Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:18: 9 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: ./Zr2H2Pd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 117 50 15 2604 732 120 Max 118 51 16 2606 750 122 Sum 4237 1821 543 93781 26697 4353 bravais-lattice index = 14 lattice parameter (alat) = 11.8281 a.u. unit-cell volume = 436.3704 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.828117 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.857626 celldm(5)= -0.857626 celldm(6)= 0.715253 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.715253 0.698866 0.000000 ) a(3) = ( -0.857626 -0.349433 0.377324 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.023448 1.325120 ) b(2) = ( 0.000000 1.430890 1.325120 ) b(3) = ( 0.000000 0.000000 2.650241 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) H 1.00 1.00790 H( 1.00) Pd 18.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0000000 0.0197779), wk = 0.0024752 k( 3) = ( 0.0000000 0.0000000 0.0395558), wk = 0.0024752 k( 4) = ( 0.0000000 0.0000000 0.0593337), wk = 0.0024752 k( 5) = ( 0.0000000 0.0000000 0.0791117), wk = 0.0024752 k( 6) = ( 0.0000000 0.0000000 0.0988896), wk = 0.0024752 k( 7) = ( 0.0000000 0.0000000 0.1186675), wk = 0.0024752 k( 8) = ( 0.0000000 0.0000000 0.1384454), wk = 0.0024752 k( 9) = ( 0.0000000 0.0000000 0.1582233), wk = 0.0024752 k( 10) = ( 0.0000000 0.0000000 0.1780012), wk = 0.0024752 k( 11) = ( 0.0000000 0.0000000 0.1977792), wk = 0.0024752 k( 12) = ( 0.0000000 0.0000000 0.2175571), wk = 0.0024752 k( 13) = ( 0.0000000 0.0000000 0.2373350), wk = 0.0024752 k( 14) = ( 0.0000000 0.0000000 0.2571129), wk = 0.0024752 k( 15) = ( 0.0000000 0.0000000 0.2768908), wk = 0.0024752 k( 16) = ( 0.0000000 0.0000000 0.2966687), wk = 0.0024752 k( 17) = ( 0.0000000 0.0000000 0.3164466), wk = 0.0024752 k( 18) = ( 0.0000000 0.0000000 0.3362245), wk = 0.0024752 k( 19) = ( 0.0000000 0.0000000 0.3560025), wk = 0.0024752 k( 20) = ( 0.0000000 0.0000000 0.3757804), wk = 0.0024752 k( 21) = ( 0.0000000 0.0000000 0.3955583), wk = 0.0024752 k( 22) = ( 0.0000000 0.0000000 0.4153362), wk = 0.0024752 k( 23) = ( 0.0000000 0.0000000 0.4351141), wk = 0.0024752 k( 24) = ( 0.0000000 0.0000000 0.4548920), wk = 0.0024752 k( 25) = ( 0.0000000 0.0000000 0.4746700), wk = 0.0024752 k( 26) = ( 0.0000000 0.0000000 0.4944479), wk = 0.0024752 k( 27) = ( 0.0000000 0.0000000 0.5142258), wk = 0.0024752 k( 28) = ( 0.0000000 0.0000000 0.5340037), wk = 0.0024752 k( 29) = ( 0.0000000 0.0000000 0.5537816), wk = 0.0024752 k( 30) = ( 0.0000000 0.0000000 0.5735595), wk = 0.0024752 k( 31) = ( 0.0000000 0.0000000 0.5933374), wk = 0.0024752 k( 32) = ( 0.0000000 0.0000000 0.6131153), wk = 0.0024752 k( 33) = ( 0.0000000 0.0000000 0.6328933), wk = 0.0024752 k( 34) = ( 0.0000000 0.0000000 0.6526712), wk = 0.0024752 k( 35) = ( 0.0000000 0.0000000 0.6724491), wk = 0.0024752 k( 36) = ( 0.0000000 0.0000000 0.6922270), wk = 0.0024752 k( 37) = ( 0.0000000 0.0000000 0.7120049), wk = 0.0024752 k( 38) = ( 0.0000000 0.0000000 0.7317828), wk = 0.0024752 k( 39) = ( 0.0000000 0.0000000 0.7515608), wk = 0.0024752 k( 40) = ( 0.0000000 0.0000000 0.7713387), wk = 0.0024752 k( 41) = ( 0.0000000 0.0000000 0.7911166), wk = 0.0024752 k( 42) = ( 0.0000000 0.0000000 0.8108945), wk = 0.0024752 k( 43) = ( 0.0000000 0.0000000 0.8306724), wk = 0.0024752 k( 44) = ( 0.0000000 0.0000000 0.8504503), wk = 0.0024752 k( 45) = ( 0.0000000 0.0000000 0.8702282), wk = 0.0024752 k( 46) = ( 0.0000000 0.0000000 0.8900062), wk = 0.0024752 k( 47) = ( 0.0000000 0.0000000 0.9097841), wk = 0.0024752 k( 48) = ( 0.0000000 0.0000000 0.9295620), wk = 0.0024752 k( 49) = ( 0.0000000 0.0000000 0.9493399), wk = 0.0024752 k( 50) = ( 0.0000000 0.0000000 0.9691178), wk = 0.0024752 k( 51) = ( 0.0000000 0.0000000 0.9888957), wk = 0.0024752 k( 52) = ( 0.0000000 0.0000000 1.0086736), wk = 0.0024752 k( 53) = ( 0.0000000 0.0000000 1.0284516), wk = 0.0024752 k( 54) = ( 0.0000000 0.0000000 1.0482295), wk = 0.0024752 k( 55) = ( 0.0000000 0.0000000 1.0680074), wk = 0.0024752 k( 56) = ( 0.0000000 0.0000000 1.0877853), wk = 0.0024752 k( 57) = ( 0.0000000 0.0000000 1.1075632), wk = 0.0024752 k( 58) = ( 0.0000000 0.0000000 1.1273411), wk = 0.0024752 k( 59) = ( 0.0000000 0.0000000 1.1471190), wk = 0.0024752 k( 60) = ( 0.0000000 0.0000000 1.1668970), wk = 0.0024752 k( 61) = ( 0.0000000 0.0000000 1.1866749), wk = 0.0024752 k( 62) = ( 0.0000000 0.0000000 1.2064528), wk = 0.0024752 k( 63) = ( 0.0000000 0.0000000 1.2262307), wk = 0.0024752 k( 64) = ( 0.0000000 0.0000000 1.2460086), wk = 0.0024752 k( 65) = ( 0.0000000 0.0000000 1.2657865), wk = 0.0024752 k( 66) = ( 0.0000000 0.0000000 1.2855645), wk = 0.0024752 k( 67) = ( 0.0000000 0.0000000 1.3053424), wk = 0.0024752 k( 68) = ( 0.0000000 0.0000000 1.3251203), wk = 0.0024752 k( 69) = ( 0.0000000 0.0000000 1.3251203), wk = 0.0024752 k( 70) = ( -0.0069170 0.0169768 1.3251203), wk = 0.0024752 k( 71) = ( -0.0138341 0.0339535 1.3251203), wk = 0.0024752 k( 72) = ( -0.0207511 0.0509302 1.3251203), wk = 0.0024752 k( 73) = ( -0.0276681 0.0679070 1.3251203), wk = 0.0024752 k( 74) = ( -0.0345852 0.0848837 1.3251203), wk = 0.0024752 k( 75) = ( -0.0415022 0.1018605 1.3251203), wk = 0.0024752 k( 76) = ( -0.0415022 0.1018605 1.3251203), wk = 0.0024752 k( 77) = ( -0.0467124 0.1146481 1.3113120), wk = 0.0024752 k( 78) = ( -0.0519226 0.1274357 1.2975037), wk = 0.0024752 k( 79) = ( -0.0571328 0.1402233 1.2836954), wk = 0.0024752 k( 80) = ( -0.0623430 0.1530108 1.2698871), wk = 0.0024752 k( 81) = ( -0.0675532 0.1657984 1.2560788), wk = 0.0024752 k( 82) = ( -0.0727634 0.1785861 1.2422706), wk = 0.0024752 k( 83) = ( -0.0779736 0.1913736 1.2284623), wk = 0.0024752 k( 84) = ( -0.0831838 0.2041612 1.2146540), wk = 0.0024752 k( 85) = ( -0.0883940 0.2169488 1.2008457), wk = 0.0024752 k( 86) = ( -0.0936042 0.2297364 1.1870374), wk = 0.0024752 k( 87) = ( -0.0988144 0.2425240 1.1732291), wk = 0.0024752 k( 88) = ( -0.1040246 0.2553116 1.1594208), wk = 0.0024752 k( 89) = ( -0.1092348 0.2680992 1.1456125), wk = 0.0024752 k( 90) = ( -0.1144450 0.2808868 1.1318042), wk = 0.0024752 k( 91) = ( -0.1196553 0.2936744 1.1179959), wk = 0.0024752 k( 92) = ( -0.1248655 0.3064620 1.1041877), wk = 0.0024752 k( 93) = ( -0.1300756 0.3192496 1.0903794), wk = 0.0024752 k( 94) = ( -0.1352859 0.3320372 1.0765711), wk = 0.0024752 k( 95) = ( -0.1404961 0.3448248 1.0627628), wk = 0.0024752 k( 96) = ( -0.1457063 0.3576124 1.0489545), wk = 0.0024752 k( 97) = ( -0.1509165 0.3704000 1.0351462), wk = 0.0024752 k( 98) = ( -0.1561267 0.3831876 1.0213379), wk = 0.0024752 k( 99) = ( -0.1613369 0.3959752 1.0075296), wk = 0.0024752 k( 100) = ( -0.1665471 0.4087628 0.9937213), wk = 0.0024752 k( 101) = ( -0.1717573 0.4215504 0.9799131), wk = 0.0024752 k( 102) = ( -0.1769675 0.4343380 0.9661048), wk = 0.0024752 k( 103) = ( -0.1821777 0.4471256 0.9522965), wk = 0.0024752 k( 104) = ( -0.1873879 0.4599132 0.9384882), wk = 0.0024752 k( 105) = ( -0.1925981 0.4727008 0.9246799), wk = 0.0024752 k( 106) = ( -0.1978083 0.4854884 0.9108716), wk = 0.0024752 k( 107) = ( -0.2030185 0.4982760 0.8970633), wk = 0.0024752 k( 108) = ( -0.2082287 0.5110636 0.8832550), wk = 0.0024752 k( 109) = ( -0.2134389 0.5238512 0.8694467), wk = 0.0024752 k( 110) = ( -0.2186491 0.5366388 0.8556385), wk = 0.0024752 k( 111) = ( -0.2238593 0.5494264 0.8418302), wk = 0.0024752 k( 112) = ( -0.2290695 0.5622140 0.8280219), wk = 0.0024752 k( 113) = ( -0.2342797 0.5750015 0.8142136), wk = 0.0024752 k( 114) = ( -0.2394899 0.5877891 0.8004053), wk = 0.0024752 k( 115) = ( -0.2447001 0.6005768 0.7865970), wk = 0.0024752 k( 116) = ( -0.2499103 0.6133643 0.7727887), wk = 0.0024752 k( 117) = ( -0.2551205 0.6261519 0.7589804), wk = 0.0024752 k( 118) = ( -0.2603307 0.6389395 0.7451721), wk = 0.0024752 k( 119) = ( -0.2655409 0.6517271 0.7313639), wk = 0.0024752 k( 120) = ( -0.2707511 0.6645147 0.7175556), wk = 0.0024752 k( 121) = ( -0.2707511 0.6645147 0.7175556), wk = 0.0024752 k( 122) = ( -0.2654423 0.6514850 0.7034858), wk = 0.0024752 k( 123) = ( -0.2601334 0.6384553 0.6894161), wk = 0.0024752 k( 124) = ( -0.2548246 0.6254256 0.6753464), wk = 0.0024752 k( 125) = ( -0.2495157 0.6123959 0.6612767), wk = 0.0024752 k( 126) = ( -0.2442069 0.5993662 0.6472070), wk = 0.0024752 k( 127) = ( -0.2388980 0.5863365 0.6331373), wk = 0.0024752 k( 128) = ( -0.2335892 0.5733068 0.6190675), wk = 0.0024752 k( 129) = ( -0.2282803 0.5602771 0.6049978), wk = 0.0024752 k( 130) = ( -0.2229715 0.5472474 0.5909281), wk = 0.0024752 k( 131) = ( -0.2176627 0.5342177 0.5768584), wk = 0.0024752 k( 132) = ( -0.2123538 0.5211880 0.5627887), wk = 0.0024752 k( 133) = ( -0.2070450 0.5081583 0.5487190), wk = 0.0024752 k( 134) = ( -0.2017361 0.4951286 0.5346492), wk = 0.0024752 k( 135) = ( -0.1964273 0.4820989 0.5205795), wk = 0.0024752 k( 136) = ( -0.1911184 0.4690692 0.5065098), wk = 0.0024752 k( 137) = ( -0.1858096 0.4560395 0.4924401), wk = 0.0024752 k( 138) = ( -0.1805007 0.4430098 0.4783704), wk = 0.0024752 k( 139) = ( -0.1751919 0.4299801 0.4643007), wk = 0.0024752 k( 140) = ( -0.1698831 0.4169504 0.4502309), wk = 0.0024752 k( 141) = ( -0.1645742 0.4039207 0.4361612), wk = 0.0024752 k( 142) = ( -0.1592654 0.3908910 0.4220915), wk = 0.0024752 k( 143) = ( -0.1539565 0.3778613 0.4080218), wk = 0.0024752 k( 144) = ( -0.1486477 0.3648316 0.3939521), wk = 0.0024752 k( 145) = ( -0.1433388 0.3518019 0.3798824), wk = 0.0024752 k( 146) = ( -0.1380300 0.3387722 0.3658127), wk = 0.0024752 k( 147) = ( -0.1327211 0.3257425 0.3517429), wk = 0.0024752 k( 148) = ( -0.1274123 0.3127128 0.3376732), wk = 0.0024752 k( 149) = ( -0.1221034 0.2996831 0.3236035), wk = 0.0024752 k( 150) = ( -0.1167946 0.2866534 0.3095338), wk = 0.0024752 k( 151) = ( -0.1114857 0.2736237 0.2954641), wk = 0.0024752 k( 152) = ( -0.1061769 0.2605940 0.2813943), wk = 0.0024752 k( 153) = ( -0.1008681 0.2475643 0.2673246), wk = 0.0024752 k( 154) = ( -0.0955592 0.2345346 0.2532549), wk = 0.0024752 k( 155) = ( -0.0902504 0.2215049 0.2391852), wk = 0.0024752 k( 156) = ( -0.0849415 0.2084752 0.2251155), wk = 0.0024752 k( 157) = ( -0.0796327 0.1954455 0.2110458), wk = 0.0024752 k( 158) = ( -0.0743238 0.1824158 0.1969760), wk = 0.0024752 k( 159) = ( -0.0690150 0.1693861 0.1829063), wk = 0.0024752 k( 160) = ( -0.0637061 0.1563564 0.1688366), wk = 0.0024752 k( 161) = ( -0.0583973 0.1433267 0.1547669), wk = 0.0024752 k( 162) = ( -0.0530885 0.1302970 0.1406972), wk = 0.0024752 k( 163) = ( -0.0477796 0.1172673 0.1266275), wk = 0.0024752 k( 164) = ( -0.0424708 0.1042376 0.1125577), wk = 0.0024752 k( 165) = ( -0.0371619 0.0912079 0.0984880), wk = 0.0024752 k( 166) = ( -0.0318531 0.0781782 0.0844183), wk = 0.0024752 k( 167) = ( -0.0265442 0.0651485 0.0703486), wk = 0.0024752 k( 168) = ( -0.0212354 0.0521188 0.0562789), wk = 0.0024752 k( 169) = ( -0.0159265 0.0390891 0.0422092), wk = 0.0024752 k( 170) = ( -0.0106177 0.0260594 0.0281394), wk = 0.0024752 k( 171) = ( -0.0053089 0.0130297 0.0140697), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 174) = ( 0.0178571 0.0072757 -0.0000000), wk = 0.0024752 k( 175) = ( 0.0357143 0.0145515 -0.0000000), wk = 0.0024752 k( 176) = ( 0.0535714 0.0218272 -0.0000000), wk = 0.0024752 k( 177) = ( 0.0714286 0.0291030 -0.0000000), wk = 0.0024752 k( 178) = ( 0.0892857 0.0363787 -0.0000000), wk = 0.0024752 k( 179) = ( 0.1071429 0.0436545 -0.0000000), wk = 0.0024752 k( 180) = ( 0.1250000 0.0509302 -0.0000000), wk = 0.0024752 k( 181) = ( 0.1428571 0.0582060 -0.0000000), wk = 0.0024752 k( 182) = ( 0.1607143 0.0654817 -0.0000000), wk = 0.0024752 k( 183) = ( 0.1785714 0.0727575 -0.0000000), wk = 0.0024752 k( 184) = ( 0.1964286 0.0800332 -0.0000000), wk = 0.0024752 k( 185) = ( 0.2142857 0.0873090 -0.0000000), wk = 0.0024752 k( 186) = ( 0.2321429 0.0945847 -0.0000000), wk = 0.0024752 k( 187) = ( 0.2500000 0.1018605 -0.0000000), wk = 0.0024752 k( 188) = ( 0.2678571 0.1091362 -0.0000000), wk = 0.0024752 k( 189) = ( 0.2857143 0.1164120 -0.0000000), wk = 0.0024752 k( 190) = ( 0.3035714 0.1236877 -0.0000000), wk = 0.0024752 k( 191) = ( 0.3214286 0.1309634 -0.0000000), wk = 0.0024752 k( 192) = ( 0.3392857 0.1382392 -0.0000000), wk = 0.0024752 k( 193) = ( 0.3571429 0.1455149 -0.0000000), wk = 0.0024752 k( 194) = ( 0.3750000 0.1527907 -0.0000000), wk = 0.0024752 k( 195) = ( 0.3928571 0.1600664 -0.0000000), wk = 0.0024752 k( 196) = ( 0.4107143 0.1673422 -0.0000000), wk = 0.0024752 k( 197) = ( 0.4285714 0.1746179 -0.0000000), wk = 0.0024752 k( 198) = ( 0.4464286 0.1818937 -0.0000000), wk = 0.0024752 k( 199) = ( 0.4642857 0.1891694 -0.0000000), wk = 0.0024752 k( 200) = ( 0.4821429 0.1964452 -0.0000000), wk = 0.0024752 k( 201) = ( 0.5000000 0.2037209 -0.0000000), wk = 0.0024752 k( 202) = ( 0.5000000 0.2037209 -0.0000000), wk = 0.0024752 k( 203) = ( 0.4947898 0.2165085 0.0138083), wk = 0.0024752 k( 204) = ( 0.4895796 0.2292961 0.0276166), wk = 0.0024752 k( 205) = ( 0.4843694 0.2420837 0.0414249), wk = 0.0024752 k( 206) = ( 0.4791592 0.2548713 0.0552332), wk = 0.0024752 k( 207) = ( 0.4739490 0.2676589 0.0690414), wk = 0.0024752 k( 208) = ( 0.4687388 0.2804465 0.0828497), wk = 0.0024752 k( 209) = ( 0.4635286 0.2932341 0.0966580), wk = 0.0024752 k( 210) = ( 0.4583184 0.3060217 0.1104663), wk = 0.0024752 k( 211) = ( 0.4531082 0.3188093 0.1242746), wk = 0.0024752 k( 212) = ( 0.4478980 0.3315969 0.1380829), wk = 0.0024752 k( 213) = ( 0.4426878 0.3443845 0.1518912), wk = 0.0024752 k( 214) = ( 0.4374776 0.3571721 0.1656995), wk = 0.0024752 k( 215) = ( 0.4322674 0.3699597 0.1795078), wk = 0.0024752 k( 216) = ( 0.4270572 0.3827473 0.1933160), wk = 0.0024752 k( 217) = ( 0.4218470 0.3955349 0.2071243), wk = 0.0024752 k( 218) = ( 0.4166368 0.4083225 0.2209326), wk = 0.0024752 k( 219) = ( 0.4114266 0.4211101 0.2347409), wk = 0.0024752 k( 220) = ( 0.4062164 0.4338977 0.2485492), wk = 0.0024752 k( 221) = ( 0.4010062 0.4466853 0.2623575), wk = 0.0024752 k( 222) = ( 0.3957960 0.4594729 0.2761658), wk = 0.0024752 k( 223) = ( 0.3905858 0.4722604 0.2899741), wk = 0.0024752 k( 224) = ( 0.3853756 0.4850481 0.3037824), wk = 0.0024752 k( 225) = ( 0.3801654 0.4978357 0.3175906), wk = 0.0024752 k( 226) = ( 0.3749552 0.5106232 0.3313989), wk = 0.0024752 k( 227) = ( 0.3697450 0.5234108 0.3452072), wk = 0.0024752 k( 228) = ( 0.3645348 0.5361984 0.3590155), wk = 0.0024752 k( 229) = ( 0.3593245 0.5489860 0.3728238), wk = 0.0024752 k( 230) = ( 0.3541143 0.5617736 0.3866321), wk = 0.0024752 k( 231) = ( 0.3489041 0.5745612 0.4004404), wk = 0.0024752 k( 232) = ( 0.3436939 0.5873488 0.4142487), wk = 0.0024752 k( 233) = ( 0.3384837 0.6001364 0.4280570), wk = 0.0024752 k( 234) = ( 0.3332735 0.6129240 0.4418653), wk = 0.0024752 k( 235) = ( 0.3280633 0.6257116 0.4556735), wk = 0.0024752 k( 236) = ( 0.3228531 0.6384992 0.4694818), wk = 0.0024752 k( 237) = ( 0.3176429 0.6512868 0.4832901), wk = 0.0024752 k( 238) = ( 0.3124327 0.6640744 0.4970984), wk = 0.0024752 k( 239) = ( 0.3072225 0.6768620 0.5109067), wk = 0.0024752 k( 240) = ( 0.3020123 0.6896496 0.5247150), wk = 0.0024752 k( 241) = ( 0.2968021 0.7024372 0.5385233), wk = 0.0024752 k( 242) = ( 0.2915919 0.7152248 0.5523315), wk = 0.0024752 k( 243) = ( 0.2863817 0.7280124 0.5661399), wk = 0.0024752 k( 244) = ( 0.2811715 0.7408000 0.5799481), wk = 0.0024752 k( 245) = ( 0.2759613 0.7535876 0.5937564), wk = 0.0024752 k( 246) = ( 0.2707511 0.7663752 0.6075647), wk = 0.0024752 k( 247) = ( 0.2707511 0.7663752 0.6075647), wk = 0.0024752 k( 248) = ( 0.2527010 0.7629798 0.6112311), wk = 0.0024752 k( 249) = ( 0.2346510 0.7595845 0.6148974), wk = 0.0024752 k( 250) = ( 0.2166009 0.7561891 0.6185638), wk = 0.0024752 k( 251) = ( 0.1985508 0.7527938 0.6222302), wk = 0.0024752 k( 252) = ( 0.1805007 0.7493985 0.6258965), wk = 0.0024752 k( 253) = ( 0.1624507 0.7460031 0.6295629), wk = 0.0024752 k( 254) = ( 0.1444006 0.7426078 0.6332293), wk = 0.0024752 k( 255) = ( 0.1263505 0.7392124 0.6368956), wk = 0.0024752 k( 256) = ( 0.1083004 0.7358171 0.6405620), wk = 0.0024752 k( 257) = ( 0.0902504 0.7324217 0.6442283), wk = 0.0024752 k( 258) = ( 0.0722003 0.7290264 0.6478947), wk = 0.0024752 k( 259) = ( 0.0541502 0.7256310 0.6515611), wk = 0.0024752 k( 260) = ( 0.0361001 0.7222357 0.6552274), wk = 0.0024752 k( 261) = ( 0.0180501 0.7188403 0.6588938), wk = 0.0024752 k( 262) = ( 0.0000000 0.7154450 0.6625601), wk = 0.0024752 k( 263) = ( 0.0000000 0.7154450 0.6625601), wk = 0.0024752 k( 264) = ( 0.0052083 0.7026620 0.6763635), wk = 0.0024752 k( 265) = ( 0.0104167 0.6898789 0.6901668), wk = 0.0024752 k( 266) = ( 0.0156250 0.6770959 0.7039701), wk = 0.0024752 k( 267) = ( 0.0208333 0.6643129 0.7177735), wk = 0.0024752 k( 268) = ( 0.0260417 0.6515299 0.7315768), wk = 0.0024752 k( 269) = ( 0.0312500 0.6387469 0.7453802), wk = 0.0024752 k( 270) = ( 0.0364583 0.6259639 0.7591835), wk = 0.0024752 k( 271) = ( 0.0416667 0.6131809 0.7729868), wk = 0.0024752 k( 272) = ( 0.0468750 0.6003979 0.7867902), wk = 0.0024752 k( 273) = ( 0.0520833 0.5876149 0.8005935), wk = 0.0024752 k( 274) = ( 0.0572917 0.5748318 0.8143968), wk = 0.0024752 k( 275) = ( 0.0625000 0.5620488 0.8282002), wk = 0.0024752 k( 276) = ( 0.0677083 0.5492658 0.8420035), wk = 0.0024752 k( 277) = ( 0.0729167 0.5364828 0.8558069), wk = 0.0024752 k( 278) = ( 0.0781250 0.5236998 0.8696102), wk = 0.0024752 k( 279) = ( 0.0833333 0.5109168 0.8834135), wk = 0.0024752 k( 280) = ( 0.0885417 0.4981338 0.8972169), wk = 0.0024752 k( 281) = ( 0.0937500 0.4853508 0.9110202), wk = 0.0024752 k( 282) = ( 0.0989583 0.4725678 0.9248235), wk = 0.0024752 k( 283) = ( 0.1041667 0.4597847 0.9386269), wk = 0.0024752 k( 284) = ( 0.1093750 0.4470017 0.9524302), wk = 0.0024752 k( 285) = ( 0.1145833 0.4342187 0.9662335), wk = 0.0024752 k( 286) = ( 0.1197917 0.4214357 0.9800369), wk = 0.0024752 k( 287) = ( 0.1250000 0.4086527 0.9938402), wk = 0.0024752 k( 288) = ( 0.1302083 0.3958697 1.0076435), wk = 0.0024752 k( 289) = ( 0.1354167 0.3830867 1.0214469), wk = 0.0024752 k( 290) = ( 0.1406250 0.3703037 1.0352502), wk = 0.0024752 k( 291) = ( 0.1458333 0.3575207 1.0490535), wk = 0.0024752 k( 292) = ( 0.1510417 0.3447377 1.0628569), wk = 0.0024752 k( 293) = ( 0.1562500 0.3319546 1.0766602), wk = 0.0024752 k( 294) = ( 0.1614583 0.3191716 1.0904636), wk = 0.0024752 k( 295) = ( 0.1666667 0.3063886 1.1042669), wk = 0.0024752 k( 296) = ( 0.1718750 0.2936056 1.1180702), wk = 0.0024752 k( 297) = ( 0.1770833 0.2808226 1.1318736), wk = 0.0024752 k( 298) = ( 0.1822917 0.2680396 1.1456769), wk = 0.0024752 k( 299) = ( 0.1875000 0.2552566 1.1594802), wk = 0.0024752 k( 300) = ( 0.1927083 0.2424736 1.1732836), wk = 0.0024752 k( 301) = ( 0.1979167 0.2296906 1.1870869), wk = 0.0024752 k( 302) = ( 0.2031250 0.2169076 1.2008903), wk = 0.0024752 k( 303) = ( 0.2083333 0.2041246 1.2146936), wk = 0.0024752 k( 304) = ( 0.2135417 0.1913415 1.2284969), wk = 0.0024752 k( 305) = ( 0.2187500 0.1785585 1.2423003), wk = 0.0024752 k( 306) = ( 0.2239583 0.1657755 1.2561036), wk = 0.0024752 k( 307) = ( 0.2291667 0.1529925 1.2699069), wk = 0.0024752 k( 308) = ( 0.2343750 0.1402095 1.2837103), wk = 0.0024752 k( 309) = ( 0.2395833 0.1274265 1.2975136), wk = 0.0024752 k( 310) = ( 0.2447917 0.1146435 1.3113170), wk = 0.0024752 k( 311) = ( 0.2500000 0.1018605 1.3251203), wk = 0.0024752 k( 312) = ( 0.2500000 0.1018605 1.3251203), wk = 0.0024752 k( 313) = ( 0.2666667 0.1086512 1.3177876), wk = 0.0024752 k( 314) = ( 0.2833333 0.1154419 1.3104548), wk = 0.0024752 k( 315) = ( 0.3000000 0.1222326 1.3031221), wk = 0.0024752 k( 316) = ( 0.3166667 0.1290233 1.2957894), wk = 0.0024752 k( 317) = ( 0.3333333 0.1358139 1.2884567), wk = 0.0024752 k( 318) = ( 0.3500000 0.1426046 1.2811239), wk = 0.0024752 k( 319) = ( 0.3666667 0.1493953 1.2737912), wk = 0.0024752 k( 320) = ( 0.3833333 0.1561860 1.2664585), wk = 0.0024752 k( 321) = ( 0.4000000 0.1629767 1.2591258), wk = 0.0024752 k( 322) = ( 0.4166667 0.1697674 1.2517931), wk = 0.0024752 k( 323) = ( 0.4333333 0.1765581 1.2444603), wk = 0.0024752 k( 324) = ( 0.4500000 0.1833488 1.2371276), wk = 0.0024752 k( 325) = ( 0.4666667 0.1901395 1.2297949), wk = 0.0024752 k( 326) = ( 0.4833333 0.1969302 1.2224622), wk = 0.0024752 k( 327) = ( 0.5000000 0.2037209 1.2151294), wk = 0.0024752 k( 328) = ( 0.5000000 0.2037209 1.2151294), wk = 0.0024752 k( 329) = ( 0.5000000 0.2037209 1.1952093), wk = 0.0024752 k( 330) = ( 0.5000000 0.2037209 1.1752891), wk = 0.0024752 k( 331) = ( 0.5000000 0.2037209 1.1553690), wk = 0.0024752 k( 332) = ( 0.5000000 0.2037209 1.1354488), wk = 0.0024752 k( 333) = ( 0.5000000 0.2037209 1.1155287), wk = 0.0024752 k( 334) = ( 0.5000000 0.2037209 1.0956085), wk = 0.0024752 k( 335) = ( 0.5000000 0.2037209 1.0756884), wk = 0.0024752 k( 336) = ( 0.5000000 0.2037209 1.0557682), wk = 0.0024752 k( 337) = ( 0.5000000 0.2037209 1.0358480), wk = 0.0024752 k( 338) = ( 0.5000000 0.2037209 1.0159279), wk = 0.0024752 k( 339) = ( 0.5000000 0.2037209 0.9960077), wk = 0.0024752 k( 340) = ( 0.5000000 0.2037209 0.9760876), wk = 0.0024752 k( 341) = ( 0.5000000 0.2037209 0.9561674), wk = 0.0024752 k( 342) = ( 0.5000000 0.2037209 0.9362473), wk = 0.0024752 k( 343) = ( 0.5000000 0.2037209 0.9163271), wk = 0.0024752 k( 344) = ( 0.5000000 0.2037209 0.8964070), wk = 0.0024752 k( 345) = ( 0.5000000 0.2037209 0.8764868), wk = 0.0024752 k( 346) = ( 0.5000000 0.2037209 0.8565667), wk = 0.0024752 k( 347) = ( 0.5000000 0.2037209 0.8366465), wk = 0.0024752 k( 348) = ( 0.5000000 0.2037209 0.8167263), wk = 0.0024752 k( 349) = ( 0.5000000 0.2037209 0.7968062), wk = 0.0024752 k( 350) = ( 0.5000000 0.2037209 0.7768860), wk = 0.0024752 k( 351) = ( 0.5000000 0.2037209 0.7569659), wk = 0.0024752 k( 352) = ( 0.5000000 0.2037209 0.7370457), wk = 0.0024752 k( 353) = ( 0.5000000 0.2037209 0.7171256), wk = 0.0024752 k( 354) = ( 0.5000000 0.2037209 0.6972054), wk = 0.0024752 k( 355) = ( 0.5000000 0.2037209 0.6772852), wk = 0.0024752 k( 356) = ( 0.5000000 0.2037209 0.6573651), wk = 0.0024752 k( 357) = ( 0.5000000 0.2037209 0.6374449), wk = 0.0024752 k( 358) = ( 0.5000000 0.2037209 0.6175248), wk = 0.0024752 k( 359) = ( 0.5000000 0.2037209 0.5976046), wk = 0.0024752 k( 360) = ( 0.5000000 0.2037209 0.5776845), wk = 0.0024752 k( 361) = ( 0.5000000 0.2037209 0.5577643), wk = 0.0024752 k( 362) = ( 0.5000000 0.2037209 0.5378442), wk = 0.0024752 k( 363) = ( 0.5000000 0.2037209 0.5179240), wk = 0.0024752 k( 364) = ( 0.5000000 0.2037209 0.4980039), wk = 0.0024752 k( 365) = ( 0.5000000 0.2037209 0.4780837), wk = 0.0024752 k( 366) = ( 0.5000000 0.2037209 0.4581635), wk = 0.0024752 k( 367) = ( 0.5000000 0.2037209 0.4382434), wk = 0.0024752 k( 368) = ( 0.5000000 0.2037209 0.4183232), wk = 0.0024752 k( 369) = ( 0.5000000 0.2037209 0.3984031), wk = 0.0024752 k( 370) = ( 0.5000000 0.2037209 0.3784829), wk = 0.0024752 k( 371) = ( 0.5000000 0.2037209 0.3585628), wk = 0.0024752 k( 372) = ( 0.5000000 0.2037209 0.3386426), wk = 0.0024752 k( 373) = ( 0.5000000 0.2037209 0.3187225), wk = 0.0024752 k( 374) = ( 0.5000000 0.2037209 0.2988023), wk = 0.0024752 k( 375) = ( 0.5000000 0.2037209 0.2788822), wk = 0.0024752 k( 376) = ( 0.5000000 0.2037209 0.2589620), wk = 0.0024752 k( 377) = ( 0.5000000 0.2037209 0.2390419), wk = 0.0024752 k( 378) = ( 0.5000000 0.2037209 0.2191217), wk = 0.0024752 k( 379) = ( 0.5000000 0.2037209 0.1992015), wk = 0.0024752 k( 380) = ( 0.5000000 0.2037209 0.1792814), wk = 0.0024752 k( 381) = ( 0.5000000 0.2037209 0.1593612), wk = 0.0024752 k( 382) = ( 0.5000000 0.2037209 0.1394411), wk = 0.0024752 k( 383) = ( 0.5000000 0.2037209 0.1195209), wk = 0.0024752 k( 384) = ( 0.5000000 0.2037209 0.0996008), wk = 0.0024752 k( 385) = ( 0.5000000 0.2037209 0.0796806), wk = 0.0024752 k( 386) = ( 0.5000000 0.2037209 0.0597605), wk = 0.0024752 k( 387) = ( 0.5000000 0.2037209 0.0398403), wk = 0.0024752 k( 388) = ( 0.5000000 0.2037209 0.0199202), wk = 0.0024752 k( 389) = ( 0.5000000 0.2037209 -0.0000000), wk = 0.0024752 k( 390) = ( 0.0000000 0.0000000 1.3251203), wk = 0.0024752 k( 391) = ( 0.0178571 0.0072757 1.3251203), wk = 0.0024752 k( 392) = ( 0.0357143 0.0145515 1.3251203), wk = 0.0024752 k( 393) = ( 0.0535714 0.0218272 1.3251203), wk = 0.0024752 k( 394) = ( 0.0714286 0.0291030 1.3251203), wk = 0.0024752 k( 395) = ( 0.0892857 0.0363787 1.3251203), wk = 0.0024752 k( 396) = ( 0.1071429 0.0436545 1.3251203), wk = 0.0024752 k( 397) = ( 0.1250000 0.0509302 1.3251203), wk = 0.0024752 k( 398) = ( 0.1428571 0.0582060 1.3251203), wk = 0.0024752 k( 399) = ( 0.1607143 0.0654817 1.3251203), wk = 0.0024752 k( 400) = ( 0.1785714 0.0727575 1.3251203), wk = 0.0024752 k( 401) = ( 0.1964286 0.0800332 1.3251203), wk = 0.0024752 k( 402) = ( 0.2142857 0.0873090 1.3251203), wk = 0.0024752 k( 403) = ( 0.2321429 0.0945847 1.3251203), wk = 0.0024752 k( 404) = ( 0.2500000 0.1018605 1.3251203), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0000000 0.0074627), wk = 0.0024752 k( 3) = ( 0.0000000 0.0000000 0.0149254), wk = 0.0024752 k( 4) = ( 0.0000000 0.0000000 0.0223881), wk = 0.0024752 k( 5) = ( 0.0000000 0.0000000 0.0298507), wk = 0.0024752 k( 6) = ( 0.0000000 0.0000000 0.0373134), wk = 0.0024752 k( 7) = ( 0.0000000 0.0000000 0.0447761), wk = 0.0024752 k( 8) = ( 0.0000000 0.0000000 0.0522388), wk = 0.0024752 k( 9) = ( 0.0000000 0.0000000 0.0597015), wk = 0.0024752 k( 10) = ( 0.0000000 0.0000000 0.0671642), wk = 0.0024752 k( 11) = ( 0.0000000 0.0000000 0.0746269), wk = 0.0024752 k( 12) = ( 0.0000000 0.0000000 0.0820895), wk = 0.0024752 k( 13) = ( 0.0000000 0.0000000 0.0895522), wk = 0.0024752 k( 14) = ( 0.0000000 0.0000000 0.0970149), wk = 0.0024752 k( 15) = ( 0.0000000 0.0000000 0.1044776), wk = 0.0024752 k( 16) = ( 0.0000000 0.0000000 0.1119403), wk = 0.0024752 k( 17) = ( 0.0000000 0.0000000 0.1194030), wk = 0.0024752 k( 18) = ( 0.0000000 0.0000000 0.1268657), wk = 0.0024752 k( 19) = ( 0.0000000 0.0000000 0.1343284), wk = 0.0024752 k( 20) = ( 0.0000000 0.0000000 0.1417910), wk = 0.0024752 k( 21) = ( 0.0000000 0.0000000 0.1492537), wk = 0.0024752 k( 22) = ( 0.0000000 0.0000000 0.1567164), wk = 0.0024752 k( 23) = ( 0.0000000 0.0000000 0.1641791), wk = 0.0024752 k( 24) = ( 0.0000000 0.0000000 0.1716418), wk = 0.0024752 k( 25) = ( 0.0000000 0.0000000 0.1791045), wk = 0.0024752 k( 26) = ( 0.0000000 0.0000000 0.1865672), wk = 0.0024752 k( 27) = ( 0.0000000 0.0000000 0.1940299), wk = 0.0024752 k( 28) = ( 0.0000000 0.0000000 0.2014925), wk = 0.0024752 k( 29) = ( 0.0000000 0.0000000 0.2089552), wk = 0.0024752 k( 30) = ( 0.0000000 0.0000000 0.2164179), wk = 0.0024752 k( 31) = ( 0.0000000 0.0000000 0.2238806), wk = 0.0024752 k( 32) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0024752 k( 33) = ( 0.0000000 0.0000000 0.2388060), wk = 0.0024752 k( 34) = ( 0.0000000 0.0000000 0.2462687), wk = 0.0024752 k( 35) = ( 0.0000000 0.0000000 0.2537313), wk = 0.0024752 k( 36) = ( 0.0000000 0.0000000 0.2611940), wk = 0.0024752 k( 37) = ( 0.0000000 0.0000000 0.2686567), wk = 0.0024752 k( 38) = ( 0.0000000 0.0000000 0.2761194), wk = 0.0024752 k( 39) = ( 0.0000000 0.0000000 0.2835821), wk = 0.0024752 k( 40) = ( 0.0000000 0.0000000 0.2910448), wk = 0.0024752 k( 41) = ( 0.0000000 0.0000000 0.2985075), wk = 0.0024752 k( 42) = ( 0.0000000 0.0000000 0.3059701), wk = 0.0024752 k( 43) = ( 0.0000000 0.0000000 0.3134328), wk = 0.0024752 k( 44) = ( 0.0000000 0.0000000 0.3208955), wk = 0.0024752 k( 45) = ( 0.0000000 0.0000000 0.3283582), wk = 0.0024752 k( 46) = ( 0.0000000 0.0000000 0.3358209), wk = 0.0024752 k( 47) = ( 0.0000000 0.0000000 0.3432836), wk = 0.0024752 k( 48) = ( 0.0000000 0.0000000 0.3507463), wk = 0.0024752 k( 49) = ( 0.0000000 0.0000000 0.3582090), wk = 0.0024752 k( 50) = ( 0.0000000 0.0000000 0.3656716), wk = 0.0024752 k( 51) = ( 0.0000000 0.0000000 0.3731343), wk = 0.0024752 k( 52) = ( 0.0000000 0.0000000 0.3805970), wk = 0.0024752 k( 53) = ( 0.0000000 0.0000000 0.3880597), wk = 0.0024752 k( 54) = ( 0.0000000 0.0000000 0.3955224), wk = 0.0024752 k( 55) = ( 0.0000000 0.0000000 0.4029851), wk = 0.0024752 k( 56) = ( 0.0000000 0.0000000 0.4104478), wk = 0.0024752 k( 57) = ( 0.0000000 0.0000000 0.4179105), wk = 0.0024752 k( 58) = ( 0.0000000 0.0000000 0.4253731), wk = 0.0024752 k( 59) = ( 0.0000000 0.0000000 0.4328358), wk = 0.0024752 k( 60) = ( 0.0000000 0.0000000 0.4402985), wk = 0.0024752 k( 61) = ( 0.0000000 0.0000000 0.4477612), wk = 0.0024752 k( 62) = ( 0.0000000 0.0000000 0.4552239), wk = 0.0024752 k( 63) = ( 0.0000000 0.0000000 0.4626866), wk = 0.0024752 k( 64) = ( 0.0000000 0.0000000 0.4701493), wk = 0.0024752 k( 65) = ( 0.0000000 0.0000000 0.4776119), wk = 0.0024752 k( 66) = ( 0.0000000 0.0000000 0.4850746), wk = 0.0024752 k( 67) = ( 0.0000000 0.0000000 0.4925373), wk = 0.0024752 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 70) = ( -0.0069170 0.0069170 0.5000000), wk = 0.0024752 k( 71) = ( -0.0138341 0.0138341 0.5000000), wk = 0.0024752 k( 72) = ( -0.0207511 0.0207511 0.5000000), wk = 0.0024752 k( 73) = ( -0.0276681 0.0276681 0.5000000), wk = 0.0024752 k( 74) = ( -0.0345852 0.0345852 0.5000000), wk = 0.0024752 k( 75) = ( -0.0415022 0.0415022 0.5000000), wk = 0.0024752 k( 76) = ( -0.0415022 0.0415022 0.5000000), wk = 0.0024752 k( 77) = ( -0.0467124 0.0467124 0.4947898), wk = 0.0024752 k( 78) = ( -0.0519226 0.0519226 0.4895796), wk = 0.0024752 k( 79) = ( -0.0571328 0.0571328 0.4843694), wk = 0.0024752 k( 80) = ( -0.0623430 0.0623430 0.4791592), wk = 0.0024752 k( 81) = ( -0.0675532 0.0675532 0.4739490), wk = 0.0024752 k( 82) = ( -0.0727634 0.0727634 0.4687388), wk = 0.0024752 k( 83) = ( -0.0779736 0.0779736 0.4635286), wk = 0.0024752 k( 84) = ( -0.0831838 0.0831838 0.4583184), wk = 0.0024752 k( 85) = ( -0.0883940 0.0883940 0.4531082), wk = 0.0024752 k( 86) = ( -0.0936042 0.0936042 0.4478980), wk = 0.0024752 k( 87) = ( -0.0988144 0.0988144 0.4426878), wk = 0.0024752 k( 88) = ( -0.1040246 0.1040246 0.4374776), wk = 0.0024752 k( 89) = ( -0.1092348 0.1092348 0.4322674), wk = 0.0024752 k( 90) = ( -0.1144450 0.1144450 0.4270572), wk = 0.0024752 k( 91) = ( -0.1196553 0.1196553 0.4218470), wk = 0.0024752 k( 92) = ( -0.1248655 0.1248655 0.4166368), wk = 0.0024752 k( 93) = ( -0.1300756 0.1300757 0.4114266), wk = 0.0024752 k( 94) = ( -0.1352859 0.1352859 0.4062164), wk = 0.0024752 k( 95) = ( -0.1404961 0.1404961 0.4010062), wk = 0.0024752 k( 96) = ( -0.1457063 0.1457063 0.3957960), wk = 0.0024752 k( 97) = ( -0.1509165 0.1509165 0.3905858), wk = 0.0024752 k( 98) = ( -0.1561267 0.1561267 0.3853756), wk = 0.0024752 k( 99) = ( -0.1613369 0.1613369 0.3801653), wk = 0.0024752 k( 100) = ( -0.1665471 0.1665471 0.3749552), wk = 0.0024752 k( 101) = ( -0.1717573 0.1717573 0.3697450), wk = 0.0024752 k( 102) = ( -0.1769675 0.1769675 0.3645347), wk = 0.0024752 k( 103) = ( -0.1821777 0.1821777 0.3593245), wk = 0.0024752 k( 104) = ( -0.1873879 0.1873879 0.3541143), wk = 0.0024752 k( 105) = ( -0.1925981 0.1925981 0.3489041), wk = 0.0024752 k( 106) = ( -0.1978083 0.1978083 0.3436939), wk = 0.0024752 k( 107) = ( -0.2030185 0.2030185 0.3384837), wk = 0.0024752 k( 108) = ( -0.2082287 0.2082287 0.3332735), wk = 0.0024752 k( 109) = ( -0.2134389 0.2134389 0.3280633), wk = 0.0024752 k( 110) = ( -0.2186491 0.2186491 0.3228531), wk = 0.0024752 k( 111) = ( -0.2238593 0.2238593 0.3176429), wk = 0.0024752 k( 112) = ( -0.2290695 0.2290695 0.3124327), wk = 0.0024752 k( 113) = ( -0.2342797 0.2342797 0.3072225), wk = 0.0024752 k( 114) = ( -0.2394899 0.2394899 0.3020123), wk = 0.0024752 k( 115) = ( -0.2447001 0.2447001 0.2968021), wk = 0.0024752 k( 116) = ( -0.2499103 0.2499103 0.2915919), wk = 0.0024752 k( 117) = ( -0.2551205 0.2551205 0.2863817), wk = 0.0024752 k( 118) = ( -0.2603307 0.2603307 0.2811715), wk = 0.0024752 k( 119) = ( -0.2655409 0.2655409 0.2759613), wk = 0.0024752 k( 120) = ( -0.2707511 0.2707511 0.2707511), wk = 0.0024752 k( 121) = ( -0.2707511 0.2707511 0.2707511), wk = 0.0024752 k( 122) = ( -0.2654423 0.2654423 0.2654423), wk = 0.0024752 k( 123) = ( -0.2601334 0.2601334 0.2601334), wk = 0.0024752 k( 124) = ( -0.2548246 0.2548246 0.2548246), wk = 0.0024752 k( 125) = ( -0.2495157 0.2495157 0.2495157), wk = 0.0024752 k( 126) = ( -0.2442069 0.2442069 0.2442069), wk = 0.0024752 k( 127) = ( -0.2388980 0.2388980 0.2388980), wk = 0.0024752 k( 128) = ( -0.2335892 0.2335892 0.2335892), wk = 0.0024752 k( 129) = ( -0.2282803 0.2282804 0.2282803), wk = 0.0024752 k( 130) = ( -0.2229715 0.2229715 0.2229715), wk = 0.0024752 k( 131) = ( -0.2176627 0.2176627 0.2176626), wk = 0.0024752 k( 132) = ( -0.2123538 0.2123538 0.2123538), wk = 0.0024752 k( 133) = ( -0.2070450 0.2070450 0.2070450), wk = 0.0024752 k( 134) = ( -0.2017361 0.2017361 0.2017361), wk = 0.0024752 k( 135) = ( -0.1964273 0.1964273 0.1964273), wk = 0.0024752 k( 136) = ( -0.1911184 0.1911184 0.1911184), wk = 0.0024752 k( 137) = ( -0.1858096 0.1858096 0.1858096), wk = 0.0024752 k( 138) = ( -0.1805007 0.1805007 0.1805007), wk = 0.0024752 k( 139) = ( -0.1751919 0.1751919 0.1751919), wk = 0.0024752 k( 140) = ( -0.1698831 0.1698831 0.1698830), wk = 0.0024752 k( 141) = ( -0.1645742 0.1645742 0.1645742), wk = 0.0024752 k( 142) = ( -0.1592654 0.1592654 0.1592654), wk = 0.0024752 k( 143) = ( -0.1539565 0.1539565 0.1539565), wk = 0.0024752 k( 144) = ( -0.1486477 0.1486477 0.1486477), wk = 0.0024752 k( 145) = ( -0.1433388 0.1433388 0.1433388), wk = 0.0024752 k( 146) = ( -0.1380300 0.1380300 0.1380300), wk = 0.0024752 k( 147) = ( -0.1327211 0.1327211 0.1327211), wk = 0.0024752 k( 148) = ( -0.1274123 0.1274123 0.1274123), wk = 0.0024752 k( 149) = ( -0.1221034 0.1221034 0.1221034), wk = 0.0024752 k( 150) = ( -0.1167946 0.1167946 0.1167946), wk = 0.0024752 k( 151) = ( -0.1114857 0.1114858 0.1114857), wk = 0.0024752 k( 152) = ( -0.1061769 0.1061769 0.1061769), wk = 0.0024752 k( 153) = ( -0.1008681 0.1008681 0.1008681), wk = 0.0024752 k( 154) = ( -0.0955592 0.0955592 0.0955592), wk = 0.0024752 k( 155) = ( -0.0902504 0.0902504 0.0902504), wk = 0.0024752 k( 156) = ( -0.0849415 0.0849415 0.0849415), wk = 0.0024752 k( 157) = ( -0.0796327 0.0796327 0.0796327), wk = 0.0024752 k( 158) = ( -0.0743238 0.0743238 0.0743238), wk = 0.0024752 k( 159) = ( -0.0690150 0.0690150 0.0690150), wk = 0.0024752 k( 160) = ( -0.0637061 0.0637061 0.0637061), wk = 0.0024752 k( 161) = ( -0.0583973 0.0583973 0.0583973), wk = 0.0024752 k( 162) = ( -0.0530885 0.0530885 0.0530884), wk = 0.0024752 k( 163) = ( -0.0477796 0.0477796 0.0477796), wk = 0.0024752 k( 164) = ( -0.0424708 0.0424708 0.0424708), wk = 0.0024752 k( 165) = ( -0.0371619 0.0371619 0.0371619), wk = 0.0024752 k( 166) = ( -0.0318531 0.0318531 0.0318531), wk = 0.0024752 k( 167) = ( -0.0265442 0.0265442 0.0265442), wk = 0.0024752 k( 168) = ( -0.0212354 0.0212354 0.0212354), wk = 0.0024752 k( 169) = ( -0.0159265 0.0159265 0.0159265), wk = 0.0024752 k( 170) = ( -0.0106177 0.0106177 0.0106177), wk = 0.0024752 k( 171) = ( -0.0053089 0.0053089 0.0053089), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 174) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024752 k( 175) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024752 k( 176) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024752 k( 177) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024752 k( 178) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024752 k( 179) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024752 k( 180) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024752 k( 181) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024752 k( 182) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024752 k( 183) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024752 k( 184) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024752 k( 185) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024752 k( 186) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024752 k( 187) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024752 k( 188) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024752 k( 189) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024752 k( 190) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024752 k( 191) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024752 k( 192) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024752 k( 193) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024752 k( 194) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024752 k( 195) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024752 k( 196) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024752 k( 197) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024752 k( 198) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024752 k( 199) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024752 k( 200) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024752 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024752 k( 202) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024752 k( 203) = ( 0.4947898 0.5052102 -0.4947898), wk = 0.0024752 k( 204) = ( 0.4895796 0.5104204 -0.4895796), wk = 0.0024752 k( 205) = ( 0.4843694 0.5156306 -0.4843694), wk = 0.0024752 k( 206) = ( 0.4791592 0.5208408 -0.4791592), wk = 0.0024752 k( 207) = ( 0.4739490 0.5260510 -0.4739490), wk = 0.0024752 k( 208) = ( 0.4687388 0.5312612 -0.4687388), wk = 0.0024752 k( 209) = ( 0.4635286 0.5364714 -0.4635286), wk = 0.0024752 k( 210) = ( 0.4583184 0.5416816 -0.4583184), wk = 0.0024752 k( 211) = ( 0.4531082 0.5468918 -0.4531082), wk = 0.0024752 k( 212) = ( 0.4478980 0.5521020 -0.4478980), wk = 0.0024752 k( 213) = ( 0.4426878 0.5573122 -0.4426878), wk = 0.0024752 k( 214) = ( 0.4374776 0.5625224 -0.4374776), wk = 0.0024752 k( 215) = ( 0.4322674 0.5677326 -0.4322674), wk = 0.0024752 k( 216) = ( 0.4270572 0.5729428 -0.4270572), wk = 0.0024752 k( 217) = ( 0.4218470 0.5781530 -0.4218470), wk = 0.0024752 k( 218) = ( 0.4166368 0.5833632 -0.4166368), wk = 0.0024752 k( 219) = ( 0.4114266 0.5885734 -0.4114266), wk = 0.0024752 k( 220) = ( 0.4062164 0.5937836 -0.4062164), wk = 0.0024752 k( 221) = ( 0.4010062 0.5989938 -0.4010062), wk = 0.0024752 k( 222) = ( 0.3957960 0.6042040 -0.3957960), wk = 0.0024752 k( 223) = ( 0.3905858 0.6094142 -0.3905858), wk = 0.0024752 k( 224) = ( 0.3853756 0.6146245 -0.3853756), wk = 0.0024752 k( 225) = ( 0.3801654 0.6198347 -0.3801653), wk = 0.0024752 k( 226) = ( 0.3749552 0.6250449 -0.3749551), wk = 0.0024752 k( 227) = ( 0.3697450 0.6302551 -0.3697449), wk = 0.0024752 k( 228) = ( 0.3645348 0.6354653 -0.3645347), wk = 0.0024752 k( 229) = ( 0.3593245 0.6406755 -0.3593245), wk = 0.0024752 k( 230) = ( 0.3541143 0.6458857 -0.3541143), wk = 0.0024752 k( 231) = ( 0.3489041 0.6510959 -0.3489041), wk = 0.0024752 k( 232) = ( 0.3436939 0.6563061 -0.3436939), wk = 0.0024752 k( 233) = ( 0.3384837 0.6615163 -0.3384837), wk = 0.0024752 k( 234) = ( 0.3332735 0.6667265 -0.3332735), wk = 0.0024752 k( 235) = ( 0.3280633 0.6719367 -0.3280633), wk = 0.0024752 k( 236) = ( 0.3228531 0.6771469 -0.3228531), wk = 0.0024752 k( 237) = ( 0.3176429 0.6823571 -0.3176429), wk = 0.0024752 k( 238) = ( 0.3124327 0.6875673 -0.3124327), wk = 0.0024752 k( 239) = ( 0.3072225 0.6927775 -0.3072225), wk = 0.0024752 k( 240) = ( 0.3020123 0.6979877 -0.3020123), wk = 0.0024752 k( 241) = ( 0.2968021 0.7031979 -0.2968021), wk = 0.0024752 k( 242) = ( 0.2915919 0.7084081 -0.2915919), wk = 0.0024752 k( 243) = ( 0.2863817 0.7136183 -0.2863817), wk = 0.0024752 k( 244) = ( 0.2811715 0.7188285 -0.2811715), wk = 0.0024752 k( 245) = ( 0.2759613 0.7240387 -0.2759613), wk = 0.0024752 k( 246) = ( 0.2707511 0.7292489 -0.2707511), wk = 0.0024752 k( 247) = ( 0.2707511 0.7292489 -0.2707511), wk = 0.0024752 k( 248) = ( 0.2527010 0.7139656 -0.2527010), wk = 0.0024752 k( 249) = ( 0.2346510 0.6986824 -0.2346510), wk = 0.0024752 k( 250) = ( 0.2166009 0.6833991 -0.2166009), wk = 0.0024752 k( 251) = ( 0.1985508 0.6681159 -0.1985508), wk = 0.0024752 k( 252) = ( 0.1805007 0.6528326 -0.1805007), wk = 0.0024752 k( 253) = ( 0.1624507 0.6375493 -0.1624507), wk = 0.0024752 k( 254) = ( 0.1444006 0.6222661 -0.1444006), wk = 0.0024752 k( 255) = ( 0.1263505 0.6069828 -0.1263505), wk = 0.0024752 k( 256) = ( 0.1083004 0.5916996 -0.1083004), wk = 0.0024752 k( 257) = ( 0.0902504 0.5764163 -0.0902504), wk = 0.0024752 k( 258) = ( 0.0722003 0.5611330 -0.0722003), wk = 0.0024752 k( 259) = ( 0.0541502 0.5458498 -0.0541502), wk = 0.0024752 k( 260) = ( 0.0361001 0.5305665 -0.0361001), wk = 0.0024752 k( 261) = ( 0.0180501 0.5152833 -0.0180501), wk = 0.0024752 k( 262) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 263) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 264) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0024752 k( 265) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0024752 k( 266) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024752 k( 267) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024752 k( 268) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0024752 k( 269) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024752 k( 270) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0024752 k( 271) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024752 k( 272) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024752 k( 273) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0024752 k( 274) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0024752 k( 275) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024752 k( 276) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0024752 k( 277) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0024752 k( 278) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024752 k( 279) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024752 k( 280) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0024752 k( 281) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024752 k( 282) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0024752 k( 283) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024752 k( 284) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024752 k( 285) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0024752 k( 286) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0024752 k( 287) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024752 k( 288) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0024752 k( 289) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0024752 k( 290) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024752 k( 291) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024752 k( 292) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0024752 k( 293) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024752 k( 294) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0024752 k( 295) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024752 k( 296) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024752 k( 297) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0024752 k( 298) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0024752 k( 299) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024752 k( 300) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0024752 k( 301) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0024752 k( 302) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024752 k( 303) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024752 k( 304) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0024752 k( 305) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024752 k( 306) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0024752 k( 307) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024752 k( 308) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024752 k( 309) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0024752 k( 310) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0024752 k( 311) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024752 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024752 k( 313) = ( 0.2666667 0.2666667 0.2305665), wk = 0.0024752 k( 314) = ( 0.2833333 0.2833333 0.2111330), wk = 0.0024752 k( 315) = ( 0.3000000 0.3000000 0.1916996), wk = 0.0024752 k( 316) = ( 0.3166667 0.3166667 0.1722661), wk = 0.0024752 k( 317) = ( 0.3333333 0.3333333 0.1528326), wk = 0.0024752 k( 318) = ( 0.3500000 0.3500000 0.1333991), wk = 0.0024752 k( 319) = ( 0.3666667 0.3666667 0.1139656), wk = 0.0024752 k( 320) = ( 0.3833333 0.3833333 0.0945322), wk = 0.0024752 k( 321) = ( 0.4000000 0.4000000 0.0750987), wk = 0.0024752 k( 322) = ( 0.4166667 0.4166667 0.0556652), wk = 0.0024752 k( 323) = ( 0.4333333 0.4333333 0.0362317), wk = 0.0024752 k( 324) = ( 0.4500000 0.4500000 0.0167982), wk = 0.0024752 k( 325) = ( 0.4666667 0.4666667 -0.0026353), wk = 0.0024752 k( 326) = ( 0.4833333 0.4833333 -0.0220687), wk = 0.0024752 k( 327) = ( 0.5000000 0.5000000 -0.0415022), wk = 0.0024752 k( 328) = ( 0.5000000 0.5000000 -0.0415022), wk = 0.0024752 k( 329) = ( 0.5000000 0.5000000 -0.0490186), wk = 0.0024752 k( 330) = ( 0.5000000 0.5000000 -0.0565349), wk = 0.0024752 k( 331) = ( 0.5000000 0.5000000 -0.0640513), wk = 0.0024752 k( 332) = ( 0.5000000 0.5000000 -0.0715676), wk = 0.0024752 k( 333) = ( 0.5000000 0.5000000 -0.0790840), wk = 0.0024752 k( 334) = ( 0.5000000 0.5000000 -0.0866004), wk = 0.0024752 k( 335) = ( 0.5000000 0.5000000 -0.0941167), wk = 0.0024752 k( 336) = ( 0.5000000 0.5000000 -0.1016331), wk = 0.0024752 k( 337) = ( 0.5000000 0.5000000 -0.1091494), wk = 0.0024752 k( 338) = ( 0.5000000 0.5000000 -0.1166658), wk = 0.0024752 k( 339) = ( 0.5000000 0.5000000 -0.1241821), wk = 0.0024752 k( 340) = ( 0.5000000 0.5000000 -0.1316985), wk = 0.0024752 k( 341) = ( 0.5000000 0.5000000 -0.1392149), wk = 0.0024752 k( 342) = ( 0.5000000 0.5000000 -0.1467312), wk = 0.0024752 k( 343) = ( 0.5000000 0.5000000 -0.1542476), wk = 0.0024752 k( 344) = ( 0.5000000 0.5000000 -0.1617639), wk = 0.0024752 k( 345) = ( 0.5000000 0.5000000 -0.1692803), wk = 0.0024752 k( 346) = ( 0.5000000 0.5000000 -0.1767966), wk = 0.0024752 k( 347) = ( 0.5000000 0.5000000 -0.1843130), wk = 0.0024752 k( 348) = ( 0.5000000 0.5000000 -0.1918294), wk = 0.0024752 k( 349) = ( 0.5000000 0.5000000 -0.1993457), wk = 0.0024752 k( 350) = ( 0.5000000 0.5000000 -0.2068621), wk = 0.0024752 k( 351) = ( 0.5000000 0.5000000 -0.2143784), wk = 0.0024752 k( 352) = ( 0.5000000 0.5000000 -0.2218948), wk = 0.0024752 k( 353) = ( 0.5000000 0.5000000 -0.2294111), wk = 0.0024752 k( 354) = ( 0.5000000 0.5000000 -0.2369275), wk = 0.0024752 k( 355) = ( 0.5000000 0.5000000 -0.2444439), wk = 0.0024752 k( 356) = ( 0.5000000 0.5000000 -0.2519602), wk = 0.0024752 k( 357) = ( 0.5000000 0.5000000 -0.2594766), wk = 0.0024752 k( 358) = ( 0.5000000 0.5000000 -0.2669929), wk = 0.0024752 k( 359) = ( 0.5000000 0.5000000 -0.2745093), wk = 0.0024752 k( 360) = ( 0.5000000 0.5000000 -0.2820256), wk = 0.0024752 k( 361) = ( 0.5000000 0.5000000 -0.2895420), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 -0.2970584), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 -0.3045747), wk = 0.0024752 k( 364) = ( 0.5000000 0.5000000 -0.3120911), wk = 0.0024752 k( 365) = ( 0.5000000 0.5000000 -0.3196074), wk = 0.0024752 k( 366) = ( 0.5000000 0.5000000 -0.3271238), wk = 0.0024752 k( 367) = ( 0.5000000 0.5000000 -0.3346401), wk = 0.0024752 k( 368) = ( 0.5000000 0.5000000 -0.3421565), wk = 0.0024752 k( 369) = ( 0.5000000 0.5000000 -0.3496729), wk = 0.0024752 k( 370) = ( 0.5000000 0.5000000 -0.3571892), wk = 0.0024752 k( 371) = ( 0.5000000 0.5000000 -0.3647056), wk = 0.0024752 k( 372) = ( 0.5000000 0.5000000 -0.3722219), wk = 0.0024752 k( 373) = ( 0.5000000 0.5000000 -0.3797383), wk = 0.0024752 k( 374) = ( 0.5000000 0.5000000 -0.3872546), wk = 0.0024752 k( 375) = ( 0.5000000 0.5000000 -0.3947710), wk = 0.0024752 k( 376) = ( 0.5000000 0.5000000 -0.4022874), wk = 0.0024752 k( 377) = ( 0.5000000 0.5000000 -0.4098037), wk = 0.0024752 k( 378) = ( 0.5000000 0.5000000 -0.4173201), wk = 0.0024752 k( 379) = ( 0.5000000 0.5000000 -0.4248364), wk = 0.0024752 k( 380) = ( 0.5000000 0.5000000 -0.4323528), wk = 0.0024752 k( 381) = ( 0.5000000 0.5000000 -0.4398691), wk = 0.0024752 k( 382) = ( 0.5000000 0.5000000 -0.4473855), wk = 0.0024752 k( 383) = ( 0.5000000 0.5000000 -0.4549019), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 -0.4624182), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 -0.4699346), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 -0.4774509), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 -0.4849673), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 -0.4924836), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024752 k( 390) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 391) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024752 k( 392) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024752 k( 393) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024752 k( 394) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024752 k( 395) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024752 k( 396) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024752 k( 397) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024752 k( 398) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024752 k( 399) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024752 k( 400) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024752 k( 401) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024752 k( 402) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024752 k( 403) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024752 k( 404) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024752 Dense grid: 93781 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 26697 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 198, 36) NL pseudopotentials 0.11 Mb ( 99, 70) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2605) G-vector shells 0.01 Mb ( 1216) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 198, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 70, 2, 36) The potential is recalculated from file : ./Zr2H2Pd.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.3 secs Computing kpt #: 24 total cpu time spent up to now is 14.7 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.6 secs Computing kpt #: 27 total cpu time spent up to now is 16.0 secs Computing kpt #: 28 total cpu time spent up to now is 16.4 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.3 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.2 secs Computing kpt #: 35 total cpu time spent up to now is 19.6 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.4 secs Computing kpt #: 40 total cpu time spent up to now is 21.8 secs Computing kpt #: 41 total cpu time spent up to now is 22.2 secs Computing kpt #: 42 total cpu time spent up to now is 22.7 secs Computing kpt #: 43 total cpu time spent up to now is 23.1 secs Computing kpt #: 44 total cpu time spent up to now is 23.5 secs Computing kpt #: 45 total cpu time spent up to now is 23.9 secs Computing kpt #: 46 total cpu time spent up to now is 24.4 secs Computing kpt #: 47 total cpu time spent up to now is 24.8 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.7 secs Computing kpt #: 50 total cpu time spent up to now is 26.1 secs Computing kpt #: 51 total cpu time spent up to now is 26.5 secs Computing kpt #: 52 total cpu time spent up to now is 27.0 secs Computing kpt #: 53 total cpu time spent up to now is 27.4 secs Computing kpt #: 54 total cpu time spent up to now is 27.9 secs Computing kpt #: 55 total cpu time spent up to now is 28.3 secs Computing kpt #: 56 total cpu time spent up to now is 28.7 secs Computing kpt #: 57 total cpu time spent up to now is 29.2 secs Computing kpt #: 58 total cpu time spent up to now is 29.6 secs Computing kpt #: 59 total cpu time spent up to now is 30.1 secs Computing kpt #: 60 total cpu time spent up to now is 30.5 secs Computing kpt #: 61 total cpu time spent up to now is 31.0 secs Computing kpt #: 62 total cpu time spent up to now is 31.5 secs Computing kpt #: 63 total cpu time spent up to now is 32.7 secs Computing kpt #: 64 total cpu time spent up to now is 33.2 secs Computing kpt #: 65 total cpu time spent up to now is 33.7 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.6 secs Computing kpt #: 68 total cpu time spent up to now is 35.0 secs Computing kpt #: 69 total cpu time spent up to now is 35.5 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.4 secs Computing kpt #: 72 total cpu time spent up to now is 36.8 secs Computing kpt #: 73 total cpu time spent up to now is 37.3 secs Computing kpt #: 74 total cpu time spent up to now is 37.7 secs Computing kpt #: 75 total cpu time spent up to now is 38.2 secs Computing kpt #: 76 total cpu time spent up to now is 38.6 secs Computing kpt #: 77 total cpu time spent up to now is 39.1 secs Computing kpt #: 78 total cpu time spent up to now is 39.5 secs Computing kpt #: 79 total cpu time spent up to now is 40.0 secs Computing kpt #: 80 total cpu time spent up to now is 40.4 secs Computing kpt #: 81 total cpu time spent up to now is 40.9 secs Computing kpt #: 82 total cpu time spent up to now is 41.3 secs Computing kpt #: 83 total cpu time spent up to now is 41.7 secs Computing kpt #: 84 total cpu time spent up to now is 42.2 secs Computing kpt #: 85 total cpu time spent up to now is 42.6 secs Computing kpt #: 86 total cpu time spent up to now is 43.1 secs Computing kpt #: 87 total cpu time spent up to now is 43.5 secs Computing kpt #: 88 total cpu time spent up to now is 43.9 secs Computing kpt #: 89 total cpu time spent up to now is 44.4 secs Computing kpt #: 90 total cpu time spent up to now is 44.8 secs Computing kpt #: 91 total cpu time spent up to now is 45.3 secs Computing kpt #: 92 total cpu time spent up to now is 45.7 secs Computing kpt #: 93 total cpu time spent up to now is 46.1 secs Computing kpt #: 94 total cpu time spent up to now is 46.6 secs Computing kpt #: 95 total cpu time spent up to now is 47.0 secs Computing kpt #: 96 total cpu time spent up to now is 47.4 secs Computing kpt #: 97 total cpu time spent up to now is 47.9 secs Computing kpt #: 98 total cpu time spent up to now is 48.3 secs Computing kpt #: 99 total cpu time spent up to now is 48.7 secs Computing kpt #: 100 total cpu time spent up to now is 49.2 secs Computing kpt #: 101 total cpu time spent up to now is 49.6 secs Computing kpt #: 102 total cpu time spent up to now is 50.0 secs Computing kpt #: 103 total cpu time spent up to now is 50.5 secs Computing kpt #: 104 total cpu time spent up to now is 50.9 secs Computing kpt #: 105 total cpu time spent up to now is 51.3 secs Computing kpt #: 106 total cpu time spent up to now is 51.7 secs Computing kpt #: 107 total cpu time spent up to now is 52.2 secs Computing kpt #: 108 total cpu time spent up to now is 52.6 secs Computing kpt #: 109 total cpu time spent up to now is 53.0 secs Computing kpt #: 110 total cpu time spent up to now is 53.4 secs Computing kpt #: 111 total cpu time spent up to now is 53.9 secs Computing kpt #: 112 total cpu time spent up to now is 54.3 secs Computing kpt #: 113 total cpu time spent up to now is 54.7 secs Computing kpt #: 114 total cpu time spent up to now is 55.1 secs Computing kpt #: 115 total cpu time spent up to now is 55.5 secs Computing kpt #: 116 total cpu time spent up to now is 56.0 secs Computing kpt #: 117 total cpu time spent up to now is 56.4 secs Computing kpt #: 118 total cpu time spent up to now is 56.8 secs Computing kpt #: 119 total cpu time spent up to now is 57.2 secs Computing kpt #: 120 total cpu time spent up to now is 57.6 secs Computing kpt #: 121 total cpu time spent up to now is 58.0 secs Computing kpt #: 122 total cpu time spent up to now is 58.4 secs Computing kpt #: 123 total cpu time spent up to now is 58.8 secs Computing kpt #: 124 total cpu time spent up to now is 59.2 secs Computing kpt #: 125 total cpu time spent up to now is 59.7 secs Computing kpt #: 126 total cpu time spent up to now is 60.1 secs Computing kpt #: 127 total cpu time spent up to now is 60.5 secs Computing kpt #: 128 total cpu time spent up to now is 60.9 secs Computing kpt #: 129 total cpu time spent up to now is 61.3 secs Computing kpt #: 130 total cpu time spent up to now is 61.8 secs Computing kpt #: 131 total cpu time spent up to now is 62.2 secs Computing kpt #: 132 total cpu time spent up to now is 62.6 secs Computing kpt #: 133 total cpu time spent up to now is 63.0 secs Computing kpt #: 134 total cpu time spent up to now is 63.5 secs Computing kpt #: 135 total cpu time spent up to now is 63.9 secs Computing kpt #: 136 total cpu time spent up to now is 64.3 secs Computing kpt #: 137 total cpu time spent up to now is 64.7 secs Computing kpt #: 138 total cpu time spent up to now is 65.2 secs Computing kpt #: 139 total cpu time spent up to now is 65.6 secs Computing kpt #: 140 total cpu time spent up to now is 66.0 secs Computing kpt #: 141 total cpu time spent up to now is 66.5 secs Computing kpt #: 142 total cpu time spent up to now is 66.9 secs Computing kpt #: 143 total cpu time spent up to now is 67.3 secs Computing kpt #: 144 total cpu time spent up to now is 67.7 secs Computing kpt #: 145 total cpu time spent up to now is 68.2 secs Computing kpt #: 146 total cpu time spent up to now is 68.6 secs Computing kpt #: 147 total cpu time spent up to now is 69.0 secs Computing kpt #: 148 total cpu time spent up to now is 69.4 secs Computing kpt #: 149 total cpu time spent up to now is 69.9 secs Computing kpt #: 150 total cpu time spent up to now is 70.3 secs Computing kpt #: 151 total cpu time spent up to now is 70.7 secs Computing kpt #: 152 total cpu time spent up to now is 71.1 secs Computing kpt #: 153 total cpu time spent up to now is 71.6 secs Computing kpt #: 154 total cpu time spent up to now is 72.0 secs Computing kpt #: 155 total cpu time spent up to now is 72.4 secs Computing kpt #: 156 total cpu time spent up to now is 72.8 secs Computing kpt #: 157 total cpu time spent up to now is 73.3 secs Computing kpt #: 158 total cpu time spent up to now is 73.7 secs Computing kpt #: 159 total cpu time spent up to now is 74.1 secs Computing kpt #: 160 total cpu time spent up to now is 74.5 secs Computing kpt #: 161 total cpu time spent up to now is 75.0 secs Computing kpt #: 162 total cpu time spent up to now is 75.4 secs Computing kpt #: 163 total cpu time spent up to now is 75.8 secs Computing kpt #: 164 total cpu time spent up to now is 76.3 secs Computing kpt #: 165 total cpu time spent up to now is 76.7 secs Computing kpt #: 166 total cpu time spent up to now is 77.2 secs Computing kpt #: 167 total cpu time spent up to now is 77.7 secs Computing kpt #: 168 total cpu time spent up to now is 78.3 secs Computing kpt #: 169 total cpu time spent up to now is 78.8 secs Computing kpt #: 170 total cpu time spent up to now is 79.3 secs Computing kpt #: 171 total cpu time spent up to now is 79.8 secs Computing kpt #: 172 total cpu time spent up to now is 80.4 secs Computing kpt #: 173 total cpu time spent up to now is 80.9 secs Computing kpt #: 174 total cpu time spent up to now is 81.4 secs Computing kpt #: 175 total cpu time spent up to now is 82.0 secs Computing kpt #: 176 total cpu time spent up to now is 82.6 secs Computing kpt #: 177 total cpu time spent up to now is 83.2 secs Computing kpt #: 178 total cpu time spent up to now is 83.8 secs Computing kpt #: 179 total cpu time spent up to now is 84.4 secs Computing kpt #: 180 total cpu time spent up to now is 85.0 secs Computing kpt #: 181 total cpu time spent up to now is 85.7 secs Computing kpt #: 182 total cpu time spent up to now is 86.3 secs Computing kpt #: 183 total cpu time spent up to now is 86.9 secs Computing kpt #: 184 total cpu time spent up to now is 87.4 secs Computing kpt #: 185 total cpu time spent up to now is 88.0 secs Computing kpt #: 186 total cpu time spent up to now is 88.6 secs Computing kpt #: 187 total cpu time spent up to now is 89.2 secs Computing kpt #: 188 total cpu time spent up to now is 89.7 secs Computing kpt #: 189 total cpu time spent up to now is 90.3 secs Computing kpt #: 190 total cpu time spent up to now is 90.8 secs Computing kpt #: 191 total cpu time spent up to now is 91.4 secs Computing kpt #: 192 total cpu time spent up to now is 91.9 secs Computing kpt #: 193 total cpu time spent up to now is 92.4 secs Computing kpt #: 194 total cpu time spent up to now is 93.0 secs Computing kpt #: 195 total cpu time spent up to now is 93.5 secs Computing kpt #: 196 total cpu time spent up to now is 94.1 secs Computing kpt #: 197 total cpu time spent up to now is 94.6 secs Computing kpt #: 198 total cpu time spent up to now is 95.1 secs Computing kpt #: 199 total cpu time spent up to now is 95.6 secs Computing kpt #: 200 total cpu time spent up to now is 96.2 secs Computing kpt #: 201 total cpu time spent up to now is 96.7 secs Computing kpt #: 202 total cpu time spent up to now is 97.2 secs Computing kpt #: 203 total cpu time spent up to now is 97.7 secs Computing kpt #: 204 total cpu time spent up to now is 98.3 secs Computing kpt #: 205 total cpu time spent up to now is 98.8 secs Computing kpt #: 206 total cpu time spent up to now is 99.4 secs Computing kpt #: 207 total cpu time spent up to now is 99.9 secs Computing kpt #: 208 total cpu time spent up to now is 100.4 secs Computing kpt #: 209 total cpu time spent up to now is 100.9 secs Computing kpt #: 210 total cpu time spent up to now is 101.4 secs Computing kpt #: 211 total cpu time spent up to now is 101.8 secs Computing kpt #: 212 total cpu time spent up to now is 102.3 secs Computing kpt #: 213 total cpu time spent up to now is 102.7 secs Computing kpt #: 214 total cpu time spent up to now is 103.1 secs Computing kpt #: 215 total cpu time spent up to now is 103.5 secs Computing kpt #: 216 total cpu time spent up to now is 104.0 secs Computing kpt #: 217 total cpu time spent up to now is 104.4 secs Computing kpt #: 218 total cpu time spent up to now is 104.8 secs Computing kpt #: 219 total cpu time spent up to now is 105.3 secs Computing kpt #: 220 total cpu time spent up to now is 105.7 secs Computing kpt #: 221 total cpu time spent up to now is 106.1 secs Computing kpt #: 222 total cpu time spent up to now is 106.5 secs Computing kpt #: 223 total cpu time spent up to now is 107.0 secs Computing kpt #: 224 total cpu time spent up to now is 107.4 secs Computing kpt #: 225 total cpu time spent up to now is 107.8 secs Computing kpt #: 226 total cpu time spent up to now is 108.2 secs Computing kpt #: 227 total cpu time spent up to now is 108.7 secs Computing kpt #: 228 total cpu time spent up to now is 109.1 secs Computing kpt #: 229 total cpu time spent up to now is 109.5 secs Computing kpt #: 230 total cpu time spent up to now is 109.9 secs Computing kpt #: 231 total cpu time spent up to now is 110.4 secs Computing kpt #: 232 total cpu time spent up to now is 110.8 secs Computing kpt #: 233 total cpu time spent up to now is 111.2 secs Computing kpt #: 234 total cpu time spent up to now is 111.6 secs Computing kpt #: 235 total cpu time spent up to now is 112.0 secs Computing kpt #: 236 total cpu time spent up to now is 112.5 secs Computing kpt #: 237 total cpu time spent up to now is 112.9 secs Computing kpt #: 238 total cpu time spent up to now is 113.3 secs Computing kpt #: 239 total cpu time spent up to now is 113.7 secs Computing kpt #: 240 total cpu time spent up to now is 114.1 secs Computing kpt #: 241 total cpu time spent up to now is 114.5 secs Computing kpt #: 242 total cpu time spent up to now is 114.9 secs Computing kpt #: 243 total cpu time spent up to now is 115.3 secs Computing kpt #: 244 total cpu time spent up to now is 115.7 secs Computing kpt #: 245 total cpu time spent up to now is 116.1 secs Computing kpt #: 246 total cpu time spent up to now is 116.5 secs Computing kpt #: 247 total cpu time spent up to now is 117.0 secs Computing kpt #: 248 total cpu time spent up to now is 117.4 secs Computing kpt #: 249 total cpu time spent up to now is 117.8 secs Computing kpt #: 250 total cpu time spent up to now is 118.2 secs Computing kpt #: 251 total cpu time spent up to now is 118.6 secs Computing kpt #: 252 total cpu time spent up to now is 119.0 secs Computing kpt #: 253 total cpu time spent up to now is 119.4 secs Computing kpt #: 254 total cpu time spent up to now is 119.8 secs Computing kpt #: 255 total cpu time spent up to now is 120.2 secs Computing kpt #: 256 total cpu time spent up to now is 120.6 secs Computing kpt #: 257 total cpu time spent up to now is 121.0 secs Computing kpt #: 258 total cpu time spent up to now is 121.4 secs Computing kpt #: 259 total cpu time spent up to now is 121.8 secs Computing kpt #: 260 total cpu time spent up to now is 122.2 secs Computing kpt #: 261 total cpu time spent up to now is 122.6 secs Computing kpt #: 262 total cpu time spent up to now is 123.0 secs Computing kpt #: 263 total cpu time spent up to now is 123.4 secs Computing kpt #: 264 total cpu time spent up to now is 123.9 secs Computing kpt #: 265 total cpu time spent up to now is 124.3 secs Computing kpt #: 266 total cpu time spent up to now is 124.7 secs Computing kpt #: 267 total cpu time spent up to now is 125.1 secs Computing kpt #: 268 total cpu time spent up to now is 125.5 secs Computing kpt #: 269 total cpu time spent up to now is 126.0 secs Computing kpt #: 270 total cpu time spent up to now is 126.4 secs Computing kpt #: 271 total cpu time spent up to now is 126.8 secs Computing kpt #: 272 total cpu time spent up to now is 127.2 secs Computing kpt #: 273 total cpu time spent up to now is 127.6 secs Computing kpt #: 274 total cpu time spent up to now is 128.1 secs Computing kpt #: 275 total cpu time spent up to now is 128.5 secs Computing kpt #: 276 total cpu time spent up to now is 128.9 secs Computing kpt #: 277 total cpu time spent up to now is 129.3 secs Computing kpt #: 278 total cpu time spent up to now is 129.8 secs Computing kpt #: 279 total cpu time spent up to now is 130.2 secs Computing kpt #: 280 total cpu time spent up to now is 130.6 secs Computing kpt #: 281 total cpu time spent up to now is 131.0 secs Computing kpt #: 282 total cpu time spent up to now is 131.5 secs Computing kpt #: 283 total cpu time spent up to now is 131.9 secs Computing kpt #: 284 total cpu time spent up to now is 132.3 secs Computing kpt #: 285 total cpu time spent up to now is 132.8 secs Computing kpt #: 286 total cpu time spent up to now is 133.2 secs Computing kpt #: 287 total cpu time spent up to now is 133.6 secs Computing kpt #: 288 total cpu time spent up to now is 134.1 secs Computing kpt #: 289 total cpu time spent up to now is 134.5 secs Computing kpt #: 290 total cpu time spent up to now is 134.9 secs Computing kpt #: 291 total cpu time spent up to now is 135.4 secs Computing kpt #: 292 total cpu time spent up to now is 135.8 secs Computing kpt #: 293 total cpu time spent up to now is 136.3 secs Computing kpt #: 294 total cpu time spent up to now is 136.7 secs Computing kpt #: 295 total cpu time spent up to now is 137.2 secs Computing kpt #: 296 total cpu time spent up to now is 137.7 secs Computing kpt #: 297 total cpu time spent up to now is 138.3 secs Computing kpt #: 298 total cpu time spent up to now is 138.8 secs Computing kpt #: 299 total cpu time spent up to now is 139.4 secs Computing kpt #: 300 total cpu time spent up to now is 140.1 secs Computing kpt #: 301 total cpu time spent up to now is 140.9 secs Computing kpt #: 302 total cpu time spent up to now is 141.6 secs Computing kpt #: 303 total cpu time spent up to now is 142.0 secs Computing kpt #: 304 total cpu time spent up to now is 142.5 secs Computing kpt #: 305 total cpu time spent up to now is 142.9 secs Computing kpt #: 306 total cpu time spent up to now is 143.4 secs Computing kpt #: 307 total cpu time spent up to now is 143.8 secs Computing kpt #: 308 total cpu time spent up to now is 144.6 secs Computing kpt #: 309 total cpu time spent up to now is 145.1 secs Computing kpt #: 310 total cpu time spent up to now is 145.8 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.1 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.4 secs Computing kpt #: 313 total cpu time spent up to now is 149.0 secs Computing kpt #: 314 total cpu time spent up to now is 149.6 secs Computing kpt #: 315 total cpu time spent up to now is 150.0 secs Computing kpt #: 316 total cpu time spent up to now is 150.6 secs Computing kpt #: 317 total cpu time spent up to now is 151.0 secs Computing kpt #: 318 total cpu time spent up to now is 151.5 secs Computing kpt #: 319 total cpu time spent up to now is 152.0 secs Computing kpt #: 320 total cpu time spent up to now is 152.4 secs Computing kpt #: 321 total cpu time spent up to now is 152.9 secs Computing kpt #: 322 total cpu time spent up to now is 153.3 secs Computing kpt #: 323 total cpu time spent up to now is 153.8 secs Computing kpt #: 324 total cpu time spent up to now is 154.2 secs Computing kpt #: 325 total cpu time spent up to now is 154.7 secs Computing kpt #: 326 total cpu time spent up to now is 155.1 secs Computing kpt #: 327 total cpu time spent up to now is 155.5 secs Computing kpt #: 328 total cpu time spent up to now is 156.0 secs Computing kpt #: 329 total cpu time spent up to now is 156.4 secs Computing kpt #: 330 total cpu time spent up to now is 156.9 secs Computing kpt #: 331 total cpu time spent up to now is 157.3 secs Computing kpt #: 332 total cpu time spent up to now is 157.8 secs Computing kpt #: 333 total cpu time spent up to now is 158.2 secs Computing kpt #: 334 total cpu time spent up to now is 158.7 secs Computing kpt #: 335 total cpu time spent up to now is 159.1 secs Computing kpt #: 336 total cpu time spent up to now is 159.5 secs Computing kpt #: 337 total cpu time spent up to now is 160.0 secs Computing kpt #: 338 total cpu time spent up to now is 160.4 secs Computing kpt #: 339 total cpu time spent up to now is 160.8 secs Computing kpt #: 340 total cpu time spent up to now is 161.3 secs Computing kpt #: 341 total cpu time spent up to now is 161.7 secs Computing kpt #: 342 total cpu time spent up to now is 162.1 secs Computing kpt #: 343 total cpu time spent up to now is 162.5 secs Computing kpt #: 344 total cpu time spent up to now is 163.0 secs Computing kpt #: 345 total cpu time spent up to now is 163.4 secs Computing kpt #: 346 total cpu time spent up to now is 163.8 secs Computing kpt #: 347 total cpu time spent up to now is 164.2 secs Computing kpt #: 348 total cpu time spent up to now is 164.7 secs Computing kpt #: 349 total cpu time spent up to now is 165.1 secs Computing kpt #: 350 total cpu time spent up to now is 165.5 secs Computing kpt #: 351 total cpu time spent up to now is 165.9 secs Computing kpt #: 352 total cpu time spent up to now is 166.4 secs Computing kpt #: 353 total cpu time spent up to now is 166.8 secs Computing kpt #: 354 total cpu time spent up to now is 167.2 secs Computing kpt #: 355 total cpu time spent up to now is 167.6 secs Computing kpt #: 356 total cpu time spent up to now is 168.1 secs Computing kpt #: 357 total cpu time spent up to now is 168.5 secs Computing kpt #: 358 total cpu time spent up to now is 168.9 secs Computing kpt #: 359 total cpu time spent up to now is 169.3 secs Computing kpt #: 360 total cpu time spent up to now is 169.8 secs Computing kpt #: 361 total cpu time spent up to now is 170.2 secs Computing kpt #: 362 total cpu time spent up to now is 170.6 secs Computing kpt #: 363 total cpu time spent up to now is 171.1 secs Computing kpt #: 364 total cpu time spent up to now is 171.5 secs Computing kpt #: 365 total cpu time spent up to now is 172.0 secs Computing kpt #: 366 total cpu time spent up to now is 172.4 secs Computing kpt #: 367 total cpu time spent up to now is 172.8 secs Computing kpt #: 368 total cpu time spent up to now is 173.3 secs Computing kpt #: 369 total cpu time spent up to now is 173.7 secs Computing kpt #: 370 total cpu time spent up to now is 174.2 secs Computing kpt #: 371 total cpu time spent up to now is 174.6 secs Computing kpt #: 372 total cpu time spent up to now is 175.1 secs Computing kpt #: 373 total cpu time spent up to now is 175.6 secs Computing kpt #: 374 total cpu time spent up to now is 176.0 secs Computing kpt #: 375 total cpu time spent up to now is 176.5 secs Computing kpt #: 376 total cpu time spent up to now is 176.9 secs Computing kpt #: 377 total cpu time spent up to now is 177.4 secs Computing kpt #: 378 total cpu time spent up to now is 177.9 secs Computing kpt #: 379 total cpu time spent up to now is 178.4 secs Computing kpt #: 380 total cpu time spent up to now is 178.8 secs Computing kpt #: 381 total cpu time spent up to now is 179.4 secs Computing kpt #: 382 total cpu time spent up to now is 179.9 secs Computing kpt #: 383 total cpu time spent up to now is 180.4 secs Computing kpt #: 384 total cpu time spent up to now is 180.9 secs Computing kpt #: 385 total cpu time spent up to now is 181.5 secs Computing kpt #: 386 total cpu time spent up to now is 182.0 secs Computing kpt #: 387 total cpu time spent up to now is 182.5 secs Computing kpt #: 388 total cpu time spent up to now is 183.1 secs Computing kpt #: 389 total cpu time spent up to now is 183.6 secs Computing kpt #: 390 total cpu time spent up to now is 184.0 secs Computing kpt #: 391 total cpu time spent up to now is 184.5 secs Computing kpt #: 392 total cpu time spent up to now is 184.9 secs Computing kpt #: 393 total cpu time spent up to now is 185.4 secs Computing kpt #: 394 total cpu time spent up to now is 185.9 secs Computing kpt #: 395 total cpu time spent up to now is 186.3 secs Computing kpt #: 396 total cpu time spent up to now is 186.8 secs Computing kpt #: 397 total cpu time spent up to now is 187.2 secs Computing kpt #: 398 total cpu time spent up to now is 187.7 secs Computing kpt #: 399 total cpu time spent up to now is 188.1 secs Computing kpt #: 400 total cpu time spent up to now is 188.5 secs Computing kpt #: 401 total cpu time spent up to now is 189.0 secs Computing kpt #: 402 total cpu time spent up to now is 189.5 secs Computing kpt #: 403 total cpu time spent up to now is 190.3 secs Computing kpt #: 404 total cpu time spent up to now is 191.5 secs ethr = 3.57E-08, avg # of iterations = 19.3 total cpu time spent up to now is 191.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1047 2.1047 4.3572 4.3572 6.9608 6.9608 7.4594 7.4594 7.6859 7.6859 8.4879 8.4879 8.6757 8.6757 9.0662 9.0662 9.2835 9.2835 11.4326 11.4326 11.6533 11.6533 11.7514 11.7514 13.3639 13.3639 13.7037 13.7037 k = 0.0000 0.0000 0.0198 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1064 2.1064 4.3576 4.3576 6.9617 6.9617 7.4600 7.4600 7.6872 7.6872 8.4878 8.4878 8.6756 8.6756 9.0656 9.0656 9.2822 9.2822 11.4330 11.4330 11.6515 11.6515 11.7496 11.7496 13.3460 13.3460 13.7101 13.7101 k = 0.0000 0.0000 0.0396 ( 3343 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.1112 2.1112 4.3589 4.3589 6.9646 6.9646 7.4617 7.4617 7.6914 7.6914 8.4875 8.4875 8.6752 8.6752 9.0637 9.0637 9.2782 9.2782 11.4341 11.4341 11.6457 11.6457 11.7444 11.7444 13.2989 13.2989 13.7241 13.7241 k = 0.0000 0.0000 0.0593 ( 3347 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.1193 2.1193 4.3610 4.3610 6.9693 6.9693 7.4646 7.4646 7.6982 7.6982 8.4869 8.4869 8.6747 8.6747 9.0606 9.0606 9.2715 9.2715 11.4359 11.4359 11.6350 11.6350 11.7374 11.7374 13.2348 13.2348 13.7383 13.7383 k = 0.0000 0.0000 0.0791 ( 3335 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6451 -37.6451 -37.5868 -37.5868 2.1305 2.1305 4.3640 4.3640 6.9759 6.9759 7.4687 7.4687 7.7077 7.7077 8.4860 8.4860 8.6742 8.6742 9.0563 9.0563 9.2623 9.2623 11.4385 11.4385 11.6185 11.6185 11.7301 11.7301 13.1624 13.1624 13.7494 13.7494 k = 0.0000 0.0000 0.0989 ( 3331 PWs) bands (ev): -73.2911 -73.2911 -42.0936 -42.0936 -37.6452 -37.6452 -37.5868 -37.5868 2.1450 2.1450 4.3679 4.3679 6.9844 6.9844 7.4739 7.4739 7.7197 7.7197 8.4846 8.4846 8.6737 8.6737 9.0507 9.0507 9.2506 9.2506 11.4418 11.4418 11.5958 11.5958 11.7239 11.7239 13.0866 13.0866 13.7566 13.7566 k = 0.0000 0.0000 0.1187 ( 3325 PWs) bands (ev): -73.2911 -73.2911 -42.0936 -42.0936 -37.6454 -37.6454 -37.5868 -37.5868 2.1626 2.1626 4.3725 4.3725 6.9947 6.9947 7.4803 7.4803 7.7342 7.7342 8.4827 8.4827 8.6734 8.6734 9.0437 9.0437 9.2364 9.2364 11.4457 11.4457 11.5672 11.5672 11.7195 11.7195 13.0102 13.0102 13.7580 13.7580 k = 0.0000 0.0000 0.1384 ( 3325 PWs) bands (ev): -73.2911 -73.2911 -42.0937 -42.0937 -37.6455 -37.6455 -37.5869 -37.5869 2.1833 2.1833 4.3780 4.3780 7.0068 7.0068 7.4878 7.4878 7.7510 7.7510 8.4799 8.4799 8.6733 8.6733 9.0352 9.0352 9.2200 9.2200 11.4501 11.4501 11.5341 11.5341 11.7166 11.7166 12.9347 12.9347 13.7512 13.7512 k = 0.0000 0.0000 0.1582 ( 3329 PWs) bands (ev): -73.2911 -73.2911 -42.0938 -42.0938 -37.6457 -37.6457 -37.5869 -37.5869 2.2071 2.2071 4.3842 4.3842 7.0207 7.0207 7.4964 7.4964 7.7698 7.7698 8.4762 8.4762 8.6736 8.6736 9.0253 9.0253 9.2015 9.2015 11.4542 11.4542 11.4985 11.4985 11.7153 11.7153 12.8612 12.8612 13.7362 13.7362 k = 0.0000 0.0000 0.1780 ( 3323 PWs) bands (ev): -73.2911 -73.2911 -42.0939 -42.0939 -37.6460 -37.6460 -37.5870 -37.5870 2.2339 2.2339 4.3911 4.3911 7.0363 7.0363 7.5062 7.5062 7.7906 7.7906 8.4714 8.4714 8.6746 8.6746 9.0138 9.0138 9.1813 9.1813 11.4485 11.4485 11.4711 11.4711 11.7152 11.7152 12.7902 12.7902 13.7153 13.7153 k = 0.0000 0.0000 0.1978 ( 3331 PWs) bands (ev): -73.2911 -73.2911 -42.0940 -42.0940 -37.6462 -37.6462 -37.5870 -37.5870 2.2636 2.2636 4.3988 4.3988 7.0537 7.0537 7.5171 7.5171 7.8130 7.8130 8.4654 8.4654 8.6764 8.6764 9.0003 9.0003 9.1594 9.1594 11.4138 11.4138 11.4722 11.4722 11.7164 11.7164 12.7221 12.7221 13.6906 13.6906 k = 0.0000 0.0000 0.2176 ( 3329 PWs) bands (ev): -73.2910 -73.2910 -42.0941 -42.0941 -37.6465 -37.6465 -37.5871 -37.5871 2.2963 2.2963 4.4071 4.4071 7.0727 7.0727 7.5292 7.5292 7.8367 7.8367 8.4580 8.4580 8.6792 8.6792 8.9849 8.9849 9.1366 9.1366 11.3740 11.3740 11.4788 11.4788 11.7188 11.7188 12.6572 12.6572 13.6630 13.6630 k = 0.0000 0.0000 0.2373 ( 3329 PWs) bands (ev): -73.2910 -73.2910 -42.0942 -42.0942 -37.6467 -37.6467 -37.5871 -37.5871 2.3317 2.3317 4.4161 4.4161 7.0933 7.0933 7.5424 7.5424 7.8613 7.8613 8.4494 8.4494 8.6829 8.6829 8.9672 8.9672 9.1131 9.1131 11.3342 11.3342 11.4865 11.4865 11.7225 11.7225 12.5956 12.5956 13.6332 13.6332 k = 0.0000 0.0000 0.2571 ( 3325 PWs) bands (ev): -73.2910 -73.2910 -42.0943 -42.0943 -37.6470 -37.6470 -37.5872 -37.5872 2.3699 2.3699 4.4257 4.4257 7.1155 7.1155 7.5567 7.5567 7.8864 7.8864 8.4394 8.4394 8.6879 8.6879 8.9469 8.9469 9.0895 9.0895 11.2955 11.2955 11.4951 11.4951 11.7276 11.7276 12.5373 12.5373 13.6016 13.6016 k = 0.0000 0.0000 0.2769 ( 3325 PWs) bands (ev): -73.2910 -73.2910 -42.0945 -42.0945 -37.6474 -37.6474 -37.5873 -37.5873 2.4108 2.4108 4.4359 4.4359 7.1392 7.1392 7.5722 7.5722 7.9114 7.9114 8.4281 8.4281 8.6942 8.6942 8.9237 8.9237 9.0665 9.0665 11.2586 11.2586 11.5042 11.5042 11.7342 11.7342 12.4823 12.4823 13.5687 13.5687 k = 0.0000 0.0000 0.2967 ( 3327 PWs) bands (ev): -73.2909 -73.2909 -42.0946 -42.0946 -37.6477 -37.6477 -37.5873 -37.5873 2.4542 2.4542 4.4465 4.4465 7.1643 7.1643 7.5886 7.5886 7.9357 7.9357 8.4155 8.4155 8.7018 8.7018 8.8977 8.8977 9.0447 9.0447 11.2243 11.2243 11.5139 11.5139 11.7423 11.7423 12.4305 12.4305 13.5349 13.5349 k = 0.0000 0.0000 0.3164 ( 3327 PWs) bands (ev): -73.2909 -73.2909 -42.0948 -42.0948 -37.6481 -37.6481 -37.5874 -37.5874 2.5001 2.5001 4.4576 4.4576 7.1907 7.1907 7.6062 7.6062 7.9587 7.9587 8.4018 8.4018 8.7106 8.7106 8.8687 8.8687 9.0245 9.0245 11.1928 11.1928 11.5240 11.5240 11.7521 11.7521 12.3819 12.3819 13.5005 13.5005 k = 0.0000 0.0000 0.3362 ( 3329 PWs) bands (ev): -73.2909 -73.2909 -42.0949 -42.0949 -37.6485 -37.6485 -37.5875 -37.5875 2.5483 2.5483 4.4691 4.4691 7.2183 7.2183 7.6248 7.6248 7.9798 7.9798 8.3872 8.3872 8.7204 8.7204 8.8370 8.8370 9.0065 9.0065 11.1648 11.1648 11.5346 11.5346 11.7638 11.7638 12.3361 12.3361 13.4658 13.4658 k = 0.0000 0.0000 0.3560 ( 3329 PWs) bands (ev): -73.2908 -73.2908 -42.0951 -42.0951 -37.6489 -37.6489 -37.5876 -37.5876 2.5988 2.5988 4.4810 4.4810 7.2471 7.2471 7.6443 7.6443 7.9983 7.9983 8.3718 8.3718 8.7307 8.7307 8.8033 8.8033 8.9913 8.9913 11.1405 11.1405 11.5454 11.5454 11.7773 11.7773 12.2931 12.2931 13.4314 13.4314 k = 0.0000 0.0000 0.3758 ( 3329 PWs) bands (ev): -73.2908 -73.2908 -42.0953 -42.0953 -37.6493 -37.6493 -37.5877 -37.5877 2.6514 2.6514 4.4931 4.4931 7.2768 7.2768 7.6649 7.6649 8.0134 8.0134 8.3558 8.3558 8.7398 8.7398 8.7685 8.7685 8.9800 8.9800 11.1203 11.1203 11.5566 11.5566 11.7930 11.7930 12.2525 12.2525 13.3976 13.3976 k = 0.0000 0.0000 0.3956 ( 3325 PWs) bands (ev): -73.2908 -73.2908 -42.0954 -42.0954 -37.6497 -37.6497 -37.5877 -37.5877 2.7059 2.7059 4.5055 4.5055 7.3074 7.3074 7.6864 7.6864 8.0248 8.0248 8.3394 8.3394 8.7279 8.7279 8.7516 8.7516 8.9740 8.9740 11.1044 11.1044 11.5679 11.5679 11.8107 11.8107 12.2142 12.2142 13.3647 13.3647 k = 0.0000 0.0000 0.4153 ( 3341 PWs) bands (ev): -73.2907 -73.2907 -42.0956 -42.0956 -37.6502 -37.6502 -37.5878 -37.5878 2.7622 2.7622 4.5181 4.5181 7.3386 7.3386 7.7087 7.7087 8.0320 8.0320 8.3227 8.3227 8.6912 8.6912 8.7550 8.7550 8.9750 8.9750 11.0931 11.0931 11.5792 11.5792 11.8306 11.8306 12.1778 12.1778 13.3332 13.3332 k = 0.0000 0.0000 0.4351 ( 3345 PWs) bands (ev): -73.2907 -73.2907 -42.0958 -42.0958 -37.6507 -37.6507 -37.5879 -37.5879 2.8202 2.8202 4.5307 4.5307 7.3703 7.3703 7.7317 7.7317 8.0348 8.0348 8.3060 8.3060 8.6531 8.6531 8.7543 8.7543 8.9843 8.9843 11.0865 11.0865 11.5906 11.5906 11.8528 11.8528 12.1430 12.1430 13.3034 13.3034 k = 0.0000 0.0000 0.4549 ( 3345 PWs) bands (ev): -73.2907 -73.2907 -42.0960 -42.0960 -37.6511 -37.6511 -37.5880 -37.5880 2.8798 2.8798 4.5434 4.5434 7.4023 7.4023 7.7554 7.7554 8.0333 8.0333 8.2894 8.2894 8.6148 8.6148 8.7485 8.7485 9.0019 9.0019 11.0847 11.0847 11.6018 11.6018 11.8774 11.8774 12.1097 12.1097 13.2757 13.2757 k = 0.0000 0.0000 0.4747 ( 3349 PWs) bands (ev): -73.2906 -73.2906 -42.0962 -42.0962 -37.6516 -37.6516 -37.5881 -37.5881 2.9406 2.9406 4.5561 4.5561 7.4342 7.4342 7.7795 7.7795 8.0277 8.0277 8.2731 8.2731 8.5767 8.5767 8.7384 8.7384 9.0265 9.0265 11.0881 11.0881 11.6129 11.6129 11.9043 11.9043 12.0775 12.0775 13.2505 13.2505 k = 0.0000 0.0000 0.4944 ( 3343 PWs) bands (ev): -73.2906 -73.2906 -42.0965 -42.0965 -37.6521 -37.6521 -37.5882 -37.5882 3.0027 3.0027 4.5687 4.5687 7.4657 7.4657 7.8038 7.8038 8.0184 8.0184 8.2573 8.2573 8.5393 8.5393 8.7252 8.7252 9.0562 9.0562 11.0966 11.0966 11.6236 11.6236 11.9336 11.9336 12.0463 12.0463 13.2282 13.2282 k = 0.0000 0.0000 0.5142 ( 3351 PWs) bands (ev): -73.2905 -73.2905 -42.0967 -42.0967 -37.6526 -37.6526 -37.5884 -37.5884 3.0657 3.0657 4.5812 4.5812 7.4964 7.4964 7.8279 7.8279 8.0058 8.0058 8.2424 8.2424 8.5027 8.5027 8.7103 8.7103 9.0893 9.0893 11.1105 11.1105 11.6337 11.6337 11.9645 11.9645 12.0165 12.0165 13.2088 13.2088 k = 0.0000 0.0000 0.5340 ( 3351 PWs) bands (ev): -73.2905 -73.2905 -42.0969 -42.0969 -37.6532 -37.6532 -37.5885 -37.5885 3.1296 3.1296 4.5935 4.5935 7.5259 7.5259 7.8513 7.8513 7.9906 7.9906 8.2286 8.2286 8.4674 8.4674 8.6949 8.6949 9.1242 9.1242 11.1299 11.1299 11.6433 11.6433 11.9790 11.9790 12.0061 12.0061 13.1928 13.1928 k = 0.0000 0.0000 0.5538 ( 3349 PWs) bands (ev): -73.2904 -73.2904 -42.0971 -42.0971 -37.6537 -37.6537 -37.5886 -37.5886 3.1940 3.1940 4.6055 4.6055 7.5535 7.5535 7.8730 7.8730 7.9736 7.9736 8.2168 8.2168 8.4335 8.4335 8.6801 8.6801 9.1593 9.1593 11.1550 11.1550 11.6521 11.6521 11.9523 11.9523 12.0397 12.0397 13.1803 13.1803 k = 0.0000 0.0000 0.5736 ( 3357 PWs) bands (ev): -73.2904 -73.2904 -42.0973 -42.0973 -37.6542 -37.6542 -37.5887 -37.5887 3.2589 3.2589 4.6172 4.6172 7.5786 7.5786 7.8915 7.8915 7.9561 7.9561 8.2076 8.2076 8.4013 8.4013 8.6667 8.6667 9.1935 9.1935 11.1861 11.1861 11.6601 11.6601 11.9228 11.9228 12.0790 12.0790 13.1714 13.1714 k = 0.0000 0.0000 0.5933 ( 3353 PWs) bands (ev): -73.2903 -73.2903 -42.0976 -42.0976 -37.6548 -37.6548 -37.5888 -37.5888 3.3240 3.3240 4.6285 4.6285 7.6003 7.6003 7.9029 7.9029 7.9415 7.9415 8.2024 8.2024 8.3709 8.3709 8.6558 8.6558 9.2256 9.2256 11.2232 11.2232 11.6669 11.6669 11.8930 11.8930 12.1212 12.1212 13.1661 13.1661 k = 0.0000 0.0000 0.6131 ( 3361 PWs) bands (ev): -73.2903 -73.2903 -42.0978 -42.0978 -37.6553 -37.6553 -37.5889 -37.5889 3.3891 3.3891 4.6394 4.6394 7.6179 7.6179 7.8986 7.8986 7.9374 7.9374 8.2020 8.2020 8.3427 8.3427 8.6480 8.6480 9.2546 9.2546 11.2666 11.2666 11.6726 11.6726 11.8632 11.8632 12.1662 12.1662 13.1646 13.1646 k = 0.0000 0.0000 0.6329 ( 3361 PWs) bands (ev): -73.2903 -73.2903 -42.0980 -42.0980 -37.6559 -37.6559 -37.5890 -37.5890 3.4541 3.4541 4.6499 4.6499 7.6304 7.6304 7.8830 7.8830 7.9395 7.9395 8.2071 8.2071 8.3175 8.3175 8.6445 8.6445 9.2795 9.2795 11.3164 11.3164 11.6769 11.6769 11.8335 11.8335 12.2138 12.2138 13.1667 13.1667 k = 0.0000 0.0000 0.6527 ( 3353 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6564 -37.6564 -37.5891 -37.5891 3.5186 3.5186 4.6598 4.6598 7.6369 7.6369 7.8652 7.8652 7.9390 7.9390 8.2155 8.2155 8.2973 8.2973 8.6460 8.6460 9.2998 9.2998 11.3729 11.3729 11.6797 11.6797 11.8040 11.8040 12.2641 12.2641 13.1724 13.1724 k = 0.0000 0.0000 0.6724 ( 3353 PWs) bands (ev): -73.2902 -73.2902 -42.0985 -42.0985 -37.6570 -37.6570 -37.5893 -37.5893 3.5826 3.5826 4.6692 4.6692 7.6370 7.6370 7.8479 7.8479 7.9341 7.9341 8.2196 8.2196 8.2892 8.2892 8.6532 8.6532 9.3147 9.3147 11.4357 11.4357 11.6809 11.6809 11.7749 11.7749 12.3171 12.3171 13.1815 13.1815 k = 0.0000 0.0000 0.6922 ( 3357 PWs) bands (ev): -73.2901 -73.2901 -42.0987 -42.0987 -37.6575 -37.6575 -37.5894 -37.5894 3.6459 3.6459 4.6779 4.6779 7.6304 7.6304 7.8319 7.8319 7.9255 7.9255 8.2105 8.2105 8.3009 8.3009 8.6665 8.6665 9.3239 9.3239 11.5047 11.5047 11.6806 11.6806 11.7464 11.7464 12.3727 12.3727 13.1939 13.1939 k = 0.0000 0.0000 0.7120 ( 3349 PWs) bands (ev): -73.2901 -73.2901 -42.0989 -42.0989 -37.6580 -37.6580 -37.5895 -37.5895 3.7081 3.7081 4.6861 4.6861 7.6176 7.6176 7.8172 7.8172 7.9141 7.9141 8.1928 8.1928 8.3268 8.3268 8.6862 8.6862 9.3271 9.3271 11.5779 11.5779 11.6798 11.6798 11.7195 11.7195 12.4310 12.4310 13.2093 13.2093 k = 0.0000 0.0000 0.7318 ( 3349 PWs) bands (ev): -73.2900 -73.2900 -42.0992 -42.0992 -37.6586 -37.6586 -37.5896 -37.5896 3.7693 3.7693 4.6936 4.6936 7.5996 7.5996 7.8035 7.8035 7.9009 7.9009 8.1721 8.1721 8.3598 8.3598 8.7123 8.7123 9.3243 9.3243 11.6398 11.6398 11.6829 11.6829 11.7048 11.7048 12.4918 12.4918 13.2276 13.2276 k = 0.0000 0.0000 0.7516 ( 3349 PWs) bands (ev): -73.2900 -73.2900 -42.0994 -42.0994 -37.6591 -37.6591 -37.5897 -37.5897 3.8291 3.8291 4.7005 4.7005 7.5774 7.5774 7.7901 7.7901 7.8867 7.8867 8.1508 8.1508 8.3970 8.3970 8.7445 8.7445 9.3155 9.3155 11.6457 11.6457 11.6688 11.6688 11.7680 11.7680 12.5553 12.5553 13.2485 13.2486 k = 0.0000 0.0000 0.7713 ( 3355 PWs) bands (ev): -73.2899 -73.2899 -42.0996 -42.0996 -37.6597 -37.6597 -37.5898 -37.5898 3.8875 3.8875 4.7067 4.7067 7.5520 7.5520 7.7770 7.7770 7.8718 7.8718 8.1294 8.1294 8.4371 8.4371 8.7823 8.7823 9.3011 9.3011 11.6270 11.6270 11.6553 11.6553 11.8595 11.8595 12.6214 12.6214 13.2718 13.2718 k = 0.0000 0.0000 0.7911 ( 3359 PWs) bands (ev): -73.2899 -73.2899 -42.0999 -42.0999 -37.6602 -37.6602 -37.5899 -37.5899 3.9443 3.9443 4.7123 4.7123 7.5244 7.5244 7.7637 7.7637 7.8568 7.8568 8.1085 8.1085 8.4795 8.4795 8.8253 8.8253 9.2814 9.2814 11.6038 11.6038 11.6424 11.6424 11.9590 11.9590 12.6901 12.6901 13.2972 13.2972 k = 0.0000 0.0000 0.8109 ( 3355 PWs) bands (ev): -73.2898 -73.2898 -42.1001 -42.1001 -37.6607 -37.6607 -37.5900 -37.5900 3.9994 3.9994 4.7172 4.7172 7.4952 7.4952 7.7505 7.7505 7.8417 7.8417 8.0883 8.0883 8.5236 8.5236 8.8730 8.8730 9.2567 9.2567 11.5803 11.5803 11.6276 11.6276 12.0644 12.0644 12.7614 12.7614 13.3244 13.3244 k = 0.0000 0.0000 0.8307 ( 3349 PWs) bands (ev): -73.2898 -73.2898 -42.1003 -42.1003 -37.6612 -37.6612 -37.5902 -37.5902 4.0526 4.0526 4.7214 4.7214 7.4648 7.4648 7.7374 7.7374 7.8268 7.8268 8.0689 8.0689 8.5692 8.5692 8.9246 8.9246 9.2278 9.2278 11.5575 11.5575 11.6104 11.6104 12.1747 12.1747 12.8352 12.8352 13.3532 13.3532 k = 0.0000 0.0000 0.8505 ( 3355 PWs) bands (ev): -73.2897 -73.2897 -42.1005 -42.1005 -37.6617 -37.6617 -37.5903 -37.5903 4.1039 4.1039 4.7251 4.7251 7.4336 7.4336 7.7246 7.7246 7.8121 7.8121 8.0504 8.0504 8.6159 8.6159 8.9792 8.9792 9.1953 9.1953 11.5358 11.5358 11.5908 11.5908 12.2892 12.2892 12.9116 12.9116 13.3832 13.3832 k = 0.0000 0.0000 0.8702 ( 3355 PWs) bands (ev): -73.2897 -73.2897 -42.1007 -42.1007 -37.6622 -37.6622 -37.5904 -37.5904 4.1532 4.1532 4.7281 4.7281 7.4018 7.4018 7.7122 7.7122 7.7977 7.7977 8.0329 8.0329 8.6638 8.6638 9.0349 9.0349 9.1613 9.1613 11.5154 11.5154 11.5687 11.5687 12.4073 12.4073 12.9904 12.9904 13.4142 13.4142 k = 0.0000 0.0000 0.8900 ( 3351 PWs) bands (ev): -73.2897 -73.2897 -42.1009 -42.1009 -37.6627 -37.6627 -37.5905 -37.5905 4.2004 4.2004 4.7305 4.7305 7.3699 7.3699 7.7006 7.7006 7.7836 7.7836 8.0166 8.0166 8.7126 8.7126 9.0789 9.0789 9.1386 9.1386 11.4963 11.4963 11.5442 11.5442 12.5286 12.5286 13.0718 13.0718 13.4459 13.4459 k = 0.0000 0.0000 0.9098 ( 3351 PWs) bands (ev): -73.2896 -73.2896 -42.1011 -42.1011 -37.6631 -37.6631 -37.5906 -37.5906 4.2455 4.2455 4.7324 4.7324 7.3379 7.3379 7.6898 7.6898 7.7698 7.7698 8.0015 8.0015 8.7621 8.7621 9.0627 9.0627 9.1758 9.1758 11.4786 11.4786 11.5173 11.5173 12.6525 12.6525 13.1557 13.1557 13.4781 13.4781 k = 0.0000 0.0000 0.9296 ( 3349 PWs) bands (ev): -73.2896 -73.2896 -42.1013 -42.1013 -37.6636 -37.6636 -37.5907 -37.5907 4.2884 4.2884 4.7337 4.7337 7.3061 7.3061 7.6799 7.6799 7.7564 7.7564 7.9875 7.9875 8.8122 8.8122 9.0220 9.0220 9.2372 9.2372 11.4624 11.4624 11.4882 11.4882 12.7783 12.7783 13.2420 13.2420 13.5104 13.5104 k = 0.0000 0.0000 0.9493 ( 3353 PWs) bands (ev): -73.2895 -73.2895 -42.1015 -42.1015 -37.6640 -37.6640 -37.5908 -37.5908 4.3292 4.3292 4.7346 4.7346 7.2747 7.2747 7.6710 7.6710 7.7436 7.7436 7.9748 7.9748 8.8625 8.8625 8.9772 8.9772 9.3024 9.3024 11.4476 11.4476 11.4569 11.4569 12.9057 12.9057 13.3307 13.3307 13.5426 13.5426 k = 0.0000 0.0000 0.9691 ( 3347 PWs) bands (ev): -73.2895 -73.2895 -42.1016 -42.1016 -37.6644 -37.6644 -37.5908 -37.5908 4.3678 4.3678 4.7351 4.7351 7.2437 7.2437 7.6631 7.6631 7.7313 7.7313 7.9633 7.9633 8.9093 8.9093 8.9345 8.9345 9.3692 9.3692 11.4234 11.4234 11.4347 11.4347 13.0339 13.0339 13.4217 13.4217 13.5745 13.5745 k = 0.0000 0.0000 0.9889 ( 3349 PWs) bands (ev): -73.2895 -73.2895 -42.1018 -42.1018 -37.6648 -37.6648 -37.5909 -37.5909 4.4041 4.4041 4.7351 4.7351 7.2134 7.2134 7.6561 7.6561 7.7197 7.7197 7.9530 7.9530 8.8797 8.8797 8.9673 8.9673 9.4365 9.4365 11.3884 11.3884 11.4231 11.4231 13.1624 13.1624 13.5148 13.5148 13.6061 13.6061 k = 0.0000 0.0000 1.0087 ( 3351 PWs) bands (ev): -73.2894 -73.2894 -42.1020 -42.1020 -37.6652 -37.6652 -37.5910 -37.5910 4.4383 4.4383 4.7349 4.7349 7.1839 7.1839 7.6500 7.6500 7.7092 7.7092 7.9437 7.9437 8.8316 8.8316 9.0181 9.0181 9.5036 9.5036 11.3517 11.3517 11.4130 11.4130 13.2905 13.2905 13.6081 13.6081 13.6391 13.6391 k = 0.0000 0.0000 1.0285 ( 3351 PWs) bands (ev): -73.2894 -73.2894 -42.1021 -42.1021 -37.6655 -37.6655 -37.5911 -37.5911 4.4704 4.4704 4.7343 4.7343 7.1554 7.1554 7.6443 7.6443 7.7000 7.7000 7.9356 7.9356 8.7830 8.7830 9.0694 9.0694 9.5701 9.5701 11.3136 11.3136 11.4044 11.4044 13.4173 13.4173 13.6625 13.6625 13.7123 13.7123 k = 0.0000 0.0000 1.0482 ( 3341 PWs) bands (ev): -73.2894 -73.2894 -42.1023 -42.1023 -37.6659 -37.6659 -37.5912 -37.5912 4.5002 4.5002 4.7335 4.7335 7.1280 7.1280 7.6387 7.6387 7.6925 7.6925 7.9285 7.9285 8.7345 8.7345 9.1206 9.1206 9.6355 9.6355 11.2745 11.2745 11.3974 11.3974 13.5418 13.5418 13.6927 13.6927 13.8116 13.8116 k = 0.0000 0.0000 1.0680 ( 3341 PWs) bands (ev): -73.2893 -73.2893 -42.1024 -42.1024 -37.6662 -37.6662 -37.5912 -37.5912 4.5280 4.5280 4.7325 4.7325 7.1019 7.1019 7.6328 7.6328 7.6873 7.6873 7.9223 7.9223 8.6866 8.6866 9.1713 9.1713 9.6990 9.6990 11.2345 11.2345 11.3917 11.3917 13.6594 13.6594 13.7249 13.7249 13.9140 13.9140 k = 0.0000 0.0000 1.0878 ( 3341 PWs) bands (ev): -73.2893 -73.2893 -42.1025 -42.1025 -37.6665 -37.6665 -37.5913 -37.5913 4.5536 4.5536 4.7313 4.7313 7.0770 7.0770 7.6264 7.6264 7.6845 7.6845 7.9170 7.9170 8.6397 8.6397 9.2213 9.2213 9.7603 9.7603 11.1940 11.1940 11.3875 11.3875 13.7306 13.7306 13.7987 13.7987 14.0188 14.0188 k = 0.0000 0.0000 1.1076 ( 3333 PWs) bands (ev): -73.2893 -73.2893 -42.1026 -42.1026 -37.6668 -37.6668 -37.5913 -37.5913 4.5772 4.5772 4.7300 4.7300 7.0538 7.0538 7.6194 7.6194 7.6842 7.6842 7.9125 7.9125 8.5941 8.5941 9.2704 9.2704 9.8188 9.8188 11.1534 11.1534 11.3845 11.3845 13.7585 13.7585 13.9100 13.9100 14.1257 14.1257 k = 0.0000 0.0000 1.1273 ( 3331 PWs) bands (ev): -73.2893 -73.2893 -42.1028 -42.1028 -37.6670 -37.6670 -37.5914 -37.5914 4.5986 4.5986 4.7287 4.7287 7.0321 7.0321 7.6121 7.6121 7.6861 7.6861 7.9088 7.9088 8.5501 8.5501 9.3180 9.3180 9.8739 9.8739 11.1132 11.1132 11.3827 11.3827 13.7805 13.7805 14.0207 14.0207 14.2347 14.2347 k = 0.0000 0.0000 1.1471 ( 3331 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6673 -37.6673 -37.5915 -37.5915 4.6180 4.6180 4.7274 4.7274 7.0121 7.0121 7.6047 7.6047 7.6897 7.6897 7.9058 7.9058 8.5082 8.5082 9.3639 9.3639 9.9253 9.9253 11.0738 11.0738 11.3819 11.3819 13.7997 13.7997 14.1267 14.1267 14.3456 14.3456 k = 0.0000 0.0000 1.1669 ( 3331 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6675 -37.6675 -37.5915 -37.5915 4.6354 4.6354 4.7260 4.7260 6.9939 6.9939 7.5976 7.5976 7.6947 7.6947 7.9033 7.9033 8.4687 8.4687 9.4076 9.4076 9.9724 9.9724 11.0357 11.0357 11.3821 11.3821 13.8166 13.8166 14.2266 14.2266 14.4582 14.4582 k = 0.0000 0.0000 1.1867 ( 3339 PWs) bands (ev): -73.2892 -73.2892 -42.1030 -42.1030 -37.6677 -37.6677 -37.5915 -37.5915 4.6507 4.6507 4.7248 4.7248 6.9776 6.9776 7.5910 7.5910 7.7005 7.7005 7.9015 7.9015 8.4320 8.4320 9.4484 9.4484 10.0148 10.0148 10.9995 10.9995 11.3829 11.3829 13.8314 13.8314 14.3193 14.3193 14.5722 14.5722 k = 0.0000 0.0000 1.2065 ( 3331 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6678 -37.6678 -37.5916 -37.5916 4.6640 4.6640 4.7236 4.7236 6.9633 6.9633 7.5850 7.5850 7.7070 7.7070 7.9003 7.9003 8.3985 8.3985 9.4860 9.4860 10.0523 10.0523 10.9659 10.9659 11.3843 11.3843 13.8440 13.8440 14.4039 14.4039 14.6871 14.6871 k = 0.0000 0.0000 1.2262 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6680 -37.6680 -37.5916 -37.5916 4.6753 4.6753 4.7224 4.7224 6.9511 6.9511 7.5797 7.5797 7.7136 7.7136 7.8995 7.8995 8.3688 8.3688 9.5194 9.5194 10.0844 10.0844 10.9356 10.9356 11.3859 11.3859 13.8546 13.8546 14.4792 14.4792 14.7991 14.7991 k = 0.0000 0.0000 1.2460 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.6846 4.6846 4.7214 4.7214 6.9410 6.9410 7.5752 7.5752 7.7198 7.7198 7.8990 7.8990 8.3434 8.3434 9.5483 9.5483 10.1111 10.1111 10.9094 10.9094 11.3877 11.3877 13.8632 13.8632 14.5442 14.5442 14.8493 14.8493 k = 0.0000 0.0000 1.2658 ( 3346 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6682 -37.6682 -37.5916 -37.5916 4.6919 4.6919 4.7205 4.7205 6.9331 6.9331 7.5717 7.5717 7.7252 7.7252 7.8989 7.8989 8.3229 8.3229 9.5716 9.5716 10.1319 10.1319 10.8880 10.8880 11.3892 11.3892 13.8699 13.8699 14.5977 14.5977 14.8607 14.8607 k = 0.0000 0.0000 1.2856 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.6972 4.6972 4.7198 4.7198 6.9274 6.9274 7.5691 7.5691 7.7295 7.7295 7.8989 7.8989 8.3077 8.3077 9.5889 9.5889 10.1470 10.1470 10.8721 10.8721 11.3905 11.3905 13.8746 13.8746 14.6381 14.6381 14.8663 14.8663 k = 0.0000 0.0000 1.3053 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7005 4.7005 4.7193 4.7193 6.9240 6.9240 7.5676 7.5676 7.7322 7.7322 7.8989 7.8989 8.2984 8.2984 9.5995 9.5995 10.1560 10.1560 10.8623 10.8623 11.3914 11.3914 13.8774 13.8774 14.6636 14.6636 14.8685 14.8685 k = 0.0000 0.0000 1.3251 ( 3346 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7016 4.7016 4.7191 4.7191 6.9229 6.9229 7.5670 7.5670 7.7331 7.7331 7.8990 7.8990 8.2952 8.2952 9.6030 9.6030 10.1591 10.1591 10.8590 10.8590 11.3917 11.3917 13.8783 13.8783 14.6723 14.6723 14.8690 14.8690 k = 0.0000 0.0000 1.3251 ( 3346 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7016 4.7016 4.7191 4.7191 6.9229 6.9229 7.5670 7.5670 7.7331 7.7331 7.8990 7.8990 8.2952 8.2952 9.6030 9.6030 10.1591 10.1591 10.8590 10.8590 11.3917 11.3917 13.8783 13.8783 14.6723 14.6723 14.8690 14.8690 k =-0.0069 0.0170 1.3251 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7015 4.7015 4.7186 4.7186 6.9241 6.9241 7.5675 7.5675 7.7334 7.7334 7.8988 7.8988 8.2966 8.2966 9.6006 9.6006 10.1589 10.1589 10.8537 10.8537 11.3922 11.3922 13.8765 13.8765 14.6678 14.6678 14.8646 14.8646 k =-0.0138 0.0340 1.3251 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7015 4.7015 4.7170 4.7170 6.9277 6.9277 7.5688 7.5688 7.7341 7.7341 7.8984 7.8984 8.3007 8.3007 9.5932 9.5932 10.1585 10.1585 10.8379 10.8379 11.3938 11.3938 13.8708 13.8708 14.6544 14.6544 14.8515 14.8515 k =-0.0208 0.0509 1.3251 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6682 -37.6682 -37.5916 -37.5916 4.7011 4.7011 4.7146 4.7146 6.9337 6.9337 7.5710 7.5710 7.7355 7.7355 7.8978 7.8978 8.3076 8.3076 9.5811 9.5811 10.1577 10.1577 10.8119 10.8119 11.3965 11.3965 13.8612 13.8612 14.6328 14.6328 14.8303 14.8303 k =-0.0277 0.0679 1.3251 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.6999 4.6999 4.7118 4.7118 6.9420 6.9420 7.5740 7.5740 7.7373 7.7373 7.8970 7.8970 8.3171 8.3171 9.5642 9.5642 10.1566 10.1566 10.7763 10.7763 11.4001 11.4001 13.8473 13.8473 14.6036 14.6036 14.8019 14.8019 k =-0.0346 0.0849 1.3251 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6680 -37.6680 -37.5916 -37.5916 4.6968 4.6968 4.7097 4.7097 6.9527 6.9527 7.5778 7.5778 7.7397 7.7397 7.8962 7.8962 8.3292 8.3292 9.5428 9.5428 10.1551 10.1551 10.7316 10.7316 11.4045 11.4045 13.8289 13.8289 14.5678 14.5678 14.7672 14.7672 k =-0.0415 0.1019 1.3251 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6679 -37.6679 -37.5916 -37.5916 4.6911 4.6911 4.7089 4.7089 6.9656 6.9656 7.5825 7.5825 7.7427 7.7427 7.8956 7.8956 8.3437 8.3437 9.5173 9.5173 10.1532 10.1532 10.6787 10.6787 11.4095 11.4095 13.8056 13.8056 14.5260 14.5260 14.7274 14.7274 k =-0.0415 0.1019 1.3251 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6679 -37.6679 -37.5916 -37.5916 4.6911 4.6911 4.7089 4.7089 6.9656 6.9656 7.5825 7.5825 7.7427 7.7427 7.8956 7.8956 8.3437 8.3437 9.5173 9.5173 10.1532 10.1532 10.6787 10.6787 11.4095 11.4095 13.8056 13.8056 14.5260 14.5260 14.7274 14.7274 k =-0.0467 0.1146 1.3113 ( 3334 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6678 -37.6678 -37.5916 -37.5916 4.6852 4.6852 4.7086 4.7086 6.9774 6.9774 7.5866 7.5866 7.7447 7.7447 7.8957 7.8957 8.3577 8.3577 9.4935 9.4935 10.1505 10.1505 10.6353 10.6353 11.4135 11.4135 13.7839 13.7839 14.4834 14.4834 14.6967 14.6967 k =-0.0519 0.1274 1.2975 ( 3328 PWs) bands (ev): -73.2892 -73.2892 -42.1030 -42.1030 -37.6676 -37.6676 -37.5915 -37.5915 4.6781 4.6781 4.7076 4.7076 6.9915 6.9915 7.5916 7.5916 7.7460 7.7460 7.8970 7.8970 8.3756 8.3756 9.4637 9.4637 10.1464 10.1464 10.5907 10.5907 11.4177 11.4177 13.7575 13.7575 14.4223 14.4223 14.6694 14.6694 k =-0.0571 0.1402 1.2837 ( 3328 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6675 -37.6675 -37.5915 -37.5915 4.6700 4.6700 4.7058 4.7058 7.0078 7.0078 7.5971 7.5971 7.7465 7.7465 7.8997 7.8997 8.3973 8.3973 9.4278 9.4278 10.1415 10.1415 10.5450 10.5450 11.4219 11.4219 13.7261 13.7261 14.3455 14.3455 14.6447 14.6447 k =-0.0623 0.1530 1.2699 ( 3327 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6673 -37.6673 -37.5915 -37.5915 4.6608 4.6608 4.7030 4.7030 7.0264 7.0264 7.6031 7.6031 7.7465 7.7465 7.9041 7.9041 8.4226 8.4226 9.3861 9.3861 10.1362 10.1362 10.4985 10.4985 11.4260 11.4260 13.6896 13.6896 14.2572 14.2572 14.6206 14.6206 k =-0.0676 0.1658 1.2561 ( 3327 PWs) bands (ev): -73.2892 -73.2892 -42.1028 -42.1028 -37.6671 -37.6671 -37.5914 -37.5914 4.6504 4.6504 4.6991 4.6991 7.0472 7.0472 7.6094 7.6094 7.7465 7.7465 7.9103 7.9103 8.4512 8.4512 9.3391 9.3391 10.1312 10.1312 10.4513 10.4513 11.4298 11.4298 13.6479 13.6479 14.1610 14.1610 14.5953 14.5953 k =-0.0728 0.1786 1.2423 ( 3323 PWs) bands (ev): -73.2893 -73.2893 -42.1027 -42.1027 -37.6669 -37.6669 -37.5914 -37.5914 4.6390 4.6390 4.6940 4.6940 7.0701 7.0701 7.6157 7.6157 7.7468 7.7468 7.9183 7.9183 8.4830 8.4830 9.2872 9.2872 10.1264 10.1264 10.4040 10.4040 11.4332 11.4332 13.6012 13.6012 14.0598 14.0598 14.5676 14.5676 k =-0.0780 0.1914 1.2285 ( 3323 PWs) bands (ev): -73.2893 -73.2893 -42.1026 -42.1026 -37.6667 -37.6667 -37.5913 -37.5913 4.6263 4.6263 4.6878 4.6878 7.0950 7.0950 7.6217 7.6217 7.7480 7.7480 7.9279 7.9279 8.5178 8.5178 9.2311 9.2311 10.1221 10.1221 10.3569 10.3569 11.4359 11.4359 13.5497 13.5497 13.9556 13.9556 14.5366 14.5366 k =-0.0832 0.2042 1.2147 ( 3329 PWs) bands (ev): -73.2893 -73.2893 -42.1025 -42.1025 -37.6664 -37.6664 -37.5913 -37.5913 4.6123 4.6123 4.6804 4.6804 7.1218 7.1218 7.6274 7.6274 7.7508 7.7508 7.9390 7.9390 8.5555 8.5555 9.1715 9.1715 10.1177 10.1177 10.3109 10.3109 11.4380 11.4380 13.4937 13.4937 13.8500 13.8500 14.5018 14.5018 k =-0.0884 0.2169 1.2008 ( 3332 PWs) bands (ev): -73.2893 -73.2893 -42.1024 -42.1024 -37.6661 -37.6661 -37.5912 -37.5912 4.5969 4.5969 4.6716 4.6716 7.1503 7.1503 7.6326 7.6326 7.7554 7.7554 7.9515 7.9515 8.5959 8.5959 9.1089 9.1089 10.1126 10.1126 10.2671 10.2671 11.4391 11.4391 13.4336 13.4336 13.7441 13.7441 14.4629 14.4629 k =-0.0936 0.2297 1.1870 ( 3330 PWs) bands (ev): -73.2894 -73.2894 -42.1022 -42.1022 -37.6659 -37.6659 -37.5911 -37.5911 4.5802 4.5802 4.6615 4.6615 7.1805 7.1805 7.6374 7.6374 7.7621 7.7621 7.9652 7.9652 8.6390 8.6390 9.0442 9.0442 10.1050 10.1050 10.2277 10.2277 11.4393 11.4393 13.3698 13.3698 13.6387 13.6387 14.4197 14.4197 k =-0.0988 0.2425 1.1732 ( 3334 PWs) bands (ev): -73.2894 -73.2894 -42.1021 -42.1021 -37.6656 -37.6656 -37.5910 -37.5910 4.5620 4.5620 4.6501 4.6501 7.2123 7.2123 7.6420 7.6420 7.7708 7.7708 7.9799 7.9799 8.6847 8.6847 8.9780 8.9780 10.0915 10.0915 10.1964 10.1964 11.4385 11.4385 13.3029 13.3029 13.5346 13.5346 14.3723 14.3723 k =-0.1040 0.2553 1.1594 ( 3338 PWs) bands (ev): -73.2894 -73.2894 -42.1020 -42.1020 -37.6653 -37.6653 -37.5910 -37.5910 4.5423 4.5423 4.6372 4.6372 7.2453 7.2453 7.6467 7.6467 7.7813 7.7813 7.9955 7.9955 8.7328 8.7328 8.9109 8.9109 10.0689 10.0689 10.1767 10.1767 11.4366 11.4366 13.2331 13.2331 13.4322 13.4322 14.3205 14.3205 k =-0.1092 0.2681 1.1456 ( 3336 PWs) bands (ev): -73.2894 -73.2894 -42.1018 -42.1018 -37.6649 -37.6649 -37.5909 -37.5909 4.5212 4.5212 4.6230 4.6230 7.2795 7.2795 7.6521 7.6521 7.7933 7.7933 8.0119 8.0119 8.7834 8.7834 8.8437 8.8437 10.0385 10.0385 10.1678 10.1678 11.4336 11.4336 13.1611 13.1611 13.3321 13.3321 14.2647 14.2647 k =-0.1144 0.2809 1.1318 ( 3337 PWs) bands (ev): -73.2895 -73.2895 -42.1017 -42.1017 -37.6646 -37.6646 -37.5908 -37.5908 4.4986 4.4986 4.6074 4.6074 7.3145 7.3145 7.6585 7.6585 7.8065 7.8065 8.0289 8.0289 8.7764 8.7764 8.8366 8.8366 10.0046 10.0046 10.1655 10.1655 11.4296 11.4296 13.0873 13.0873 13.2344 13.2344 14.2050 14.2050 k =-0.1197 0.2937 1.1180 ( 3334 PWs) bands (ev): -73.2895 -73.2895 -42.1015 -42.1015 -37.6643 -37.6643 -37.5907 -37.5907 4.4746 4.4746 4.5904 4.5904 7.3501 7.3501 7.6663 7.6663 7.8205 7.8205 8.0464 8.0464 8.7107 8.7107 8.8917 8.8917 9.9705 9.9705 10.1670 10.1670 11.4246 11.4246 13.0119 13.0119 13.1395 13.1395 14.1416 14.1416 k =-0.1249 0.3065 1.1042 ( 3338 PWs) bands (ev): -73.2895 -73.2895 -42.1014 -42.1014 -37.6639 -37.6639 -37.5906 -37.5906 4.4492 4.4492 4.5721 4.5721 7.3859 7.3859 7.6758 7.6758 7.8349 7.8349 8.0642 8.0642 8.6465 8.6465 8.9492 8.9492 9.9378 9.9378 10.1707 10.1707 11.4185 11.4185 12.9355 12.9355 13.0475 13.0475 14.0748 14.0748 k =-0.1301 0.3192 1.0904 ( 3338 PWs) bands (ev): -73.2896 -73.2896 -42.1012 -42.1012 -37.6636 -37.6636 -37.5905 -37.5905 4.4225 4.4225 4.5525 4.5525 7.4215 7.4215 7.6872 7.6872 7.8493 7.8493 8.0819 8.0819 8.5849 8.5849 9.0088 9.0088 9.9076 9.9076 10.1761 10.1761 11.4116 11.4116 12.8584 12.8584 12.9586 12.9586 14.0048 14.0048 k =-0.1353 0.3320 1.0766 ( 3334 PWs) bands (ev): -73.2896 -73.2896 -42.1011 -42.1011 -37.6632 -37.6632 -37.5904 -37.5904 4.3947 4.3947 4.5317 4.5317 7.4563 7.4563 7.7009 7.7009 7.8633 7.8633 8.0994 8.0994 8.5269 8.5269 9.0705 9.0705 9.8804 9.8804 10.1828 10.1828 11.4037 11.4037 12.7809 12.7809 12.8728 12.8728 13.9319 13.9319 k =-0.1405 0.3448 1.0628 ( 3336 PWs) bands (ev): -73.2896 -73.2896 -42.1009 -42.1009 -37.6629 -37.6629 -37.5903 -37.5903 4.3657 4.3657 4.5098 4.5098 7.4900 7.4900 7.7169 7.7169 7.8762 7.8762 8.1160 8.1160 8.4737 8.4737 9.1343 9.1343 9.8566 9.8566 10.1904 10.1904 11.3951 11.3951 12.7033 12.7033 12.7902 12.7902 13.8565 13.8565 k =-0.1457 0.3576 1.0490 ( 3332 PWs) bands (ev): -73.2897 -73.2897 -42.1008 -42.1008 -37.6625 -37.6625 -37.5902 -37.5902 4.3358 4.3358 4.4869 4.4869 7.5219 7.5219 7.7354 7.7354 7.8874 7.8874 8.1313 8.1313 8.4270 8.4270 9.2000 9.2000 9.8366 9.8366 10.1988 10.1988 11.3858 11.3858 12.6260 12.6260 12.7108 12.7108 13.7787 13.7787 k =-0.1509 0.3704 1.0351 ( 3328 PWs) bands (ev): -73.2897 -73.2897 -42.1006 -42.1006 -37.6622 -37.6622 -37.5901 -37.5901 4.3050 4.3050 4.4631 4.4631 7.5515 7.5515 7.7560 7.7560 7.8961 7.8961 8.1445 8.1445 8.3887 8.3887 9.2676 9.2676 9.8206 9.8206 10.2080 10.2080 11.3758 11.3758 12.5491 12.5491 12.6346 12.6346 13.6988 13.6988 k =-0.1561 0.3832 1.0213 ( 3333 PWs) bands (ev): -73.2897 -73.2897 -42.1004 -42.1004 -37.6618 -37.6618 -37.5900 -37.5900 4.2737 4.2737 4.4385 4.4385 7.5781 7.5781 7.7782 7.7782 7.9015 7.9015 8.1548 8.1548 8.3610 8.3610 9.3370 9.3370 9.8087 9.8087 10.2178 10.2178 11.3653 11.3653 12.4729 12.4729 12.5615 12.5615 13.6170 13.6170 k =-0.1613 0.3960 1.0075 ( 3335 PWs) bands (ev): -73.2898 -73.2898 -42.1003 -42.1003 -37.6615 -37.6615 -37.5899 -37.5899 4.2419 4.2419 4.4132 4.4132 7.6013 7.6013 7.8006 7.8006 7.9040 7.9040 8.1624 8.1624 8.3453 8.3453 9.4082 9.4082 9.8012 9.8012 10.2282 10.2282 11.3543 11.3543 12.3973 12.3973 12.4918 12.4918 13.5337 13.5337 k =-0.1665 0.4088 0.9937 ( 3339 PWs) bands (ev): -73.2898 -73.2898 -42.1001 -42.1001 -37.6611 -37.6611 -37.5897 -37.5897 4.2099 4.2099 4.3875 4.3875 7.6201 7.6201 7.8201 7.8201 7.9061 7.9061 8.1688 8.1688 8.3407 8.3407 9.4809 9.4809 9.7980 9.7980 10.2391 10.2391 11.3431 11.3431 12.3226 12.3226 12.4253 12.4253 13.4490 13.4490 k =-0.1718 0.4216 0.9799 ( 3343 PWs) bands (ev): -73.2898 -73.2898 -42.1000 -42.1000 -37.6608 -37.6608 -37.5896 -37.5896 4.1778 4.1778 4.3615 4.3615 7.6334 7.6334 7.8322 7.8322 7.9137 7.9137 8.1760 8.1760 8.3449 8.3449 9.5552 9.5552 9.7994 9.7994 10.2505 10.2505 11.3315 11.3315 12.2487 12.2487 12.3622 12.3622 13.3632 13.3632 k =-0.1770 0.4343 0.9661 ( 3341 PWs) bands (ev): -73.2899 -73.2899 -42.0998 -42.0998 -37.6605 -37.6605 -37.5895 -37.5895 4.1459 4.1459 4.3354 4.3354 7.6395 7.6395 7.8356 7.8356 7.9305 7.9305 8.1856 8.1856 8.3551 8.3551 9.6308 9.6308 9.8052 9.8052 10.2622 10.2622 11.3198 11.3198 12.1756 12.1756 12.3023 12.3023 13.2765 13.2765 k =-0.1822 0.4471 0.9523 ( 3341 PWs) bands (ev): -73.2899 -73.2899 -42.0997 -42.0997 -37.6602 -37.6602 -37.5894 -37.5894 4.1143 4.1143 4.3094 4.3094 7.6367 7.6367 7.8362 7.8362 7.9537 7.9537 8.1979 8.1979 8.3688 8.3688 9.7072 9.7072 9.8157 9.8157 10.2743 10.2743 11.3080 11.3080 12.1035 12.1035 12.2456 12.2456 13.1892 13.1892 k =-0.1874 0.4599 0.9385 ( 3339 PWs) bands (ev): -73.2899 -73.2899 -42.0995 -42.0995 -37.6599 -37.6599 -37.5893 -37.5893 4.0833 4.0833 4.2836 4.2836 7.6247 7.6247 7.8395 7.8395 7.9795 7.9795 8.2125 8.2125 8.3847 8.3847 9.7829 9.7829 9.8323 9.8323 10.2868 10.2868 11.2963 11.2963 12.0324 12.0324 12.1920 12.1920 13.1016 13.1016 k =-0.1926 0.4727 0.9247 ( 3341 PWs) bands (ev): -73.2900 -73.2900 -42.0994 -42.0994 -37.6596 -37.6596 -37.5892 -37.5892 4.0530 4.0530 4.2582 4.2582 7.6051 7.6051 7.8471 7.8471 8.0057 8.0057 8.2289 8.2289 8.4015 8.4015 9.8378 9.8378 9.8747 9.8747 10.2996 10.2996 11.2847 11.2847 11.9623 11.9623 12.1414 12.1414 13.0139 13.0139 k =-0.1978 0.4855 0.9109 ( 3341 PWs) bands (ev): -73.2900 -73.2900 -42.0993 -42.0993 -37.6593 -37.6593 -37.5891 -37.5891 4.0237 4.0237 4.2335 4.2335 7.5804 7.5804 7.8582 7.8582 8.0314 8.0314 8.2465 8.2465 8.4189 8.4189 9.8637 9.8637 9.9504 9.9504 10.3127 10.3127 11.2733 11.2733 11.8933 11.8933 12.0937 12.0937 12.9264 12.9264 k =-0.2030 0.4983 0.8971 ( 3342 PWs) bands (ev): -73.2900 -73.2900 -42.0991 -42.0991 -37.6591 -37.6591 -37.5890 -37.5890 3.9955 3.9955 4.2095 4.2095 7.5530 7.5530 7.8716 7.8716 8.0559 8.0559 8.2647 8.2647 8.4362 8.4362 9.8891 9.8891 10.0306 10.0306 10.3263 10.3263 11.2623 11.2623 11.8254 11.8254 12.0487 12.0487 12.8397 12.8397 k =-0.2082 0.5111 0.8833 ( 3350 PWs) bands (ev): -73.2900 -73.2900 -42.0990 -42.0990 -37.6588 -37.6588 -37.5889 -37.5889 3.9686 3.9686 4.1866 4.1866 7.5247 7.5247 7.8860 7.8860 8.0789 8.0789 8.2829 8.2829 8.4531 8.4531 9.9164 9.9164 10.1118 10.1118 10.3405 10.3405 11.2516 11.2516 11.7588 11.7588 12.0060 12.0060 12.7540 12.7540 k =-0.2134 0.5239 0.8694 ( 3348 PWs) bands (ev): -73.2901 -73.2901 -42.0989 -42.0989 -37.6586 -37.6586 -37.5888 -37.5888 3.9433 3.9433 4.1648 4.1648 7.4967 7.4967 7.9008 7.9008 8.1003 8.1003 8.3009 8.3009 8.4696 8.4696 9.9456 9.9456 10.1935 10.1935 10.3554 10.3554 11.2415 11.2415 11.6934 11.6934 11.9654 11.9654 12.6700 12.6700 k =-0.2186 0.5366 0.8556 ( 3348 PWs) bands (ev): -73.2901 -73.2901 -42.0988 -42.0988 -37.6584 -37.6584 -37.5887 -37.5887 3.9195 3.9195 4.1443 4.1443 7.4698 7.4698 7.9155 7.9155 8.1200 8.1200 8.3184 8.3184 8.4851 8.4851 9.9759 9.9759 10.2751 10.2751 10.3712 10.3712 11.2319 11.2319 11.6296 11.6296 11.9266 11.9266 12.5883 12.5883 k =-0.2239 0.5494 0.8418 ( 3348 PWs) bands (ev): -73.2901 -73.2901 -42.0987 -42.0987 -37.6582 -37.6582 -37.5886 -37.5886 3.8976 3.8976 4.1252 4.1252 7.4445 7.4445 7.9296 7.9296 8.1378 8.1378 8.3349 8.3349 8.4997 8.4997 10.0065 10.0065 10.3563 10.3563 10.3881 10.3881 11.2230 11.2230 11.5676 11.5676 11.8891 11.8891 12.5097 12.5097 k =-0.2291 0.5622 0.8280 ( 3351 PWs) bands (ev): -73.2901 -73.2901 -42.0986 -42.0986 -37.6580 -37.6580 -37.5886 -37.5886 3.8776 3.8776 4.1078 4.1078 7.4211 7.4211 7.9427 7.9427 8.1538 8.1538 8.3502 8.3502 8.5132 8.5132 10.0365 10.0365 10.4063 10.4063 10.4364 10.4364 11.2148 11.2148 11.5076 11.5076 11.8524 11.8524 12.4353 12.4353 k =-0.2343 0.5750 0.8142 ( 3353 PWs) bands (ev): -73.2901 -73.2901 -42.0986 -42.0986 -37.6579 -37.6579 -37.5885 -37.5885 3.8597 3.8597 4.0921 4.0921 7.4001 7.4001 7.9548 7.9548 8.1679 8.1679 8.3641 8.3641 8.5253 8.5253 10.0649 10.0649 10.4262 10.4262 10.5147 10.5147 11.2073 11.2073 11.4501 11.4501 11.8159 11.8159 12.3662 12.3662 k =-0.2395 0.5878 0.8004 ( 3357 PWs) bands (ev): -73.2902 -73.2902 -42.0985 -42.0985 -37.6578 -37.6578 -37.5884 -37.5884 3.8439 3.8439 4.0783 4.0783 7.3815 7.3815 7.9656 7.9656 8.1802 8.1802 8.3764 8.3764 8.5361 8.5361 10.0907 10.0907 10.4476 10.4476 10.5902 10.5902 11.2005 11.2005 11.3959 11.3959 11.7795 11.7795 12.3037 12.3037 k =-0.2447 0.6006 0.7866 ( 3355 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6577 -37.6577 -37.5884 -37.5884 3.8304 3.8304 4.0664 4.0664 7.3656 7.3656 7.9749 7.9749 8.1907 8.1907 8.3871 8.3871 8.5454 8.5454 10.1133 10.1133 10.4699 10.4699 10.6616 10.6616 11.1945 11.1945 11.3460 11.3460 11.7429 11.7429 12.2491 12.2491 k =-0.2499 0.6134 0.7728 ( 3355 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8193 3.8193 4.0566 4.0566 7.3524 7.3524 7.9828 7.9828 8.1992 8.1992 8.3959 8.3959 8.5532 8.5532 10.1319 10.1319 10.4923 10.4923 10.7269 10.7269 11.1890 11.1890 11.3017 11.3017 11.7070 11.7070 12.2036 12.2036 k =-0.2551 0.6262 0.7590 ( 3347 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8105 3.8105 4.0489 4.0489 7.3421 7.3421 7.9890 7.9890 8.2060 8.2060 8.4030 8.4030 8.5593 8.5593 10.1464 10.1464 10.5132 10.5132 10.7837 10.7837 11.1839 11.1839 11.2649 11.2649 11.6735 11.6735 12.1678 12.1678 k =-0.2603 0.6389 0.7452 ( 3350 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.8042 3.8042 4.0433 4.0433 7.3347 7.3347 7.9934 7.9934 8.2107 8.2107 8.4080 8.4080 8.5637 8.5637 10.1567 10.1567 10.5305 10.5305 10.8286 10.8286 11.1789 11.1789 11.2377 11.2377 11.6453 11.6453 12.1423 12.1423 k =-0.2655 0.6517 0.7314 ( 3352 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.8004 3.8004 4.0400 4.0400 7.3303 7.3303 7.9961 7.9961 8.2136 8.2136 8.4110 8.4110 8.5663 8.5663 10.1629 10.1629 10.5420 10.5420 10.8578 10.8578 11.1744 11.1744 11.2217 11.2217 11.6260 11.6260 12.1271 12.1271 k =-0.2708 0.6645 0.7176 ( 3348 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.7992 3.7992 4.0388 4.0388 7.3288 7.3288 7.9970 7.9970 8.2146 8.2146 8.4121 8.4121 8.5672 8.5672 10.1649 10.1649 10.5461 10.5461 10.8680 10.8680 11.1725 11.1725 11.2166 11.2166 11.6191 11.6191 12.1220 12.1220 k =-0.2708 0.6645 0.7176 ( 3348 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.7992 3.7992 4.0388 4.0388 7.3288 7.3288 7.9970 7.9970 8.2146 8.2146 8.4121 8.4121 8.5672 8.5672 10.1649 10.1649 10.5461 10.5461 10.8680 10.8680 11.1725 11.1725 11.2166 11.2166 11.6191 11.6191 12.1220 12.1220 k =-0.2654 0.6515 0.7035 ( 3356 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8321 3.8321 4.0131 4.0131 7.3290 7.3290 7.9927 7.9927 8.2222 8.2222 8.4191 8.4191 8.5742 8.5742 10.2723 10.2723 10.4882 10.4882 10.8403 10.8403 11.1574 11.1574 11.2230 11.2230 11.5859 11.5859 12.0985 12.0985 k =-0.2601 0.6385 0.6894 ( 3360 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8644 3.8644 3.9863 3.9863 7.3271 7.3271 7.9878 7.9878 8.2299 8.2299 8.4268 8.4268 8.5822 8.5822 10.3200 10.3200 10.4827 10.4827 10.8079 10.8079 11.1446 11.1446 11.2367 11.2367 11.5538 11.5538 12.0748 12.0748 k =-0.2548 0.6254 0.6753 ( 3360 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8959 3.8959 3.9586 3.9586 7.3233 7.3233 7.9828 7.9828 8.2377 8.2377 8.4349 8.4349 8.5912 8.5912 10.2679 10.2679 10.5711 10.5711 10.7709 10.7709 11.1342 11.1342 11.2560 11.2560 11.5230 11.5230 12.0507 12.0507 k =-0.2495 0.6124 0.6613 ( 3356 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.9267 3.9267 3.9298 3.9298 7.3176 7.3176 7.9777 7.9777 8.2456 8.2456 8.4433 8.4433 8.6009 8.6009 10.1872 10.1872 10.6817 10.6817 10.7308 10.7308 11.1262 11.1262 11.2797 11.2797 11.4936 11.4936 12.0258 12.0258 k =-0.2442 0.5994 0.6472 ( 3360 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8997 3.8997 3.9570 3.9570 7.3104 7.3104 7.9729 7.9729 8.2536 8.2536 8.4518 8.4518 8.6112 8.6112 10.0993 10.0993 10.6804 10.6804 10.8013 10.8013 11.1207 11.1207 11.3066 11.3066 11.4662 11.4662 11.9998 11.9998 k =-0.2389 0.5863 0.6331 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8685 3.8685 3.9865 3.9865 7.3018 7.3018 7.9685 7.9685 8.2619 8.2619 8.4606 8.4606 8.6219 8.6219 10.0084 10.0084 10.6295 10.6295 10.9161 10.9161 11.1178 11.1178 11.3351 11.3351 11.4416 11.4416 11.9724 11.9724 k =-0.2336 0.5733 0.6191 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6575 -37.6575 -37.5883 -37.5883 3.8359 3.8359 4.0154 4.0154 7.2920 7.2920 7.9645 7.9645 8.2706 8.2706 8.4695 8.4695 8.6328 8.6328 9.9163 9.9163 10.5739 10.5739 11.0285 11.0285 11.1180 11.1180 11.3608 11.3608 11.4240 11.4240 11.9432 11.9432 k =-0.2283 0.5603 0.6050 ( 3342 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.8020 3.8020 4.0435 4.0435 7.2813 7.2813 7.9611 7.9611 8.2796 8.2796 8.4784 8.4784 8.6437 8.6437 9.8238 9.8238 10.5141 10.5141 11.1141 11.1141 11.1444 11.1444 11.3674 11.3674 11.4298 11.4298 11.9121 11.9121 k =-0.2230 0.5472 0.5909 ( 3352 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6572 -37.6572 -37.5883 -37.5883 3.7666 3.7666 4.0710 4.0710 7.2699 7.2699 7.9583 7.9583 8.2890 8.2890 8.4873 8.4873 8.6545 8.6545 9.7315 9.7315 10.4505 10.4505 11.1225 11.1225 11.2452 11.2452 11.3545 11.3545 11.4602 11.4602 11.8790 11.8790 k =-0.2177 0.5342 0.5769 ( 3354 PWs) bands (ev): -73.2902 -73.2902 -42.0982 -42.0982 -37.6571 -37.6571 -37.5882 -37.5882 3.7297 3.7297 4.0977 4.0977 7.2581 7.2581 7.9562 7.9562 8.2988 8.2988 8.4962 8.4962 8.6651 8.6651 9.6402 9.6402 10.3832 10.3832 11.1304 11.1304 11.3232 11.3232 11.3568 11.3568 11.5006 11.5006 11.8440 11.8440 k =-0.2124 0.5212 0.5628 ( 3358 PWs) bands (ev): -73.2902 -73.2902 -42.0981 -42.0981 -37.6569 -37.6569 -37.5882 -37.5882 3.6913 3.6913 4.1238 4.1238 7.2461 7.2461 7.9547 7.9547 8.3091 8.3091 8.5049 8.5049 8.6753 8.6753 9.5502 9.5502 10.3126 10.3126 11.1407 11.1407 11.3138 11.3138 11.4355 11.4355 11.5504 11.5504 11.8073 11.8073 k =-0.2070 0.5082 0.5487 ( 3358 PWs) bands (ev): -73.2903 -73.2903 -42.0980 -42.0980 -37.6567 -37.6567 -37.5882 -37.5882 3.6513 3.6513 4.1490 4.1490 7.2342 7.2342 7.9539 7.9539 8.3199 8.3199 8.5133 8.5133 8.6852 8.6852 9.4620 9.4620 10.2390 10.2390 11.1536 11.1536 11.2979 11.2979 11.5036 11.5036 11.6146 11.6146 11.7696 11.7696 k =-0.2017 0.4951 0.5346 ( 3366 PWs) bands (ev): -73.2903 -73.2903 -42.0980 -42.0980 -37.6564 -37.6564 -37.5882 -37.5882 3.6098 3.6098 4.1735 4.1735 7.2225 7.2225 7.9538 7.9538 8.3310 8.3310 8.5212 8.5212 8.6944 8.6944 9.3761 9.3761 10.1627 10.1627 11.1692 11.1692 11.2832 11.2832 11.5545 11.5545 11.6886 11.6886 11.7340 11.7340 k =-0.1964 0.4821 0.5206 ( 3368 PWs) bands (ev): -73.2903 -73.2903 -42.0979 -42.0979 -37.6562 -37.6562 -37.5882 -37.5882 3.5666 3.5666 4.1971 4.1971 7.2113 7.2113 7.9542 7.9542 8.3426 8.3426 8.5284 8.5284 8.7030 8.7030 9.2931 9.2931 10.0840 10.0840 11.1873 11.1873 11.2705 11.2705 11.5950 11.5950 11.6870 11.6870 11.7786 11.7786 k =-0.1911 0.4691 0.5065 ( 3368 PWs) bands (ev): -73.2903 -73.2903 -42.0978 -42.0978 -37.6559 -37.6559 -37.5882 -37.5882 3.5219 3.5219 4.2198 4.2198 7.2007 7.2007 7.9553 7.9553 8.3546 8.3546 8.5342 8.5342 8.7107 8.7107 9.2138 9.2138 10.0032 10.0032 11.2074 11.2074 11.2604 11.2604 11.6276 11.6276 11.6508 11.6508 11.8597 11.8597 k =-0.1858 0.4560 0.4924 ( 3364 PWs) bands (ev): -73.2903 -73.2903 -42.0976 -42.0976 -37.6556 -37.6556 -37.5881 -37.5881 3.4757 3.4757 4.2416 4.2416 7.1909 7.1909 7.9569 7.9569 8.3669 8.3669 8.5381 8.5381 8.7175 8.7175 9.1391 9.1391 9.9207 9.9207 11.2267 11.2267 11.2558 11.2558 11.6073 11.6073 11.6627 11.6627 11.9396 11.9396 k =-0.1805 0.4430 0.4784 ( 3362 PWs) bands (ev): -73.2904 -73.2904 -42.0975 -42.0975 -37.6552 -37.6552 -37.5881 -37.5881 3.4280 3.4280 4.2624 4.2624 7.1819 7.1819 7.9589 7.9589 8.3794 8.3794 8.5388 8.5388 8.7231 8.7231 9.0708 9.0708 9.8368 9.8368 11.2339 11.2339 11.2680 11.2680 11.5699 11.5699 11.6889 11.6889 12.0171 12.0171 k =-0.1752 0.4300 0.4643 ( 3354 PWs) bands (ev): -73.2904 -73.2904 -42.0974 -42.0974 -37.6549 -37.6549 -37.5881 -37.5881 3.3790 3.3790 4.2822 4.2822 7.1739 7.1739 7.9612 7.9612 8.3922 8.3922 8.5347 8.5347 8.7273 8.7273 9.0107 9.0107 9.7519 9.7519 11.2320 11.2320 11.2938 11.2938 11.5338 11.5338 11.7114 11.7114 12.0919 12.0919 k =-0.1699 0.4170 0.4502 ( 3354 PWs) bands (ev): -73.2904 -73.2904 -42.0972 -42.0972 -37.6545 -37.6545 -37.5881 -37.5881 3.3287 3.3287 4.3009 4.3009 7.1668 7.1668 7.9636 7.9636 8.4050 8.4050 8.5236 8.5236 8.7302 8.7302 8.9612 8.9612 9.6666 9.6666 11.2301 11.2301 11.3237 11.3237 11.5005 11.5005 11.7297 11.7297 12.1641 12.1641 k =-0.1646 0.4039 0.4362 ( 3354 PWs) bands (ev): -73.2904 -73.2904 -42.0971 -42.0971 -37.6542 -37.6542 -37.5880 -37.5880 3.2773 3.2773 4.3184 4.3184 7.1606 7.1606 7.9658 7.9658 8.4176 8.4176 8.5035 8.5035 8.7324 8.7324 8.9242 8.9242 9.5813 9.5813 11.2297 11.2297 11.3543 11.3543 11.4722 11.4722 11.7437 11.7437 12.2341 12.2341 k =-0.1593 0.3909 0.4221 ( 3354 PWs) bands (ev): -73.2905 -73.2905 -42.0969 -42.0969 -37.6538 -37.6538 -37.5880 -37.5880 3.2249 3.2249 4.3347 4.3347 7.1554 7.1554 7.9677 7.9677 8.4289 8.4289 8.4745 8.4745 8.7349 8.7349 8.8997 8.8997 9.4965 9.4965 11.2311 11.2311 11.3787 11.3787 11.4558 11.4558 11.7533 11.7533 12.3020 12.3020 k =-0.1540 0.3779 0.4080 ( 3362 PWs) bands (ev): -73.2905 -73.2905 -42.0968 -42.0968 -37.6534 -37.6534 -37.5880 -37.5880 3.1718 3.1718 4.3497 4.3497 7.1510 7.1510 7.9688 7.9688 8.4234 8.4234 8.4532 8.4532 8.7388 8.7388 8.8859 8.8859 9.4128 9.4128 11.2345 11.2345 11.3811 11.3811 11.4673 11.4673 11.7586 11.7586 12.3681 12.3681 k =-0.1486 0.3648 0.3940 ( 3356 PWs) bands (ev): -73.2905 -73.2905 -42.0966 -42.0966 -37.6530 -37.6530 -37.5879 -37.5879 3.1179 3.1179 4.3634 4.3634 7.1475 7.1475 7.9688 7.9688 8.3822 8.3822 8.4612 8.4612 8.7446 8.7446 8.8801 8.8801 9.3309 9.3309 11.2396 11.2396 11.3672 11.3672 11.5013 11.5013 11.7598 11.7598 12.4328 12.4328 k =-0.1433 0.3518 0.3799 ( 3360 PWs) bands (ev): -73.2906 -73.2906 -42.0965 -42.0965 -37.6525 -37.6525 -37.5879 -37.5879 3.0636 3.0636 4.3758 4.3758 7.1445 7.1445 7.9669 7.9669 8.3334 8.3334 8.4730 8.4730 8.7520 8.7520 8.8796 8.8796 9.2516 9.2516 11.2461 11.2461 11.3514 11.3514 11.5437 11.5437 11.7575 11.7575 12.4960 12.4960 k =-0.1380 0.3388 0.3658 ( 3357 PWs) bands (ev): -73.2906 -73.2906 -42.0963 -42.0963 -37.6521 -37.6521 -37.5878 -37.5878 3.0091 3.0091 4.3868 4.3868 7.1420 7.1420 7.9624 7.9624 8.2837 8.2837 8.4849 8.4849 8.7606 8.7606 8.8827 8.8827 9.1758 9.1758 11.2535 11.2535 11.3385 11.3385 11.5897 11.5897 11.7525 11.7525 12.5580 12.5580 k =-0.1327 0.3257 0.3517 ( 3363 PWs) bands (ev): -73.2907 -73.2907 -42.0962 -42.0962 -37.6517 -37.6517 -37.5878 -37.5878 2.9545 2.9545 4.3963 4.3963 7.1398 7.1398 7.9541 7.9541 8.2359 8.2359 8.4963 8.4963 8.7694 8.7694 8.8883 8.8883 9.1047 9.1047 11.2608 11.2608 11.3306 11.3306 11.6367 11.6367 11.7466 11.7466 12.6189 12.6189 k =-0.1274 0.3127 0.3377 ( 3359 PWs) bands (ev): -73.2907 -73.2907 -42.0960 -42.0960 -37.6513 -37.6513 -37.5877 -37.5877 2.9000 2.9000 4.4044 4.4044 7.1378 7.1378 7.9407 7.9407 8.1921 8.1921 8.5069 8.5069 8.7774 8.7774 8.8955 8.8955 9.0403 9.0403 11.2670 11.2670 11.3291 11.3291 11.6773 11.6773 11.7473 11.7473 12.6786 12.6786 k =-0.1221 0.2997 0.3236 ( 3351 PWs) bands (ev): -73.2907 -73.2907 -42.0958 -42.0958 -37.6508 -37.6508 -37.5877 -37.5877 2.8459 2.8459 4.4110 4.4110 7.1358 7.1358 7.9209 7.9209 8.1539 8.1539 8.5163 8.5163 8.7825 8.7825 8.9027 8.9027 8.9866 8.9866 11.2715 11.2715 11.3345 11.3345 11.6908 11.6908 11.7756 11.7756 12.7373 12.7373 k =-0.1168 0.2867 0.3095 ( 3347 PWs) bands (ev): -73.2907 -73.2907 -42.0957 -42.0957 -37.6504 -37.6504 -37.5876 -37.5876 2.7924 2.7924 4.4163 4.4163 7.1335 7.1335 7.8946 7.8946 8.1220 8.1220 8.5241 8.5241 8.7810 8.7810 8.9045 8.9045 8.9531 8.9531 11.2753 11.2753 11.3458 11.3458 11.6823 11.6823 11.8266 11.8266 12.7949 12.7949 k =-0.1115 0.2736 0.2955 ( 3341 PWs) bands (ev): -73.2908 -73.2908 -42.0955 -42.0955 -37.6500 -37.6500 -37.5876 -37.5876 2.7396 2.7396 4.4201 4.4201 7.1309 7.1309 7.8625 7.8625 8.0953 8.0953 8.5296 8.5296 8.7684 8.7684 8.8968 8.8968 8.9491 8.9491 11.2802 11.2802 11.3612 11.3612 11.6672 11.6672 11.8854 11.8854 12.8515 12.8515 k =-0.1062 0.2606 0.2814 ( 3345 PWs) bands (ev): -73.2908 -73.2908 -42.0953 -42.0953 -37.6496 -37.6496 -37.5875 -37.5875 2.6878 2.6878 4.4225 4.4225 7.1275 7.1275 7.8267 7.8267 8.0720 8.0720 8.5324 8.5324 8.7461 8.7461 8.8938 8.8938 8.9598 8.9598 11.2872 11.2872 11.3792 11.3792 11.6498 11.6498 11.9479 11.9479 12.9069 12.9069 k =-0.1009 0.2476 0.2673 ( 3343 PWs) bands (ev): -73.2908 -73.2908 -42.0952 -42.0952 -37.6492 -37.6492 -37.5875 -37.5875 2.6372 2.6372 4.4237 4.4237 7.1234 7.1234 7.7891 7.7891 8.0500 8.0500 8.5318 8.5318 8.7218 8.7218 8.8988 8.8988 8.9750 8.9750 11.2968 11.2968 11.3991 11.3991 11.6315 11.6315 12.0131 12.0131 12.9612 12.9612 k =-0.0956 0.2345 0.2533 ( 3347 PWs) bands (ev): -73.2909 -73.2909 -42.0950 -42.0950 -37.6488 -37.6488 -37.5874 -37.5874 2.5879 2.5879 4.4236 4.4236 7.1184 7.1184 7.7514 7.7514 8.0277 8.0277 8.5280 8.5280 8.7011 8.7011 8.9082 8.9082 8.9925 8.9925 11.3093 11.3093 11.4201 11.4201 11.6129 11.6129 12.0808 12.0808 13.0145 13.0145 k =-0.0903 0.2215 0.2392 ( 3349 PWs) bands (ev): -73.2909 -73.2909 -42.0949 -42.0949 -37.6484 -37.6484 -37.5874 -37.5874 2.5402 2.5402 4.4224 4.4224 7.1122 7.1122 7.7148 7.7148 8.0043 8.0043 8.5214 8.5214 8.6862 8.6862 8.9198 8.9198 9.0117 9.0117 11.3245 11.3245 11.4419 11.4419 11.5946 11.5946 12.1505 12.1505 13.0665 13.0665 k =-0.0849 0.2085 0.2251 ( 3345 PWs) bands (ev): -73.2909 -73.2909 -42.0947 -42.0947 -37.6481 -37.6481 -37.5873 -37.5873 2.4943 2.4943 4.4202 4.4202 7.1049 7.1049 7.6801 7.6801 7.9794 7.9794 8.5134 8.5134 8.6766 8.6766 8.9324 8.9324 9.0321 9.0321 11.3425 11.3425 11.4639 11.4639 11.5773 11.5773 12.2222 12.2222 13.1175 13.1175 k =-0.0796 0.1954 0.2110 ( 3341 PWs) bands (ev): -73.2910 -73.2910 -42.0946 -42.0946 -37.6477 -37.6477 -37.5873 -37.5873 2.4502 2.4502 4.4171 4.4171 7.0965 7.0965 7.6479 7.6479 7.9532 7.9532 8.5054 8.5054 8.6711 8.6711 8.9456 8.9456 9.0535 9.0535 11.3629 11.3629 11.4848 11.4848 11.5622 11.5622 12.2956 12.2956 13.1675 13.1675 k =-0.0743 0.1824 0.1970 ( 3339 PWs) bands (ev): -73.2910 -73.2910 -42.0944 -42.0944 -37.6474 -37.6474 -37.5872 -37.5872 2.4082 2.4082 4.4131 4.4131 7.0869 7.0869 7.6185 7.6185 7.9259 7.9259 8.4984 8.4984 8.6681 8.6681 8.9588 8.9588 9.0755 9.0755 11.3856 11.3856 11.5016 11.5016 11.5523 11.5523 12.3707 12.3707 13.2164 13.2164 k =-0.0690 0.1694 0.1829 ( 3339 PWs) bands (ev): -73.2910 -73.2910 -42.0943 -42.0943 -37.6470 -37.6470 -37.5871 -37.5871 2.3685 2.3685 4.4086 4.4086 7.0762 7.0762 7.5920 7.5920 7.8983 7.8983 8.4928 8.4928 8.6669 8.6669 8.9718 8.9718 9.0978 9.0978 11.4100 11.4100 11.5063 11.5063 11.5556 11.5556 12.4472 12.4472 13.2643 13.2643 k =-0.0637 0.1564 0.1688 ( 3331 PWs) bands (ev): -73.2910 -73.2910 -42.0942 -42.0942 -37.6467 -37.6467 -37.5871 -37.5871 2.3311 2.3311 4.4036 4.4036 7.0647 7.0647 7.5685 7.5685 7.8708 7.8708 8.4889 8.4889 8.6667 8.6667 8.9844 8.9844 9.1202 9.1202 11.4358 11.4358 11.4993 11.4993 11.5717 11.5717 12.5250 12.5250 13.3113 13.3113 k =-0.0584 0.1433 0.1548 ( 3331 PWs) bands (ev): -73.2910 -73.2910 -42.0941 -42.0941 -37.6465 -37.6465 -37.5870 -37.5870 2.2962 2.2962 4.3982 4.3982 7.0525 7.0525 7.5480 7.5480 7.8441 7.8441 8.4863 8.4863 8.6671 8.6671 8.9964 8.9964 9.1422 9.1422 11.4625 11.4625 11.4891 11.4891 11.5919 11.5919 12.6040 12.6040 13.3576 13.3576 k =-0.0531 0.1303 0.1407 ( 3333 PWs) bands (ev): -73.2911 -73.2911 -42.0940 -42.0940 -37.6462 -37.6462 -37.5870 -37.5870 2.2639 2.2639 4.3927 4.3927 7.0400 7.0400 7.5301 7.5301 7.8186 7.8186 8.4849 8.4849 8.6679 8.6679 9.0077 9.0077 9.1636 9.1636 11.4781 11.4781 11.4903 11.4903 11.6129 11.6129 12.6838 12.6838 13.4030 13.4030 k =-0.0478 0.1173 0.1266 ( 3325 PWs) bands (ev): -73.2911 -73.2911 -42.0939 -42.0939 -37.6460 -37.6460 -37.5870 -37.5870 2.2343 2.2343 4.3871 4.3871 7.0276 7.0276 7.5149 7.5149 7.7946 7.7946 8.4843 8.4843 8.6689 8.6689 9.0184 9.0184 9.1841 9.1841 11.4690 11.4690 11.5168 11.5168 11.6338 11.6338 12.7644 12.7644 13.4478 13.4478 k =-0.0425 0.1042 0.1126 ( 3333 PWs) bands (ev): -73.2911 -73.2911 -42.0938 -42.0938 -37.6457 -37.6457 -37.5869 -37.5869 2.2076 2.2076 4.3817 4.3817 7.0154 7.0154 7.5019 7.5019 7.7726 7.7726 8.4842 8.4842 8.6699 8.6699 9.0280 9.0280 9.2033 9.2033 11.4607 11.4607 11.5427 11.5427 11.6540 11.6540 12.8453 12.8453 13.4920 13.4920 k =-0.0372 0.0912 0.0985 ( 3337 PWs) bands (ev): -73.2911 -73.2911 -42.0937 -42.0937 -37.6456 -37.6456 -37.5869 -37.5869 2.1838 2.1838 4.3766 4.3766 7.0038 7.0038 7.4910 7.4910 7.7528 7.7528 8.4846 8.4846 8.6709 8.6709 9.0366 9.0366 9.2209 9.2209 11.4535 11.4535 11.5670 11.5670 11.6733 11.6733 12.9263 12.9263 13.5356 13.5356 k =-0.0319 0.0782 0.0844 ( 3333 PWs) bands (ev): -73.2911 -73.2911 -42.0936 -42.0936 -37.6454 -37.6454 -37.5868 -37.5868 2.1631 2.1631 4.3718 4.3718 6.9932 6.9932 7.4821 7.4821 7.7354 7.7354 8.4852 8.4852 8.6720 8.6720 9.0443 9.0443 9.2368 9.2368 11.4476 11.4476 11.5891 11.5891 11.6913 11.6913 13.0069 13.0069 13.5783 13.5783 k =-0.0265 0.0651 0.0703 ( 3337 PWs) bands (ev): -73.2912 -73.2912 -42.0936 -42.0936 -37.6452 -37.6452 -37.5868 -37.5868 2.1454 2.1454 4.3676 4.3676 6.9838 6.9838 7.4748 7.4748 7.7204 7.7204 8.4858 8.4858 8.6730 8.6730 9.0509 9.0509 9.2506 9.2506 11.4427 11.4427 11.6083 11.6083 11.7079 11.7079 13.0862 13.0862 13.6197 13.6197 k =-0.0212 0.0521 0.0563 ( 3333 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6451 -37.6451 -37.5868 -37.5868 2.1308 2.1308 4.3639 4.3639 6.9757 6.9757 7.4692 7.4692 7.7081 7.7081 8.4865 8.4865 8.6739 8.6739 9.0564 9.0564 9.2623 9.2623 11.4390 11.4390 11.6244 11.6244 11.7225 11.7225 13.1630 13.1630 13.6584 13.6584 k =-0.0159 0.0391 0.0422 ( 3347 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.1194 2.1194 4.3610 4.3610 6.9693 6.9693 7.4648 7.4648 7.6984 7.6984 8.4870 8.4870 8.6746 8.6746 9.0606 9.0606 9.2714 9.2714 11.4361 11.4361 11.6370 11.6370 11.7346 11.7346 13.2353 13.2353 13.6910 13.6910 k =-0.0106 0.0261 0.0281 ( 3347 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.1113 2.1113 4.3589 4.3589 6.9646 6.9646 7.4618 7.4618 7.6914 7.6914 8.4875 8.4875 8.6751 8.6751 9.0636 9.0636 9.2781 9.2781 11.4342 11.4342 11.6461 11.6461 11.7438 11.7438 13.2989 13.2989 13.7100 13.7100 k =-0.0053 0.0130 0.0141 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1064 2.1064 4.3576 4.3576 6.9618 6.9618 7.4600 7.4600 7.6873 7.6873 8.4878 8.4878 8.6756 8.6756 9.0656 9.0656 9.2821 9.2821 11.4330 11.4330 11.6515 11.6515 11.7495 11.7495 13.3458 13.3458 13.7091 13.7091 k = 0.0000 0.0000 0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1047 2.1047 4.3572 4.3572 6.9608 6.9608 7.4594 7.4594 7.6859 7.6859 8.4879 8.4879 8.6757 8.6757 9.0662 9.0662 9.2835 9.2835 11.4326 11.4326 11.6533 11.6533 11.7514 11.7514 13.3639 13.3639 13.7037 13.7037 k = 0.0000 0.0000 0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1047 2.1047 4.3572 4.3572 6.9608 6.9608 7.4594 7.4594 7.6859 7.6859 8.4879 8.4879 8.6757 8.6757 9.0662 9.0662 9.2835 9.2835 11.4326 11.4326 11.6533 11.6533 11.7514 11.7514 13.3639 13.3639 13.7037 13.7037 k = 0.0179 0.0073-0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1056 2.1056 4.3569 4.3569 6.9593 6.9593 7.4605 7.4605 7.6799 7.6799 8.4887 8.4887 8.6757 8.6757 9.0662 9.0662 9.2901 9.2901 11.4311 11.4311 11.6514 11.6514 11.7494 11.7494 13.3634 13.3634 13.7071 13.7071 k = 0.0357 0.0146-0.0000 ( 3347 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1081 2.1081 4.3560 4.3560 6.9547 6.9547 7.4637 7.4637 7.6626 7.6626 8.4907 8.4907 8.6759 8.6759 9.0664 9.0664 9.3096 9.3096 11.4267 11.4267 11.6455 11.6455 11.7433 11.7433 13.3619 13.3619 13.7171 13.7171 k = 0.0536 0.0218-0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1122 2.1122 4.3547 4.3547 6.9469 6.9469 7.4690 7.4690 7.6351 7.6351 8.4939 8.4939 8.6763 8.6763 9.0668 9.0668 9.3411 9.3411 11.4193 11.4193 11.6360 11.6360 11.7334 11.7334 13.3594 13.3594 13.7332 13.7332 k = 0.0714 0.0291-0.0000 ( 3351 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1180 2.1180 4.3528 4.3528 6.9357 6.9357 7.4762 7.4762 7.5994 7.5994 8.4976 8.4976 8.6767 8.6767 9.0673 9.0673 9.3833 9.3833 11.4090 11.4090 11.6230 11.6230 11.7199 11.7199 13.3559 13.3559 13.7543 13.7543 k = 0.0893 0.0364-0.0000 ( 3359 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1253 2.1253 4.3504 4.3504 6.9211 6.9211 7.4854 7.4854 7.5577 7.5577 8.5014 8.5014 8.6772 8.6772 9.0679 9.0679 9.4347 9.4347 11.3960 11.3960 11.6069 11.6069 11.7033 11.7033 13.3515 13.3515 13.7787 13.7787 k = 0.1071 0.0437-0.0000 ( 3347 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1341 2.1341 4.3475 4.3475 6.9026 6.9026 7.4965 7.4965 7.5121 7.5121 8.5052 8.5052 8.6781 8.6781 9.0688 9.0688 9.4939 9.4939 11.3805 11.3805 11.5882 11.5882 11.6839 11.6839 13.3463 13.3463 13.8030 13.8030 k = 0.1250 0.0509-0.0000 ( 3339 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.1443 2.1443 4.3443 4.3443 6.8801 6.8801 7.4646 7.4646 7.5093 7.5093 8.5087 8.5087 8.6790 8.6790 9.0698 9.0698 9.5592 9.5592 11.3625 11.3625 11.5673 11.5673 11.6622 11.6622 13.3403 13.3403 13.8225 13.8225 k = 0.1429 0.0582-0.0000 ( 3335 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1558 2.1558 4.3406 4.3406 6.8533 6.8533 7.4171 7.4171 7.5238 7.5238 8.5118 8.5118 8.6800 8.6800 9.0708 9.0708 9.6291 9.6291 11.3423 11.3423 11.5446 11.5446 11.6386 11.6386 13.3337 13.3337 13.8329 13.8329 k = 0.1607 0.0655-0.0000 ( 3327 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1685 2.1685 4.3367 4.3367 6.8220 6.8220 7.3711 7.3711 7.5397 7.5397 8.5145 8.5145 8.6811 8.6811 9.0721 9.0721 9.7025 9.7025 11.3201 11.3201 11.5206 11.5206 11.6137 11.6137 13.3265 13.3265 13.8341 13.8341 k = 0.1786 0.0728-0.0000 ( 3327 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1823 2.1823 4.3325 4.3325 6.7862 6.7862 7.3276 7.3276 7.5568 7.5568 8.5169 8.5169 8.6823 8.6823 9.0733 9.0733 9.7781 9.7781 11.2962 11.2962 11.4956 11.4956 11.5878 11.5878 13.3188 13.3188 13.8290 13.8290 k = 0.1964 0.0800-0.0000 ( 3331 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.1971 2.1971 4.3280 4.3280 6.7462 6.7462 7.2875 7.2875 7.5750 7.5750 8.5190 8.5190 8.6835 8.6835 9.0747 9.0747 9.8549 9.8549 11.2708 11.2708 11.4701 11.4701 11.5614 11.5614 13.3108 13.3108 13.8204 13.8204 k = 0.2143 0.0873-0.0000 ( 3331 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.2127 2.2127 4.3234 4.3234 6.7024 6.7024 7.2512 7.2512 7.5940 7.5940 8.5208 8.5208 8.6849 8.6849 9.0761 9.0761 9.9321 9.9321 11.2443 11.2443 11.4445 11.4445 11.5348 11.5348 13.3025 13.3025 13.8097 13.8097 k = 0.2321 0.0946-0.0000 ( 3335 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.2289 2.2289 4.3188 4.3188 6.6557 6.6557 7.2186 7.2186 7.6137 7.6137 8.5223 8.5223 8.6863 8.6863 9.0775 9.0775 10.0089 10.0089 11.2168 11.2168 11.4191 11.4191 11.5084 11.5084 13.2940 13.2940 13.7980 13.7980 k = 0.2500 0.1019-0.0000 ( 3343 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.2455 2.2455 4.3141 4.3141 6.6070 6.6070 7.1897 7.1897 7.6338 7.6338 8.5237 8.5237 8.6878 8.6878 9.0789 9.0789 10.0844 10.0844 11.1889 11.1889 11.3941 11.3941 11.4825 11.4825 13.2856 13.2856 13.7856 13.7856 k = 0.2679 0.1091-0.0000 ( 3351 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.2624 2.2624 4.3094 4.3094 6.5572 6.5572 7.1640 7.1640 7.6541 7.6541 8.5248 8.5248 8.6893 8.6893 9.0804 9.0804 10.1582 10.1582 11.1607 11.1607 11.3699 11.3699 11.4574 11.4574 13.2772 13.2772 13.7729 13.7729 k = 0.2857 0.1164-0.0000 ( 3351 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.2793 2.2793 4.3048 4.3048 6.5073 6.5073 7.1413 7.1413 7.6743 7.6743 8.5259 8.5259 8.6909 8.6909 9.0819 9.0819 10.2294 10.2294 11.1327 11.1327 11.3467 11.3467 11.4333 11.4333 13.2689 13.2689 13.7600 13.7600 k = 0.3036 0.1237-0.0000 ( 3363 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.2960 2.2960 4.3004 4.3004 6.4583 6.4583 7.1211 7.1211 7.6941 7.6941 8.5267 8.5267 8.6924 8.6924 9.0834 9.0834 10.2976 10.2976 11.1051 11.1051 11.3246 11.3246 11.4105 11.4105 13.2610 13.2610 13.7473 13.7473 k = 0.3214 0.1310-0.0000 ( 3355 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.3123 2.3123 4.2961 4.2961 6.4109 6.4109 7.1034 7.1034 7.7134 7.7134 8.5276 8.5276 8.6940 8.6940 9.0848 9.0848 10.3622 10.3622 11.0785 11.0785 11.3039 11.3039 11.3890 11.3890 13.2534 13.2534 13.7349 13.7349 k = 0.3393 0.1382-0.0000 ( 3355 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.3280 2.3280 4.2921 4.2921 6.3659 6.3659 7.0878 7.0878 7.7318 7.7318 8.5283 8.5283 8.6956 8.6956 9.0862 9.0862 10.4227 10.4227 11.0530 11.0530 11.2847 11.2847 11.3691 11.3691 13.2462 13.2462 13.7228 13.7228 k = 0.3571 0.1455-0.0000 ( 3355 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6449 -37.6449 -37.5868 -37.5868 2.3429 2.3429 4.2884 4.2884 6.3240 6.3240 7.0741 7.0741 7.7491 7.7491 8.5289 8.5289 8.6971 8.6971 9.0876 9.0876 10.4783 10.4783 11.0291 11.0291 11.2672 11.2672 11.3510 11.3510 13.2396 13.2396 13.7113 13.7113 k = 0.3750 0.1528-0.0000 ( 3343 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.3566 2.3566 4.2851 4.2851 6.2856 6.2856 7.0621 7.0621 7.7651 7.7651 8.5296 8.5296 8.6986 8.6986 9.0889 9.0889 10.5289 10.5289 11.0070 11.0070 11.2515 11.2515 11.3347 11.3347 13.2336 13.2336 13.7006 13.7006 k = 0.3929 0.1601-0.0000 ( 3342 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.3691 2.3691 4.2821 4.2821 6.2514 6.2514 7.0519 7.0519 7.7794 7.7794 8.5301 8.5301 8.7000 8.7000 9.0900 9.0900 10.5737 10.5737 10.9872 10.9872 11.2377 11.2377 11.3204 11.3204 13.2282 13.2282 13.6909 13.6909 k = 0.4107 0.1673-0.0000 ( 3342 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.3800 2.3800 4.2795 4.2795 6.2217 6.2217 7.0433 7.0433 7.7920 7.7920 8.5305 8.5305 8.7011 8.7011 9.0910 9.0910 10.6125 10.6125 10.9699 10.9699 11.2258 11.2258 11.3082 11.3082 13.2236 13.2236 13.6822 13.6822 k = 0.4286 0.1746-0.0000 ( 3338 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.3892 2.3892 4.2773 4.2773 6.1969 6.1969 7.0363 7.0363 7.8025 7.8025 8.5308 8.5308 8.7022 8.7022 9.0918 9.0918 10.6448 10.6448 10.9553 10.9553 11.2159 11.2159 11.2981 11.2981 13.2198 13.2198 13.6749 13.6749 k = 0.4464 0.1819-0.0000 ( 3338 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.3965 2.3965 4.2756 4.2756 6.1773 6.1773 7.0309 7.0309 7.8109 7.8109 8.5311 8.5311 8.7030 8.7030 9.0925 9.0925 10.6703 10.6703 10.9438 10.9438 11.2082 11.2082 11.2901 11.2901 13.2167 13.2167 13.6690 13.6690 k = 0.4643 0.1892-0.0000 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4019 2.4019 4.2744 4.2744 6.1632 6.1632 7.0271 7.0271 7.8170 7.8170 8.5313 8.5313 8.7036 8.7036 9.0930 9.0930 10.6887 10.6887 10.9354 10.9354 11.2027 11.2027 11.2844 11.2844 13.2145 13.2145 13.6647 13.6647 k = 0.4821 0.1964-0.0000 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4051 2.4051 4.2736 4.2736 6.1546 6.1546 7.0248 7.0248 7.8207 7.8207 8.5314 8.5314 8.7040 8.7040 9.0933 9.0933 10.6999 10.6999 10.9303 10.9303 11.1993 11.1993 11.2810 11.2810 13.2132 13.2132 13.6621 13.6621 k = 0.5000 0.2037-0.0000 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4062 2.4062 4.2734 4.2734 6.1518 6.1518 7.0240 7.0240 7.8219 7.8219 8.5315 8.5315 8.7041 8.7041 9.0934 9.0934 10.7036 10.7036 10.9286 10.9286 11.1982 11.1982 11.2798 11.2798 13.2128 13.2128 13.6612 13.6612 k = 0.5000 0.2037-0.0000 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4062 2.4062 4.2734 4.2734 6.1518 6.1518 7.0240 7.0240 7.8219 7.8219 8.5315 8.5315 8.7041 8.7041 9.0934 9.0934 10.7036 10.7036 10.9286 10.9286 11.1982 11.1982 11.2798 11.2798 13.2128 13.2128 13.6612 13.6612 k = 0.4948 0.2165 0.0138 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4075 2.4075 4.2740 4.2740 6.1531 6.1531 7.0251 7.0251 7.8218 7.8218 8.5310 8.5310 8.7036 8.7036 9.0922 9.0922 10.7032 10.7032 10.9304 10.9304 11.1997 11.1997 11.2811 11.2811 13.2107 13.2107 13.6474 13.6474 k = 0.4896 0.2293 0.0276 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.4114 2.4114 4.2756 4.2756 6.1573 6.1573 7.0284 7.0284 7.8216 7.8216 8.5296 8.5296 8.7018 8.7018 9.0888 9.0888 10.7022 10.7022 10.9358 10.9358 11.2042 11.2042 11.2849 11.2849 13.2045 13.2045 13.6080 13.6080 k = 0.4844 0.2421 0.0414 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.4179 2.4179 4.2784 4.2784 6.1642 6.1642 7.0339 7.0339 7.8212 7.8212 8.5273 8.5273 8.6990 8.6990 9.0831 9.0831 10.7004 10.7004 10.9447 10.9447 11.2117 11.2117 11.2912 11.2912 13.1942 13.1942 13.5476 13.5476 k = 0.4792 0.2549 0.0552 ( 3340 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6451 -37.6451 -37.5868 -37.5868 2.4270 2.4270 4.2822 4.2822 6.1739 6.1739 7.0416 7.0416 7.8208 7.8208 8.5240 8.5240 8.6951 8.6951 9.0752 9.0752 10.6982 10.6982 10.9570 10.9570 11.2219 11.2219 11.2998 11.2998 13.1801 13.1801 13.4715 13.4715 k = 0.4739 0.2677 0.0690 ( 3346 PWs) bands (ev): -73.2912 -73.2912 -42.0936 -42.0936 -37.6452 -37.6452 -37.5868 -37.5868 2.4385 2.4385 4.2869 4.2869 6.1863 6.1863 7.0514 7.0514 7.8205 7.8205 8.5199 8.5199 8.6902 8.6902 9.0652 9.0652 10.6954 10.6954 10.9723 10.9723 11.2347 11.2347 11.3107 11.3107 13.1621 13.1621 13.3850 13.3850 k = 0.4687 0.2804 0.0828 ( 3342 PWs) bands (ev): -73.2912 -73.2912 -42.0936 -42.0936 -37.6454 -37.6454 -37.5869 -37.5869 2.4526 2.4526 4.2925 4.2925 6.2015 6.2015 7.0633 7.0633 7.8206 7.8206 8.5149 8.5149 8.6845 8.6845 9.0534 9.0534 10.6925 10.6925 10.9904 10.9904 11.2498 11.2498 11.3238 11.3238 13.1406 13.1406 13.2922 13.2922 k = 0.4635 0.2932 0.0967 ( 3334 PWs) bands (ev): -73.2911 -73.2911 -42.0937 -42.0937 -37.6455 -37.6455 -37.5869 -37.5869 2.4690 2.4690 4.2987 4.2987 6.2195 6.2195 7.0773 7.0773 7.8211 7.8211 8.5091 8.5091 8.6780 8.6780 9.0398 9.0398 10.6894 10.6894 11.0109 11.0109 11.2670 11.2670 11.3389 11.3389 13.1155 13.1155 13.1963 13.1963 k = 0.4583 0.3060 0.1105 ( 3334 PWs) bands (ev): -73.2911 -73.2911 -42.0938 -42.0938 -37.6457 -37.6457 -37.5869 -37.5869 2.4879 2.4879 4.3056 4.3056 6.2401 6.2401 7.0933 7.0933 7.8221 7.8221 8.5024 8.5024 8.6709 8.6709 9.0245 9.0245 10.6862 10.6862 11.0335 11.0335 11.2860 11.2860 11.3558 11.3558 13.0832 13.0832 13.1035 13.1035 k = 0.4531 0.3188 0.1243 ( 3338 PWs) bands (ev): -73.2911 -73.2911 -42.0939 -42.0939 -37.6459 -37.6459 -37.5870 -37.5870 2.5090 2.5090 4.3128 4.3128 6.2634 6.2634 7.1111 7.1111 7.8241 7.8241 8.4950 8.4950 8.6632 8.6632 9.0078 9.0078 10.6830 10.6830 11.0577 11.0577 11.3064 11.3064 11.3743 11.3743 13.0000 13.0000 13.0598 13.0598 k = 0.4479 0.3316 0.1381 ( 3332 PWs) bands (ev): -73.2911 -73.2911 -42.0940 -42.0940 -37.6461 -37.6461 -37.5870 -37.5870 2.5322 2.5322 4.3204 4.3204 6.2894 6.2894 7.1308 7.1308 7.8272 7.8272 8.4870 8.4870 8.6551 8.6551 8.9900 8.9900 10.6800 10.6800 11.0829 11.0829 11.3279 11.3279 11.3944 11.3944 12.9065 12.9065 13.0261 13.0261 k = 0.4427 0.3444 0.1519 ( 3328 PWs) bands (ev): -73.2910 -73.2910 -42.0941 -42.0941 -37.6464 -37.6464 -37.5871 -37.5871 2.5576 2.5576 4.3280 4.3280 6.3180 6.3180 7.1523 7.1523 7.8317 7.8317 8.4784 8.4784 8.6466 8.6466 8.9710 8.9710 10.6772 10.6772 11.1086 11.1086 11.3501 11.3501 11.4159 11.4159 12.8159 12.8159 12.9908 12.9908 k = 0.4375 0.3572 0.1657 ( 3330 PWs) bands (ev): -73.2910 -73.2910 -42.0942 -42.0942 -37.6467 -37.6467 -37.5871 -37.5871 2.5850 2.5850 4.3355 4.3355 6.3491 6.3491 7.1754 7.1754 7.8378 7.8378 8.4691 8.4691 8.6378 8.6378 8.9510 8.9510 10.6747 10.6747 11.1340 11.1340 11.3725 11.3725 11.4387 11.4387 12.7297 12.7297 12.9536 12.9536 k = 0.4323 0.3700 0.1795 ( 3328 PWs) bands (ev): -73.2910 -73.2910 -42.0943 -42.0943 -37.6470 -37.6470 -37.5872 -37.5872 2.6143 2.6143 4.3427 4.3427 6.3825 6.3825 7.2001 7.2001 7.8459 7.8459 8.4595 8.4595 8.6289 8.6289 8.9304 8.9304 10.6726 10.6726 11.1583 11.1583 11.3947 11.3947 11.4625 11.4625 12.6490 12.6490 12.9147 12.9147 k = 0.4271 0.3827 0.1933 ( 3328 PWs) bands (ev): -73.2910 -73.2910 -42.0944 -42.0944 -37.6473 -37.6473 -37.5872 -37.5872 2.6453 2.6453 4.3495 4.3495 6.4183 6.4183 7.2262 7.2262 7.8562 7.8562 8.4496 8.4496 8.6198 8.6198 8.9093 8.9093 10.6708 10.6708 11.1807 11.1807 11.4162 11.4162 11.4873 11.4873 12.5749 12.5749 12.8745 12.8745 k = 0.4218 0.3955 0.2071 ( 3334 PWs) bands (ev): -73.2910 -73.2910 -42.0945 -42.0945 -37.6476 -37.6476 -37.5873 -37.5873 2.6780 2.6780 4.3557 4.3557 6.4561 6.4561 7.2536 7.2536 7.8690 7.8690 8.4394 8.4394 8.6106 8.6106 8.8877 8.8877 10.6694 10.6694 11.2003 11.2003 11.4367 11.4367 11.5129 11.5129 12.5082 12.5082 12.8329 12.8329 k = 0.4166 0.4083 0.2209 ( 3328 PWs) bands (ev): -73.2909 -73.2909 -42.0947 -42.0947 -37.6479 -37.6479 -37.5873 -37.5873 2.7123 2.7123 4.3611 4.3611 6.4959 6.4959 7.2822 7.2822 7.8848 7.8848 8.4292 8.4292 8.6014 8.6014 8.8660 8.8660 10.6685 10.6685 11.2161 11.2161 11.4557 11.4557 11.5390 11.5390 12.4498 12.4498 12.7904 12.7904 k = 0.4114 0.4211 0.2347 ( 3328 PWs) bands (ev): -73.2909 -73.2909 -42.0948 -42.0948 -37.6483 -37.6483 -37.5874 -37.5874 2.7479 2.7479 4.3656 4.3656 6.5374 6.5374 7.3120 7.3120 7.9035 7.9035 8.4189 8.4189 8.5923 8.5923 8.8443 8.8443 10.6680 10.6680 11.2272 11.2272 11.4730 11.4730 11.5652 11.5652 12.4005 12.4005 12.7471 12.7471 k = 0.4062 0.4339 0.2485 ( 3336 PWs) bands (ev): -73.2909 -73.2909 -42.0950 -42.0950 -37.6487 -37.6487 -37.5874 -37.5874 2.7847 2.7847 4.3690 4.3690 6.5803 6.5803 7.3428 7.3428 7.9254 7.9254 8.4088 8.4088 8.5832 8.5832 8.8227 8.8227 10.6680 10.6680 11.2330 11.2330 11.4882 11.4882 11.5912 11.5912 12.3607 12.3607 12.7031 12.7031 k = 0.4010 0.4467 0.2624 ( 3336 PWs) bands (ev): -73.2908 -73.2908 -42.0951 -42.0951 -37.6490 -37.6490 -37.5875 -37.5875 2.8227 2.8227 4.3713 4.3713 6.6243 6.6243 7.3746 7.3746 7.9507 7.9507 8.3990 8.3990 8.5744 8.5744 8.8014 8.8014 10.6686 10.6686 11.2331 11.2331 11.5012 11.5012 11.6166 11.6166 12.3305 12.3305 12.6587 12.6587 k = 0.3958 0.4595 0.2762 ( 3328 PWs) bands (ev): -73.2908 -73.2908 -42.0953 -42.0953 -37.6494 -37.6494 -37.5875 -37.5875 2.8617 2.8617 4.3723 4.3723 6.6691 6.6691 7.4073 7.4073 7.9793 7.9793 8.3897 8.3897 8.5660 8.5660 8.7806 8.7806 10.6696 10.6696 11.2274 11.2274 11.5118 11.5118 11.6410 11.6410 12.3096 12.3096 12.6140 12.6140 k = 0.3906 0.4723 0.2900 ( 3324 PWs) bands (ev): -73.2908 -73.2908 -42.0954 -42.0954 -37.6498 -37.6498 -37.5876 -37.5876 2.9015 2.9015 4.3720 4.3720 6.7144 6.7144 7.4408 7.4408 8.0111 8.0111 8.3812 8.3812 8.5581 8.5581 8.7604 8.7604 10.6712 10.6712 11.2165 11.2165 11.5197 11.5197 11.6638 11.6638 12.2972 12.2972 12.5692 12.5692 k = 0.3854 0.4850 0.3038 ( 3324 PWs) bands (ev): -73.2907 -73.2907 -42.0956 -42.0956 -37.6502 -37.6502 -37.5876 -37.5876 2.9420 2.9420 4.3703 4.3703 6.7597 6.7597 7.4751 7.4751 8.0457 8.0457 8.3737 8.3737 8.5511 8.5511 8.7408 8.7408 10.6734 10.6734 11.2012 11.2012 11.5249 11.5249 11.6846 11.6846 12.2918 12.2918 12.5245 12.5245 k = 0.3802 0.4978 0.3176 ( 3324 PWs) bands (ev): -73.2907 -73.2907 -42.0957 -42.0957 -37.6507 -37.6507 -37.5877 -37.5877 2.9831 2.9831 4.3673 4.3673 6.8047 6.8047 7.5101 7.5101 8.0821 8.0821 8.3679 8.3679 8.5453 8.5453 8.7220 8.7220 10.6761 10.6761 11.1824 11.1824 11.5271 11.5271 11.7028 11.7028 12.2920 12.2920 12.4801 12.4801 k = 0.3750 0.5106 0.3314 ( 3316 PWs) bands (ev): -73.2906 -73.2906 -42.0959 -42.0959 -37.6511 -37.6511 -37.5877 -37.5877 3.0246 3.0246 4.3628 4.3628 6.8490 6.8490 7.5458 7.5458 8.1190 8.1190 8.3646 8.3646 8.5417 8.5417 8.7042 8.7042 10.6794 10.6794 11.1613 11.1613 11.5263 11.5263 11.7179 11.7179 12.2956 12.2956 12.4366 12.4366 k = 0.3697 0.5234 0.3452 ( 3316 PWs) bands (ev): -73.2906 -73.2906 -42.0961 -42.0961 -37.6515 -37.6515 -37.5878 -37.5878 3.0663 3.0663 4.3569 4.3569 6.8923 6.8923 7.5820 7.5820 8.1537 8.1537 8.3650 8.3650 8.5415 8.5415 8.6875 8.6875 10.6832 10.6832 11.1390 11.1390 11.5225 11.5225 11.7294 11.7294 12.2999 12.2999 12.3952 12.3952 k = 0.3645 0.5362 0.3590 ( 3316 PWs) bands (ev): -73.2906 -73.2906 -42.0962 -42.0962 -37.6519 -37.6519 -37.5878 -37.5878 3.1083 3.1083 4.3496 4.3496 6.9343 6.9343 7.6185 7.6185 8.1829 8.1829 8.3702 8.3702 8.5469 8.5469 8.6724 8.6724 10.6876 10.6876 11.1165 11.1165 11.5158 11.5158 11.7366 11.7366 12.2986 12.2986 12.3608 12.3608 k = 0.3593 0.5490 0.3728 ( 3316 PWs) bands (ev): -73.2905 -73.2905 -42.0964 -42.0964 -37.6523 -37.6523 -37.5879 -37.5879 3.1503 3.1503 4.3410 4.3410 6.9747 6.9747 7.6553 7.6553 8.2034 8.2034 8.3796 8.3796 8.5609 8.5609 8.6597 8.6597 10.6925 10.6925 11.0946 11.0946 11.5063 11.5063 11.7389 11.7389 12.2785 12.2785 12.3453 12.3453 k = 0.3541 0.5618 0.3866 ( 3310 PWs) bands (ev): -73.2905 -73.2905 -42.0965 -42.0965 -37.6527 -37.6527 -37.5879 -37.5879 3.1923 3.1923 4.3311 4.3311 7.0132 7.0132 7.6920 7.6920 8.2147 8.2147 8.3898 8.3898 8.5840 8.5840 8.6529 8.6529 10.6979 10.6979 11.0738 11.0738 11.4941 11.4941 11.7359 11.7359 12.2423 12.2423 12.3451 12.3451 k = 0.3489 0.5746 0.4004 ( 3314 PWs) bands (ev): -73.2905 -73.2905 -42.0967 -42.0967 -37.6531 -37.6531 -37.5879 -37.5879 3.2341 3.2341 4.3200 4.3200 7.0499 7.0499 7.7283 7.7283 8.2186 8.2186 8.3971 8.3971 8.6023 8.6023 8.6679 8.6679 10.7038 10.7038 11.0547 11.0547 11.4794 11.4794 11.7271 11.7271 12.2015 12.2015 12.3479 12.3479 k = 0.3437 0.5873 0.4142 ( 3318 PWs) bands (ev): -73.2904 -73.2904 -42.0969 -42.0969 -37.6535 -37.6535 -37.5880 -37.5880 3.2757 3.2757 4.3076 4.3076 7.0844 7.0844 7.7640 7.7640 8.2177 8.2177 8.4004 8.4004 8.6014 8.6014 8.7175 8.7175 10.7102 10.7102 11.0374 11.0374 11.4625 11.4625 11.7121 11.7121 12.1596 12.1596 12.3494 12.3494 k = 0.3385 0.6001 0.4281 ( 3326 PWs) bands (ev): -73.2904 -73.2904 -42.0970 -42.0970 -37.6539 -37.6539 -37.5880 -37.5880 3.3169 3.3169 4.2942 4.2942 7.1168 7.1168 7.7986 7.7986 8.2139 8.2139 8.4006 8.4006 8.5939 8.5939 8.7863 8.7863 10.7168 10.7168 11.0222 11.0222 11.4438 11.4438 11.6907 11.6907 12.1175 12.1175 12.3485 12.3485 k = 0.3333 0.6129 0.4419 ( 3336 PWs) bands (ev): -73.2904 -73.2904 -42.0972 -42.0972 -37.6543 -37.6543 -37.5881 -37.5881 3.3577 3.3577 4.2797 4.2797 7.1469 7.1469 7.8319 7.8319 8.2087 8.2087 8.3990 8.3990 8.5855 8.5855 8.8661 8.8661 10.7235 10.7235 11.0089 11.0089 11.4234 11.4234 11.6629 11.6629 12.0756 12.0756 12.3444 12.3444 k = 0.3281 0.6257 0.4557 ( 3336 PWs) bands (ev): -73.2904 -73.2904 -42.0973 -42.0973 -37.6547 -37.6547 -37.5881 -37.5881 3.3980 3.3980 4.2642 4.2642 7.1749 7.1749 7.8634 7.8634 8.2029 8.2029 8.3967 8.3967 8.5775 8.5775 8.9539 8.9539 10.7303 10.7303 10.9976 10.9976 11.4019 11.4019 11.6288 11.6288 12.0340 12.0340 12.3372 12.3372 k = 0.3229 0.6385 0.4695 ( 3330 PWs) bands (ev): -73.2903 -73.2903 -42.0974 -42.0974 -37.6550 -37.6550 -37.5881 -37.5881 3.4378 3.4378 4.2477 4.2477 7.2006 7.2006 7.8927 7.8927 8.1972 8.1972 8.3941 8.3941 8.5704 8.5704 9.0479 9.0479 10.7366 10.7366 10.9879 10.9879 11.3795 11.3795 11.5888 11.5888 11.9930 11.9930 12.3267 12.3267 k = 0.3176 0.6513 0.4833 ( 3328 PWs) bands (ev): -73.2903 -73.2903 -42.0975 -42.0975 -37.6553 -37.6553 -37.5881 -37.5881 3.4769 3.4769 4.2304 4.2304 7.2240 7.2240 7.9193 7.9193 8.1920 8.1920 8.3918 8.3918 8.5643 8.5643 9.1471 9.1471 10.7420 10.7420 10.9794 10.9794 11.3565 11.3565 11.5438 11.5438 11.9524 11.9524 12.3132 12.3132 k = 0.3124 0.6641 0.4971 ( 3336 PWs) bands (ev): -73.2903 -73.2903 -42.0977 -42.0977 -37.6557 -37.6557 -37.5882 -37.5882 3.5155 3.5155 4.2122 4.2122 7.2450 7.2450 7.9428 7.9428 8.1877 8.1877 8.3900 8.3900 8.5594 8.5594 9.2507 9.2507 10.7459 10.7459 10.9717 10.9717 11.3333 11.3333 11.4947 11.4947 11.9125 11.9125 12.2971 12.2971 k = 0.3072 0.6769 0.5109 ( 3344 PWs) bands (ev): -73.2903 -73.2903 -42.0978 -42.0978 -37.6560 -37.6560 -37.5882 -37.5882 3.5534 3.5534 4.1932 4.1932 7.2637 7.2637 7.9626 7.9626 8.1849 8.1849 8.3889 8.3889 8.5557 8.5557 9.3580 9.3580 10.7473 10.7473 10.9643 10.9643 11.3102 11.3102 11.4432 11.4432 11.8731 11.8731 12.2787 12.2787 k = 0.3020 0.6896 0.5247 ( 3342 PWs) bands (ev): -73.2903 -73.2903 -42.0979 -42.0979 -37.6562 -37.6562 -37.5882 -37.5882 3.5906 3.5906 4.1735 4.1735 7.2801 7.2801 7.9784 7.9784 8.1840 8.1840 8.3890 8.3890 8.5533 8.5533 9.4685 9.4685 10.7447 10.7447 10.9567 10.9567 11.2875 11.2875 11.3911 11.3911 11.8345 11.8345 12.2585 12.2585 k = 0.2968 0.7024 0.5385 ( 3344 PWs) bands (ev): -73.2902 -73.2902 -42.0980 -42.0980 -37.6565 -37.6565 -37.5882 -37.5882 3.6271 3.6271 4.1529 4.1529 7.2940 7.2940 7.9899 7.9899 8.1853 8.1853 8.3901 8.3901 8.5522 8.5522 9.5816 9.5816 10.7363 10.7363 10.9480 10.9480 11.2657 11.2657 11.3411 11.3411 11.7966 11.7966 12.2370 12.2370 k = 0.2916 0.7152 0.5523 ( 3340 PWs) bands (ev): -73.2902 -73.2902 -42.0981 -42.0981 -37.6567 -37.6567 -37.5882 -37.5882 3.6629 3.6629 4.1317 4.1317 7.3056 7.3056 7.9973 7.9973 8.1887 8.1887 8.3923 8.3923 8.5525 8.5525 9.6969 9.6969 10.7198 10.7198 10.9378 10.9378 11.2449 11.2449 11.2961 11.2961 11.7594 11.7594 12.2145 12.2145 k = 0.2864 0.7280 0.5661 ( 3350 PWs) bands (ev): -73.2902 -73.2902 -42.0981 -42.0981 -37.6569 -37.6569 -37.5882 -37.5882 3.6980 3.6980 4.1096 4.1096 7.3148 7.3148 8.0009 8.0009 8.1938 8.1938 8.3957 8.3957 8.5542 8.5542 9.8138 9.8138 10.6928 10.6928 10.9253 10.9253 11.2256 11.2256 11.2590 11.2590 11.7230 11.7230 12.1916 12.1916 k = 0.2812 0.7408 0.5799 ( 3350 PWs) bands (ev): -73.2902 -73.2902 -42.0982 -42.0982 -37.6571 -37.6571 -37.5883 -37.5883 3.7324 3.7324 4.0868 4.0868 7.3217 7.3217 8.0016 8.0016 8.2001 8.2001 8.4002 8.4002 8.5572 8.5572 9.9315 9.9315 10.6542 10.6542 10.9098 10.9098 11.2074 11.2074 11.2327 11.2327 11.6874 11.6874 12.1684 12.1684 k = 0.2760 0.7536 0.5938 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6573 -37.6573 -37.5883 -37.5883 3.7662 3.7662 4.0633 4.0633 7.3264 7.3264 8.0001 8.0001 8.2072 8.2072 8.4058 8.4058 8.5616 8.5616 10.0493 10.0493 10.6043 10.6043 10.8909 10.8909 11.1894 11.1894 11.2191 11.2191 11.6528 11.6528 12.1452 12.1452 k = 0.2708 0.7664 0.6076 ( 3348 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.7992 3.7992 4.0388 4.0388 7.3288 7.3288 7.9970 7.9970 8.2146 8.2146 8.4121 8.4121 8.5672 8.5672 10.1649 10.1649 10.5461 10.5461 10.8680 10.8680 11.1725 11.1725 11.2166 11.2166 11.6191 11.6191 12.1220 12.1220 k = 0.2708 0.7664 0.6076 ( 3348 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.7992 3.7992 4.0388 4.0388 7.3288 7.3288 7.9970 7.9970 8.2146 8.2146 8.4121 8.4121 8.5672 8.5672 10.1649 10.1649 10.5461 10.5461 10.8680 10.8680 11.1725 11.1725 11.2166 11.2166 11.6191 11.6191 12.1220 12.1220 k = 0.2527 0.7630 0.6112 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.8078 3.8078 4.0322 4.0322 7.3289 7.3289 7.9954 7.9954 8.2172 8.2172 8.4137 8.4137 8.5698 8.5698 10.1922 10.1922 10.5288 10.5288 10.8634 10.8634 11.1666 11.1666 11.2203 11.2203 11.6115 11.6115 12.1146 12.1146 k = 0.2347 0.7596 0.6149 ( 3344 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6574 -37.6574 -37.5883 -37.5883 3.8165 3.8165 4.0256 4.0256 7.3287 7.3287 7.9930 7.9930 8.2207 8.2207 8.4148 8.4148 8.5742 8.5742 10.2130 10.2130 10.5106 10.5106 10.8620 10.8620 11.1576 11.1576 11.2302 11.2302 11.6064 11.6064 12.1047 12.1047 k = 0.2166 0.7562 0.6186 ( 3345 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6575 -37.6575 -37.5883 -37.5883 3.8250 3.8250 4.0190 4.0190 7.3282 7.3282 7.9897 7.9897 8.2250 8.2250 8.4158 8.4158 8.5801 8.5801 10.2259 10.2259 10.4942 10.4942 10.8623 10.8623 11.1457 11.1457 11.2463 11.2463 11.6038 11.6038 12.0923 12.0923 k = 0.1986 0.7528 0.6222 ( 3343 PWs) bands (ev): -73.2902 -73.2902 -42.0983 -42.0983 -37.6575 -37.6575 -37.5883 -37.5883 3.8335 3.8335 4.0123 4.0123 7.3274 7.3274 7.9859 7.9859 8.2297 8.2297 8.4166 8.4166 8.5874 8.5874 10.2301 10.2301 10.4820 10.4820 10.8636 10.8636 11.1314 11.1314 11.2682 11.2682 11.6035 11.6035 12.0775 12.0775 k = 0.1805 0.7494 0.6259 ( 3345 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8419 3.8419 4.0057 4.0057 7.3264 7.3264 7.9818 7.9818 8.2345 8.2345 8.4175 8.4175 8.5955 8.5955 10.2256 10.2256 10.4748 10.4748 10.8651 10.8651 11.1153 11.1153 11.2954 11.2954 11.6052 11.6052 12.0605 12.0605 k = 0.1625 0.7460 0.6296 ( 3347 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8502 3.8502 3.9991 3.9991 7.3253 7.3253 7.9774 7.9774 8.2391 8.2391 8.4187 8.4187 8.6043 8.6043 10.2142 10.2142 10.4722 10.4722 10.8667 10.8667 11.0983 11.0983 11.3270 11.3270 11.6084 11.6084 12.0412 12.0412 k = 0.1444 0.7426 0.6332 ( 3347 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6575 -37.6575 -37.5883 -37.5883 3.8583 3.8583 3.9925 3.9925 7.3240 7.3240 7.9732 7.9732 8.2433 8.2433 8.4201 8.4201 8.6133 8.6133 10.1980 10.1980 10.4728 10.4728 10.8680 10.8680 11.0810 11.0810 11.3623 11.3623 11.6127 11.6127 12.0198 12.0198 k = 0.1264 0.7392 0.6369 ( 3349 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8663 3.8663 3.9859 3.9859 7.3227 7.3227 7.9692 7.9692 8.2470 8.2470 8.4219 8.4219 8.6222 8.6222 10.1796 10.1796 10.4750 10.4750 10.8690 10.8690 11.0641 11.0641 11.4003 11.4003 11.6176 11.6176 11.9963 11.9963 k = 0.1083 0.7358 0.6406 ( 3355 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8740 3.8740 3.9795 3.9795 7.3214 7.3214 7.9654 7.9654 8.2500 8.2500 8.4239 8.4239 8.6306 8.6306 10.1609 10.1609 10.4778 10.4778 10.8697 10.8697 11.0484 11.0484 11.4398 11.4398 11.6228 11.6228 11.9711 11.9711 k = 0.0903 0.7324 0.6442 ( 3347 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8814 3.8814 3.9732 3.9732 7.3202 7.3202 7.9622 7.9622 8.2525 8.2525 8.4261 8.4261 8.6385 8.6385 10.1432 10.1432 10.4807 10.4807 10.8700 10.8700 11.0343 11.0343 11.4797 11.4797 11.6280 11.6280 11.9444 11.9444 k = 0.0722 0.7290 0.6479 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8883 3.8883 3.9672 3.9672 7.3192 7.3192 7.9594 7.9594 8.2544 8.2544 8.4283 8.4283 8.6452 8.6452 10.1276 10.1276 10.4832 10.4832 10.8701 10.8701 11.0223 11.0223 11.5186 11.5186 11.6330 11.6330 11.9168 11.9168 k = 0.0542 0.7256 0.6516 ( 3345 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8945 3.8945 3.9618 3.9618 7.3183 7.3183 7.9572 7.9572 8.2558 8.2558 8.4301 8.4301 8.6507 8.6507 10.1148 10.1148 10.4852 10.4852 10.8701 10.8701 11.0127 11.0127 11.5544 11.5544 11.6381 11.6381 11.8896 11.8896 k = 0.0361 0.7222 0.6552 ( 3344 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.8996 3.8996 3.9571 3.9571 7.3177 7.3177 7.9556 7.9556 8.2567 8.2567 8.4316 8.4316 8.6548 8.6548 10.1054 10.1054 10.4867 10.4867 10.8699 10.8699 11.0057 11.0057 11.5838 11.5838 11.6436 11.6436 11.8648 11.8648 k = 0.0181 0.7188 0.6589 ( 3340 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.9031 3.9031 3.9539 3.9539 7.3173 7.3173 7.9546 7.9546 8.2572 8.2572 8.4326 8.4326 8.6573 8.6573 10.0995 10.0995 10.4876 10.4876 10.8698 10.8698 11.0015 11.0015 11.6026 11.6026 11.6498 11.6498 11.8461 11.8461 k = 0.0000 0.7154 0.6626 ( 3334 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.9044 3.9044 3.9527 3.9527 7.3171 7.3171 7.9544 7.9544 8.2574 8.2574 8.4329 8.4329 8.6582 8.6582 10.0976 10.0976 10.4879 10.4879 10.8697 10.8697 11.0001 11.0001 11.6086 11.6086 11.6531 11.6531 11.8389 11.8389 k = 0.0000 0.7154 0.6626 ( 3334 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.9044 3.9044 3.9527 3.9527 7.3171 7.3171 7.9544 7.9544 8.2574 8.2574 8.4329 8.4329 8.6582 8.6582 10.0976 10.0976 10.4879 10.4879 10.8697 10.8697 11.0001 11.0001 11.6086 11.6086 11.6531 11.6531 11.8389 11.8389 k = 0.0052 0.7027 0.6764 ( 3336 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6576 -37.6576 -37.5883 -37.5883 3.9056 3.9056 3.9539 3.9539 7.3186 7.3186 7.9537 7.9537 8.2563 8.2563 8.4319 8.4319 8.6567 8.6567 10.0934 10.0934 10.4862 10.4862 10.8683 10.8683 11.0013 11.0013 11.6083 11.6083 11.6500 11.6500 11.8519 11.8519 k = 0.0104 0.6899 0.6902 ( 3344 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6577 -37.6577 -37.5883 -37.5883 3.9092 3.9092 3.9574 3.9574 7.3228 7.3228 7.9515 7.9515 8.2528 8.2528 8.4289 8.4289 8.6522 8.6522 10.0808 10.0808 10.4812 10.4812 10.8639 10.8639 11.0047 11.0047 11.6062 11.6062 11.6458 11.6458 11.8868 11.8868 k = 0.0156 0.6771 0.7040 ( 3346 PWs) bands (ev): -73.2902 -73.2902 -42.0984 -42.0984 -37.6577 -37.6577 -37.5883 -37.5883 3.9152 3.9152 3.9632 3.9632 7.3298 7.3298 7.9480 7.9480 8.2471 8.2471 8.4239 8.4239 8.6448 8.6448 10.0602 10.0602 10.4732 10.4732 10.8567 10.8567 11.0104 11.0104 11.6019 11.6019 11.6476 11.6476 11.9365 11.9365 k = 0.0208 0.6643 0.7178 ( 3348 PWs) bands (ev): -73.2902 -73.2902 -42.0985 -42.0985 -37.6578 -37.6578 -37.5884 -37.5884 3.9234 3.9234 3.9712 3.9712 7.3396 7.3396 7.9431 7.9431 8.2393 8.2393 8.4171 8.4171 8.6347 8.6347 10.0322 10.0322 10.4624 10.4624 10.8466 10.8466 11.0181 11.0181 11.5986 11.5986 11.6563 11.6563 11.9964 11.9964 k = 0.0260 0.6515 0.7316 ( 3354 PWs) bands (ev): -73.2901 -73.2901 -42.0985 -42.0985 -37.6579 -37.6579 -37.5884 -37.5884 3.9340 3.9340 3.9815 3.9815 7.3521 7.3521 7.9369 7.9369 8.2292 8.2292 8.4084 8.4084 8.6220 8.6220 9.9974 9.9974 10.4494 10.4494 10.8336 10.8336 11.0275 11.0275 11.6000 11.6000 11.6702 11.6702 12.0636 12.0636 k = 0.0312 0.6387 0.7454 ( 3350 PWs) bands (ev): -73.2901 -73.2901 -42.0986 -42.0986 -37.6580 -37.6580 -37.5884 -37.5884 3.9468 3.9468 3.9938 3.9938 7.3671 7.3671 7.9296 7.9296 8.2170 8.2170 8.3980 8.3980 8.6069 8.6069 9.9567 9.9567 10.4346 10.4346 10.8181 10.8181 11.0382 11.0382 11.6077 11.6077 11.6884 11.6884 12.1365 12.1365 k = 0.0365 0.6260 0.7592 ( 3348 PWs) bands (ev): -73.2901 -73.2901 -42.0986 -42.0986 -37.6581 -37.6581 -37.5885 -37.5885 3.9616 3.9616 4.0083 4.0083 7.3846 7.3846 7.9210 7.9210 8.2028 8.2028 8.3860 8.3860 8.5897 8.5897 9.9110 9.9110 10.4183 10.4183 10.8003 10.8003 11.0499 11.0499 11.6224 11.6224 11.7104 11.7104 12.2139 12.2139 k = 0.0417 0.6132 0.7730 ( 3340 PWs) bands (ev): -73.2901 -73.2901 -42.0987 -42.0987 -37.6583 -37.6583 -37.5886 -37.5886 3.9785 3.9785 4.0247 4.0247 7.4044 7.4044 7.9115 7.9115 8.1866 8.1866 8.3725 8.3725 8.5706 8.5706 9.8612 9.8612 10.4011 10.4011 10.7805 10.7805 11.0623 11.0623 11.6439 11.6439 11.7362 11.7362 12.2948 12.2948 k = 0.0469 0.6004 0.7868 ( 3342 PWs) bands (ev): -73.2901 -73.2901 -42.0988 -42.0988 -37.6584 -37.6584 -37.5886 -37.5886 3.9973 3.9973 4.0429 4.0429 7.4262 7.4262 7.9010 7.9010 8.1685 8.1685 8.3575 8.3575 8.5499 8.5499 9.8082 9.8082 10.3831 10.3831 10.7589 10.7589 11.0750 11.0750 11.6722 11.6722 11.7655 11.7655 12.3786 12.3786 k = 0.0521 0.5876 0.8006 ( 3338 PWs) bands (ev): -73.2901 -73.2901 -42.0989 -42.0989 -37.6586 -37.6586 -37.5887 -37.5887 4.0178 4.0178 4.0629 4.0629 7.4497 7.4497 7.8900 7.8900 8.1487 8.1487 8.3413 8.3413 8.5279 8.5279 9.7529 9.7529 10.3646 10.3646 10.7361 10.7361 11.0878 11.0878 11.7067 11.7067 11.7984 11.7984 12.4647 12.4647 k = 0.0573 0.5748 0.8144 ( 3338 PWs) bands (ev): -73.2900 -73.2900 -42.0990 -42.0990 -37.6588 -37.6588 -37.5888 -37.5888 4.0400 4.0400 4.0845 4.0845 7.4744 7.4744 7.8785 7.8785 8.1272 8.1272 8.3239 8.3239 8.5051 8.5051 9.6960 9.6960 10.3460 10.3460 10.7124 10.7124 11.1006 11.1006 11.7471 11.7471 11.8349 11.8349 12.5526 12.5526 k = 0.0625 0.5620 0.8282 ( 3346 PWs) bands (ev): -73.2900 -73.2900 -42.0991 -42.0991 -37.6591 -37.6591 -37.5889 -37.5889 4.0636 4.0636 4.1076 4.1076 7.4998 7.4998 7.8670 7.8670 8.1042 8.1042 8.3055 8.3055 8.4818 8.4818 9.6383 9.6383 10.3274 10.3274 10.6882 10.6882 11.1131 11.1131 11.7929 11.7929 11.8749 11.8749 12.6419 12.6419 k = 0.0677 0.5493 0.8420 ( 3336 PWs) bands (ev): -73.2900 -73.2900 -42.0992 -42.0992 -37.6593 -37.6593 -37.5890 -37.5890 4.0886 4.0886 4.1319 4.1319 7.5251 7.5251 7.8561 7.8561 8.0799 8.0799 8.2863 8.2863 8.4586 8.4586 9.5804 9.5804 10.3090 10.3090 10.6641 10.6641 11.1254 11.1254 11.8435 11.8435 11.9184 11.9184 12.7322 12.7322 k = 0.0729 0.5365 0.8558 ( 3344 PWs) bands (ev): -73.2900 -73.2900 -42.0993 -42.0993 -37.6596 -37.6596 -37.5891 -37.5891 4.1146 4.1146 4.1574 4.1574 7.5492 7.5492 7.8463 7.8463 8.0542 8.0542 8.2665 8.2665 8.4358 8.4358 9.5227 9.5227 10.2909 10.2909 10.6403 10.6403 11.1373 11.1373 11.8986 11.8986 11.9654 11.9654 12.8232 12.8232 k = 0.0781 0.5237 0.8696 ( 3344 PWs) bands (ev): -73.2899 -73.2899 -42.0995 -42.0995 -37.6598 -37.6598 -37.5892 -37.5892 4.1416 4.1416 4.1839 4.1839 7.5707 7.5707 7.8385 7.8385 8.0274 8.0274 8.2466 8.2466 8.4142 8.4142 9.4657 9.4657 10.2733 10.2733 10.6174 10.6174 11.1487 11.1487 11.9576 11.9576 12.0161 12.0161 12.9147 12.9147 k = 0.0833 0.5109 0.8834 ( 3344 PWs) bands (ev): -73.2899 -73.2899 -42.0996 -42.0996 -37.6601 -37.6601 -37.5893 -37.5893 4.1694 4.1694 4.2111 4.2111 7.5878 7.5878 7.8338 7.8338 7.9996 7.9996 8.2269 8.2269 8.3944 8.3944 9.4098 9.4098 10.2562 10.2562 10.5958 10.5958 11.1598 11.1598 12.0199 12.0199 12.0705 12.0705 13.0064 13.0064 k = 0.0885 0.4981 0.8972 ( 3342 PWs) bands (ev): -73.2899 -73.2899 -42.0998 -42.0998 -37.6604 -37.6604 -37.5894 -37.5894 4.1976 4.1976 4.2390 4.2390 7.5990 7.5990 7.8327 7.8327 7.9709 7.9709 8.2079 8.2079 8.3774 8.3774 9.3553 9.3553 10.2397 10.2397 10.5759 10.5759 11.1703 11.1703 12.0849 12.0849 12.1291 12.1291 13.0980 13.0980 k = 0.0938 0.4854 0.9110 ( 3340 PWs) bands (ev): -73.2898 -73.2898 -42.0999 -42.0999 -37.6607 -37.6607 -37.5895 -37.5895 4.2263 4.2263 4.2673 4.2673 7.6034 7.6034 7.8346 7.8346 7.9415 7.9415 8.1900 8.1900 8.3643 8.3643 9.3023 9.3023 10.2238 10.2238 10.5582 10.5582 11.1803 11.1803 12.1519 12.1519 12.1921 12.1921 13.1895 13.1895 k = 0.0990 0.4726 0.9248 ( 3346 PWs) bands (ev): -73.2898 -73.2898 -42.1001 -42.1001 -37.6610 -37.6610 -37.5897 -37.5897 4.2551 4.2551 4.2958 4.2958 7.6012 7.6012 7.8378 7.8378 7.9116 7.9116 8.1734 8.1734 8.3568 8.3568 9.2510 9.2510 10.2087 10.2087 10.5429 10.5429 11.1897 11.1897 12.2205 12.2205 12.2597 12.2597 13.2805 13.2805 k = 0.1042 0.4598 0.9386 ( 3344 PWs) bands (ev): -73.2898 -73.2898 -42.1002 -42.1002 -37.6614 -37.6614 -37.5898 -37.5898 4.2839 4.2839 4.3244 4.3244 7.5934 7.5934 7.8384 7.8384 7.8829 7.8829 8.1579 8.1579 8.3567 8.3567 9.2016 9.2016 10.1943 10.1943 10.5305 10.5305 11.1985 11.1985 12.2905 12.2905 12.3317 12.3317 13.3709 13.3709 k = 0.1094 0.4470 0.9524 ( 3344 PWs) bands (ev): -73.2898 -73.2898 -42.1004 -42.1004 -37.6617 -37.6617 -37.5899 -37.5899 4.3125 4.3125 4.3528 4.3528 7.5814 7.5814 7.8285 7.8285 7.8614 7.8614 8.1430 8.1430 8.3656 8.3656 9.1540 9.1540 10.1807 10.1807 10.5212 10.5212 11.2067 11.2067 12.3624 12.3624 12.4076 12.4076 13.4605 13.4605 k = 0.1146 0.4342 0.9662 ( 3346 PWs) bands (ev): -73.2897 -73.2897 -42.1005 -42.1005 -37.6620 -37.6620 -37.5900 -37.5900 4.3406 4.3406 4.3809 4.3809 7.5663 7.5663 7.8027 7.8027 7.8514 7.8514 8.1279 8.1279 8.3845 8.3845 9.1084 9.1084 10.1679 10.1679 10.5154 10.5154 11.2142 11.2142 12.4364 12.4364 12.4865 12.4865 13.5491 13.5491 k = 0.1198 0.4214 0.9800 ( 3350 PWs) bands (ev): -73.2897 -73.2897 -42.1007 -42.1007 -37.6624 -37.6624 -37.5901 -37.5901 4.3683 4.3683 4.4085 4.4085 7.5491 7.5491 7.7703 7.7703 7.8438 7.8438 8.1121 8.1121 8.4131 8.4131 9.0647 9.0647 10.1559 10.1559 10.5132 10.5132 11.2209 11.2209 12.5130 12.5130 12.5679 12.5679 13.6366 13.6366 k = 0.1250 0.4087 0.9938 ( 3352 PWs) bands (ev): -73.2897 -73.2897 -42.1008 -42.1008 -37.6627 -37.6627 -37.5902 -37.5902 4.3952 4.3952 4.4354 4.4354 7.5304 7.5304 7.7359 7.7359 7.8350 7.8350 8.0956 8.0956 8.4503 8.4503 9.0230 9.0230 10.1448 10.1448 10.5149 10.5149 11.2267 11.2267 12.5925 12.5925 12.6512 12.6512 13.7228 13.7228 k = 0.1302 0.3959 1.0076 ( 3346 PWs) bands (ev): -73.2896 -73.2896 -42.1010 -42.1010 -37.6631 -37.6631 -37.5903 -37.5903 4.4214 4.4214 4.4614 4.4614 7.5108 7.5108 7.7006 7.7006 7.8250 7.8250 8.0784 8.0784 8.4946 8.4946 8.9833 8.9833 10.1345 10.1345 10.5205 10.5205 11.2317 11.2317 12.6748 12.6748 12.7361 12.7361 13.8075 13.8075 k = 0.1354 0.3831 1.0214 ( 3342 PWs) bands (ev): -73.2896 -73.2896 -42.1012 -42.1012 -37.6634 -37.6634 -37.5904 -37.5904 4.4466 4.4466 4.4864 4.4864 7.4904 7.4904 7.6647 7.6647 7.8144 7.8144 8.0608 8.0608 8.5443 8.5443 8.9457 8.9457 10.1250 10.1250 10.5300 10.5300 11.2358 11.2358 12.7600 12.7600 12.8222 12.8222 13.8905 13.8905 k = 0.1406 0.3703 1.0353 ( 3340 PWs) bands (ev): -73.2896 -73.2896 -42.1013 -42.1013 -37.6638 -37.6638 -37.5905 -37.5905 4.4708 4.4708 4.5103 4.5103 7.4696 7.4696 7.6286 7.6286 7.8040 7.8040 8.0432 8.0432 8.5977 8.5977 8.9107 8.9107 10.1164 10.1164 10.5435 10.5435 11.2389 11.2389 12.8481 12.8481 12.9092 12.9092 13.9716 13.9716 k = 0.1458 0.3575 1.0491 ( 3338 PWs) bands (ev): -73.2895 -73.2895 -42.1015 -42.1015 -37.6641 -37.6641 -37.5906 -37.5906 4.4938 4.4938 4.5330 4.5330 7.4486 7.4486 7.5926 7.5926 7.7942 7.7942 8.0256 8.0256 8.6526 8.6526 8.8793 8.8793 10.1086 10.1086 10.5609 10.5609 11.2408 11.2408 12.9390 12.9390 12.9968 12.9968 14.0507 14.0507 k = 0.1510 0.3447 1.0629 ( 3332 PWs) bands (ev): -73.2895 -73.2895 -42.1016 -42.1016 -37.6645 -37.6645 -37.5907 -37.5907 4.5157 4.5157 4.5543 4.5543 7.4276 7.4276 7.5571 7.5571 7.7853 7.7853 8.0083 8.0083 8.7044 8.7044 8.8553 8.8553 10.1018 10.1018 10.5820 10.5820 11.2417 11.2417 13.0322 13.0322 13.0849 13.0849 14.1277 14.1277 k = 0.1562 0.3320 1.0767 ( 3330 PWs) bands (ev): -73.2895 -73.2895 -42.1018 -42.1018 -37.6648 -37.6648 -37.5908 -37.5908 4.5363 4.5363 4.5742 4.5742 7.4068 7.4068 7.5221 7.5221 7.7774 7.7774 7.9916 7.9916 8.7389 8.7389 8.8519 8.8519 10.0958 10.0958 10.6066 10.6066 11.2413 11.2413 13.1271 13.1271 13.1736 13.1736 14.2023 14.2023 k = 0.1615 0.3192 1.0905 ( 3326 PWs) bands (ev): -73.2894 -73.2894 -42.1019 -42.1019 -37.6651 -37.6651 -37.5909 -37.5909 4.5557 4.5557 4.5926 4.5926 7.3862 7.3862 7.4880 7.4880 7.7708 7.7708 7.9754 7.9754 8.7391 8.7391 8.8857 8.8857 10.0907 10.0907 10.6344 10.6344 11.2398 11.2398 13.2222 13.2222 13.2639 13.2639 14.2744 14.2744 k = 0.1667 0.3064 1.1043 ( 3336 PWs) bands (ev): -73.2894 -73.2894 -42.1021 -42.1021 -37.6654 -37.6654 -37.5910 -37.5910 4.5738 4.5738 4.6096 4.6096 7.3659 7.3659 7.4550 7.4550 7.7653 7.7653 7.9599 7.9599 8.7202 8.7202 8.9407 8.9407 10.0865 10.0865 10.6651 10.6651 11.2369 11.2369 13.3147 13.3147 13.3577 13.3577 14.3439 14.3439 k = 0.1719 0.2936 1.1181 ( 3342 PWs) bands (ev): -73.2894 -73.2894 -42.1022 -42.1022 -37.6658 -37.6658 -37.5911 -37.5911 4.5906 4.5906 4.6251 4.6251 7.3463 7.3463 7.4232 7.4232 7.7609 7.7609 7.9452 7.9452 8.6965 8.6965 9.0020 9.0020 10.0832 10.0832 10.6982 10.6982 11.2328 11.2328 13.4021 13.4021 13.4569 13.4569 14.4108 14.4108 k = 0.1771 0.2808 1.1319 ( 3336 PWs) bands (ev): -73.2893 -73.2893 -42.1023 -42.1023 -37.6661 -37.6661 -37.5912 -37.5912 4.6061 4.6061 4.6391 4.6391 7.3273 7.3273 7.3929 7.3929 7.7576 7.7576 7.9316 7.9316 8.6722 8.6722 9.0651 9.0651 10.0809 10.0809 10.7333 10.7333 11.2274 11.2274 13.4841 13.4841 13.5609 13.5609 14.4751 14.4751 k = 0.1823 0.2680 1.1457 ( 3338 PWs) bands (ev): -73.2893 -73.2893 -42.1025 -42.1025 -37.6663 -37.6663 -37.5912 -37.5912 4.6204 4.6204 4.6517 4.6517 7.3091 7.3091 7.3641 7.3641 7.7552 7.7552 7.9190 7.9190 8.6485 8.6485 9.1281 9.1281 10.0797 10.0797 10.7699 10.7699 11.2207 11.2207 13.5612 13.5612 13.6681 13.6681 14.5368 14.5368 k = 0.1875 0.2553 1.1595 ( 3338 PWs) bands (ev): -73.2893 -73.2893 -42.1026 -42.1026 -37.6666 -37.6666 -37.5913 -37.5913 4.6334 4.6334 4.6628 4.6628 7.2917 7.2917 7.3372 7.3372 7.7535 7.7535 7.9076 7.9076 8.6258 8.6258 9.1900 9.1900 10.0795 10.0795 10.8074 10.8074 11.2128 11.2128 13.6336 13.6336 13.7773 13.7773 14.5961 14.5961 k = 0.1927 0.2425 1.1733 ( 3338 PWs) bands (ev): -73.2893 -73.2893 -42.1027 -42.1027 -37.6669 -37.6669 -37.5913 -37.5913 4.6453 4.6453 4.6727 4.6727 7.2752 7.2752 7.3120 7.3120 7.7523 7.7523 7.8973 7.8973 8.6045 8.6045 9.2499 9.2499 10.0804 10.0804 10.8452 10.8452 11.2038 11.2038 13.7007 13.7007 13.8877 13.8877 14.6532 14.6532 k = 0.1979 0.2297 1.1871 ( 3334 PWs) bands (ev): -73.2893 -73.2893 -42.1028 -42.1028 -37.6671 -37.6671 -37.5914 -37.5914 4.6560 4.6560 4.6812 4.6812 7.2597 7.2597 7.2890 7.2890 7.7515 7.7515 7.8883 7.8883 8.5847 8.5847 9.3072 9.3072 10.0825 10.0825 10.8828 10.8828 11.1939 11.1939 13.7623 13.7623 13.9983 13.9983 14.7082 14.7082 k = 0.2031 0.2169 1.2009 ( 3330 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6673 -37.6673 -37.5915 -37.5915 4.6656 4.6656 4.6885 4.6885 7.2451 7.2451 7.2682 7.2682 7.7509 7.7509 7.8805 7.8805 8.5666 8.5666 9.3610 9.3610 10.0858 10.0858 10.9194 10.9194 11.1832 11.1832 13.8177 13.8177 14.1079 14.1079 14.7495 14.7495 k = 0.2083 0.2041 1.2147 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1030 -42.1030 -37.6675 -37.6675 -37.5915 -37.5915 4.6742 4.6742 4.6947 4.6947 7.2315 7.2315 7.2499 7.2499 7.7504 7.7504 7.8740 7.8740 8.5501 8.5501 9.4107 9.4107 10.0901 10.0901 10.9545 10.9545 11.1720 11.1720 13.8668 13.8668 14.2149 14.2149 14.7552 14.7553 k = 0.2135 0.1913 1.2285 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1030 -42.1030 -37.6677 -37.6677 -37.5915 -37.5915 4.6818 4.6818 4.6998 4.6998 7.2186 7.2186 7.2342 7.2342 7.7498 7.7498 7.8687 7.8687 8.5355 8.5355 9.4557 9.4557 10.0955 10.0955 10.9872 10.9872 11.1606 11.1606 13.9091 13.9091 14.3167 14.3167 14.7647 14.7647 k = 0.2188 0.1786 1.2423 ( 3334 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6678 -37.6678 -37.5916 -37.5916 4.6884 4.6884 4.7039 4.7039 7.2065 7.2065 7.2213 7.2213 7.7493 7.7493 7.8645 7.8645 8.5226 8.5226 9.4954 9.4954 10.1016 10.1016 11.0171 11.0171 11.1494 11.1494 13.9449 13.9449 14.4090 14.4090 14.7827 14.7827 k = 0.2240 0.1658 1.2561 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6680 -37.6680 -37.5916 -37.5916 4.6941 4.6941 4.7071 4.7071 7.1955 7.1955 7.2110 7.2110 7.7486 7.7486 7.8613 7.8613 8.5117 8.5117 9.5294 9.5294 10.1082 10.1082 11.0434 11.0434 11.1389 11.1389 13.9741 13.9741 14.4856 14.4856 14.8147 14.8147 k = 0.2292 0.1530 1.2699 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.6990 4.6990 4.7094 4.7094 7.1860 7.1860 7.2030 7.2030 7.7480 7.7480 7.8590 7.8590 8.5026 8.5026 9.5574 9.5574 10.1148 10.1148 11.0654 11.0654 11.1298 11.1298 13.9971 13.9971 14.5407 14.5407 14.8658 14.8658 k = 0.2344 0.1402 1.2837 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6682 -37.6682 -37.5916 -37.5916 4.7030 4.7030 4.7108 4.7108 7.1784 7.1784 7.1969 7.1969 7.7474 7.7474 7.8574 7.8574 8.4956 8.4956 9.5792 9.5792 10.1208 10.1208 11.0822 11.0822 11.1228 11.1228 14.0145 14.0145 14.5746 14.5746 14.9341 14.9341 k = 0.2396 0.1274 1.2975 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7062 4.7062 4.7114 4.7114 7.1728 7.1728 7.1926 7.1926 7.7469 7.7469 7.8563 7.8563 8.4905 8.4905 9.5948 9.5948 10.1257 10.1257 11.0929 11.0929 11.1192 11.1192 14.0264 14.0264 14.5932 14.5932 15.0110 15.0110 k = 0.2448 0.1146 1.3113 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7086 4.7086 4.7113 4.7113 7.1695 7.1695 7.1900 7.1900 7.7466 7.7466 7.8557 7.8557 8.4875 8.4875 9.6041 9.6041 10.1288 10.1288 11.0972 11.0972 11.1190 11.1190 14.0335 14.0335 14.6022 14.6022 15.0809 15.0809 k = 0.2500 0.1019 1.3251 ( 3340 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7100 4.7100 4.7106 4.7106 7.1684 7.1684 7.1891 7.1891 7.7465 7.7465 7.8555 7.8555 8.4865 8.4865 9.6071 9.6071 10.1299 10.1299 11.0979 11.0979 11.1197 11.1197 14.0358 14.0358 14.6049 14.6049 15.1100 15.1101 k = 0.2500 0.1019 1.3251 ( 3340 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7100 4.7100 4.7106 4.7106 7.1684 7.1684 7.1891 7.1891 7.7465 7.7465 7.8555 7.8555 8.4865 8.4865 9.6071 9.6071 10.1299 10.1299 11.0979 11.0979 11.1197 11.1197 14.0358 14.0358 14.6049 14.6049 15.1100 15.1100 k = 0.2667 0.1087 1.3178 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7095 4.7095 4.7111 4.7111 7.1465 7.1465 7.2125 7.2125 7.7462 7.7462 7.8560 7.8560 8.4849 8.4849 9.6067 9.6067 10.1301 10.1301 11.0791 11.0791 11.1386 11.1386 14.0330 14.0330 14.6081 14.6081 15.0722 15.0722 k = 0.2833 0.1154 1.3105 ( 3337 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7085 4.7085 4.7118 4.7118 7.1187 7.1187 7.2449 7.2449 7.7455 7.7455 7.8574 7.8574 8.4802 8.4802 9.6053 9.6053 10.1307 10.1307 11.0517 11.0517 11.1660 11.1660 14.0249 14.0249 14.6174 14.6174 15.0162 15.0162 k = 0.3000 0.1222 1.3031 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7075 4.7075 4.7123 4.7123 7.0923 7.0923 7.2787 7.2787 7.7445 7.7445 7.8595 7.8595 8.4725 8.4725 9.6030 9.6030 10.1319 10.1319 11.0231 11.0231 11.1942 11.1942 14.0122 14.0122 14.6318 14.6318 14.9588 14.9588 k = 0.3167 0.1290 1.2958 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7065 4.7065 4.7126 4.7126 7.0678 7.0678 7.3133 7.3133 7.7431 7.7431 7.8624 7.8624 8.4620 8.4620 9.5998 9.5998 10.1335 10.1335 10.9938 10.9938 11.2223 11.2223 13.9960 13.9960 14.6500 14.6500 14.9030 14.9030 k = 0.3333 0.1358 1.2885 ( 3331 PWs) bands (ev): -73.2891 -73.2891 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7056 4.7056 4.7127 4.7127 7.0456 7.0456 7.3482 7.3482 7.7418 7.7418 7.8658 7.8658 8.4492 8.4492 9.5958 9.5958 10.1356 10.1356 10.9640 10.9640 11.2497 11.2497 13.9773 13.9773 14.6702 14.6702 14.8501 14.8501 k = 0.3500 0.1426 1.2811 ( 3334 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7046 4.7046 4.7126 4.7126 7.0257 7.0257 7.3829 7.3829 7.7404 7.7404 7.8697 7.8697 8.4344 8.4344 9.5909 9.5909 10.1380 10.1380 10.9339 10.9339 11.2760 11.2760 13.9572 13.9572 14.6910 14.6910 14.8006 14.8006 k = 0.3667 0.1494 1.2738 ( 3335 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6682 -37.6682 -37.5917 -37.5917 4.7037 4.7037 4.7124 4.7124 7.0083 7.0083 7.4169 7.4169 7.7391 7.7391 7.8738 7.8738 8.4183 8.4183 9.5854 9.5854 10.1407 10.1407 10.9035 10.9035 11.3007 11.3007 13.9365 13.9365 14.7107 14.7107 14.7550 14.7550 k = 0.3833 0.1562 1.2665 ( 3337 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6682 -37.6682 -37.5916 -37.5916 4.7027 4.7027 4.7120 4.7120 6.9934 6.9934 7.4495 7.4495 7.7382 7.7382 7.8781 7.8781 8.4016 8.4016 9.5792 9.5792 10.1434 10.1434 10.8731 10.8731 11.3235 11.3235 13.9159 13.9159 14.7131 14.7131 14.7284 14.7284 k = 0.4000 0.1630 1.2591 ( 3331 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.7016 4.7016 4.7115 4.7115 6.9812 6.9812 7.4801 7.4801 7.7376 7.7376 7.8824 7.8824 8.3852 8.3852 9.5723 9.5723 10.1460 10.1460 10.8429 10.8429 11.3441 11.3441 13.8961 13.8961 14.6759 14.6759 14.7422 14.7422 k = 0.4167 0.1698 1.2518 ( 3337 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.7005 4.7005 4.7110 4.7110 6.9717 6.9717 7.5080 7.5080 7.7374 7.7374 7.8863 7.8863 8.3700 8.3700 9.5647 9.5647 10.1484 10.1484 10.8130 10.8130 11.3622 11.3622 13.8773 13.8773 14.6426 14.6426 14.7520 14.7520 k = 0.4333 0.1766 1.2445 ( 3337 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6681 -37.6681 -37.5916 -37.5916 4.6992 4.6992 4.7105 4.7105 6.9649 6.9649 7.5323 7.5323 7.7377 7.7377 7.8899 7.8899 8.3569 8.3569 9.5565 9.5565 10.1505 10.1505 10.7838 10.7838 11.3774 11.3774 13.8598 13.8598 14.6132 14.6132 14.7571 14.7571 k = 0.4500 0.1833 1.2371 ( 3339 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6680 -37.6680 -37.5916 -37.5916 4.6976 4.6976 4.7100 4.7100 6.9609 6.9609 7.5525 7.5525 7.7384 7.7384 7.8928 7.8928 8.3471 8.3471 9.5476 9.5476 10.1520 10.1520 10.7554 10.7554 11.3898 11.3898 13.8438 13.8438 14.5873 14.5873 14.7572 14.7572 k = 0.4667 0.1901 1.2298 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1032 -42.1032 -37.6680 -37.6680 -37.5916 -37.5916 4.6957 4.6957 4.7096 4.7096 6.9596 6.9596 7.5679 7.5679 7.7394 7.7394 7.8948 7.8948 8.3413 8.3413 9.5381 9.5381 10.1530 10.1530 10.7283 10.7283 11.3992 11.3992 13.8294 13.8294 14.5645 14.5645 14.7522 14.7522 k = 0.4833 0.1969 1.2225 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6679 -37.6679 -37.5916 -37.5916 4.6935 4.6935 4.7093 4.7093 6.9611 6.9611 7.5781 7.5781 7.7407 7.7407 7.8959 7.8959 8.3401 8.3401 9.5280 9.5280 10.1533 10.1533 10.7027 10.7027 11.4057 11.4057 13.8167 13.8167 14.5442 14.5442 14.7423 14.7423 k = 0.5000 0.2037 1.2151 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6679 -37.6679 -37.5916 -37.5916 4.6909 4.6909 4.7092 4.7092 6.9654 6.9654 7.5828 7.5828 7.7421 7.7421 7.8961 7.8961 8.3440 8.3440 9.5173 9.5173 10.1528 10.1528 10.6789 10.6789 11.4092 11.4092 13.8056 13.8056 14.5258 14.5258 14.7277 14.7277 k = 0.5000 0.2037 1.2151 ( 3332 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6679 -37.6679 -37.5916 -37.5916 4.6909 4.6909 4.7092 4.7092 6.9654 6.9654 7.5828 7.5828 7.7421 7.7421 7.8961 7.8961 8.3440 8.3440 9.5173 9.5173 10.1528 10.1528 10.6789 10.6789 11.4092 11.4092 13.8056 13.8056 14.5258 14.5258 14.7277 14.7277 k = 0.5000 0.2037 1.1952 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1031 -42.1031 -37.6677 -37.6677 -37.5916 -37.5916 4.6821 4.6821 4.7095 4.7095 6.9819 6.9819 7.5886 7.5886 7.7459 7.7459 7.8959 7.8959 8.3625 8.3625 9.4852 9.4852 10.1500 10.1500 10.6133 10.6133 11.4151 11.4151 13.7744 13.7744 14.4747 14.4747 14.6795 14.6795 k = 0.5000 0.2037 1.1753 ( 3330 PWs) bands (ev): -73.2892 -73.2892 -42.1030 -42.1030 -37.6676 -37.6676 -37.5915 -37.5915 4.6710 4.6710 4.7102 4.7102 7.0010 7.0010 7.5954 7.5954 7.7505 7.7505 7.8963 7.8963 8.3838 8.3838 9.4489 9.4489 10.1461 10.1461 10.5405 10.5405 11.4214 11.4214 13.7370 13.7370 14.4185 14.4185 14.6273 14.6273 k = 0.5000 0.2037 1.1554 ( 3326 PWs) bands (ev): -73.2892 -73.2892 -42.1029 -42.1029 -37.6674 -37.6674 -37.5915 -37.5915 4.6579 4.6579 4.7113 4.7113 7.0224 7.0224 7.6029 7.6029 7.7560 7.7560 7.8975 7.8975 8.4076 8.4076 9.4089 9.4089 10.1402 10.1402 10.4628 10.4628 11.4278 11.4278 13.6932 13.6932 14.3578 14.3578 14.5721 14.5721 k = 0.5000 0.2037 1.1354 ( 3314 PWs) bands (ev): -73.2892 -73.2892 -42.1028 -42.1028 -37.6671 -37.6671 -37.5914 -37.5914 4.6428 4.6428 4.7125 4.7125 7.0462 7.0462 7.6112 7.6112 7.7622 7.7622 7.8998 7.8998 8.4340 8.4340 9.3655 9.3655 10.1300 10.1300 10.3834 10.3834 11.4340 11.4340 13.6431 13.6431 14.2934 14.2934 14.5144 14.5144 k = 0.5000 0.2037 1.1155 ( 3324 PWs) bands (ev): -73.2893 -73.2893 -42.1027 -42.1027 -37.6669 -37.6669 -37.5914 -37.5914 4.6255 4.6255 4.7137 4.7137 7.0720 7.0720 7.6201 7.6201 7.7693 7.7693 7.9033 7.9033 8.4629 8.4629 9.3191 9.3191 10.1098 10.1098 10.3090 10.3090 11.4399 11.4399 13.5868 13.5868 14.2257 14.2257 14.4551 14.4551 k = 0.5000 0.2037 1.0956 ( 3322 PWs) bands (ev): -73.2893 -73.2893 -42.1026 -42.1026 -37.6666 -37.6666 -37.5913 -37.5913 4.6059 4.6059 4.7150 4.7150 7.0998 7.0998 7.6298 7.6298 7.7772 7.7772 7.9081 7.9081 8.4941 8.4941 9.2703 9.2703 10.0684 10.0684 10.2519 10.2519 11.4453 11.4453 13.5249 13.5249 14.1553 14.1553 14.3947 14.3947 k = 0.5000 0.2037 1.0757 ( 3326 PWs) bands (ev): -73.2893 -73.2893 -42.1025 -42.1025 -37.6663 -37.6663 -37.5912 -37.5912 4.5841 4.5841 4.7163 4.7163 7.1293 7.1293 7.6401 7.6401 7.7860 7.7860 7.9143 7.9143 8.5277 8.5277 9.2194 9.2194 9.9990 9.9990 10.2201 10.2201 11.4502 11.4502 13.4578 13.4578 14.0825 14.0825 14.3338 14.3338 k = 0.5000 0.2037 1.0558 ( 3326 PWs) bands (ev): -73.2893 -73.2893 -42.1023 -42.1023 -37.6660 -37.6660 -37.5912 -37.5912 4.5600 4.5600 4.7175 4.7175 7.1603 7.1603 7.6512 7.6512 7.7956 7.7956 7.9222 7.9222 8.5636 8.5636 9.1670 9.1670 9.9098 9.9098 10.2058 10.2058 11.4543 11.4543 13.3860 13.3860 14.0077 14.0077 14.2728 14.2728 k = 0.5000 0.2037 1.0358 ( 3322 PWs) bands (ev): -73.2894 -73.2894 -42.1022 -42.1022 -37.6657 -37.6657 -37.5911 -37.5911 4.5335 4.5335 4.7186 4.7186 7.1927 7.1927 7.6629 7.6629 7.8061 7.8061 7.9316 7.9316 8.6018 8.6018 9.1133 9.1133 9.8108 9.8108 10.2003 10.2003 11.4576 11.4576 13.3101 13.3101 13.9312 13.9312 14.2120 14.2120 k = 0.5000 0.2037 1.0159 ( 3316 PWs) bands (ev): -73.2894 -73.2894 -42.1020 -42.1020 -37.6653 -37.6653 -37.5910 -37.5910 4.5045 4.5045 4.7195 4.7195 7.2261 7.2261 7.6755 7.6755 7.8173 7.8173 7.9427 7.9427 8.6422 8.6422 9.0586 9.0586 9.7068 9.7068 10.1995 10.1995 11.4601 11.4601 13.2308 13.2308 13.8533 13.8533 14.1520 14.1520 k = 0.5000 0.2037 0.9960 ( 3324 PWs) bands (ev): -73.2894 -73.2894 -42.1019 -42.1019 -37.6649 -37.6649 -37.5910 -37.5910 4.4731 4.4731 4.7203 4.7203 7.2604 7.2604 7.6888 7.6888 7.8291 7.8291 7.9552 7.9552 8.6847 8.6847 9.0033 9.0033 9.6003 9.6003 10.2017 10.2017 11.4618 11.4618 13.1487 13.1487 13.7743 13.7743 14.0931 14.0931 k = 0.5000 0.2037 0.9761 ( 3324 PWs) bands (ev): -73.2895 -73.2895 -42.1017 -42.1017 -37.6645 -37.6645 -37.5909 -37.5909 4.4392 4.4392 4.7207 4.7207 7.2951 7.2951 7.7029 7.7029 7.8416 7.8416 7.9693 7.9693 8.7292 8.7292 8.9480 8.9480 9.4926 9.4926 10.2063 10.2063 11.4625 11.4625 13.0646 13.0646 13.6945 13.6945 14.0354 14.0354 k = 0.5000 0.2037 0.9562 ( 3324 PWs) bands (ev): -73.2895 -73.2895 -42.1015 -42.1015 -37.6641 -37.6641 -37.5908 -37.5908 4.4028 4.4028 4.7208 4.7208 7.3300 7.3300 7.7179 7.7179 7.8545 7.8545 7.9848 7.9848 8.7751 8.7751 8.8936 8.8936 9.3847 9.3847 10.2130 10.2130 11.4625 11.4625 12.9791 12.9791 13.6140 13.6140 13.9794 13.9794 k = 0.5000 0.2037 0.9362 ( 3334 PWs) bands (ev): -73.2895 -73.2895 -42.1013 -42.1013 -37.6637 -37.6637 -37.5907 -37.5907 4.3641 4.3641 4.7206 4.7206 7.3648 7.3648 7.7335 7.7335 7.8678 7.8678 8.0014 8.0014 8.8122 8.8122 8.8502 8.8502 9.2776 9.2776 10.2218 10.2218 11.4615 11.4615 12.8929 12.8929 13.5330 13.5330 13.9254 13.9254 k = 0.5000 0.2037 0.9163 ( 3340 PWs) bands (ev): -73.2896 -73.2896 -42.1012 -42.1012 -37.6633 -37.6633 -37.5906 -37.5906 4.3231 4.3231 4.7199 4.7199 7.3991 7.3991 7.7498 7.7498 7.8813 7.8813 8.0190 8.0190 8.7763 8.7763 8.8823 8.8823 9.1722 9.1722 10.2328 10.2328 11.4598 11.4598 12.8066 12.8066 13.4517 13.4517 13.8734 13.8734 k = 0.5000 0.2037 0.8964 ( 3336 PWs) bands (ev): -73.2896 -73.2896 -42.1010 -42.1010 -37.6628 -37.6628 -37.5905 -37.5905 4.2798 4.2798 4.7188 4.7188 7.4327 7.4327 7.7667 7.7667 7.8950 7.8950 8.0374 8.0374 8.7233 8.7233 8.9327 8.9327 9.0706 9.0706 10.2461 10.2461 11.4574 11.4574 12.7209 12.7209 13.3703 13.3703 13.8238 13.8238 k = 0.5000 0.2037 0.8765 ( 3344 PWs) bands (ev): -73.2897 -73.2897 -42.1008 -42.1008 -37.6623 -37.6623 -37.5904 -37.5904 4.2343 4.2343 4.7171 4.7171 7.4650 7.4650 7.7838 7.7838 7.9086 7.9086 8.0561 8.0561 8.6697 8.6697 8.9521 8.9521 9.0069 9.0069 10.2616 10.2616 11.4543 11.4543 12.6364 12.6364 13.2888 13.2888 13.7768 13.7768 k = 0.5000 0.2037 0.8566 ( 3348 PWs) bands (ev): -73.2897 -73.2897 -42.1006 -42.1006 -37.6619 -37.6619 -37.5903 -37.5903 4.1868 4.1868 4.7149 4.7149 7.4958 7.4958 7.8008 7.8008 7.9221 7.9221 8.0747 8.0747 8.6163 8.6163 8.8667 8.8667 9.0553 9.0553 10.2795 10.2795 11.4505 11.4505 12.5537 12.5537 13.2076 13.2076 13.7324 13.7324 k = 0.5000 0.2037 0.8366 ( 3336 PWs) bands (ev): -73.2898 -73.2898 -42.1003 -42.1003 -37.6614 -37.6614 -37.5902 -37.5902 4.1375 4.1375 4.7120 4.7120 7.5247 7.5247 7.8171 7.8171 7.9355 7.9355 8.0924 8.0924 8.5632 8.5632 8.7783 8.7783 9.1155 9.1155 10.2998 10.2998 11.4462 11.4462 12.4734 12.4734 13.1266 13.1266 13.6910 13.6910 k = 0.5000 0.2037 0.8167 ( 3330 PWs) bands (ev): -73.2898 -73.2898 -42.1001 -42.1001 -37.6608 -37.6608 -37.5901 -37.5901 4.0863 4.0863 4.7085 4.7085 7.5515 7.5515 7.8313 7.8313 7.9488 7.9488 8.1082 8.1082 8.5103 8.5103 8.6974 8.6974 9.1793 9.1793 10.3225 10.3225 11.4414 11.4414 12.3960 12.3960 13.0460 13.0460 13.6525 13.6525 k = 0.5000 0.2037 0.7968 ( 3330 PWs) bands (ev): -73.2898 -73.2898 -42.0999 -42.0999 -37.6603 -37.6603 -37.5900 -37.5900 4.0336 4.0336 4.7042 4.7042 7.5757 7.5757 7.8418 7.8418 7.9624 7.9624 8.1202 8.1202 8.4586 8.4586 8.6272 8.6272 9.2460 9.2460 10.3474 10.3474 11.4361 11.4361 12.3222 12.3222 12.9659 12.9659 13.6171 13.6171 k = 0.5000 0.2037 0.7769 ( 3326 PWs) bands (ev): -73.2899 -73.2899 -42.0997 -42.0997 -37.6598 -37.6598 -37.5899 -37.5899 3.9795 3.9795 4.6993 4.6993 7.5971 7.5971 7.8462 7.8462 7.9767 7.9767 8.1258 8.1258 8.4111 8.4111 8.5691 8.5691 9.3155 9.3155 10.3744 10.3744 11.4305 11.4305 12.2525 12.2525 12.8863 12.8863 13.5848 13.5848 k = 0.5000 0.2037 0.7570 ( 3310 PWs) bands (ev): -73.2899 -73.2899 -42.0994 -42.0994 -37.6593 -37.6593 -37.5897 -37.5897 3.9242 3.9242 4.6935 4.6935 7.6154 7.6154 7.8412 7.8412 7.9925 7.9925 8.1220 8.1220 8.3733 8.3733 8.5238 8.5238 9.3879 9.3879 10.4032 10.4032 11.4245 11.4245 12.1874 12.1874 12.8074 12.8074 13.5558 13.5558 k = 0.5000 0.2037 0.7370 ( 3318 PWs) bands (ev): -73.2900 -73.2900 -42.0992 -42.0992 -37.6587 -37.6587 -37.5896 -37.5896 3.8678 3.8678 4.6869 4.6869 7.6301 7.6301 7.8236 7.8236 8.0098 8.0098 8.1077 8.1077 8.3491 8.3491 8.4906 8.4906 9.4632 9.4632 10.4334 10.4334 11.4182 11.4182 12.1274 12.1274 12.7293 12.7293 13.5299 13.5299 k = 0.5000 0.2037 0.7171 ( 3318 PWs) bands (ev): -73.2900 -73.2900 -42.0990 -42.0990 -37.6582 -37.6582 -37.5895 -37.5895 3.8105 3.8105 4.6795 4.6795 7.6408 7.6408 7.7920 7.7920 8.0286 8.0286 8.0868 8.0868 8.3376 8.3376 8.4695 8.4695 9.5414 9.5414 10.4644 10.4644 11.4117 11.4117 12.0731 12.0731 12.6519 12.6519 13.5072 13.5072 k = 0.5000 0.2037 0.6972 ( 3312 PWs) bands (ev): -73.2901 -73.2901 -42.0988 -42.0988 -37.6576 -37.6576 -37.5894 -37.5894 3.7525 3.7525 4.6713 4.6713 7.6456 7.6456 7.7483 7.7483 8.0482 8.0482 8.0646 8.0646 8.3337 8.3337 8.4601 8.4601 9.6227 9.6227 10.4957 10.4957 11.4050 11.4050 12.0251 12.0251 12.5754 12.5754 13.4877 13.4877 k = 0.5000 0.2037 0.6773 ( 3312 PWs) bands (ev): -73.2901 -73.2901 -42.0985 -42.0985 -37.6571 -37.6571 -37.5893 -37.5893 3.6941 3.6941 4.6623 4.6623 7.6371 7.6371 7.7028 7.7028 8.0433 8.0433 8.0683 8.0683 8.3335 8.3335 8.4613 8.4613 9.7070 9.7070 10.5265 10.5265 11.3982 11.3982 11.9835 11.9835 12.4998 12.4998 13.4712 13.4712 k = 0.5000 0.2037 0.6574 ( 3314 PWs) bands (ev): -73.2901 -73.2901 -42.0983 -42.0983 -37.6565 -37.6565 -37.5892 -37.5892 3.6353 3.6353 4.6525 4.6525 7.5960 7.5960 7.6785 7.6785 8.0234 8.0234 8.0881 8.0881 8.3361 8.3361 8.4707 8.4707 9.7945 9.7945 10.5562 10.5562 11.3912 11.3912 11.9489 11.9489 12.4252 12.4252 13.4576 13.4576 k = 0.5000 0.2037 0.6374 ( 3314 PWs) bands (ev): -73.2902 -73.2902 -42.0981 -42.0981 -37.6560 -37.6560 -37.5891 -37.5891 3.5763 3.5763 4.6418 4.6418 7.5316 7.5316 7.6692 7.6692 8.0043 8.0043 8.1074 8.1074 8.3418 8.3418 8.4857 8.4857 9.8850 9.8850 10.5840 10.5840 11.3842 11.3842 11.9213 11.9213 12.3516 12.3516 13.4469 13.4469 k = 0.5000 0.2037 0.6175 ( 3318 PWs) bands (ev): -73.2903 -73.2903 -42.0978 -42.0978 -37.6554 -37.6554 -37.5889 -37.5889 3.5174 3.5174 4.6304 4.6304 7.4603 7.4603 7.6608 7.6608 7.9855 7.9855 8.1262 8.1262 8.3507 8.3507 8.5042 8.5042 9.9788 9.9788 10.6091 10.6091 11.3772 11.3772 11.9006 11.9006 12.2791 12.2791 13.4388 13.4388 k = 0.5000 0.2037 0.5976 ( 3324 PWs) bands (ev): -73.2903 -73.2903 -42.0976 -42.0976 -37.6549 -37.6549 -37.5888 -37.5888 3.4587 3.4587 4.6183 4.6183 7.3868 7.3868 7.6501 7.6501 7.9671 7.9671 8.1444 8.1444 8.3627 8.3627 8.5249 8.5249 10.0757 10.0757 10.6311 10.6311 11.3702 11.3702 11.8865 11.8865 12.2078 12.2078 13.4332 13.4332 k = 0.5000 0.2037 0.5777 ( 3324 PWs) bands (ev): -73.2904 -73.2904 -42.0974 -42.0974 -37.6543 -37.6543 -37.5887 -37.5887 3.4003 3.4003 4.6054 4.6054 7.3130 7.3130 7.6365 7.6365 7.9494 7.9494 8.1623 8.1623 8.3774 8.3774 8.5468 8.5468 10.1757 10.1757 10.6495 10.6495 11.3632 11.3632 11.8783 11.8783 12.1376 12.1376 13.4296 13.4296 k = 0.5000 0.2037 0.5578 ( 3326 PWs) bands (ev): -73.2904 -73.2904 -42.0971 -42.0971 -37.6538 -37.6538 -37.5886 -37.5886 3.3425 3.3425 4.5920 4.5920 7.2398 7.2398 7.6199 7.6199 7.9325 7.9325 8.1800 8.1800 8.3940 8.3940 8.5695 8.5695 10.2789 10.2789 10.6644 10.6644 11.3562 11.3562 11.8749 11.8749 12.0687 12.0687 13.4280 13.4280 k = 0.5000 0.2037 0.5378 ( 3320 PWs) bands (ev): -73.2904 -73.2904 -42.0969 -42.0969 -37.6533 -37.6533 -37.5885 -37.5885 3.2853 3.2853 4.5779 4.5779 7.1678 7.1678 7.6005 7.6005 7.9165 7.9165 8.1976 8.1976 8.4120 8.4120 8.5927 8.5927 10.3851 10.3851 10.6757 10.6757 11.3493 11.3493 11.8749 11.8749 12.0011 12.0011 13.4280 13.4280 k = 0.5000 0.2037 0.5179 ( 3316 PWs) bands (ev): -73.2905 -73.2905 -42.0967 -42.0967 -37.6527 -37.6527 -37.5884 -37.5884 3.2290 3.2290 4.5634 4.5634 7.0974 7.0974 7.5784 7.5784 7.9018 7.9018 8.2152 8.2152 8.4307 8.4307 8.6160 8.6160 10.4944 10.4944 10.6838 10.6838 11.3424 11.3424 11.8766 11.8766 11.9349 11.9349 13.4291 13.4291 k = 0.5000 0.2037 0.4980 ( 3320 PWs) bands (ev): -73.2905 -73.2905 -42.0965 -42.0965 -37.6522 -37.6522 -37.5883 -37.5883 3.1737 3.1737 4.5483 4.5483 7.0288 7.0288 7.5541 7.5541 7.8882 7.8882 8.2330 8.2330 8.4497 8.4497 8.6395 8.6395 10.6065 10.6065 10.6892 10.6892 11.3357 11.3357 11.8694 11.8694 11.8789 11.8789 13.4312 13.4312 k = 0.5000 0.2037 0.4781 ( 3320 PWs) bands (ev): -73.2906 -73.2906 -42.0963 -42.0963 -37.6517 -37.6517 -37.5882 -37.5882 3.1195 3.1195 4.5330 4.5330 6.9623 6.9623 7.5279 7.5279 7.8760 7.8760 8.2509 8.2509 8.4685 8.4685 8.6632 8.6632 10.6912 10.6912 10.7224 10.7224 11.3290 11.3290 11.8064 11.8064 11.8786 11.8786 13.4337 13.4337 k = 0.5000 0.2037 0.4582 ( 3324 PWs) bands (ev): -73.2906 -73.2906 -42.0961 -42.0961 -37.6512 -37.6512 -37.5881 -37.5881 3.0665 3.0665 4.5174 4.5174 6.8980 6.8980 7.5001 7.5001 7.8651 7.8651 8.2690 8.2690 8.4869 8.4869 8.6869 8.6869 10.6928 10.6928 10.8397 10.8397 11.3225 11.3225 11.7446 11.7446 11.8755 11.8755 13.4363 13.4363 k = 0.5000 0.2037 0.4382 ( 3332 PWs) bands (ev): -73.2907 -73.2907 -42.0959 -42.0959 -37.6507 -37.6507 -37.5880 -37.5880 3.0149 3.0149 4.5015 4.5015 6.8360 6.8360 7.4711 7.4711 7.8555 7.8555 8.2872 8.2872 8.5047 8.5047 8.7106 8.7106 10.6925 10.6925 10.9601 10.9601 11.3160 11.3160 11.6843 11.6843 11.8681 11.8681 13.4386 13.4386 k = 0.5000 0.2037 0.4183 ( 3332 PWs) bands (ev): -73.2907 -73.2907 -42.0957 -42.0957 -37.6503 -37.6503 -37.5879 -37.5879 2.9647 2.9647 4.4856 4.4856 6.7765 6.7765 7.4412 7.4412 7.8471 7.8471 8.3054 8.3054 8.5216 8.5216 8.7346 8.7346 10.6914 10.6914 11.0829 11.0829 11.3097 11.3097 11.6258 11.6258 11.8557 11.8557 13.4403 13.4403 k = 0.5000 0.2037 0.3984 ( 3330 PWs) bands (ev): -73.2908 -73.2908 -42.0955 -42.0955 -37.6498 -37.6498 -37.5878 -37.5878 2.9162 2.9162 4.4697 4.4697 6.7194 6.7194 7.4108 7.4108 7.8400 7.8400 8.3236 8.3236 8.5377 8.5377 8.7586 8.7586 10.6897 10.6897 11.2080 11.2080 11.3035 11.3035 11.5691 11.5691 11.8379 11.8379 13.4411 13.4411 k = 0.5000 0.2037 0.3785 ( 3330 PWs) bands (ev): -73.2908 -73.2908 -42.0953 -42.0953 -37.6494 -37.6494 -37.5877 -37.5877 2.8694 2.8694 4.4539 4.4539 6.6649 6.6649 7.3802 7.3802 7.8340 7.8340 8.3417 8.3417 8.5528 8.5528 8.7826 8.7826 10.6878 10.6878 11.2972 11.2972 11.3349 11.3349 11.5149 11.5149 11.8147 11.8147 13.4408 13.4408 k = 0.5000 0.2037 0.3586 ( 3336 PWs) bands (ev): -73.2908 -73.2908 -42.0951 -42.0951 -37.6489 -37.6489 -37.5876 -37.5876 2.8244 2.8244 4.4382 4.4382 6.6130 6.6130 7.3496 7.3496 7.8290 7.8290 8.3595 8.3595 8.5669 8.5669 8.8066 8.8066 10.6859 10.6859 11.2912 11.2912 11.4446 11.4446 11.4815 11.4815 11.7866 11.7866 13.4391 13.4391 k = 0.5000 0.2037 0.3386 ( 3328 PWs) bands (ev): -73.2909 -73.2909 -42.0949 -42.0949 -37.6485 -37.6485 -37.5875 -37.5875 2.7813 2.7813 4.4228 4.4228 6.5638 6.5638 7.3194 7.3194 7.8251 7.8251 8.3769 8.3769 8.5802 8.5802 8.8306 8.8306 10.6841 10.6841 11.2851 11.2851 11.4071 11.4071 11.5994 11.5994 11.7543 11.7543 13.4361 13.4361 k = 0.5000 0.2037 0.3187 ( 3332 PWs) bands (ev): -73.2909 -73.2909 -42.0948 -42.0948 -37.6481 -37.6481 -37.5874 -37.5874 2.7402 2.7402 4.4078 4.4078 6.5172 6.5172 7.2897 7.2897 7.8220 7.8220 8.3938 8.3938 8.5925 8.5925 8.8543 8.8543 10.6827 10.6827 11.2785 11.2785 11.3596 11.3596 11.7175 11.7175 11.7325 11.7325 13.4318 13.4318 k = 0.5000 0.2037 0.2988 ( 3336 PWs) bands (ev): -73.2909 -73.2909 -42.0946 -42.0946 -37.6478 -37.6478 -37.5874 -37.5874 2.7012 2.7012 4.3932 4.3932 6.4733 6.4733 7.2608 7.2608 7.8196 7.8196 8.4102 8.4102 8.6041 8.6041 8.8777 8.8777 10.6817 10.6817 11.2699 11.2699 11.3158 11.3158 11.6796 11.6796 11.8659 11.8659 13.4263 13.4263 k = 0.5000 0.2037 0.2789 ( 3336 PWs) bands (ev): -73.2910 -73.2910 -42.0945 -42.0945 -37.6474 -37.6474 -37.5873 -37.5873 2.6643 2.6643 4.3792 4.3792 6.4321 6.4321 7.2329 7.2329 7.8180 7.8180 8.4258 8.4258 8.6151 8.6151 8.9007 8.9007 10.6811 10.6811 11.2510 11.2510 11.2845 11.2845 11.6392 11.6392 12.0011 12.0011 13.4199 13.4199 k = 0.5000 0.2037 0.2590 ( 3332 PWs) bands (ev): -73.2910 -73.2910 -42.0943 -42.0943 -37.6471 -37.6471 -37.5872 -37.5872 2.6297 2.6297 4.3657 4.3657 6.3938 6.3938 7.2062 7.2062 7.8171 7.8171 8.4406 8.4406 8.6255 8.6255 8.9232 8.9232 10.6811 10.6811 11.2159 11.2159 11.2719 11.2719 11.5977 11.5977 12.1369 12.1369 13.4128 13.4128 k = 0.5000 0.2037 0.2390 ( 3344 PWs) bands (ev): -73.2910 -73.2910 -42.0942 -42.0942 -37.6468 -37.6468 -37.5872 -37.5872 2.5974 2.5974 4.3529 4.3529 6.3581 6.3581 7.1809 7.1809 7.8165 7.8165 8.4543 8.4543 8.6352 8.6352 8.9449 8.9449 10.6815 10.6815 11.1776 11.1776 11.2650 11.2650 11.5561 11.5561 12.2729 12.2729 13.4055 13.4055 k = 0.5000 0.2037 0.2191 ( 3344 PWs) bands (ev): -73.2911 -73.2911 -42.0941 -42.0941 -37.6465 -37.6465 -37.5871 -37.5871 2.5674 2.5674 4.3409 4.3409 6.3253 6.3253 7.1571 7.1571 7.8164 7.8164 8.4671 8.4671 8.6446 8.6446 8.9658 8.9658 10.6824 10.6824 11.1406 11.1406 11.2594 11.2594 11.5151 11.5151 12.4082 12.4082 13.3986 13.3986 k = 0.5000 0.2037 0.1992 ( 3340 PWs) bands (ev): -73.2911 -73.2911 -42.0940 -42.0940 -37.6462 -37.6462 -37.5870 -37.5870 2.5399 2.5399 4.3297 4.3297 6.2953 6.2953 7.1349 7.1349 7.8166 7.8166 8.4787 8.4787 8.6535 8.6535 8.9858 8.9858 10.6839 10.6839 11.1058 11.1058 11.2543 11.2543 11.4754 11.4754 12.5420 12.5420 13.3927 13.3927 k = 0.5000 0.2037 0.1793 ( 3340 PWs) bands (ev): -73.2911 -73.2911 -42.0939 -42.0939 -37.6460 -37.6460 -37.5870 -37.5870 2.5148 2.5148 4.3194 4.3194 6.2681 6.2681 7.1145 7.1145 7.8170 7.8170 8.4892 8.4892 8.6619 8.6619 9.0045 9.0045 10.6857 10.6857 11.0737 11.0737 11.2493 11.2493 11.4377 11.4377 12.6728 12.6728 13.3889 13.3889 k = 0.5000 0.2037 0.1594 ( 3342 PWs) bands (ev): -73.2911 -73.2911 -42.0938 -42.0938 -37.6458 -37.6458 -37.5870 -37.5870 2.4922 2.4922 4.3100 4.3100 6.2437 6.2437 7.0960 7.0960 7.8176 7.8176 8.4984 8.4984 8.6698 8.6698 9.0219 9.0219 10.6879 10.6879 11.0444 11.0444 11.2442 11.2442 11.4028 11.4028 12.7985 12.7985 13.3887 13.3887 k = 0.5000 0.2037 0.1394 ( 3346 PWs) bands (ev): -73.2911 -73.2911 -42.0937 -42.0937 -37.6456 -37.6456 -37.5869 -37.5869 2.4722 2.4722 4.3016 4.3016 6.2222 6.2222 7.0794 7.0794 7.8183 7.8183 8.5064 8.5064 8.6771 8.6771 9.0377 9.0377 10.6903 10.6903 11.0181 11.0181 11.2387 11.2387 11.3714 11.3714 12.9156 12.9156 13.3946 13.3946 k = 0.5000 0.2037 0.1195 ( 3342 PWs) bands (ev): -73.2911 -73.2911 -42.0936 -42.0936 -37.6454 -37.6454 -37.5869 -37.5869 2.4548 2.4548 4.2942 4.2942 6.2035 6.2035 7.0649 7.0649 7.8190 7.8190 8.5132 8.5132 8.6838 8.6838 9.0519 9.0519 10.6930 10.6930 10.9949 10.9949 11.2327 11.2327 11.3442 11.3442 13.0186 13.0186 13.4108 13.4108 k = 0.5000 0.2037 0.0996 ( 3340 PWs) bands (ev): -73.2912 -73.2912 -42.0936 -42.0936 -37.6452 -37.6452 -37.5868 -37.5868 2.4400 2.4400 4.2879 4.2879 6.1877 6.1877 7.0525 7.0525 7.8198 7.8198 8.5190 8.5190 8.6898 8.6898 9.0641 9.0641 10.6956 10.6956 10.9750 10.9750 11.2258 11.2258 11.3220 11.3220 13.1000 13.1000 13.4427 13.4427 k = 0.5000 0.2037 0.0797 ( 3336 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6451 -37.6451 -37.5868 -37.5868 2.4279 2.4279 4.2827 4.2827 6.1748 6.1748 7.0423 7.0423 7.8205 7.8205 8.5235 8.5235 8.6948 8.6948 9.0744 9.0744 10.6982 10.6982 10.9585 10.9585 11.2183 11.2183 11.3050 11.3050 13.1548 13.1548 13.4922 13.4922 k = 0.5000 0.2037 0.0598 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.4184 2.4184 4.2787 4.2787 6.1647 6.1647 7.0343 7.0343 7.8211 7.8211 8.5270 8.5270 8.6988 8.6988 9.0827 9.0827 10.7004 10.7004 10.9455 10.9455 11.2108 11.2108 11.2930 11.2930 13.1864 13.1864 13.5517 13.5517 k = 0.5000 0.2037 0.0398 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0935 -42.0935 -37.6450 -37.6450 -37.5868 -37.5868 2.4116 2.4116 4.2757 4.2757 6.1575 6.1575 7.0286 7.0286 7.8215 7.8215 8.5295 8.5295 8.7017 8.7017 9.0886 9.0886 10.7021 10.7021 10.9361 10.9361 11.2042 11.2042 11.2854 11.2854 13.2028 13.2028 13.6076 13.6076 k = 0.5000 0.2037 0.0199 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4076 2.4076 4.2740 4.2740 6.1532 6.1532 7.0251 7.0251 7.8218 7.8218 8.5310 8.5310 8.7035 8.7035 9.0922 9.0922 10.7032 10.7032 10.9305 10.9305 11.1998 11.1998 11.2812 11.2812 13.2105 13.2105 13.6470 13.6470 k = 0.5000 0.2037-0.0000 ( 3330 PWs) bands (ev): -73.2912 -73.2912 -42.0934 -42.0934 -37.6449 -37.6449 -37.5868 -37.5868 2.4062 2.4062 4.2734 4.2734 6.1518 6.1518 7.0240 7.0240 7.8219 7.8219 8.5315 8.5315 8.7041 8.7041 9.0934 9.0934 10.7036 10.7036 10.9286 10.9286 11.1982 11.1982 11.2798 11.2798 13.2128 13.2128 13.6612 13.6612 k = 0.0000 0.0000 1.3251 ( 3346 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7016 4.7016 4.7191 4.7191 6.9229 6.9229 7.5670 7.5670 7.7331 7.7331 7.8990 7.8990 8.2952 8.2952 9.6030 9.6030 10.1591 10.1591 10.8590 10.8590 11.3917 11.3917 13.8783 13.8783 14.6723 14.6723 14.8690 14.8690 k = 0.0179 0.0073 1.3251 ( 3346 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7016 4.7016 4.7191 4.7191 6.9243 6.9243 7.5637 7.5637 7.7331 7.7331 7.8981 7.8981 8.2983 8.2983 9.6031 9.6031 10.1587 10.1587 10.8605 10.8605 11.3897 11.3897 13.8798 13.8798 14.6752 14.6752 14.8661 14.8661 k = 0.0357 0.0146 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7018 4.7018 4.7189 4.7189 6.9285 6.9285 7.5539 7.5539 7.7331 7.7331 7.8959 7.8959 8.3073 8.3073 9.6033 9.6033 10.1577 10.1577 10.8650 10.8650 11.3840 11.3840 13.8843 13.8843 14.6840 14.6840 14.8576 14.8576 k = 0.0536 0.0218 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7020 4.7020 4.7187 4.7187 6.9355 6.9355 7.5380 7.5380 7.7332 7.7332 7.8924 7.8924 8.3213 8.3213 9.6035 9.6035 10.1560 10.1560 10.8724 10.8724 11.3745 11.3745 13.8916 13.8916 14.6984 14.6984 14.8437 14.8437 k = 0.0714 0.0291 1.3251 ( 3334 PWs) bands (ev): -73.2891 -73.2891 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7024 4.7024 4.7183 4.7183 6.9452 6.9452 7.5165 7.5165 7.7337 7.7337 7.8882 7.8882 8.3390 8.3390 9.6038 9.6038 10.1538 10.1538 10.8827 10.8827 11.3616 11.3616 13.9016 13.9016 14.7183 14.7183 14.8250 14.8250 k = 0.0893 0.0364 1.3251 ( 3332 PWs) bands (ev): -73.2891 -73.2891 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7029 4.7029 4.7178 4.7178 6.9577 6.9577 7.4904 7.4904 7.7345 7.7345 7.8837 7.8837 8.3591 8.3591 9.6042 9.6042 10.1511 10.1511 10.8957 10.8957 11.3454 11.3454 13.9141 13.9141 14.7434 14.7434 14.8021 14.8021 k = 0.1071 0.0437 1.3251 ( 3342 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7034 4.7034 4.7173 4.7173 6.9728 6.9728 7.4605 7.4605 7.7356 7.7356 7.8790 7.8790 8.3803 8.3803 9.6046 9.6046 10.1481 10.1481 10.9114 10.9114 11.3262 11.3262 13.9287 13.9287 14.7727 14.7727 14.7766 14.7766 k = 0.1250 0.0509 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7041 4.7041 4.7166 4.7166 6.9905 6.9905 7.4278 7.4278 7.7372 7.7372 7.8744 7.8744 8.4015 8.4015 9.6050 9.6050 10.1449 10.1449 10.9295 10.9295 11.3043 11.3043 13.9450 13.9450 14.7478 14.7478 14.8076 14.8076 k = 0.1429 0.0582 1.3251 ( 3336 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7048 4.7048 4.7159 4.7159 7.0107 7.0107 7.3932 7.3932 7.7389 7.7389 7.8701 7.8701 8.4217 8.4217 9.6055 9.6055 10.1417 10.1417 10.9500 10.9500 11.2802 11.2802 13.9624 13.9624 14.7186 14.7186 14.8458 14.8458 k = 0.1607 0.0655 1.3251 ( 3340 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7056 4.7056 4.7151 4.7151 7.0334 7.0334 7.3573 7.3573 7.7407 7.7407 7.8660 7.8660 8.4402 8.4402 9.6059 9.6059 10.1386 10.1386 10.9725 10.9725 11.2542 11.2542 13.9801 13.9801 14.6897 14.6897 14.8874 14.8874 k = 0.1786 0.0728 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7064 4.7064 4.7143 4.7143 7.0583 7.0583 7.3210 7.3210 7.7426 7.7426 7.8625 7.8625 8.4561 8.4561 9.6064 9.6064 10.1357 10.1357 10.9969 10.9969 11.2268 11.2268 13.9973 13.9973 14.6627 14.6627 14.9318 14.9318 k = 0.1964 0.0800 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7073 4.7073 4.7134 4.7134 7.0854 7.0854 7.2846 7.2846 7.7442 7.7442 7.8595 7.8595 8.4691 8.4691 9.6067 9.6067 10.1333 10.1333 11.0228 11.0228 11.1983 11.1983 14.0127 14.0127 14.6392 14.6392 14.9785 14.9785 k = 0.2143 0.0873 1.3251 ( 3338 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7082 4.7082 4.7125 4.7125 7.1143 7.1143 7.2488 7.2488 7.7455 7.7455 7.8573 7.8573 8.4786 8.4786 9.6070 9.6070 10.1315 10.1315 11.0499 11.0499 11.1693 11.1693 14.0250 14.0250 14.6208 14.6208 15.0267 15.0267 k = 0.2321 0.0946 1.3251 ( 3332 PWs) bands (ev): -73.2891 -73.2891 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7091 4.7091 4.7115 4.7115 7.1446 7.1446 7.2143 7.2143 7.7463 7.7463 7.8560 7.8560 8.4845 8.4845 9.6072 9.6072 10.1303 10.1303 11.0775 11.0775 11.1405 11.1405 14.0330 14.0330 14.6090 14.6090 15.0749 15.0749 k = 0.2500 0.1019 1.3251 ( 3340 PWs) bands (ev): -73.2892 -73.2892 -42.1033 -42.1033 -37.6683 -37.6683 -37.5917 -37.5917 4.7100 4.7100 4.7106 4.7106 7.1684 7.1684 7.1891 7.1891 7.7465 7.7465 7.8555 7.8555 8.4865 8.4865 9.6071 9.6071 10.1299 10.1299 11.0979 11.0979 11.1197 11.1197 14.0358 14.0358 14.6049 14.6049 15.1100 15.1100 Writing output data file Zr2H2Pd.save init_run : 0.32s CPU 0.65s WALL ( 1 calls) electrons : 186.30s CPU 188.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 186.29s CPU 188.76s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 404 calls) cegterg : 165.20s CPU 167.03s WALL ( 516 calls) Called by sum_band: Called by *egterg: h_psi : 134.79s CPU 136.68s WALL ( 8700 calls) s_psi : 1.34s CPU 1.40s WALL ( 8700 calls) g_psi : 0.14s CPU 0.17s WALL ( 7780 calls) cdiaghg : 38.95s CPU 38.90s WALL ( 8184 calls) cegterg:over : 3.42s CPU 3.48s WALL ( 7780 calls) cegterg:upda : 2.98s CPU 2.97s WALL ( 7780 calls) cegterg:last : 1.46s CPU 1.56s WALL ( 1476 calls) cdiaghg:chol : 2.24s CPU 2.17s WALL ( 8184 calls) cdiaghg:inve : 1.03s CPU 1.17s WALL ( 8184 calls) cdiaghg:para : 2.12s CPU 2.18s WALL ( 16368 calls) Called by h_psi: h_psi:vloc : 130.34s CPU 132.16s WALL ( 8700 calls) h_psi:vnl : 4.30s CPU 4.37s WALL ( 8700 calls) add_vuspsi : 2.07s CPU 2.16s WALL ( 8700 calls) General routines calbec : 2.18s CPU 2.18s WALL ( 8700 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.30s CPU 119.90s WALL ( 710500 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.17s WALL ( 808 calls) Parallel routines fft_scatter : 35.73s CPU 36.23s WALL ( 710523 calls) PWSCF : 3m19.88s CPU 3m44.23s WALL This run was terminated on: 19:21:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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