937 1.4650 1.4650 2.0302 2.0302 2.4546 2.4546 13.8735 13.8735 14.3546 14.3546 15.8505 15.8505 16.3580 16.3580 17.1564 17.1564 k = 0.4363 0.3576 0.1798 ( 1032 PWs) bands (ev): -16.1476 -16.1476 -16.1263 -16.1263 -0.6457 -0.6457 -0.5525 -0.5525 0.9158 0.9158 1.4293 1.4293 1.9945 1.9945 2.4577 2.4577 13.9136 13.9136 14.4210 14.4210 15.8699 15.8699 16.4174 16.4174 17.1008 17.1008 k = 0.4317 0.3696 0.1926 ( 1041 PWs) bands (ev): -16.1357 -16.1357 -16.1111 -16.1111 -0.6525 -0.6525 -0.5446 -0.5446 0.8361 0.8361 1.3847 1.3847 1.9656 1.9656 2.4614 2.4614 13.9556 13.9556 14.4716 14.4716 15.9002 15.9002 16.4736 16.4736 17.0578 17.0578 k = 0.4272 0.3816 0.2055 ( 1041 PWs) bands (ev): -16.1231 -16.1231 -16.0950 -16.0950 -0.6614 -0.6614 -0.5375 -0.5375 0.7557 0.7557 1.3319 1.3319 1.9439 1.9439 2.4659 2.4659 13.9993 13.9993 14.5021 14.5021 15.9442 15.9442 16.5256 16.5256 17.0284 17.0284 k = 0.4226 0.3936 0.2183 ( 1045 PWs) bands (ev): -16.1099 -16.1099 -16.0781 -16.0781 -0.6729 -0.6729 -0.5315 -0.5315 0.6756 0.6756 1.2717 1.2717 1.9289 1.9289 2.4711 2.4711 14.0449 14.0449 14.5101 14.5101 16.0035 16.0035 16.5726 16.5726 17.0131 17.0131 k = 0.4181 0.4056 0.2311 ( 1047 PWs) bands (ev): -16.0962 -16.0962 -16.0603 -16.0603 -0.6876 -0.6876 -0.5270 -0.5270 0.5968 0.5968 1.2060 1.2060 1.9198 1.9198 2.4769 2.4769 14.0921 14.0921 14.4952 14.4952 16.0774 16.0774 16.6142 16.6142 17.0125 17.0125 k = 0.4135 0.4176 0.2440 ( 1043 PWs) bands (ev): -16.0820 -16.0820 -16.0418 -16.0418 -0.7060 -0.7060 -0.5245 -0.5245 0.5205 0.5205 1.1363 1.1363 1.9156 1.9156 2.4833 2.4833 14.1409 14.1409 14.4594 14.4594 16.1630 16.1630 16.6500 16.6500 17.0271 17.0271 k = 0.4090 0.4296 0.2568 ( 1043 PWs) bands (ev): -16.0673 -16.0673 -16.0225 -16.0225 -0.7290 -0.7290 -0.5244 -0.5244 0.4480 0.4480 1.0646 1.0646 1.9153 1.9153 2.4902 2.4902 14.1913 14.1913 14.4057 14.4057 16.2559 16.2559 16.6801 16.6801 17.0573 17.0573 k = 0.4044 0.4416 0.2697 ( 1049 PWs) bands (ev): -16.0522 -16.0522 -16.0026 -16.0026 -0.7573 -0.7573 -0.5275 -0.5275 0.3802 0.3802 0.9924 0.9924 1.9180 1.9180 2.4976 2.4976 14.2432 14.2432 14.3376 14.3376 16.3509 16.3509 16.7045 16.7045 17.1039 17.1039 k = 0.3999 0.4536 0.2825 ( 1051 PWs) bands (ev): -16.0368 -16.0368 -15.9820 -15.9820 -0.7916 -0.7916 -0.5343 -0.5343 0.3181 0.3181 0.9214 0.9214 1.9234 1.9234 2.5054 2.5054 14.2582 14.2582 14.2969 14.2969 16.4433 16.4433 16.7238 16.7238 17.1673 17.1673 k = 0.3953 0.4656 0.2953 ( 1051 PWs) bands (ev): -16.0210 -16.0210 -15.9609 -15.9609 -0.8323 -0.8323 -0.5451 -0.5451 0.2621 0.2621 0.8533 0.8533 1.9307 1.9307 2.5136 2.5136 14.1709 14.1709 14.3517 14.3517 16.5291 16.5291 16.7389 16.7389 17.2470 17.2470 k = 0.3908 0.4777 0.3082 ( 1049 PWs) bands (ev): -16.0050 -16.0050 -15.9392 -15.9392 -0.8797 -0.8797 -0.5607 -0.5607 0.2126 0.2126 0.7896 0.7896 1.9396 1.9396 2.5221 2.5221 14.0778 14.0778 14.4081 14.4081 16.6052 16.6052 16.7512 16.7512 17.3412 17.3412 k = 0.3862 0.4897 0.3210 ( 1053 PWs) bands (ev): -15.9888 -15.9888 -15.9170 -15.9170 -0.9338 -0.9338 -0.5813 -0.5813 0.1691 0.1691 0.7316 0.7316 1.9497 1.9497 2.5309 2.5309 13.9809 13.9809 14.4658 14.4658 16.6677 16.6677 16.7654 16.7654 17.4465 17.4465 k = 0.3817 0.5017 0.3339 ( 1055 PWs) bands (ev): -15.9725 -15.9725 -15.8944 -15.8944 -0.9940 -0.9940 -0.6072 -0.6072 0.1310 0.1310 0.6809 0.6809 1.9610 1.9610 2.5399 2.5399 13.8818 13.8818 14.5249 14.5249 16.7062 16.7062 16.7930 16.7930 17.5591 17.5591 k = 0.3771 0.5137 0.3467 ( 1055 PWs) bands (ev): -15.9561 -15.9561 -15.8714 -15.8714 -1.0597 -1.0597 -0.6388 -0.6388 0.0973 0.0973 0.6385 0.6385 1.9732 1.9732 2.5490 2.5490 13.7818 13.7818 14.5852 14.5852 16.7180 16.7180 16.8388 16.8388 17.6748 17.6748 k = 0.3726 0.5257 0.3596 ( 1055 PWs) bands (ev): -15.9398 -15.9398 -15.8481 -15.8481 -1.1298 -1.1298 -0.6760 -0.6760 0.0670 0.0670 0.6050 0.6050 1.9861 1.9861 2.5582 2.5582 13.6820 13.6820 14.6468 14.6468 16.7162 16.7162 16.8913 16.8913 17.7901 17.7901 k = 0.3680 0.5377 0.3724 ( 1051 PWs) bands (ev): -15.9234 -15.9234 -15.8245 -15.8245 -1.2035 -1.2035 -0.7187 -0.7187 0.0393 0.0393 0.5807 0.5807 1.9995 1.9995 2.5675 2.5675 13.5832 13.5832 14.7095 14.7095 16.7079 16.7079 16.9447 16.9447 17.9016 17.9016 k = 0.3635 0.5497 0.3852 ( 1051 PWs) bands (ev): -15.9072 -15.9072 -15.8007 -15.8007 -1.2797 -1.2797 -0.7666 -0.7666 0.0138 0.0138 0.5652 0.5652 2.0134 2.0134 2.5768 2.5768 13.4861 13.4861 14.7733 14.7733 16.6953 16.6953 16.9976 16.9976 18.0067 18.0067 k = 0.3589 0.5617 0.3981 ( 1053 PWs) bands (ev): -15.8912 -15.8912 -15.7768 -15.7768 -1.3574 -1.3574 -0.8194 -0.8194 -0.0100 -0.0100 0.5580 0.5580 2.0276 2.0276 2.5860 2.5860 13.3914 13.3914 14.8380 14.8380 16.6796 16.6796 17.0497 17.0497 18.1034 18.1034 k = 0.3544 0.5737 0.4109 ( 1053 PWs) bands (ev): -15.8755 -15.8755 -15.7528 -15.7528 -1.4358 -1.4358 -0.8762 -0.8762 -0.0323 -0.0323 0.5582 0.5582 2.0420 2.0420 2.5952 2.5952 13.2995 13.2995 14.9037 14.9037 16.6611 16.6611 17.1010 17.1010 18.1899 18.1899 k = 0.3498 0.5857 0.4238 ( 1053 PWs) bands (ev): -15.8601 -15.8601 -15.7289 -15.7289 -1.5142 -1.5142 -0.9364 -0.9364 -0.0532 -0.0532 0.5647 0.5647 2.0566 2.0566 2.6042 2.6042 13.2110 13.2110 14.9701 14.9701 16.6405 16.6405 17.1511 17.1511 18.2652 18.2652 k = 0.3453 0.5977 0.4366 ( 1061 PWs) bands (ev): -15.8451 -15.8451 -15.7050 -15.7050 -1.5918 -1.5918 -0.9991 -0.9991 -0.0728 -0.0728 0.5765 0.5765 2.0713 2.0713 2.6130 2.6130 13.1262 13.1262 15.0372 15.0372 16.6180 16.6180 17.1999 17.1999 18.3284 18.3284 k = 0.3407 0.6097 0.4494 ( 1061 PWs) bands (ev): -15.8306 -15.8306 -15.6812 -15.6812 -1.6681 -1.6681 -1.0635 -1.0635 -0.0915 -0.0915 0.5929 0.5929 2.0860 2.0860 2.6216 2.6216 13.0454 13.0454 15.1048 15.1048 16.5940 16.5940 17.2469 17.2469 18.3795 18.3795 k = 0.3362 0.6217 0.4623 ( 1061 PWs) bands (ev): -15.8166 -15.8166 -15.6576 -15.6576 -1.7427 -1.7427 -1.1287 -1.1287 -0.1094 -0.1094 0.6130 0.6130 2.1006 2.1006 2.6300 2.6300 12.9690 12.9690 15.1727 15.1727 16.5687 16.5687 17.2916 17.2916 18.4187 18.4187 k = 0.3316 0.6338 0.4751 ( 1061 PWs) bands (ev): -15.8032 -15.8032 -15.6343 -15.6343 -1.8150 -1.8150 -1.1941 -1.1941 -0.1268 -0.1268 0.6363 0.6363 2.1150 2.1150 2.6380 2.6380 12.8971 12.8971 15.2409 15.2409 16.5427 16.5427 17.3333 17.3333 18.4466 18.4466 k = 0.3271 0.6458 0.4880 ( 1063 PWs) bands (ev): -15.7905 -15.7905 -15.6113 -15.6113 -1.8847 -1.8847 -1.2590 -1.2590 -0.1439 -0.1439 0.6621 0.6621 2.1293 2.1293 2.6457 2.6457 12.8301 12.8301 15.3090 15.3090 16.5161 16.5161 17.3711 17.3711 18.4645 18.4645 k = 0.3225 0.6578 0.5008 ( 1063 PWs) bands (ev): -15.7785 -15.7785 -15.5887 -15.5887 -1.9515 -1.9515 -1.3228 -1.3228 -0.1610 -0.1610 0.6900 0.6900 2.1433 2.1433 2.6530 2.6530 12.7682 12.7682 15.3769 15.3769 16.4893 16.4893 17.4040 17.4040 18.4737 18.4737 k = 0.3180 0.6698 0.5136 ( 1061 PWs) bands (ev): -15.7674 -15.7674 -15.5666 -15.5666 -2.0151 -2.0151 -1.3851 -1.3851 -0.1782 -0.1782 0.7197 0.7197 2.1570 2.1570 2.6599 2.6599 12.7114 12.7114 15.4443 15.4443 16.4627 16.4627 17.4307 17.4307 18.4763 18.4763 k = 0.3134 0.6818 0.5265 ( 1061 PWs) bands (ev): -15.7571 -15.7571 -15.5450 -15.5450 -2.0752 -2.0752 -1.4454 -1.4454 -0.1958 -0.1958 0.7508 0.7508 2.1703 2.1703 2.6663 2.6663 12.6600 12.6600 15.5109 15.5109 16.4366 16.4366 17.4499 17.4499 18.4741 18.4741 k = 0.3089 0.6938 0.5393 ( 1061 PWs) bands (ev): -15.7477 -15.7477 -15.5241 -15.5241 -2.1316 -2.1316 -1.5032 -1.5032 -0.2138 -0.2138 0.7831 0.7831 2.1832 2.1832 2.6722 2.6722 12.6142 12.6142 15.5764 15.5764 16.4114 16.4114 17.4600 17.4600 18.4694 18.4694 k = 0.3043 0.7058 0.5522 ( 1057 PWs) bands (ev): -15.7392 -15.7392 -15.5038 -15.5038 -2.1841 -2.1841 -1.5584 -1.5584 -0.2325 -0.2325 0.8163 0.8163 2.1957 2.1957 2.6776 2.6776 12.5739 12.5739 15.6403 15.6403 16.3877 16.3877 17.4596 17.4596 18.4644 18.4644 k = 0.2998 0.7178 0.5650 ( 1061 PWs) bands (ev): -15.7319 -15.7319 -15.4842 -15.4842 -2.2326 -2.2326 -1.6104 -1.6104 -0.2520 -0.2520 0.8502 0.8502 2.2076 2.2076 2.6824 2.6824 12.5394 12.5394 15.7021 15.7021 16.3659 16.3659 17.4477 17.4477 18.4607 18.4607 k = 0.2952 0.7298 0.5778 ( 1057 PWs) bands (ev): -15.7256 -15.7256 -15.4655 -15.4655 -2.2768 -2.2768 -1.6592 -1.6592 -0.2723 -0.2723 0.8846 0.8846 2.2191 2.2191 2.6867 2.6867 12.5106 12.5106 15.7613 15.7613 16.3466 16.3466 17.4235 17.4235 18.4596 18.4596 k = 0.2907 0.7418 0.5907 ( 1057 PWs) bands (ev): -15.7204 -15.7204 -15.4476 -15.4476 -2.3167 -2.3167 -1.7044 -1.7044 -0.2934 -0.2934 0.9193 0.9193 2.2299 2.2299 2.6904 2.6904 12.4877 12.4877 15.8169 15.8169 16.3307 16.3307 17.3871 17.3871 18.4616 18.4616 k = 0.2861 0.7538 0.6035 ( 1057 PWs) bands (ev): -15.7164 -15.7164 -15.4306 -15.4306 -2.3521 -2.3521 -1.7459 -1.7459 -0.3156 -0.3156 0.9543 0.9543 2.2401 2.2401 2.6935 2.6935 12.4708 12.4708 15.8679 15.8679 16.3190 16.3190 17.3389 17.3389 18.4666 18.4666 k = 0.2816 0.7658 0.6164 ( 1061 PWs) bands (ev): -15.7136 -15.7136 -15.4146 -15.4146 -2.3830 -2.3830 -1.7835 -1.7835 -0.3387 -0.3387 0.9893 0.9893 2.2495 2.2495 2.6959 2.6959 12.4598 12.4598 15.9133 15.9133 16.3126 16.3126 17.2801 17.2801 18.4739 18.4739 k = 0.2770 0.7778 0.6292 ( 1061 PWs) bands (ev): -15.7121 -15.7121 -15.3996 -15.3996 -2.4092 -2.4092 -1.8170 -1.8170 -0.3628 -0.3628 1.0243 1.0243 2.2583 2.2583 2.6977 2.6977 12.4548 12.4548 15.9518 15.9518 16.3127 16.3127 17.2118 17.2118 18.4826 18.4826 k = 0.2725 0.7899 0.6421 ( 1061 PWs) bands (ev): -15.7118 -15.7118 -15.3857 -15.3857 -2.4308 -2.4308 -1.8463 -1.8463 -0.3879 -0.3879 1.0590 1.0590 2.2664 2.2664 2.6988 2.6988 12.4557 12.4557 15.9823 15.9823 16.3202 16.3202 17.1353 17.1353 18.4915 18.4915 k = 0.2679 0.8019 0.6549 ( 1057 PWs) bands (ev): -15.7127 -15.7127 -15.3728 -15.3728 -2.4475 -2.4475 -1.8713 -1.8713 -0.4139 -0.4139 1.0936 1.0936 2.2738 2.2738 2.6993 2.6993 12.4627 12.4627 16.0049 16.0049 16.3349 16.3349 17.0520 17.0520 18.4995 18.4995 k = 0.2679 0.8019 0.6549 ( 1057 PWs) bands (ev): -15.7127 -15.7127 -15.3728 -15.3728 -2.4475 -2.4475 -1.8713 -1.8713 -0.4139 -0.4139 1.0936 1.0936 2.2738 2.2738 2.6993 2.6993 12.4627 12.4627 16.0049 16.0049 16.3349 16.3349 17.0520 17.0520 18.4995 18.4995 k = 0.2512 0.7989 0.6581 ( 1059 PWs) bands (ev): -15.7133 -15.7133 -15.3697 -15.3697 -2.4503 -2.4503 -1.8780 -1.8780 -0.4200 -0.4200 1.1021 1.1021 2.2755 2.2755 2.6992 2.6992 12.4677 12.4677 15.9965 15.9965 16.3373 16.3373 17.0453 17.0453 18.5000 18.5000 k = 0.2345 0.7959 0.6612 ( 1057 PWs) bands (ev): -15.7142 -15.7142 -15.3664 -15.3664 -2.4515 -2.4515 -1.8869 -1.8869 -0.4249 -0.4249 1.1106 1.1106 2.2773 2.2773 2.6990 2.6990 12.4778 12.4778 15.9613 15.9613 16.3379 16.3379 17.0661 17.0661 18.4983 18.4983 k = 0.2177 0.7930 0.6644 ( 1056 PWs) bands (ev): -15.7153 -15.7153 -15.3629 -15.3629 -2.4511 -2.4511 -1.8979 -1.8979 -0.4286 -0.4286 1.1189 1.1189 2.2791 2.2791 2.6987 2.6987 12.4926 12.4926 15.9017 15.9017 16.3404 16.3404 17.1085 17.1085 18.4948 18.4948 k = 0.2010 0.7900 0.6676 ( 1059 PWs) bands (ev): -15.7166 -15.7166 -15.3594 -15.3594 -2.4493 -2.4493 -1.9108 -1.9108 -0.4310 -0.4310 1.1267 1.1267 2.2808 2.2808 2.6983 2.6983 12.5119 12.5119 15.8236 15.8236 16.3459 16.3459 17.1652 17.1652 18.4897 18.4897 k = 0.1842 0.7871 0.6707 ( 1059 PWs) bands (ev): -15.7181 -15.7181 -15.3559 -15.3559 -2.4461 -2.4461 -1.9253 -1.9253 -0.4323 -0.4323 1.1340 1.1340 2.2825 2.2825 2.6977 2.6977 12.5352 12.5352 15.7338 15.7338 16.3541 16.3541 17.2302 17.2302 18.4837 18.4837 k = 0.1675 0.7841 0.6739 ( 1061 PWs) bands (ev): -15.7196 -15.7196 -15.3525 -15.3525 -2.4417 -2.4417 -1.9411 -1.9411 -0.4326 -0.4326 1.1408 1.1408 2.2842 2.2842 2.6971 2.6971 12.5619 12.5619 15.6378 15.6378 16.3638 16.3638 17.2986 17.2986 18.4772 18.4772 k = 0.1507 0.7811 0.6771 ( 1061 PWs) bands (ev): -15.7211 -15.7211 -15.3493 -15.3493 -2.4360 -2.4360 -1.9578 -1.9578 -0.4319 -0.4319 1.1469 1.1469 2.2858 2.2858 2.6965 2.6965 12.5915 12.5915 15.5401 15.5401 16.3743 16.3743 17.3670 17.3670 18.4710 18.4710 k = 0.1340 0.7782 0.6802 ( 1062 PWs) bands (ev): -15.7226 -15.7226 -15.3463 -15.3463 -2.4295 -2.4295 -1.9751 -1.9751 -0.4305 -0.4305 1.1523 1.1523 2.2872 2.2872 2.6959 2.6959 12.6230 12.6230 15.4437 15.4437 16.3850 16.3850 17.4328 17.4328 18.4654 18.4654 k = 0.1172 0.7752 0.6834 ( 1062 PWs) bands (ev): -15.7240 -15.7240 -15.3435 -15.3435 -2.4222 -2.4222 -1.9925 -1.9925 -0.4287 -0.4287 1.1570 1.1570 2.2886 2.2886 2.6952 2.6952 12.6554 12.6554 15.3515 15.3515 16.3954 16.3954 17.4939 17.4939 18.4609 18.4609 k = 0.1005 0.7723 0.6866 ( 1063 PWs) bands (ev): -15.7253 -15.7253 -15.3409 -15.3409 -2.4144 -2.4144 -2.0094 -2.0094 -0.4266 -0.4266 1.1610 1.1610 2.2898 2.2898 2.6946 2.6946 12.6877 12.6877 15.2657 15.2657 16.4051 16.4051 17.5488 17.5488 18.4578 18.4578 k = 0.0837 0.7693 0.6897 ( 1060 PWs) bands (ev): -15.7264 -15.7264 -15.3387 -15.3387 -2.4066 -2.4066 -2.0254 -2.0254 -0.4243 -0.4243 1.1643 1.1643 2.2909 2.2909 2.6941 2.6941 12.7185 12.7185 15.1885 15.1885 16.4138 16.4138 17.5963 17.5963 18.4561 18.4561 k = 0.0670 0.7663 0.6929 ( 1060 PWs) bands (ev): -15.7274 -15.7274 -15.3369 -15.3369 -2.3991 -2.3991 -2.0398 -2.0398 -0.4222 -0.4222 1.1670 1.1670 2.2917 2.2917 2.6936 2.6936 12.7465 12.7465 15.1219 15.1219 16.4213 16.4213 17.6357 17.6357 18.4557 18.4557 k = 0.0502 0.7634 0.6960 ( 1060 PWs) bands (ev): -15.7282 -15.7282 -15.3354 -15.3354 -2.3925 -2.3925 -2.0519 -2.0519 -0.4204 -0.4204 1.1690 1.1690 2.2924 2.2924 2.6932 2.6932 12.7702 12.7702 15.0677 15.0677 16.4274 16.4274 17.6664 17.6664 18.4562 18.4562 k = 0.0335 0.7604 0.6992 ( 1054 PWs) bands (ev): -15.7288 -15.7288 -15.3343 -15.3343 -2.3872 -2.3872 -2.0612 -2.0612 -0.4190 -0.4190 1.1705 1.1705 2.2930 2.2930 2.6929 2.6929 12.7883 12.7883 15.0277 15.0277 16.4318 16.4318 17.6883 17.6883 18.4571 18.4571 k = 0.0167 0.7575 0.7024 ( 1054 PWs) bands (ev): -15.7291 -15.7291 -15.3337 -15.3337 -2.3838 -2.3838 -2.0670 -2.0670 -0.4181 -0.4181 1.1714 1.1714 2.2933 2.2933 2.6927 2.6927 12.7997 12.7997 15.0031 15.0031 16.4345 16.4345 17.7014 17.7014 18.4579 18.4579 k = 0.0000 0.7545 0.7055 ( 1054 PWs) bands (ev): -15.7292 -15.7292 -15.3335 -15.3335 -2.3826 -2.3826 -2.0690 -2.0690 -0.4178 -0.4178 1.1717 1.1717 2.2933 2.2933 2.6927 2.6927 12.8036 12.8036 14.9948 14.9948 16.4354 16.4354 17.7058 17.7058 18.4583 18.4583 k = 0.0000 0.7545 0.7055 ( 1054 PWs) bands (ev): -15.7292 -15.7292 -15.3335 -15.3335 -2.3826 -2.3826 -2.0690 -2.0690 -0.4178 -0.4178 1.1717 1.1717 2.2933 2.2933 2.6927 2.6927 12.8036 12.8036 14.9948 14.9948 16.4354 16.4354 17.7058 17.7058 18.4583 18.4583 k = 0.0045 0.7425 0.7184 ( 1054 PWs) bands (ev): -15.7287 -15.7287 -15.3331 -15.3331 -2.3820 -2.3820 -2.0685 -2.0685 -0.4173 -0.4173 1.1714 1.1714 2.2899 2.2899 2.6891 2.6891 12.8045 12.8045 14.9960 14.9960 16.4420 16.4420 17.7117 17.7117 18.4446 18.4446 k = 0.0091 0.7305 0.7312 ( 1056 PWs) bands (ev): -15.7271 -15.7271 -15.3318 -15.3318 -2.3801 -2.3801 -2.0669 -2.0669 -0.4157 -0.4157 1.1706 1.1706 2.2794 2.2794 2.6783 2.6783 12.8073 12.8073 14.9994 14.9994 16.4617 16.4617 17.7293 17.7293 18.4042 18.4042 k = 0.0136 0.7185 0.7440 ( 1056 PWs) bands (ev): -15.7244 -15.7244 -15.3297 -15.3297 -2.3770 -2.3770 -2.0642 -2.0642 -0.4130 -0.4130 1.1693 1.1693 2.2621 2.2621 2.6604 2.6604 12.8121 12.8121 15.0051 15.0051 16.4944 16.4944 17.7586 17.7586 18.3396 18.3396 k = 0.0182 0.7065 0.7569 ( 1058 PWs) bands (ev): -15.7206 -15.7206 -15.3268 -15.3268 -2.3726 -2.3726 -2.0605 -2.0605 -0.4094 -0.4094 1.1673 1.1673 2.2381 2.2381 2.6356 2.6356 12.8187 12.8187 15.0127 15.0127 16.5397 16.5397 17.7995 17.7995 18.2537 18.2537 k = 0.0227 0.6945 0.7697 ( 1060 PWs) bands (ev): -15.7158 -15.7158 -15.3231 -15.3231 -2.3670 -2.3670 -2.0556 -2.0556 -0.4046 -0.4046 1.1646 1.1646 2.2076 2.2076 2.6041 2.6041 12.8271 12.8271 15.0219 15.0219 16.5973 16.5973 17.8517 17.8517 18.1503 18.1503 k = 0.0273 0.6825 0.7825 ( 1060 PWs) bands (ev): -15.7099 -15.7099 -15.3185 -15.3185 -2.3602 -2.3602 -2.0498 -2.0498 -0.3989 -0.3989 1.1610 1.1610 2.1711 2.1711 2.5662 2.5662 12.8374 12.8374 15.0324 15.0324 16.6667 16.6667 17.9138 17.9138 18.0340 18.0340 k = 0.0318 0.6705 0.7953 ( 1060 PWs) bands (ev): -15.7030 -15.7030 -15.3132 -15.3132 -2.3522 -2.3522 -2.0429 -2.0429 -0.3922 -0.3922 1.1564 1.1564 2.1288 2.1288 2.5222 2.5222 12.8495 12.8495 15.0437 15.0437 16.7469 16.7469 17.8986 17.8986 17.9952 17.9952 k = 0.0364 0.6585 0.8082 ( 1058 PWs) bands (ev): -15.6951 -15.6951 -15.3070 -15.3070 -2.3430 -2.3430 -2.0350 -2.0350 -0.3846 -0.3846 1.1506 1.1506 2.0813 2.0813 2.4727 2.4727 12.8634 12.8634 15.0553 15.0553 16.8364 16.8364 17.7652 17.7652 18.0771 18.0771 k = 0.0409 0.6465 0.8210 ( 1058 PWs) bands (ev): -15.6861 -15.6861 -15.3001 -15.3001 -2.3326 -2.3326 -2.0262 -2.0262 -0.3760 -0.3760 1.1432 1.1432 2.0290 2.0290 2.4179 2.4179 12.8791 12.8791 15.0666 15.0666 16.9318 16.9318 17.6276 17.6276 18.1674 18.1674 k = 0.0455 0.6345 0.8338 ( 1056 PWs) bands (ev): -15.6762 -15.6762 -15.2925 -15.2925 -2.3211 -2.3211 -2.0163 -2.0163 -0.3666 -0.3666 1.1338 1.1338 1.9726 1.9726 2.3586 2.3586 12.8964 12.8964 15.0768 15.0768 17.0232 17.0232 17.4987 17.4987 18.2443 18.2443 k = 0.0500 0.6225 0.8467 ( 1058 PWs) bands (ev): -15.6653 -15.6653 -15.2841 -15.2841 -2.3084 -2.3084 -2.0056 -2.0056 -0.3564 -0.3564 1.1221 1.1221 1.9127 1.9127 2.2952 2.2952 12.9154 12.9154 15.0852 15.0852 17.0744 17.0744 17.4157 17.4157 18.1892 18.1892 k = 0.0545 0.6106 0.8595 ( 1056 PWs) bands (ev): -15.6534 -15.6534 -15.2750 -15.2750 -2.2947 -2.2947 -1.9939 -1.9939 -0.3455 -0.3455 1.1074 1.1074 1.8500 1.8500 2.2285 2.2285 12.9360 12.9360 15.0909 15.0909 17.0205 17.0205 17.4444 17.4444 18.0238 18.0238 k = 0.0591 0.5986 0.8723 ( 1060 PWs) bands (ev): -15.6407 -15.6407 -15.2653 -15.2653 -2.2799 -2.2799 -1.9814 -1.9814 -0.3339 -0.3339 1.0890 1.0890 1.7853 1.7853 2.1592 2.1592 12.9580 12.9580 15.0929 15.0929 16.8927 16.8927 17.5534 17.5534 17.8478 17.8478 k = 0.0636 0.5866 0.8851 ( 1056 PWs) bands (ev): -15.6270 -15.6270 -15.2549 -15.2549 -2.2641 -2.2641 -1.9681 -1.9681 -0.3217 -0.3217 1.0661 1.0661 1.7194 1.7194 2.0886 2.0886 12.9815 12.9815 15.0901 15.0901 16.7415 16.7415 17.6747 17.6747 17.6944 17.6944 k = 0.0682 0.5746 0.8980 ( 1056 PWs) bands (ev): -15.6125 -15.6125 -15.2439 -15.2439 -2.2473 -2.2473 -1.9540 -1.9540 -0.3091 -0.3091 1.0377 1.0377 1.6529 1.6529 2.0175 2.0175 13.0063 13.0063 15.0810 15.0810 16.5825 16.5825 17.5136 17.5136 17.8463 17.8463 k = 0.0727 0.5626 0.9108 ( 1058 PWs) bands (ev): -15.5971 -15.5971 -15.2324 -15.2324 -2.2296 -2.2296 -1.9392 -1.9392 -0.2962 -0.2962 1.0031 1.0031 1.5863 1.5863 1.9473 1.9473 13.0323 13.0323 15.0644 15.0644 16.4204 16.4204 17.3619 17.3619 18.0087 18.0087 k = 0.0773 0.5506 0.9236 ( 1058 PWs) bands (ev): -15.5809 -15.5809 -15.2203 -15.2203 -2.2109 -2.2109 -1.9237 -1.9237 -0.2831 -0.2831 0.9614 0.9614 1.5198 1.5198 1.8797 1.8797 13.0593 13.0593 15.0387 15.0387 16.2577 16.2577 17.2227 17.2227 18.1769 18.1769 k = 0.0818 0.5386 0.9365 ( 1058 PWs) bands (ev): -15.5640 -15.5640 -15.2077 -15.2077 -2.1914 -2.1914 -1.9076 -1.9076 -0.2701 -0.2701 0.9122 0.9122 1.4530 1.4530 1.8163 1.8163 13.0871 13.0871 15.0027 15.0027 16.0956 16.0956 17.0978 17.0978 18.3483 18.3483 k = 0.0864 0.5266 0.9493 ( 1056 PWs) bands (ev): -15.5463 -15.5463 -15.1947 -15.1947 -2.1712 -2.1712 -1.8909 -1.8909 -0.2574 -0.2574 0.8556 0.8556 1.3854 1.3854 1.7586 1.7586 13.1156 13.1156 14.9551 14.9551 15.9350 15.9350 16.9883 16.9883 18.5195 18.5195 k = 0.0909 0.5146 0.9621 ( 1056 PWs) bands (ev): -15.5280 -15.5280 -15.1813 -15.1813 -2.1501 -2.1501 -1.8737 -1.8737 -0.2453 -0.2453 0.7921 0.7921 1.3163 1.3163 1.7079 1.7079 13.1445 13.1445 14.8953 14.8953 15.7766 15.7766 16.8950 16.8950 18.6861 18.6861 k = 0.0955 0.5026 0.9749 ( 1060 PWs) bands (ev): -15.5090 -15.5090 -15.1675 -15.1675 -2.1285 -2.1285 -1.8561 -1.8561 -0.2341 -0.2341 0.7225 0.7225 1.2453 1.2453 1.6644 1.6644 13.1734 13.1734 14.8231 14.8231 15.6213 15.6213 16.8179 16.8179 18.8412 18.8412 k = 0.1000 0.4906 0.9878 ( 1058 PWs) bands (ev): -15.4894 -15.4894 -15.1534 -15.1534 -2.1062 -2.1062 -1.8382 -1.8382 -0.2243 -0.2243 0.6482 0.6482 1.1728 1.1728 1.6282 1.6282 13.2019 13.2019 14.7393 14.7393 15.4698 15.4698 16.7563 16.7563 18.9748 18.9748 k = 0.1045 0.4786 1.0006 ( 1060 PWs) bands (ev): -15.4693 -15.4693 -15.1390 -15.1390 -2.0833 -2.0833 -1.8199 -1.8199 -0.2165 -0.2165 0.5701 0.5701 1.0995 1.0995 1.5982 1.5982 13.2296 13.2296 14.6449 14.6449 15.3229 15.3229 16.7091 16.7091 19.0730 19.0730 k = 0.1091 0.4666 1.0134 ( 1060 PWs) bands (ev): -15.4487 -15.4487 -15.1244 -15.1244 -2.0600 -2.0600 -1.8015 -1.8015 -0.2113 -0.2113 0.4895 0.4895 1.0266 1.0266 1.5736 1.5736 13.2556 13.2556 14.5415 14.5415 15.1814 15.1814 16.6744 16.6744 19.1240 19.1240 k = 0.1136 0.4546 1.0263 ( 1058 PWs) bands (ev): -15.4276 -15.4276 -15.1097 -15.1097 -2.0363 -2.0363 -1.7829 -1.7829 -0.2097 -0.2097 0.4074 0.4074 0.9556 0.9556 1.5532 1.5532 13.2792 13.2792 14.4308 14.4308 15.0465 15.0465 16.6503 16.6503 19.1267 19.1267 k = 0.1182 0.4426 1.0391 ( 1054 PWs) bands (ev): -15.4061 -15.4061 -15.0948 -15.0948 -2.0123 -2.0123 -1.7644 -1.7644 -0.2126 -0.2126 0.3249 0.3249 0.8880 0.8880 1.5361 1.5361 13.2993 13.2993 14.3147 14.3147 14.9194 14.9194 16.6348 16.6348 19.0917 19.0917 k = 0.1227 0.4306 1.0519 ( 1056 PWs) bands (ev): -15.3842 -15.3842 -15.0799 -15.0799 -1.9881 -1.9881 -1.7459 -1.7459 -0.2211 -0.2211 0.2426 0.2426 0.8255 0.8255 1.5215 1.5215 13.3144 13.3144 14.1949 14.1949 14.8017 14.8017 16.6258 16.6258 19.0331 19.0331 k = 0.1273 0.4186 1.0647 ( 1058 PWs) bands (ev): -15.3621 -15.3621 -15.0651 -15.0651 -1.9639 -1.9639 -1.7275 -1.7275 -0.2365 -0.2365 0.1616 0.1616 0.7694 0.7694 1.5087 1.5087 13.3230 13.3230 14.0727 14.0727 14.6951 14.6951 16.6215 16.6215 18.9617 18.9617 k = 0.1318 0.4066 1.0776 ( 1058 PWs) bands (ev): -15.3398 -15.3398 -15.0503 -15.0503 -1.9396 -1.9396 -1.7095 -1.7095 -0.2596 -0.2596 0.0825 0.0825 0.7212 0.7212 1.4973 1.4973 13.3230 13.3230 13.9496 13.9496 14.6017 14.6017 16.6201 16.6201 18.8843 18.8843 k = 0.1364 0.3946 1.0904 ( 1060 PWs) bands (ev): -15.3172 -15.3172 -15.0356 -15.0356 -1.9154 -1.9154 -1.6918 -1.6918 -0.2913 -0.2913 0.0058 0.0058 0.6818 0.6818 1.4869 1.4869 13.3127 13.3127 13.8265 13.8265 14.5235 14.5235 16.6200 16.6200 18.8052 18.8052 k = 0.1409 0.3826 1.1032 ( 1060 PWs) bands (ev): -15.2946 -15.2946 -15.0211 -15.0211 -1.8915 -1.8915 -1.6746 -1.6746 -0.3312 -0.3312 -0.0682 -0.0682 0.6518 0.6518 1.4770 1.4770 13.2905 13.2905 13.7045 13.7045 14.4621 14.4621 16.6195 16.6195 18.7269 18.7269 k = 0.1455 0.3706 1.1160 ( 1060 PWs) bands (ev): -15.2719 -15.2719 -15.0069 -15.0069 -1.8680 -1.8680 -1.6580 -1.6580 -0.3787 -0.3787 -0.1394 -0.1394 0.6309 0.6309 1.4675 1.4675 13.2557 13.2557 13.5842 13.5842 14.4184 14.4184 16.6174 16.6174 18.6512 18.6512 k = 0.1500 0.3586 1.1289 ( 1060 PWs) bands (ev): -15.2492 -15.2492 -14.9930 -14.9930 -1.8451 -1.8451 -1.6421 -1.6421 -0.4322 -0.4322 -0.2082 -0.2082 0.6187 0.6187 1.4580 1.4580 13.2087 13.2087 13.4663 13.4663 14.3919 14.3919 16.6122 16.6122 18.5790 18.5790 k = 0.1545 0.3466 1.1417 ( 1062 PWs) bands (ev): -15.2266 -15.2266 -14.9795 -14.9795 -1.8230 -1.8230 -1.6269 -1.6269 -0.4897 -0.4897 -0.2749 -0.2749 0.6140 0.6140 1.4485 1.4485 13.1512 13.1512 13.3514 13.3514 14.3811 14.3811 16.6027 16.6027 18.5112 18.5112 k = 0.1591 0.3346 1.1545 ( 1062 PWs) bands (ev): -15.2042 -15.2042 -14.9665 -14.9665 -1.8018 -1.8018 -1.6127 -1.6127 -0.5496 -0.5496 -0.3395 -0.3395 0.6159 0.6159 1.4387 1.4387 13.0853 13.0853 13.2398 13.2398 14.3839 14.3839 16.5879 16.5879 18.4484 18.4484 k = 0.1636 0.3227 1.1674 ( 1064 PWs) bands (ev): -15.1819 -15.1819 -14.9540 -14.9540 -1.7817 -1.7817 -1.5995 -1.5995 -0.6101 -0.6101 -0.4020 -0.4020 0.6233 0.6233 1.4285 1.4285 13.0136 13.0136 13.1321 13.1321 14.3979 14.3979 16.5669 16.5669 18.3908 18.3908 k = 0.1682 0.3107 1.1802 ( 1064 PWs) bands (ev): -15.1600 -15.1600 -14.9420 -14.9420 -1.7632 -1.7632 -1.5873 -1.5873 -0.6700 -0.6700 -0.4622 -0.4622 0.6351 0.6351 1.4179 1.4179 12.9383 12.9383 13.0285 13.0285 14.4210 14.4210 16.5393 16.5393 18.3388 18.3388 k = 0.1727 0.2987 1.1930 ( 1062 PWs) bands (ev): -15.1383 -15.1383 -14.9306 -14.9306 -1.7463 -1.7463 -1.5761 -1.5761 -0.7284 -0.7284 -0.5196 -0.5196 0.6506 0.6506 1.4067 1.4067 12.8613 12.8613 12.9293 12.9293 14.4512 14.4512 16.5046 16.5046 18.2926 18.2926 k = 0.1773 0.2867 1.2058 ( 1062 PWs) bands (ev): -15.1171 -15.1171 -14.9199 -14.9199 -1.7313 -1.7313 -1.5661 -1.5661 -0.7846 -0.7846 -0.5739 -0.5739 0.6689 0.6689 1.3949 1.3949 12.7843 12.7843 12.8349 12.8349 14.4870 14.4870 16.4631 16.4631 18.2523 18.2523 k = 0.1818 0.2747 1.2187 ( 1064 PWs) bands (ev): -15.0964 -15.0964 -14.9100 -14.9100 -1.7187 -1.7187 -1.5572 -1.5572 -0.8379 -0.8379 -0.6246 -0.6246 0.6896 0.6896 1.3824 1.3824 12.7083 12.7083 12.7453 12.7453 14.5274 14.5274 16.4151 16.4151 18.2179 18.2179 k = 0.1864 0.2627 1.2315 ( 1064 PWs) bands (ev): -15.0762 -15.0762 -14.9009 -14.9009 -1.7085 -1.7085 -1.5494 -1.5494 -0.8880 -0.8880 -0.6714 -0.6714 0.7122 0.7122 1.3691 1.3691 12.6344 12.6344 12.6609 12.6609 14.5714 14.5714 16.3613 16.3613 18.1895 18.1895 k = 0.1909 0.2507 1.2443 ( 1062 PWs) bands (ev): -15.0565 -15.0565 -14.8926 -14.8926 -1.7008 -1.7008 -1.5428 -1.5428 -0.9344 -0.9344 -0.7140 -0.7140 0.7363 0.7363 1.3550 1.3550 12.5634 12.5634 12.5819 12.5819 14.6184 14.6184 16.3023 16.3023 18.1670 18.1670 k = 0.1955 0.2387 1.2572 ( 1064 PWs) bands (ev): -15.0376 -15.0376 -14.8853 -14.8853 -1.6959 -1.6959 -1.5374 -1.5374 -0.9768 -0.9768 -0.7522 -0.7522 0.7614 0.7614 1.3401 1.3401 12.4956 12.4956 12.5084 12.5084 14.6679 14.6679 16.2390 16.2390 18.1503 18.1503 k = 0.2000 0.2267 1.2700 ( 1066 PWs) bands (ev): -15.0194 -15.0194 -14.8789 -14.8789 -1.6935 -1.6935 -1.5333 -1.5333 -1.0150 -1.0150 -0.7861 -0.7861 0.7875 0.7875 1.3243 1.3243 12.4316 12.4316 12.4409 12.4409 14.7195 14.7195 16.1724 16.1724 18.1392 18.1392 k = 0.2045 0.2147 1.2828 ( 1066 PWs) bands (ev): -15.0019 -15.0019 -14.8735 -14.8735 -1.6935 -1.6935 -1.5307 -1.5307 -1.0487 -1.0487 -0.8155 -0.8155 0.8141 0.8141 1.3077 1.3077 12.3716 12.3716 12.3793 12.3793 14.7730 14.7730 16.1031 16.1031 18.1337 18.1337 k = 0.2091 0.2027 1.2956 ( 1070 PWs) bands (ev): -14.9854 -14.9854 -14.8691 -14.8691 -1.6954 -1.6954 -1.5297 -1.5297 -1.0778 -1.0778 -0.8409 -0.8409 0.8412 0.8412 1.2901 1.2901 12.3161 12.3161 12.3237 12.3237 14.8281 14.8281 16.0319 16.0319 18.1333 18.1333 k = 0.2136 0.1907 1.3085 ( 1066 PWs) bands (ev): -14.9696 -14.9696 -14.8658 -14.8658 -1.6987 -1.6987 -1.5301 -1.5301 -1.1024 -1.1024 -0.8623 -0.8623 0.8685 0.8685 1.2718 1.2718 12.2658 12.2658 12.2738 12.2738 14.8847 14.8847 15.9595 15.9595 18.1379 18.1379 k = 0.2182 0.1787 1.3213 ( 1064 PWs) bands (ev): -14.9548 -14.9548 -14.8636 -14.8636 -1.7031 -1.7031 -1.5320 -1.5320 -1.1225 -1.1225 -0.8801 -0.8801 0.8959 0.8959 1.2527 1.2527 12.2211 12.2211 12.2294 12.2294 14.9428 14.9428 15.8865 15.8865 18.1470 18.1470 k = 0.2227 0.1667 1.3341 ( 1062 PWs) bands (ev): -14.9410 -14.9410 -14.8625 -14.8625 -1.7081 -1.7081 -1.5350 -1.5350 -1.1384 -1.1384 -0.8947 -0.8947 0.9231 0.9231 1.2329 1.2329 12.1822 12.1822 12.1906 12.1906 15.0022 15.0022 15.8133 15.8133 18.1602 18.1602 k = 0.2273 0.1547 1.3470 ( 1064 PWs) bands (ev): -14.9282 -14.9282 -14.8626 -14.8626 -1.7131 -1.7131 -1.5388 -1.5388 -1.1507 -1.1507 -0.9064 -0.9064 0.9500 0.9500 1.2124 1.2124 12.1493 12.1493 12.1575 12.1575 15.0630 15.0630 15.7402 15.7402 18.1769 18.1769 k = 0.2318 0.1427 1.3598 ( 1060 PWs) bands (ev): -14.9165 -14.9165 -14.8638 -14.8638 -1.7177 -1.7177 -1.5428 -1.5428 -1.1598 -1.1598 -0.9155 -0.9155 0.9763 0.9763 1.1914 1.1914 12.1223 12.1223 12.1302 12.1302 15.1251 15.1251 15.6677 15.6677 18.1966 18.1966 k = 0.2364 0.1307 1.3726 ( 1060 PWs) bands (ev): -14.9058 -14.9058 -14.8663 -14.8663 -1.7217 -1.7217 -1.5465 -1.5465 -1.1663 -1.1663 -0.9224 -0.9224 1.0015 1.0015 1.1704 1.1704 12.1014 12.1014 12.1088 12.1088 15.1885 15.1885 15.5960 15.5960 18.2187 18.2187 k = 0.2409 0.1187 1.3854 ( 1054 PWs) bands (ev): -14.8963 -14.8963 -14.8699 -14.8699 -1.7247 -1.7247 -1.5495 -1.5495 -1.1705 -1.1705 -0.9271 -0.9271 1.0249 1.0249 1.1501 1.1501 12.0865 12.0865 12.0934 12.0934 15.2532 15.2532 15.5252 15.5252 18.2424 18.2424 k = 0.2455 0.1067 1.3983 ( 1052 PWs) bands (ev): -14.8879 -14.8879 -14.8747 -14.8747 -1.7265 -1.7265 -1.5515 -1.5515 -1.1729 -1.1729 -0.9298 -0.9298 1.0439 1.0439 1.1329 1.1329 12.0775 12.0775 12.0841 12.0841 15.3191 15.3191 15.4556 15.4556 18.2665 18.2665 k = 0.2500 0.0947 1.4111 ( 1052 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7272 -1.7272 -1.5521 -1.5521 -1.1737 -1.1737 -0.9307 -0.9307 1.0522 1.0522 1.1252 1.1252 12.0746 12.0746 12.0810 12.0810 15.3804 15.3804 15.3930 15.3930 18.2839 18.2839 k = 0.2500 0.0947 1.4111 ( 1052 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7272 -1.7272 -1.5521 -1.5521 -1.1737 -1.1737 -0.9307 -0.9307 1.0522 1.0522 1.1252 1.1252 12.0746 12.0746 12.0810 12.0810 15.3804 15.3804 15.3930 15.3930 18.2839 18.2839 k = 0.2656 0.1007 1.4048 ( 1052 PWs) bands (ev): -14.8830 -14.8830 -14.8786 -14.8786 -1.7268 -1.7268 -1.5527 -1.5527 -1.1728 -1.1728 -0.9311 -0.9311 1.0514 1.0514 1.1260 1.1260 12.0743 12.0743 12.0807 12.0807 15.3666 15.3666 15.4167 15.4167 18.2616 18.2616 k = 0.2812 0.1066 1.3984 ( 1055 PWs) bands (ev): -14.8852 -14.8852 -14.8769 -14.8769 -1.7256 -1.7256 -1.5544 -1.5544 -1.1701 -1.1701 -0.9322 -0.9322 1.0495 1.0495 1.1277 1.1277 12.0737 12.0737 12.0799 12.0799 15.3567 15.3567 15.4564 15.4564 18.1972 18.1972 k = 0.2969 0.1125 1.3921 ( 1056 PWs) bands (ev): -14.8872 -14.8872 -14.8756 -14.8756 -1.7237 -1.7237 -1.5572 -1.5572 -1.1657 -1.1657 -0.9341 -0.9341 1.0473 1.0473 1.1298 1.1298 12.0726 12.0726 12.0788 12.0788 15.3554 15.3554 15.5071 15.5071 18.0997 18.0997 k = 0.3125 0.1184 1.3858 ( 1054 PWs) bands (ev): -14.8891 -14.8891 -14.8746 -14.8746 -1.7211 -1.7211 -1.5609 -1.5609 -1.1597 -1.1597 -0.9366 -0.9366 1.0451 1.0451 1.1317 1.1317 12.0712 12.0712 12.0774 12.0774 15.3628 15.3628 15.5684 15.5684 17.9768 17.9768 k = 0.3281 0.1243 1.3794 ( 1054 PWs) bands (ev): -14.8909 -14.8909 -14.8742 -14.8742 -1.7177 -1.7177 -1.5655 -1.5655 -1.1522 -1.1522 -0.9398 -0.9398 1.0434 1.0434 1.1330 1.1330 12.0695 12.0695 12.0759 12.0759 15.3790 15.3790 15.6400 15.6400 17.8358 17.8358 k = 0.3438 0.1303 1.3731 ( 1056 PWs) bands (ev): -14.8926 -14.8926 -14.8741 -14.8741 -1.7137 -1.7137 -1.5709 -1.5709 -1.1433 -1.1433 -0.9436 -0.9436 1.0423 1.0423 1.1336 1.1336 12.0678 12.0678 12.0746 12.0746 15.4038 15.4038 15.7215 15.7215 17.6823 17.6823 k = 0.3594 0.1362 1.3668 ( 1054 PWs) bands (ev): -14.8940 -14.8940 -14.8745 -14.8745 -1.7090 -1.7090 -1.5768 -1.5768 -1.1332 -1.1332 -0.9479 -0.9479 1.0420 1.0420 1.1333 1.1333 12.0664 12.0664 12.0737 12.0737 15.4369 15.4369 15.8126 15.8126 17.5209 17.5209 k = 0.3750 0.1421 1.3604 ( 1054 PWs) bands (ev): -14.8954 -14.8954 -14.8754 -14.8754 -1.7036 -1.7036 -1.5832 -1.5832 -1.1220 -1.1220 -0.9528 -0.9528 1.0426 1.0426 1.1319 1.1319 12.0654 12.0654 12.0731 12.0731 15.4780 15.4780 15.9127 15.9127 17.3549 17.3549 k = 0.3906 0.1480 1.3541 ( 1056 PWs) bands (ev): -14.8965 -14.8965 -14.8767 -14.8767 -1.6976 -1.6976 -1.5899 -1.5899 -1.1100 -1.1100 -0.9580 -0.9580 1.0440 1.0440 1.1295 1.1295 12.0652 12.0652 12.0733 12.0733 15.5270 15.5270 16.0213 16.0213 17.1868 17.1868 k = 0.4062 0.1539 1.3478 ( 1056 PWs) bands (ev): -14.8974 -14.8974 -14.8785 -14.8785 -1.6911 -1.6911 -1.5967 -1.5967 -1.0972 -1.0972 -0.9637 -0.9637 1.0463 1.0463 1.1260 1.1260 12.0661 12.0661 12.0742 12.0742 15.5835 15.5835 16.1379 16.1379 17.0188 17.0188 k = 0.4219 0.1599 1.3414 ( 1056 PWs) bands (ev): -14.8982 -14.8982 -14.8808 -14.8808 -1.6841 -1.6841 -1.6035 -1.6035 -1.0839 -1.0839 -0.9696 -0.9696 1.0495 1.0495 1.1214 1.1214 12.0683 12.0683 12.0761 12.0761 15.6472 15.6472 16.2616 16.2616 16.8524 16.8524 k = 0.4375 0.1658 1.3351 ( 1056 PWs) bands (ev): -14.8988 -14.8988 -14.8836 -14.8836 -1.6766 -1.6766 -1.6102 -1.6102 -1.0703 -1.0703 -0.9756 -0.9756 1.0536 1.0536 1.1157 1.1157 12.0720 12.0720 12.0791 12.0791 15.7177 15.7177 16.3905 16.3905 16.6903 16.6903 k = 0.4531 0.1717 1.3288 ( 1056 PWs) bands (ev): -14.8992 -14.8992 -14.8868 -14.8868 -1.6689 -1.6689 -1.6163 -1.6163 -1.0567 -1.0567 -0.9814 -0.9814 1.0585 1.0585 1.1088 1.1088 12.0773 12.0773 12.0835 12.0835 15.7947 15.7947 16.4864 16.4864 16.5710 16.5710 k = 0.4688 0.1776 1.3225 ( 1056 PWs) bands (ev): -14.8994 -14.8994 -14.8905 -14.8905 -1.6614 -1.6614 -1.6217 -1.6217 -1.0437 -1.0437 -0.9866 -0.9866 1.0643 1.0643 1.1010 1.1010 12.0845 12.0845 12.0893 12.0893 15.8779 15.8779 16.3592 16.3592 16.6849 16.6849 k = 0.4844 0.1835 1.3161 ( 1055 PWs) bands (ev): -14.8994 -14.8994 -14.8946 -14.8946 -1.6549 -1.6549 -1.6251 -1.6251 -1.0329 -1.0329 -0.9897 -0.9897 1.0703 1.0703 1.0927 1.0927 12.0934 12.0934 12.0969 12.0969 15.9669 15.9669 16.2087 16.2087 16.8321 16.8321 k = 0.5000 0.1895 1.3098 ( 1058 PWs) bands (ev): -14.8993 -14.8993 -14.8992 -14.8992 -1.6514 -1.6514 -1.6247 -1.6247 -1.0268 -1.0268 -0.9879 -0.9879 1.0734 1.0734 1.0870 1.0870 12.1038 12.1038 12.1066 12.1066 16.0597 16.0597 16.0632 16.0632 16.9820 16.9820 k = 0.5000 0.1895 1.3098 ( 1058 PWs) bands (ev): -14.8993 -14.8993 -14.8992 -14.8992 -1.6514 -1.6514 -1.6247 -1.6247 -1.0268 -1.0268 -0.9879 -0.9879 1.0734 1.0734 1.0870 1.0870 12.1038 12.1038 12.1066 12.1066 16.0597 16.0597 16.0632 16.0632 16.9820 16.9820 k = 0.5000 0.1895 1.2916 ( 1058 PWs) bands (ev): -14.9065 -14.9065 -14.9064 -14.9064 -1.6470 -1.6470 -1.6157 -1.6157 -1.0182 -1.0182 -0.9724 -0.9724 1.0680 1.0680 1.0842 1.0842 12.1379 12.1379 12.1412 12.1412 15.9924 15.9924 15.9968 15.9968 17.0731 17.0731 k = 0.5000 0.1895 1.2734 ( 1056 PWs) bands (ev): -14.9148 -14.9148 -14.9148 -14.9148 -1.6413 -1.6413 -1.6056 -1.6056 -1.0075 -1.0075 -0.9549 -0.9549 1.0619 1.0619 1.0807 1.0807 12.1773 12.1773 12.1811 12.1811 15.9283 15.9283 15.9337 15.9337 17.1652 17.1652 k = 0.5000 0.1895 1.2552 ( 1054 PWs) bands (ev): -14.9243 -14.9243 -14.9242 -14.9242 -1.6344 -1.6344 -1.5944 -1.5944 -0.9949 -0.9949 -0.9356 -0.9356 1.0551 1.0551 1.0766 1.0766 12.2220 12.2220 12.2262 12.2262 15.8676 15.8676 15.8739 15.8739 17.2581 17.2581 k = 0.5000 0.1895 1.2370 ( 1058 PWs) bands (ev): -14.9349 -14.9349 -14.9348 -14.9348 -1.6263 -1.6263 -1.5821 -1.5821 -0.9805 -0.9805 -0.9144 -0.9144 1.0477 1.0477 1.0720 1.0720 12.2717 12.2717 12.2765 12.2765 15.8106 15.8106 15.8178 15.8178 17.3515 17.3515 k = 0.5000 0.1895 1.2188 ( 1062 PWs) bands (ev): -14.9466 -14.9466 -14.9465 -14.9465 -1.6169 -1.6169 -1.5687 -1.5687 -0.9641 -0.9641 -0.8914 -0.8914 1.0397 1.0397 1.0668 1.0668 12.3262 12.3262 12.3316 12.3316 15.7575 15.7575 15.7657 15.7657 17.4453 17.4453 k = 0.5000 0.1895 1.2006 ( 1066 PWs) bands (ev): -14.9594 -14.9594 -14.9593 -14.9593 -1.6062 -1.6062 -1.5541 -1.5541 -0.9459 -0.9459 -0.8666 -0.8666 1.0310 1.0310 1.0611 1.0611 12.3855 12.3855 12.3913 12.3913 15.7086 15.7086 15.7177 15.7177 17.5392 17.5392 k = 0.5000 0.1895 1.1825 ( 1066 PWs) bands (ev): -14.9731 -14.9731 -14.9730 -14.9730 -1.5942 -1.5942 -1.5384 -1.5384 -0.9259 -0.9259 -0.8400 -0.8400 1.0218 1.0218 1.0550 1.0550 12.4491 12.4491 12.4555 12.4555 15.6641 15.6641 15.6742 15.6742 17.6331 17.6331 k = 0.5000 0.1895 1.1643 ( 1064 PWs) bands (ev): -14.9879 -14.9879 -14.9878 -14.9878 -1.5810 -1.5810 -1.5214 -1.5214 -0.9041 -0.9041 -0.8116 -0.8116 1.0120 1.0120 1.0484 1.0484 12.5169 12.5169 12.5238 12.5238 15.6244 15.6244 15.6355 15.6355 17.7268 17.7268 k = 0.5000 0.1895 1.1461 ( 1064 PWs) bands (ev): -15.0037 -15.0037 -15.0036 -15.0036 -1.5664 -1.5664 -1.5033 -1.5033 -0.8806 -0.8806 -0.7814 -0.7814 1.0018 1.0018 1.0415 1.0415 12.5885 12.5885 12.5959 12.5959 15.5897 15.5897 15.6017 15.6017 17.8202 17.8202 k = 0.5000 0.1895 1.1279 ( 1064 PWs) bands (ev): -15.0205 -15.0205 -15.0203 -15.0203 -1.5505 -1.5505 -1.4840 -1.4840 -0.8555 -0.8555 -0.7496 -0.7496 0.9910 0.9910 1.0343 1.0343 12.6635 12.6635 12.6714 12.6714 15.5603 15.5603 15.5732 15.5732 17.9131 17.9131 k = 0.5000 0.1895 1.1097 ( 1060 PWs) bands (ev): -15.0381 -15.0381 -15.0380 -15.0380 -1.5332 -1.5332 -1.4635 -1.4635 -0.8288 -0.8288 -0.7161 -0.7161 0.9798 0.9798 1.0269 1.0269 12.7416 12.7416 12.7500 12.7500 15.5366 15.5366 15.5504 15.5504 18.0053 18.0053 k = 0.5000 0.1895 1.0915 ( 1060 PWs) bands (ev): -15.0567 -15.0567 -15.0565 -15.0565 -1.5147 -1.5147 -1.4418 -1.4418 -0.8005 -0.8005 -0.6810 -0.6810 0.9682 0.9682 1.0192 1.0192 12.8223 12.8223 12.8312 12.8312 15.5189 15.5189 15.5335 15.5335 18.0967 18.0967 k = 0.5000 0.1895 1.0733 ( 1060 PWs) bands (ev): -15.0761 -15.0761 -15.0759 -15.0759 -1.4948 -1.4948 -1.4188 -1.4188 -0.7708 -0.7708 -0.6443 -0.6443 0.9563 0.9563 1.0114 1.0114 12.9052 12.9052 12.9146 12.9146 15.5076 15.5076 15.5231 15.5231 18.1871 18.1871 k = 0.5000 0.1895 1.0551 ( 1064 PWs) bands (ev): -15.0963 -15.0963 -15.0961 -15.0961 -1.4737 -1.4737 -1.3947 -1.3947 -0.7397 -0.7397 -0.6060 -0.6060 0.9441 0.9441 1.0036 1.0036 12.9897 12.9897 12.9995 12.9995 15.5030 15.5030 15.5193 15.5193 18.2764 18.2764 k = 0.5000 0.1895 1.0369 ( 1060 PWs) bands (ev): -15.1173 -15.1173 -15.1171 -15.1171 -1.4512 -1.4512 -1.3693 -1.3693 -0.7073 -0.7073 -0.5662 -0.5662 0.9316 0.9316 0.9959 0.9959 13.0753 13.0753 13.0854 13.0854 15.5057 15.5057 15.5227 15.5227 18.3644 18.3644 k = 0.5000 0.1895 1.0187 ( 1060 PWs) bands (ev): -15.1390 -15.1390 -15.1388 -15.1388 -1.4275 -1.4275 -1.3428 -1.3428 -0.6737 -0.6737 -0.5250 -0.5250 0.9190 0.9190 0.9883 0.9883 13.1614 13.1614 13.1718 13.1718 15.5160 15.5160 15.5337 15.5337 18.4508 18.4508 k = 0.5000 0.1895 1.0005 ( 1064 PWs) bands (ev): -15.1614 -15.1614 -15.1613 -15.1613 -1.4025 -1.4025 -1.3151 -1.3151 -0.6389 -0.6389 -0.4823 -0.4823 0.9063 0.9063 0.9810 0.9810 13.2473 13.2473 13.2579 13.2579 15.5343 15.5343 15.5526 15.5526 18.5356 18.5356 k = 0.5000 0.1895 0.9823 ( 1060 PWs) bands (ev): -15.1845 -15.1845 -15.1843 -15.1843 -1.3763 -1.3763 -1.2862 -1.2862 -0.6031 -0.6031 -0.4382 -0.4382 0.8936 0.8936 0.9740 0.9740 13.3324 13.3324 13.3432 13.3432 15.5611 15.5611 15.5798 15.5798 18.6186 18.6186 k = 0.5000 0.1895 0.9642 ( 1060 PWs) bands (ev): -15.2082 -15.2082 -15.2080 -15.2080 -1.3490 -1.3490 -1.2562 -1.2562 -0.5663 -0.5663 -0.3928 -0.3928 0.8810 0.8810 0.9676 0.9676 13.4162 13.4162 13.4271 13.4271 15.5965 15.5965 15.6156 15.6156 18.6994 18.6994 k = 0.5000 0.1895 0.9460 ( 1062 PWs) bands (ev): -15.2324 -15.2324 -15.2322 -15.2322 -1.3205 -1.3205 -1.2251 -1.2251 -0.5286 -0.5286 -0.3461 -0.3461 0.8686 0.8686 0.9618 0.9618 13.4982 13.4982 13.5089 13.5089 15.6408 15.6408 15.6601 15.6601 18.7779 18.7779 k = 0.5000 0.1895 0.9278 ( 1060 PWs) bands (ev): -15.2572 -15.2572 -15.2570 -15.2570 -1.2910 -1.2910 -1.1931 -1.1931 -0.4903 -0.4903 -0.2983 -0.2983 0.8565 0.8565 0.9569 0.9569 13.5778 13.5778 13.5883 13.5883 15.6940 15.6940 15.7134 15.7134 18.8538 18.8538 k = 0.5000 0.1895 0.9096 ( 1060 PWs) bands (ev): -15.2824 -15.2824 -15.2822 -15.2822 -1.2605 -1.2605 -1.1602 -1.1602 -0.4513 -0.4513 -0.2493 -0.2493 0.8448 0.8448 0.9530 0.9530 13.6548 13.6548 13.6649 13.6649 15.7561 15.7561 15.7754 15.7754 18.9267 18.9267 k = 0.5000 0.1895 0.8914 ( 1064 PWs) bands (ev): -15.3081 -15.3081 -15.3079 -15.3079 -1.2291 -1.2291 -1.1264 -1.1264 -0.4118 -0.4118 -0.1994 -0.1994 0.8338 0.8338 0.9502 0.9502 13.7289 13.7289 13.7385 13.7385 15.8267 15.8267 15.8458 15.8458 18.9963 18.9963 k = 0.5000 0.1895 0.8732 ( 1064 PWs) bands (ev): -15.3341 -15.3341 -15.3340 -15.3340 -1.1969 -1.1969 -1.0919 -1.0919 -0.3719 -0.3719 -0.1485 -0.1485 0.8235 0.8235 0.9488 0.9488 13.7999 13.7999 13.8089 13.8089 15.9052 15.9052 15.9239 15.9239 19.0620 19.0620 k = 0.5000 0.1895 0.8550 ( 1064 PWs) bands (ev): -15.3605 -15.3605 -15.3603 -15.3603 -1.1639 -1.1639 -1.0568 -1.0568 -0.3318 -0.3318 -0.0969 -0.0969 0.8142 0.8142 0.9490 0.9490 13.8681 13.8681 13.8764 13.8764 15.9908 15.9908 16.0090 16.0090 19.1234 19.1234 k = 0.5000 0.1895 0.8368 ( 1064 PWs) bands (ev): -15.3872 -15.3872 -15.3870 -15.3870 -1.1304 -1.1304 -1.0212 -1.0212 -0.2915 -0.2915 -0.0446 -0.0446 0.8062 0.8062 0.9510 0.9510 13.9334 13.9334 13.9409 13.9409 16.0825 16.0825 16.1001 16.1001 19.1798 19.1798 k = 0.5000 0.1895 0.8186 ( 1064 PWs) bands (ev): -15.4141 -15.4141 -15.4139 -15.4139 -1.0964 -1.0964 -0.9853 -0.9853 -0.2512 -0.2512 0.0080 0.0080 0.7996 0.7996 0.9551 0.9551 13.9962 13.9962 14.0028 14.0028 16.1788 16.1788 16.1957 16.1957 19.2304 19.2304 k = 0.5000 0.1895 0.8004 ( 1060 PWs) bands (ev): -15.4412 -15.4412 -15.4410 -15.4410 -1.0620 -1.0620 -0.9493 -0.9493 -0.2110 -0.2110 0.0609 0.0609 0.7948 0.7948 0.9614 0.9614 14.0567 14.0567 14.0625 14.0625 16.2781 16.2781 16.2943 16.2943 19.2744 19.2744 k = 0.5000 0.1895 0.7822 ( 1060 PWs) bands (ev): -15.4685 -15.4685 -15.4683 -15.4683 -1.0275 -1.0275 -0.9134 -0.9134 -0.1708 -0.1708 0.1138 0.1138 0.7922 0.7922 0.9703 0.9703 14.1152 14.1152 14.1201 14.1201 16.3786 16.3786 16.3940 16.3940 19.3108 19.3108 k = 0.5000 0.1895 0.7640 ( 1060 PWs) bands (ev): -15.4958 -15.4958 -15.4957 -15.4957 -0.9929 -0.9929 -0.8777 -0.8777 -0.1309 -0.1309 0.1663 0.1663 0.7922 0.7922 0.9818 0.9818 14.1722 14.1722 14.1762 14.1762 16.4781 16.4781 16.4927 16.4927 19.3388 19.3388 k = 0.5000 0.1895 0.7459 ( 1060 PWs) bands (ev): -15.5233 -15.5233 -15.5231 -15.5231 -0.9586 -0.9586 -0.8427 -0.8427 -0.0911 -0.0911 0.2179 0.2179 0.7953 0.7953 0.9962 0.9962 14.2278 14.2278 14.2311 14.2311 16.5741 16.5741 16.5879 16.5879 19.3577 19.3577 k = 0.5000 0.1895 0.7277 ( 1060 PWs) bands (ev): -15.5507 -15.5507 -15.5505 -15.5505 -0.9246 -0.9246 -0.8085 -0.8085 -0.0515 -0.0515 0.2684 0.2684 0.8021 0.8021 1.0136 1.0136 14.2824 14.2824 14.2850 14.2850 16.6639 16.6639 16.6770 16.6770 19.3673 19.3673 k = 0.5000 0.1895 0.7095 ( 1062 PWs) bands (ev): -15.5781 -15.5781 -15.5779 -15.5779 -0.8913 -0.8913 -0.7754 -0.7754 -0.0119 -0.0119 0.3171 0.3171 0.8132 0.8132 1.0342 1.0342 14.3363 14.3363 14.3382 14.3382 16.7445 16.7445 16.7569 16.7569 19.3678 19.3678 k = 0.5000 0.1895 0.6913 ( 1062 PWs) bands (ev): -15.6054 -15.6054 -15.6053 -15.6053 -0.8588 -0.8588 -0.7437 -0.7437 0.0278 0.0278 0.3636 0.3636 0.8293 0.8293 1.0580 1.0580 14.3894 14.3894 14.3908 14.3908 16.8128 16.8128 16.8246 16.8246 19.3601 19.3601 k = 0.5000 0.1895 0.6731 ( 1054 PWs) bands (ev): -15.6326 -15.6326 -15.6324 -15.6324 -0.8273 -0.8273 -0.7136 -0.7136 0.0678 0.0678 0.4074 0.4074 0.8511 0.8511 1.0851 1.0851 14.4421 14.4421 14.4431 14.4431 16.8659 16.8659 16.8773 16.8773 19.3455 19.3455 k = 0.5000 0.1895 0.6549 ( 1054 PWs) bands (ev): -15.6596 -15.6596 -15.6595 -15.6595 -0.7971 -0.7971 -0.6856 -0.6856 0.1082 0.1082 0.4482 0.4482 0.8787 0.8787 1.1154 1.1154 14.4942 14.4942 14.4949 14.4949 16.9013 16.9013 16.9124 16.9124 19.3251 19.3251 k = 0.5000 0.1895 0.6367 ( 1054 PWs) bands (ev): -15.6864 -15.6864 -15.6863 -15.6863 -0.7684 -0.7684 -0.6598 -0.6598 0.1492 0.1492 0.4861 0.4861 0.9123 0.9123 1.1487 1.1487 14.5456 14.5456 14.5463 14.5463 16.9171 16.9171 16.9283 16.9283 19.2992 19.2992 k = 0.5000 0.1895 0.6185 ( 1054 PWs) bands (ev): -15.7130 -15.7130 -15.7129 -15.7129 -0.7415 -0.7415 -0.6364 -0.6364 0.1912 0.1912 0.5214 0.5214 0.9517 0.9517 1.1849 1.1849 14.5963 14.5963 14.5970 14.5970 16.9127 16.9127 16.9243 16.9243 19.2671 19.2671 k = 0.5000 0.1895 0.6003 ( 1054 PWs) bands (ev): -15.7393 -15.7393 -15.7391 -15.7391 -0.7164 -0.7164 -0.6155 -0.6155 0.2342 0.2342 0.5548 0.5548 0.9962 0.9962 1.2240 1.2240 14.6459 14.6459 14.6470 14.6470 16.8887 16.8887 16.9012 16.9012 19.2270 19.2270 k = 0.5000 0.1895 0.5821 ( 1054 PWs) bands (ev): -15.7652 -15.7652 -15.7651 -15.7651 -0.6934 -0.6934 -0.5973 -0.5973 0.2785 0.2785 0.5870 0.5870 1.0450 1.0450 1.2655 1.2655 14.6941 14.6941 14.6957 14.6957 16.8468 16.8468 16.8605 16.8605 19.1767 19.1767 k = 0.5000 0.1895 0.5639 ( 1056 PWs) bands (ev): -15.7908 -15.7908 -15.7907 -15.7907 -0.6726 -0.6726 -0.5817 -0.5817 0.3240 0.3240 0.6187 0.6187 1.0975 1.0975 1.3093 1.3093 14.7401 14.7401 14.7428 14.7428 16.7894 16.7894 16.8050 16.8050 19.1148 19.1148 k = 0.5000 0.1895 0.5457 ( 1054 PWs) bands (ev): -15.8160 -15.8160 -15.8158 -15.8158 -0.6540 -0.6540 -0.5688 -0.5688 0.3710 0.3710 0.6506 0.6506 1.1529 1.1529 1.3552 1.3552 14.7834 14.7834 14.7873 14.7873 16.7197 16.7197 16.7378 16.7378 19.0408 19.0408 k = 0.5000 0.1895 0.5276 ( 1050 PWs) bands (ev): -15.8407 -15.8407 -15.8405 -15.8405 -0.6377 -0.6377 -0.5583 -0.5583 0.4193 0.4193 0.6832 0.6832 1.2104 1.2104 1.4029 1.4029 14.8227 14.8227 14.8285 14.8285 16.6411 16.6411 16.6623 16.6623 18.9557 18.9557 k = 0.5000 0.1895 0.5094 ( 1046 PWs) bands (ev): -15.8649 -15.8649 -15.8647 -15.8647 -0.6237 -0.6237 -0.5502 -0.5502 0.4688 0.4688 0.7170 0.7170 1.2696 1.2696 1.4520 1.4520 14.8570 14.8570 14.8652 14.8652 16.5572 16.5572 16.5823 16.5823 18.8615 18.8615 k = 0.5000 0.1895 0.4912 ( 1046 PWs) bands (ev): -15.8886 -15.8886 -15.8884 -15.8884 -0.6120 -0.6120 -0.5443 -0.5443 0.5195 0.5195 0.7520 0.7520 1.3298 1.3298 1.5024 1.5024 14.8846 14.8846 14.8957 14.8957 16.4715 16.4715 16.5013 16.5013 18.7607 18.7607 k = 0.5000 0.1895 0.4730 ( 1046 PWs) bands (ev): -15.9117 -15.9117 -15.9116 -15.9116 -0.6024 -0.6024 -0.5404 -0.5404 0.5711 0.5711 0.7883 0.7883 1.3908 1.3908 1.5537 1.5537 14.9037 14.9037 14.9183 14.9183 16.3876 16.3876 16.4227 16.4227 18.6559 18.6559 k = 0.5000 0.1895 0.4548 ( 1046 PWs) bands (ev): -15.9343 -15.9343 -15.9341 -15.9341 -0.5948 -0.5948 -0.5383 -0.5383 0.6236 0.6236 0.8260 0.8260 1.4522 1.4522 1.6056 1.6056 14.9123 14.9123 14.9308 14.9308 16.3089 16.3089 16.3501 16.3501 18.5494 18.5494 k = 0.5000 0.1895 0.4366 ( 1046 PWs) bands (ev): -15.9562 -15.9562 -15.9561 -15.9561 -0.5890 -0.5890 -0.5378 -0.5378 0.6767 0.6767 0.8650 0.8650 1.5137 1.5137 1.6580 1.6580 14.9083 14.9083 14.9310 14.9310 16.2387 16.2387 16.2863 16.2863 18.4436 18.4436 k = 0.5000 0.1895 0.4184 ( 1046 PWs) bands (ev): -15.9775 -15.9775 -15.9774 -15.9774 -0.5850 -0.5850 -0.5387 -0.5387 0.7302 0.7302 0.9050 0.9050 1.5749 1.5749 1.7106 1.7106 14.8904 14.8904 14.9171 14.9171 16.1797 16.1797 16.2335 16.2335 18.3402 18.3402 k = 0.5000 0.1895 0.4002 ( 1046 PWs) bands (ev): -15.9981 -15.9981 -15.9979 -15.9979 -0.5825 -0.5825 -0.5407 -0.5407 0.7838 0.7838 0.9460 0.9460 1.6358 1.6358 1.7631 1.7631 14.8579 14.8579 14.8880 14.8880 16.1332 16.1332 16.1929 16.1929 18.2412 18.2412 k = 0.5000 0.1895 0.3820 ( 1046 PWs) bands (ev): -16.0179 -16.0179 -16.0178 -16.0178 -0.5813 -0.5813 -0.5437 -0.5437 0.8374 0.8374 0.9875 0.9875 1.6959 1.6959 1.8152 1.8152 14.8113 14.8113 14.8438 14.8438 16.0995 16.0995 16.1640 16.1640 18.1481 18.1481 k = 0.5000 0.1895 0.3638 ( 1042 PWs) bands (ev): -16.0371 -16.0371 -16.0370 -16.0370 -0.5812 -0.5812 -0.5475 -0.5475 0.8906 0.8906 1.0295 1.0295 1.7552 1.7552 1.8669 1.8669 14.7521 14.7521 14.7860 14.7860 16.0770 16.0770 16.1452 16.1452 18.0625 18.0625 k = 0.5000 0.1895 0.3456 ( 1040 PWs) bands (ev): -16.0554 -16.0554 -16.0553 -16.0553 -0.5822 -0.5822 -0.5520 -0.5520 0.9434 0.9434 1.0717 1.0717 1.8133 1.8133 1.9177 1.9177 14.6827 14.6827 14.7169 14.7169 16.0632 16.0632 16.1339 16.1339 17.9855 17.9855 k = 0.5000 0.1895 0.3274 ( 1044 PWs) bands (ev): -16.0730 -16.0730 -16.0729 -16.0729 -0.5840 -0.5840 -0.5569 -0.5569 0.9953 0.9953 1.1136 1.1136 1.8701 1.8701 1.9675 1.9675 14.6056 14.6056 14.6394 14.6394 16.0551 16.0551 16.1273 16.1273 17.9187 17.9187 k = 0.5000 0.1895 0.3093 ( 1044 PWs) bands (ev): -16.0898 -16.0898 -16.0897 -16.0897 -0.5864 -0.5864 -0.5623 -0.5623 1.0462 1.0462 1.1551 1.1551 1.9254 1.9254 2.0160 2.0160 14.5234 14.5234 14.5561 14.5561 16.0499 16.0499 16.1225 16.1225 17.8629 17.8629 k = 0.5000 0.1895 0.2911 ( 1040 PWs) bands (ev): -16.1057 -16.1057 -16.1056 -16.1056 -0.5894 -0.5894 -0.5679 -0.5679 1.0958 1.0958 1.1960 1.1960 1.9790 1.9790 2.0632 2.0632 14.4383 14.4383 14.4696 14.4696 16.0449 16.0449 16.1170 16.1170 17.8191 17.8191 k = 0.5000 0.1895 0.2729 ( 1044 PWs) bands (ev): -16.1208 -16.1208 -16.1207 -16.1207 -0.5928 -0.5928 -0.5736 -0.5736 1.1440 1.1440 1.2358 1.2358 2.0307 2.0307 2.1085 2.1085 14.3522 14.3522 14.3818 14.3818 16.0382 16.0382 16.1088 16.1088 17.7857 17.7857 k = 0.5000 0.1895 0.2547 ( 1042 PWs) bands (ev): -16.1350 -16.1350 -16.1349 -16.1349 -0.5964 -0.5964 -0.5794 -0.5794 1.1905 1.1905 1.2744 1.2744 2.0802 2.0802 2.1520 2.1520 14.2667 14.2667 14.2945 14.2945 16.0286 16.0286 16.0969 16.0969 17.7650 17.7650 k = 0.5000 0.1895 0.2365 ( 1042 PWs) bands (ev): -16.1483 -16.1483 -16.1482 -16.1482 -0.6002 -0.6002 -0.5852 -0.5852 1.2350 1.2350 1.3114 1.3114 2.1275 2.1275 2.1935 2.1935 14.1831 14.1831 14.2090 14.2090 16.0154 16.0154 16.0806 16.0806 17.7568 17.7568 k = 0.5000 0.1895 0.2183 ( 1042 PWs) bands (ev): -16.1607 -16.1607 -16.1606 -16.1606 -0.6041 -0.6041 -0.5908 -0.5908 1.2774 1.2774 1.3467 1.3467 2.1723 2.1723 2.2326 2.2326 14.1026 14.1026 14.1265 14.1265 15.9988 15.9988 16.0601 16.0601 17.7603 17.7603 k = 0.5000 0.1895 0.2001 ( 1046 PWs) bands (ev): -16.1721 -16.1721 -16.1721 -16.1721 -0.6079 -0.6079 -0.5962 -0.5962 1.3174 1.3174 1.3799 1.3799 2.2145 2.2145 2.2692 2.2692 14.0259 14.0259 14.0478 14.0478 15.9792 15.9792 16.0361 16.0361 17.7738 17.7738 k = 0.5000 0.1895 0.1819 ( 1046 PWs) bands (ev): -16.1826 -16.1826 -16.1826 -16.1826 -0.6116 -0.6116 -0.6014 -0.6014 1.3549 1.3549 1.4108 1.4108 2.2538 2.2538 2.3031 2.3031 13.9538 13.9538 13.9738 13.9738 15.9574 15.9574 16.0095 16.0095 17.7956 17.7956 k = 0.5000 0.1895 0.1637 ( 1046 PWs) bands (ev): -16.1922 -16.1922 -16.1921 -16.1921 -0.6151 -0.6151 -0.6063 -0.6063 1.3897 1.3897 1.4394 1.4394 2.2902 2.2902 2.3342 2.3342 13.8871 13.8871 13.9051 13.9051 15.9343 15.9343 15.9814 15.9814 17.8237 17.8237 k = 0.5000 0.1895 0.1455 ( 1046 PWs) bands (ev): -16.2007 -16.2007 -16.2007 -16.2007 -0.6184 -0.6184 -0.6108 -0.6108 1.4216 1.4216 1.4652 1.4652 2.3234 2.3234 2.3623 2.3623 13.8262 13.8262 13.8422 13.8422 15.9110 15.9110 15.9529 15.9529 17.8562 17.8562 k = 0.5000 0.1895 0.1273 ( 1046 PWs) bands (ev): -16.2083 -16.2083 -16.2083 -16.2083 -0.6214 -0.6214 -0.6149 -0.6149 1.4504 1.4504 1.4882 1.4882 2.3534 2.3534 2.3872 2.3872 13.7716 13.7716 13.7856 13.7856 15.8885 15.8885 15.9251 15.9251 17.8910 17.8910 k = 0.5000 0.1895 0.1091 ( 1050 PWs) bands (ev): -16.2149 -16.2149 -16.2149 -16.2149 -0.6241 -0.6241 -0.6186 -0.6186 1.4760 1.4760 1.5081 1.5081 2.3800 2.3800 2.4088 2.4088 13.7237 13.7237 13.7357 13.7357 15.8675 15.8675 15.8989 15.8989 17.9261 17.9262 k = 0.5000 0.1895 0.0910 ( 1050 PWs) bands (ev): -16.2205 -16.2205 -16.2205 -16.2205 -0.6263 -0.6263 -0.6219 -0.6219 1.4983 1.4983 1.5248 1.5248 2.4030 2.4030 2.4269 2.4269 13.6827 13.6827 13.6927 13.6927 15.8490 15.8490 15.8750 15.8750 17.9593 17.9593 k = 0.5000 0.1895 0.0728 ( 1048 PWs) bands (ev): -16.2251 -16.2251 -16.2251 -16.2251 -0.6281 -0.6281 -0.6246 -0.6246 1.5172 1.5172 1.5383 1.5383 2.4225 2.4225 2.4415 2.4415 13.6491 13.6491 13.6571 13.6571 15.8334 15.8334 15.8542 15.8542 17.9894 17.9894 k = 0.5000 0.1895 0.0546 ( 1056 PWs) bands (ev): -16.2287 -16.2287 -16.2287 -16.2287 -0.6294 -0.6294 -0.6269 -0.6269 1.5325 1.5325 1.5482 1.5482 2.4381 2.4381 2.4524 2.4524 13.6228 13.6228 13.6289 13.6289 15.8214 15.8214 15.8369 15.8369 18.0149 18.0149 k = 0.5000 0.1895 0.0364 ( 1060 PWs) bands (ev): -16.2313 -16.2313 -16.2313 -16.2313 -0.6303 -0.6303 -0.6286 -0.6286 1.5442 1.5442 1.5546 1.5546 2.4501 2.4501 2.4596 2.4596 13.6043 13.6043 13.6083 13.6083 15.8132 15.8132 15.8236 15.8236 18.0343 18.0343 k = 0.5000 0.1895 0.0182 ( 1064 PWs) bands (ev): -16.2328 -16.2328 -16.2328 -16.2328 -0.6307 -0.6307 -0.6298 -0.6298 1.5522 1.5522 1.5575 1.5575 2.4582 2.4582 2.4629 2.4629 13.5935 13.5935 13.5955 13.5955 15.8093 15.8093 15.8144 15.8144 18.0465 18.0465 k = 0.5000 0.1895-0.0000 ( 1064 PWs) bands (ev): -16.2333 -16.2333 -16.2333 -16.2333 -0.6305 -0.6305 -0.6305 -0.6305 1.5567 1.5567 1.5567 1.5567 2.4625 2.4625 2.4625 2.4625 13.5906 13.5906 13.5906 13.5906 15.8096 15.8096 15.8096 15.8096 18.0508 18.0508 k = 0.0000 0.0000 1.4111 ( 1044 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6552 -1.6552 -1.6552 -1.6552 -1.0382 -1.0382 -1.0382 -1.0382 1.0909 1.0909 1.0909 1.0909 12.0165 12.0165 12.0165 12.0165 16.4334 16.4334 16.4334 16.4334 16.5507 16.5507 k = 0.0167 0.0063 1.4111 ( 1046 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6637 -1.6637 -1.6465 -1.6465 -1.0505 -1.0505 -1.0262 -1.0262 1.0871 1.0871 1.0947 1.0947 12.0168 12.0168 12.0174 12.0174 16.3416 16.3416 16.3608 16.3608 16.6276 16.6276 k = 0.0333 0.0126 1.4111 ( 1048 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6718 -1.6718 -1.6375 -1.6375 -1.0630 -1.0630 -1.0146 -1.0146 1.0832 1.0832 1.0984 1.0984 12.0184 12.0184 12.0196 12.0196 16.2242 16.2242 16.2440 16.2440 16.7590 16.7590 k = 0.0500 0.0189 1.4111 ( 1048 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -1.6795 -1.6795 -1.6283 -1.6283 -1.0754 -1.0754 -1.0033 -1.0033 1.0794 1.0794 1.1020 1.1020 12.0212 12.0212 12.0230 12.0230 16.1099 16.1099 16.1291 16.1291 16.8987 16.8987 k = 0.0667 0.0253 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.6868 -1.6868 -1.6192 -1.6192 -1.0879 -1.0879 -0.9927 -0.9927 1.0757 1.0757 1.1053 1.1053 12.0250 12.0250 12.0274 12.0274 16.0013 16.0013 16.0198 16.0198 17.0426 17.0426 k = 0.0833 0.0316 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.6935 -1.6935 -1.6100 -1.6100 -1.1000 -1.1000 -0.9826 -0.9826 1.0721 1.0721 1.1085 1.1085 12.0298 12.0298 12.0328 12.0328 15.8998 15.8998 15.9174 15.9174 17.1891 17.1891 k = 0.1000 0.0379 1.4111 ( 1058 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.6997 -1.6997 -1.6010 -1.6010 -1.1118 -1.1118 -0.9733 -0.9733 1.0687 1.0687 1.1115 1.1115 12.0352 12.0352 12.0388 12.0388 15.8057 15.8057 15.8225 15.8225 17.3368 17.3368 k = 0.1167 0.0442 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7053 -1.7053 -1.5923 -1.5923 -1.1231 -1.1231 -0.9648 -0.9648 1.0655 1.0655 1.1143 1.1143 12.0412 12.0412 12.0453 12.0453 15.7199 15.7199 15.7359 15.7359 17.4844 17.4844 k = 0.1333 0.0505 1.4111 ( 1058 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7104 -1.7104 -1.5841 -1.5841 -1.1337 -1.1337 -0.9570 -0.9570 1.0625 1.0625 1.1167 1.1167 12.0473 12.0473 12.0519 12.0519 15.6427 15.6427 15.6580 15.6580 17.6299 17.6299 k = 0.1500 0.0568 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7148 -1.7148 -1.5764 -1.5764 -1.1434 -1.1434 -0.9502 -0.9502 1.0599 1.0599 1.1189 1.1189 12.0534 12.0534 12.0585 12.0585 15.5747 15.5747 15.5893 15.5893 17.7710 17.7710 k = 0.1667 0.0632 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7185 -1.7185 -1.5695 -1.5695 -1.1521 -1.1521 -0.9444 -0.9444 1.0576 1.0576 1.1208 1.1208 12.0592 12.0592 12.0646 12.0646 15.5163 15.5163 15.5303 15.5303 17.9044 17.9044 k = 0.1833 0.0695 1.4111 ( 1054 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7216 -1.7216 -1.5636 -1.5636 -1.1595 -1.1595 -0.9395 -0.9395 1.0557 1.0557 1.1224 1.1224 12.0643 12.0643 12.0701 12.0701 15.4679 15.4679 15.4814 15.4814 18.0263 18.0263 k = 0.2000 0.0758 1.4111 ( 1058 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7241 -1.7241 -1.5587 -1.5587 -1.1656 -1.1656 -0.9357 -0.9357 1.0542 1.0542 1.1236 1.1236 12.0686 12.0686 12.0747 12.0747 15.4298 15.4298 15.4430 15.4430 18.1312 18.1312 k = 0.2167 0.0821 1.4111 ( 1052 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7258 -1.7258 -1.5551 -1.5551 -1.1700 -1.1700 -0.9329 -0.9329 1.0531 1.0531 1.1245 1.1245 12.0719 12.0719 12.0781 12.0781 15.4024 15.4024 15.4153 15.4153 18.2132 18.2132 k = 0.2333 0.0884 1.4111 ( 1052 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7268 -1.7268 -1.5529 -1.5529 -1.1727 -1.1727 -0.9313 -0.9313 1.0524 1.0524 1.1250 1.1250 12.0739 12.0739 12.0802 12.0802 15.3859 15.3859 15.3986 15.3986 18.2657 18.2657 k = 0.2500 0.0947 1.4111 ( 1052 PWs) bands (ev): -14.8808 -14.8808 -14.8807 -14.8807 -1.7272 -1.7272 -1.5521 -1.5521 -1.1737 -1.1737 -0.9307 -0.9307 1.0522 1.0522 1.1252 1.1252 12.0746 12.0746 12.0810 12.0810 15.3804 15.3804 15.3930 15.3930 18.2839 18.2839 Writing output data file Rb.save init_run : 0.11s CPU 0.26s WALL ( 1 calls) electrons : 83.67s CPU 85.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 83.66s CPU 85.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 460 calls) cegterg : 73.61s CPU 74.65s WALL ( 513 calls) Called by sum_band: Called by *egterg: h_psi : 51.71s CPU 52.49s WALL ( 9035 calls) s_psi : 1.10s CPU 1.05s WALL ( 9035 calls) g_psi : 0.04s CPU 0.04s WALL ( 8062 calls) cdiaghg : 24.30s CPU 24.48s WALL ( 8522 calls) cegterg:over : 1.20s CPU 1.32s WALL ( 8062 calls) cegterg:upda : 0.81s CPU 0.94s WALL ( 8062 calls) cegterg:last : 0.46s CPU 0.48s WALL ( 1433 calls) cdiaghg:chol : 1.25s CPU 1.24s WALL ( 8522 calls) cdiaghg:inve : 0.46s CPU 0.38s WALL ( 8522 calls) cdiaghg:para : 1.61s CPU 1.63s WALL ( 17044 calls) Called by h_psi: h_psi:vloc : 49.32s CPU 50.03s WALL ( 9035 calls) h_psi:vnl : 2.36s CPU 2.43s WALL ( 9035 calls) add_vuspsi : 1.32s CPU 1.39s WALL ( 9035 calls) General routines calbec : 1.00s CPU 1.01s WALL ( 9035 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.20s CPU 46.92s WALL ( 487712 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 920 calls) Parallel routines fft_scatter : 13.16s CPU 13.48s WALL ( 487735 calls) PWSCF : 1m32.14s CPU 2m 6.74s WALL This run was terminated on: 21:14: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=