Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:24:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Be.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 31 11 3 673 146 26 Max 32 12 4 677 160 31 Sum 1139 415 137 24307 5473 1055 bravais-lattice index = 14 lattice parameter (alat) = 4.1757 a.u. unit-cell volume = 56.0471 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 4.00 number of Kohn-Sham states= 12 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.175659 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 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= 582 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 2) = ( 0.0040323 -0.0028512 0.0049385), wk = 0.0017182 k( 3) = ( 0.0080645 -0.0057025 0.0098770), wk = 0.0017182 k( 4) = ( 0.0120968 -0.0085537 0.0148155), wk = 0.0017182 k( 5) = ( 0.0161290 -0.0114049 0.0197539), wk = 0.0017182 k( 6) = ( 0.0201613 -0.0142562 0.0246924), wk = 0.0017182 k( 7) = ( 0.0241936 -0.0171074 0.0296309), wk = 0.0017182 k( 8) = ( 0.0282258 -0.0199587 0.0345694), wk = 0.0017182 k( 9) = ( 0.0322581 -0.0228099 0.0395079), wk = 0.0017182 k( 10) = ( 0.0362903 -0.0256611 0.0444464), wk = 0.0017182 k( 11) = ( 0.0403226 -0.0285124 0.0493849), wk = 0.0017182 k( 12) = ( 0.0443548 -0.0313636 0.0543234), wk = 0.0017182 k( 13) = ( 0.0483871 -0.0342148 0.0592619), wk = 0.0017182 k( 14) = ( 0.0524194 -0.0370661 0.0642003), wk = 0.0017182 k( 15) = ( 0.0564516 -0.0399173 0.0691388), wk = 0.0017182 k( 16) = ( 0.0604839 -0.0427686 0.0740773), wk = 0.0017182 k( 17) = ( 0.0645161 -0.0456198 0.0790158), wk = 0.0017182 k( 18) = ( 0.0685484 -0.0484710 0.0839543), wk = 0.0017182 k( 19) = ( 0.0725806 -0.0513223 0.0888928), wk = 0.0017182 k( 20) = ( 0.0766129 -0.0541735 0.0938313), wk = 0.0017182 k( 21) = ( 0.0806452 -0.0570247 0.0987697), wk = 0.0017182 k( 22) = ( 0.0846774 -0.0598760 0.1037082), wk = 0.0017182 k( 23) = ( 0.0887097 -0.0627272 0.1086467), wk = 0.0017182 k( 24) = ( 0.0927419 -0.0655785 0.1135852), wk = 0.0017182 k( 25) = ( 0.0967742 -0.0684297 0.1185237), wk = 0.0017182 k( 26) = ( 0.1008065 -0.0712809 0.1234622), wk = 0.0017182 k( 27) = ( 0.1048387 -0.0741322 0.1284007), wk = 0.0017182 k( 28) = ( 0.1088710 -0.0769834 0.1333392), wk = 0.0017182 k( 29) = ( 0.1129032 -0.0798346 0.1382777), wk = 0.0017182 k( 30) = ( 0.1169355 -0.0826859 0.1432161), wk = 0.0017182 k( 31) = ( 0.1209677 -0.0855371 0.1481546), wk = 0.0017182 k( 32) = ( 0.1250000 -0.0883883 0.1530931), wk = 0.0017182 k( 33) = ( 0.1290323 -0.0912396 0.1580316), wk = 0.0017182 k( 34) = ( 0.1330645 -0.0940908 0.1629701), wk = 0.0017182 k( 35) = ( 0.1370968 -0.0969421 0.1679086), wk = 0.0017182 k( 36) = ( 0.1411290 -0.0997933 0.1728471), wk = 0.0017182 k( 37) = ( 0.1451613 -0.1026445 0.1777855), wk = 0.0017182 k( 38) = ( 0.1491936 -0.1054958 0.1827240), wk = 0.0017182 k( 39) = ( 0.1532258 -0.1083470 0.1876625), wk = 0.0017182 k( 40) = ( 0.1572581 -0.1111982 0.1926010), wk = 0.0017182 k( 41) = ( 0.1612903 -0.1140495 0.1975395), wk = 0.0017182 k( 42) = ( 0.1653226 -0.1169007 0.2024780), wk = 0.0017182 k( 43) = ( 0.1693548 -0.1197520 0.2074165), wk = 0.0017182 k( 44) = ( 0.1733871 -0.1226032 0.2123550), wk = 0.0017182 k( 45) = ( 0.1774194 -0.1254544 0.2172934), wk = 0.0017182 k( 46) = ( 0.1814516 -0.1283057 0.2222319), wk = 0.0017182 k( 47) = ( 0.1854839 -0.1311569 0.2271704), wk = 0.0017182 k( 48) = ( 0.1895161 -0.1340081 0.2321089), wk = 0.0017182 k( 49) = ( 0.1935484 -0.1368594 0.2370474), wk = 0.0017182 k( 50) = ( 0.1975806 -0.1397106 0.2419859), wk = 0.0017182 k( 51) = ( 0.2016129 -0.1425618 0.2469244), wk = 0.0017182 k( 52) = ( 0.2056452 -0.1454131 0.2518629), wk = 0.0017182 k( 53) = ( 0.2096774 -0.1482643 0.2568013), wk = 0.0017182 k( 54) = ( 0.2137097 -0.1511156 0.2617398), wk = 0.0017182 k( 55) = ( 0.2177419 -0.1539668 0.2666783), wk = 0.0017182 k( 56) = ( 0.2217742 -0.1568180 0.2716168), wk = 0.0017182 k( 57) = ( 0.2258064 -0.1596693 0.2765553), wk = 0.0017182 k( 58) = ( 0.2298387 -0.1625205 0.2814938), wk = 0.0017182 k( 59) = ( 0.2338710 -0.1653717 0.2864323), wk = 0.0017182 k( 60) = ( 0.2379032 -0.1682230 0.2913708), wk = 0.0017182 k( 61) = ( 0.2419355 -0.1710742 0.2963092), wk = 0.0017182 k( 62) = ( 0.2459677 -0.1739255 0.3012477), wk = 0.0017182 k( 63) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0017182 k( 64) = ( 0.2540323 -0.1796279 0.3111247), wk = 0.0017182 k( 65) = ( 0.2580645 -0.1824792 0.3160632), wk = 0.0017182 k( 66) = ( 0.2620968 -0.1853304 0.3210017), wk = 0.0017182 k( 67) = ( 0.2661290 -0.1881816 0.3259402), wk = 0.0017182 k( 68) = ( 0.2701613 -0.1910329 0.3308787), wk = 0.0017182 k( 69) = ( 0.2741936 -0.1938841 0.3358171), wk = 0.0017182 k( 70) = ( 0.2782258 -0.1967354 0.3407556), wk = 0.0017182 k( 71) = ( 0.2822581 -0.1995866 0.3456941), wk = 0.0017182 k( 72) = ( 0.2862903 -0.2024378 0.3506326), wk = 0.0017182 k( 73) = ( 0.2903226 -0.2052891 0.3555711), wk = 0.0017182 k( 74) = ( 0.2943548 -0.2081403 0.3605096), wk = 0.0017182 k( 75) = ( 0.2983871 -0.2109915 0.3654481), wk = 0.0017182 k( 76) = ( 0.3024193 -0.2138428 0.3703865), wk = 0.0017182 k( 77) = ( 0.3064516 -0.2166940 0.3753250), wk = 0.0017182 k( 78) = ( 0.3104839 -0.2195452 0.3802635), wk = 0.0017182 k( 79) = ( 0.3145161 -0.2223965 0.3852020), wk = 0.0017182 k( 80) = ( 0.3185484 -0.2252477 0.3901405), wk = 0.0017182 k( 81) = ( 0.3225807 -0.2280990 0.3950790), wk = 0.0017182 k( 82) = ( 0.3266129 -0.2309502 0.4000175), wk = 0.0017182 k( 83) = ( 0.3306452 -0.2338014 0.4049560), wk = 0.0017182 k( 84) = ( 0.3346774 -0.2366527 0.4098945), wk = 0.0017182 k( 85) = ( 0.3387097 -0.2395039 0.4148329), wk = 0.0017182 k( 86) = ( 0.3427419 -0.2423551 0.4197714), wk = 0.0017182 k( 87) = ( 0.3467742 -0.2452064 0.4247099), wk = 0.0017182 k( 88) = ( 0.3508064 -0.2480576 0.4296484), wk = 0.0017182 k( 89) = ( 0.3548387 -0.2509089 0.4345869), wk = 0.0017182 k( 90) = ( 0.3588710 -0.2537601 0.4395254), wk = 0.0017182 k( 91) = ( 0.3629032 -0.2566113 0.4444639), wk = 0.0017182 k( 92) = ( 0.3669355 -0.2594626 0.4494023), wk = 0.0017182 k( 93) = ( 0.3709677 -0.2623138 0.4543408), wk = 0.0017182 k( 94) = ( 0.3750000 -0.2651650 0.4592793), wk = 0.0017182 k( 95) = ( 0.3790323 -0.2680163 0.4642178), wk = 0.0017182 k( 96) = ( 0.3830645 -0.2708675 0.4691563), wk = 0.0017182 k( 97) = ( 0.3870968 -0.2737188 0.4740948), wk = 0.0017182 k( 98) = ( 0.3911290 -0.2765700 0.4790333), wk = 0.0017182 k( 99) = ( 0.3951613 -0.2794212 0.4839718), wk = 0.0017182 k( 100) = ( 0.3991936 -0.2822725 0.4889103), wk = 0.0017182 k( 101) = ( 0.4032258 -0.2851237 0.4938487), wk = 0.0017182 k( 102) = ( 0.4072581 -0.2879749 0.4987872), wk = 0.0017182 k( 103) = ( 0.4112903 -0.2908262 0.5037257), wk = 0.0017182 k( 104) = ( 0.4153226 -0.2936774 0.5086642), wk = 0.0017182 k( 105) = ( 0.4193548 -0.2965287 0.5136027), wk = 0.0017182 k( 106) = ( 0.4233871 -0.2993799 0.5185412), wk = 0.0017182 k( 107) = ( 0.4274193 -0.3022311 0.5234797), wk = 0.0017182 k( 108) = ( 0.4314516 -0.3050824 0.5284181), wk = 0.0017182 k( 109) = ( 0.4354839 -0.3079336 0.5333566), wk = 0.0017182 k( 110) = ( 0.4395161 -0.3107848 0.5382951), wk = 0.0017182 k( 111) = ( 0.4435484 -0.3136361 0.5432336), wk = 0.0017182 k( 112) = ( 0.4475807 -0.3164873 0.5481721), wk = 0.0017182 k( 113) = ( 0.4516129 -0.3193385 0.5531106), wk = 0.0017182 k( 114) = ( 0.4556452 -0.3221898 0.5580491), wk = 0.0017182 k( 115) = ( 0.4596774 -0.3250410 0.5629876), wk = 0.0017182 k( 116) = ( 0.4637097 -0.3278923 0.5679261), wk = 0.0017182 k( 117) = ( 0.4677419 -0.3307435 0.5728645), wk = 0.0017182 k( 118) = ( 0.4717742 -0.3335947 0.5778030), wk = 0.0017182 k( 119) = ( 0.4758064 -0.3364460 0.5827415), wk = 0.0017182 k( 120) = ( 0.4798387 -0.3392972 0.5876800), wk = 0.0017182 k( 121) = ( 0.4838710 -0.3421484 0.5926185), wk = 0.0017182 k( 122) = ( 0.4879032 -0.3449997 0.5975570), wk = 0.0017182 k( 123) = ( 0.4919355 -0.3478509 0.6024955), wk = 0.0017182 k( 124) = ( 0.4959677 -0.3507022 0.6074339), wk = 0.0017182 k( 125) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0017182 k( 126) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0017182 k( 127) = ( 0.4943182 -0.3495357 0.6123724), wk = 0.0017182 k( 128) = ( 0.4886364 -0.3455181 0.6123724), wk = 0.0017182 k( 129) = ( 0.4829545 -0.3415004 0.6123724), wk = 0.0017182 k( 130) = ( 0.4772727 -0.3374828 0.6123724), wk = 0.0017182 k( 131) = ( 0.4715909 -0.3334651 0.6123724), wk = 0.0017182 k( 132) = ( 0.4659091 -0.3294475 0.6123724), wk = 0.0017182 k( 133) = ( 0.4602273 -0.3254298 0.6123724), wk = 0.0017182 k( 134) = ( 0.4545455 -0.3214122 0.6123724), wk = 0.0017182 k( 135) = ( 0.4488636 -0.3173945 0.6123724), wk = 0.0017182 k( 136) = ( 0.4431818 -0.3133769 0.6123724), wk = 0.0017182 k( 137) = ( 0.4375000 -0.3093592 0.6123724), wk = 0.0017182 k( 138) = ( 0.4318182 -0.3053416 0.6123724), wk = 0.0017182 k( 139) = ( 0.4261364 -0.3013239 0.6123724), wk = 0.0017182 k( 140) = ( 0.4204545 -0.2973063 0.6123724), wk = 0.0017182 k( 141) = ( 0.4147727 -0.2932886 0.6123724), wk = 0.0017182 k( 142) = ( 0.4090909 -0.2892710 0.6123724), wk = 0.0017182 k( 143) = ( 0.4034091 -0.2852533 0.6123724), wk = 0.0017182 k( 144) = ( 0.3977273 -0.2812356 0.6123724), wk = 0.0017182 k( 145) = ( 0.3920455 -0.2772180 0.6123724), wk = 0.0017182 k( 146) = ( 0.3863636 -0.2732003 0.6123724), wk = 0.0017182 k( 147) = ( 0.3806818 -0.2691827 0.6123724), wk = 0.0017182 k( 148) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0017182 k( 149) = ( 0.3693182 -0.2611474 0.6123724), wk = 0.0017182 k( 150) = ( 0.3636364 -0.2571297 0.6123724), wk = 0.0017182 k( 151) = ( 0.3579545 -0.2531121 0.6123724), wk = 0.0017182 k( 152) = ( 0.3522727 -0.2490944 0.6123724), wk = 0.0017182 k( 153) = ( 0.3465909 -0.2450768 0.6123724), wk = 0.0017182 k( 154) = ( 0.3409091 -0.2410591 0.6123724), wk = 0.0017182 k( 155) = ( 0.3352273 -0.2370415 0.6123724), wk = 0.0017182 k( 156) = ( 0.3295455 -0.2330238 0.6123724), wk = 0.0017182 k( 157) = ( 0.3238636 -0.2290062 0.6123724), wk = 0.0017182 k( 158) = ( 0.3181818 -0.2249885 0.6123724), wk = 0.0017182 k( 159) = ( 0.3125000 -0.2209709 0.6123724), wk = 0.0017182 k( 160) = ( 0.3068182 -0.2169532 0.6123724), wk = 0.0017182 k( 161) = ( 0.3011364 -0.2129356 0.6123724), wk = 0.0017182 k( 162) = ( 0.2954545 -0.2089179 0.6123724), wk = 0.0017182 k( 163) = ( 0.2897727 -0.2049003 0.6123724), wk = 0.0017182 k( 164) = ( 0.2840909 -0.2008826 0.6123724), wk = 0.0017182 k( 165) = ( 0.2784091 -0.1968650 0.6123724), wk = 0.0017182 k( 166) = ( 0.2727273 -0.1928473 0.6123724), wk = 0.0017182 k( 167) = ( 0.2670455 -0.1888296 0.6123724), wk = 0.0017182 k( 168) = ( 0.2613636 -0.1848120 0.6123724), wk = 0.0017182 k( 169) = ( 0.2556818 -0.1807943 0.6123724), wk = 0.0017182 k( 170) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0017182 k( 171) = ( 0.2443182 -0.1727590 0.6123724), wk = 0.0017182 k( 172) = ( 0.2386364 -0.1687414 0.6123724), wk = 0.0017182 k( 173) = ( 0.2329546 -0.1647237 0.6123724), wk = 0.0017182 k( 174) = ( 0.2272727 -0.1607061 0.6123724), wk = 0.0017182 k( 175) = ( 0.2215909 -0.1566884 0.6123724), wk = 0.0017182 k( 176) = ( 0.2159091 -0.1526708 0.6123724), wk = 0.0017182 k( 177) = ( 0.2102273 -0.1486531 0.6123724), wk = 0.0017182 k( 178) = ( 0.2045454 -0.1446355 0.6123724), wk = 0.0017182 k( 179) = ( 0.1988636 -0.1406178 0.6123724), wk = 0.0017182 k( 180) = ( 0.1931818 -0.1366002 0.6123724), wk = 0.0017182 k( 181) = ( 0.1875000 -0.1325825 0.6123724), wk = 0.0017182 k( 182) = ( 0.1818182 -0.1285649 0.6123724), wk = 0.0017182 k( 183) = ( 0.1761364 -0.1245472 0.6123724), wk = 0.0017182 k( 184) = ( 0.1704546 -0.1205296 0.6123724), wk = 0.0017182 k( 185) = ( 0.1647727 -0.1165119 0.6123724), wk = 0.0017182 k( 186) = ( 0.1590909 -0.1124943 0.6123724), wk = 0.0017182 k( 187) = ( 0.1534091 -0.1084766 0.6123724), wk = 0.0017182 k( 188) = ( 0.1477273 -0.1044590 0.6123724), wk = 0.0017182 k( 189) = ( 0.1420454 -0.1004413 0.6123724), wk = 0.0017182 k( 190) = ( 0.1363636 -0.0964237 0.6123724), wk = 0.0017182 k( 191) = ( 0.1306818 -0.0924060 0.6123724), wk = 0.0017182 k( 192) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0017182 k( 193) = ( 0.1193182 -0.0843707 0.6123724), wk = 0.0017182 k( 194) = ( 0.1136364 -0.0803530 0.6123724), wk = 0.0017182 k( 195) = ( 0.1079545 -0.0763354 0.6123724), wk = 0.0017182 k( 196) = ( 0.1022727 -0.0723177 0.6123724), wk = 0.0017182 k( 197) = ( 0.0965909 -0.0683001 0.6123724), wk = 0.0017182 k( 198) = ( 0.0909091 -0.0642824 0.6123724), wk = 0.0017182 k( 199) = ( 0.0852273 -0.0602648 0.6123724), wk = 0.0017182 k( 200) = ( 0.0795455 -0.0562471 0.6123724), wk = 0.0017182 k( 201) = ( 0.0738636 -0.0522295 0.6123724), wk = 0.0017182 k( 202) = ( 0.0681818 -0.0482118 0.6123724), wk = 0.0017182 k( 203) = ( 0.0625000 -0.0441942 0.6123724), wk = 0.0017182 k( 204) = ( 0.0568182 -0.0401765 0.6123724), wk = 0.0017182 k( 205) = ( 0.0511364 -0.0361589 0.6123724), wk = 0.0017182 k( 206) = ( 0.0454546 -0.0321412 0.6123724), wk = 0.0017182 k( 207) = ( 0.0397727 -0.0281236 0.6123724), wk = 0.0017182 k( 208) = ( 0.0340909 -0.0241059 0.6123724), wk = 0.0017182 k( 209) = ( 0.0284091 -0.0200883 0.6123724), wk = 0.0017182 k( 210) = ( 0.0227273 -0.0160706 0.6123724), wk = 0.0017182 k( 211) = ( 0.0170455 -0.0120530 0.6123724), wk = 0.0017182 k( 212) = ( 0.0113636 -0.0080353 0.6123724), wk = 0.0017182 k( 213) = ( 0.0056818 -0.0040177 0.6123724), wk = 0.0017182 k( 214) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0017182 k( 215) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0017182 k( 216) = ( 0.0000000 0.0000000 0.6054137), wk = 0.0017182 k( 217) = ( 0.0000000 0.0000000 0.5984549), wk = 0.0017182 k( 218) = ( 0.0000000 0.0000000 0.5914961), wk = 0.0017182 k( 219) = ( 0.0000000 0.0000000 0.5845373), wk = 0.0017182 k( 220) = ( 0.0000000 0.0000000 0.5775785), wk = 0.0017182 k( 221) = ( 0.0000000 0.0000000 0.5706198), wk = 0.0017182 k( 222) = ( 0.0000000 0.0000000 0.5636610), wk = 0.0017182 k( 223) = ( 0.0000000 0.0000000 0.5567022), wk = 0.0017182 k( 224) = ( 0.0000000 0.0000000 0.5497434), wk = 0.0017182 k( 225) = ( 0.0000000 0.0000000 0.5427847), wk = 0.0017182 k( 226) = ( 0.0000000 0.0000000 0.5358259), wk = 0.0017182 k( 227) = ( 0.0000000 0.0000000 0.5288671), wk = 0.0017182 k( 228) = ( 0.0000000 0.0000000 0.5219083), wk = 0.0017182 k( 229) = ( 0.0000000 0.0000000 0.5149496), wk = 0.0017182 k( 230) = ( 0.0000000 0.0000000 0.5079908), wk = 0.0017182 k( 231) = ( 0.0000000 0.0000000 0.5010320), wk = 0.0017182 k( 232) = ( 0.0000000 0.0000000 0.4940732), wk = 0.0017182 k( 233) = ( 0.0000000 0.0000000 0.4871144), wk = 0.0017182 k( 234) = ( 0.0000000 0.0000000 0.4801557), wk = 0.0017182 k( 235) = ( 0.0000000 0.0000000 0.4731969), wk = 0.0017182 k( 236) = ( 0.0000000 0.0000000 0.4662381), wk = 0.0017182 k( 237) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0017182 k( 238) = ( 0.0000000 0.0000000 0.4523205), wk = 0.0017182 k( 239) = ( 0.0000000 0.0000000 0.4453618), wk = 0.0017182 k( 240) = ( 0.0000000 0.0000000 0.4384030), wk = 0.0017182 k( 241) = ( 0.0000000 0.0000000 0.4314442), wk = 0.0017182 k( 242) = ( 0.0000000 0.0000000 0.4244854), wk = 0.0017182 k( 243) = ( 0.0000000 0.0000000 0.4175267), wk = 0.0017182 k( 244) = ( 0.0000000 0.0000000 0.4105679), wk = 0.0017182 k( 245) = ( 0.0000000 0.0000000 0.4036091), wk = 0.0017182 k( 246) = ( 0.0000000 0.0000000 0.3966503), wk = 0.0017182 k( 247) = ( 0.0000000 0.0000000 0.3896916), wk = 0.0017182 k( 248) = ( 0.0000000 0.0000000 0.3827328), wk = 0.0017182 k( 249) = ( 0.0000000 0.0000000 0.3757740), wk = 0.0017182 k( 250) = ( 0.0000000 0.0000000 0.3688152), wk = 0.0017182 k( 251) = ( 0.0000000 0.0000000 0.3618564), wk = 0.0017182 k( 252) = ( 0.0000000 0.0000000 0.3548977), wk = 0.0017182 k( 253) = ( 0.0000000 0.0000000 0.3479389), wk = 0.0017182 k( 254) = ( 0.0000000 0.0000000 0.3409801), wk = 0.0017182 k( 255) = ( 0.0000000 0.0000000 0.3340213), wk = 0.0017182 k( 256) = ( 0.0000000 0.0000000 0.3270625), wk = 0.0017182 k( 257) = ( 0.0000000 0.0000000 0.3201038), wk = 0.0017182 k( 258) = ( 0.0000000 0.0000000 0.3131450), wk = 0.0017182 k( 259) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0017182 k( 260) = ( 0.0000000 0.0000000 0.2992274), wk = 0.0017182 k( 261) = ( 0.0000000 0.0000000 0.2922687), wk = 0.0017182 k( 262) = ( 0.0000000 0.0000000 0.2853099), wk = 0.0017182 k( 263) = ( 0.0000000 0.0000000 0.2783511), wk = 0.0017182 k( 264) = ( 0.0000000 0.0000000 0.2713923), wk = 0.0017182 k( 265) = ( 0.0000000 0.0000000 0.2644336), wk = 0.0017182 k( 266) = ( 0.0000000 0.0000000 0.2574748), wk = 0.0017182 k( 267) = ( 0.0000000 0.0000000 0.2505160), wk = 0.0017182 k( 268) = ( 0.0000000 0.0000000 0.2435572), wk = 0.0017182 k( 269) = ( 0.0000000 0.0000000 0.2365984), wk = 0.0017182 k( 270) = ( 0.0000000 0.0000000 0.2296397), wk = 0.0017182 k( 271) = ( 0.0000000 0.0000000 0.2226809), wk = 0.0017182 k( 272) = ( 0.0000000 0.0000000 0.2157221), wk = 0.0017182 k( 273) = ( 0.0000000 0.0000000 0.2087633), wk = 0.0017182 k( 274) = ( 0.0000000 0.0000000 0.2018046), wk = 0.0017182 k( 275) = ( 0.0000000 0.0000000 0.1948458), wk = 0.0017182 k( 276) = ( 0.0000000 0.0000000 0.1878870), wk = 0.0017182 k( 277) = ( 0.0000000 0.0000000 0.1809282), wk = 0.0017182 k( 278) = ( 0.0000000 0.0000000 0.1739694), wk = 0.0017182 k( 279) = ( 0.0000000 0.0000000 0.1670107), wk = 0.0017182 k( 280) = ( 0.0000000 0.0000000 0.1600519), wk = 0.0017182 k( 281) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0017182 k( 282) = ( 0.0000000 0.0000000 0.1461343), wk = 0.0017182 k( 283) = ( 0.0000000 0.0000000 0.1391755), wk = 0.0017182 k( 284) = ( 0.0000000 0.0000000 0.1322168), wk = 0.0017182 k( 285) = ( 0.0000000 0.0000000 0.1252580), wk = 0.0017182 k( 286) = ( 0.0000000 0.0000000 0.1182992), wk = 0.0017182 k( 287) = ( 0.0000000 0.0000000 0.1113404), wk = 0.0017182 k( 288) = ( 0.0000000 0.0000000 0.1043817), wk = 0.0017182 k( 289) = ( 0.0000000 0.0000000 0.0974229), wk = 0.0017182 k( 290) = ( 0.0000000 0.0000000 0.0904641), wk = 0.0017182 k( 291) = ( 0.0000000 0.0000000 0.0835053), wk = 0.0017182 k( 292) = ( 0.0000000 0.0000000 0.0765466), wk = 0.0017182 k( 293) = ( 0.0000000 0.0000000 0.0695878), wk = 0.0017182 k( 294) = ( 0.0000000 0.0000000 0.0626290), wk = 0.0017182 k( 295) = ( 0.0000000 0.0000000 0.0556702), wk = 0.0017182 k( 296) = ( 0.0000000 0.0000000 0.0487114), wk = 0.0017182 k( 297) = ( 0.0000000 0.0000000 0.0417527), wk = 0.0017182 k( 298) = ( 0.0000000 0.0000000 0.0347939), wk = 0.0017182 k( 299) = ( 0.0000000 0.0000000 0.0278351), wk = 0.0017182 k( 300) = ( 0.0000000 0.0000000 0.0208763), wk = 0.0017182 k( 301) = ( 0.0000000 0.0000000 0.0139176), wk = 0.0017182 k( 302) = ( 0.0000000 0.0000000 0.0069588), wk = 0.0017182 k( 303) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 304) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 305) = ( 0.0023364 0.0033042 0.0057231), wk = 0.0017182 k( 306) = ( 0.0046729 0.0066085 0.0114462), wk = 0.0017182 k( 307) = ( 0.0070094 0.0099127 0.0171693), wk = 0.0017182 k( 308) = ( 0.0093458 0.0132169 0.0228924), wk = 0.0017182 k( 309) = ( 0.0116822 0.0165212 0.0286155), wk = 0.0017182 k( 310) = ( 0.0140187 0.0198254 0.0343386), wk = 0.0017182 k( 311) = ( 0.0163551 0.0231297 0.0400617), wk = 0.0017182 k( 312) = ( 0.0186916 0.0264339 0.0457849), wk = 0.0017182 k( 313) = ( 0.0210280 0.0297381 0.0515080), wk = 0.0017182 k( 314) = ( 0.0233645 0.0330424 0.0572311), wk = 0.0017182 k( 315) = ( 0.0257009 0.0363466 0.0629542), wk = 0.0017182 k( 316) = ( 0.0280374 0.0396508 0.0686773), wk = 0.0017182 k( 317) = ( 0.0303738 0.0429551 0.0744004), wk = 0.0017182 k( 318) = ( 0.0327103 0.0462593 0.0801235), wk = 0.0017182 k( 319) = ( 0.0350467 0.0495636 0.0858466), wk = 0.0017182 k( 320) = ( 0.0373832 0.0528678 0.0915697), wk = 0.0017182 k( 321) = ( 0.0397196 0.0561720 0.0972928), wk = 0.0017182 k( 322) = ( 0.0420561 0.0594763 0.1030159), wk = 0.0017182 k( 323) = ( 0.0443925 0.0627805 0.1087390), wk = 0.0017182 k( 324) = ( 0.0467290 0.0660847 0.1144621), wk = 0.0017182 k( 325) = ( 0.0490654 0.0693890 0.1201852), wk = 0.0017182 k( 326) = ( 0.0514019 0.0726932 0.1259084), wk = 0.0017182 k( 327) = ( 0.0537383 0.0759975 0.1316315), wk = 0.0017182 k( 328) = ( 0.0560748 0.0793017 0.1373546), wk = 0.0017182 k( 329) = ( 0.0584112 0.0826059 0.1430777), wk = 0.0017182 k( 330) = ( 0.0607477 0.0859102 0.1488008), wk = 0.0017182 k( 331) = ( 0.0630841 0.0892144 0.1545239), wk = 0.0017182 k( 332) = ( 0.0654206 0.0925186 0.1602470), wk = 0.0017182 k( 333) = ( 0.0677570 0.0958229 0.1659701), wk = 0.0017182 k( 334) = ( 0.0700935 0.0991271 0.1716932), wk = 0.0017182 k( 335) = ( 0.0724299 0.1024314 0.1774163), wk = 0.0017182 k( 336) = ( 0.0747664 0.1057356 0.1831394), wk = 0.0017182 k( 337) = ( 0.0771028 0.1090398 0.1888625), wk = 0.0017182 k( 338) = ( 0.0794393 0.1123441 0.1945856), wk = 0.0017182 k( 339) = ( 0.0817757 0.1156483 0.2003087), wk = 0.0017182 k( 340) = ( 0.0841121 0.1189525 0.2060318), wk = 0.0017182 k( 341) = ( 0.0864486 0.1222568 0.2117550), wk = 0.0017182 k( 342) = ( 0.0887851 0.1255610 0.2174781), wk = 0.0017182 k( 343) = ( 0.0911215 0.1288653 0.2232012), wk = 0.0017182 k( 344) = ( 0.0934579 0.1321695 0.2289243), wk = 0.0017182 k( 345) = ( 0.0957944 0.1354737 0.2346474), wk = 0.0017182 k( 346) = ( 0.0981308 0.1387780 0.2403705), wk = 0.0017182 k( 347) = ( 0.1004673 0.1420822 0.2460936), wk = 0.0017182 k( 348) = ( 0.1028037 0.1453864 0.2518167), wk = 0.0017182 k( 349) = ( 0.1051402 0.1486907 0.2575398), wk = 0.0017182 k( 350) = ( 0.1074766 0.1519949 0.2632629), wk = 0.0017182 k( 351) = ( 0.1098131 0.1552991 0.2689860), wk = 0.0017182 k( 352) = ( 0.1121495 0.1586034 0.2747091), wk = 0.0017182 k( 353) = ( 0.1144860 0.1619076 0.2804322), wk = 0.0017182 k( 354) = ( 0.1168224 0.1652119 0.2861553), wk = 0.0017182 k( 355) = ( 0.1191589 0.1685161 0.2918785), wk = 0.0017182 k( 356) = ( 0.1214953 0.1718203 0.2976016), wk = 0.0017182 k( 357) = ( 0.1238318 0.1751246 0.3033247), wk = 0.0017182 k( 358) = ( 0.1261682 0.1784288 0.3090478), wk = 0.0017182 k( 359) = ( 0.1285047 0.1817330 0.3147709), wk = 0.0017182 k( 360) = ( 0.1308411 0.1850373 0.3204940), wk = 0.0017182 k( 361) = ( 0.1331776 0.1883415 0.3262171), wk = 0.0017182 k( 362) = ( 0.1355140 0.1916458 0.3319402), wk = 0.0017182 k( 363) = ( 0.1378505 0.1949500 0.3376633), wk = 0.0017182 k( 364) = ( 0.1401869 0.1982542 0.3433864), wk = 0.0017182 k( 365) = ( 0.1425234 0.2015585 0.3491095), wk = 0.0017182 k( 366) = ( 0.1448598 0.2048627 0.3548326), wk = 0.0017182 k( 367) = ( 0.1471963 0.2081669 0.3605557), wk = 0.0017182 k( 368) = ( 0.1495327 0.2114712 0.3662788), wk = 0.0017182 k( 369) = ( 0.1518692 0.2147754 0.3720019), wk = 0.0017182 k( 370) = ( 0.1542056 0.2180797 0.3777251), wk = 0.0017182 k( 371) = ( 0.1565421 0.2213839 0.3834482), wk = 0.0017182 k( 372) = ( 0.1588785 0.2246881 0.3891713), wk = 0.0017182 k( 373) = ( 0.1612149 0.2279924 0.3948944), wk = 0.0017182 k( 374) = ( 0.1635514 0.2312966 0.4006175), wk = 0.0017182 k( 375) = ( 0.1658879 0.2346008 0.4063406), wk = 0.0017182 k( 376) = ( 0.1682243 0.2379051 0.4120637), wk = 0.0017182 k( 377) = ( 0.1705608 0.2412093 0.4177868), wk = 0.0017182 k( 378) = ( 0.1728972 0.2445136 0.4235099), wk = 0.0017182 k( 379) = ( 0.1752336 0.2478178 0.4292330), wk = 0.0017182 k( 380) = ( 0.1775701 0.2511220 0.4349561), wk = 0.0017182 k( 381) = ( 0.1799065 0.2544263 0.4406792), wk = 0.0017182 k( 382) = ( 0.1822430 0.2577305 0.4464023), wk = 0.0017182 k( 383) = ( 0.1845794 0.2610347 0.4521254), wk = 0.0017182 k( 384) = ( 0.1869159 0.2643390 0.4578486), wk = 0.0017182 k( 385) = ( 0.1892523 0.2676432 0.4635717), wk = 0.0017182 k( 386) = ( 0.1915888 0.2709475 0.4692948), wk = 0.0017182 k( 387) = ( 0.1939252 0.2742517 0.4750179), wk = 0.0017182 k( 388) = ( 0.1962617 0.2775559 0.4807410), wk = 0.0017182 k( 389) = ( 0.1985981 0.2808602 0.4864641), wk = 0.0017182 k( 390) = ( 0.2009346 0.2841644 0.4921872), wk = 0.0017182 k( 391) = ( 0.2032710 0.2874686 0.4979103), wk = 0.0017182 k( 392) = ( 0.2056075 0.2907729 0.5036334), wk = 0.0017182 k( 393) = ( 0.2079439 0.2940771 0.5093565), wk = 0.0017182 k( 394) = ( 0.2102804 0.2973814 0.5150796), wk = 0.0017182 k( 395) = ( 0.2126168 0.3006856 0.5208027), wk = 0.0017182 k( 396) = ( 0.2149533 0.3039898 0.5265258), wk = 0.0017182 k( 397) = ( 0.2172897 0.3072941 0.5322489), wk = 0.0017182 k( 398) = ( 0.2196262 0.3105983 0.5379721), wk = 0.0017182 k( 399) = ( 0.2219626 0.3139025 0.5436952), wk = 0.0017182 k( 400) = ( 0.2242991 0.3172068 0.5494183), wk = 0.0017182 k( 401) = ( 0.2266355 0.3205110 0.5551414), wk = 0.0017182 k( 402) = ( 0.2289720 0.3238153 0.5608645), wk = 0.0017182 k( 403) = ( 0.2313084 0.3271195 0.5665876), wk = 0.0017182 k( 404) = ( 0.2336449 0.3304237 0.5723107), wk = 0.0017182 k( 405) = ( 0.2359813 0.3337280 0.5780338), wk = 0.0017182 k( 406) = ( 0.2383178 0.3370322 0.5837569), wk = 0.0017182 k( 407) = ( 0.2406542 0.3403364 0.5894800), wk = 0.0017182 k( 408) = ( 0.2429907 0.3436407 0.5952031), wk = 0.0017182 k( 409) = ( 0.2453271 0.3469449 0.6009262), wk = 0.0017182 k( 410) = ( 0.2476636 0.3502492 0.6066493), wk = 0.0017182 k( 411) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0017182 k( 412) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0017182 k( 413) = ( 0.2523364 0.3469449 0.6123724), wk = 0.0017182 k( 414) = ( 0.2546729 0.3403364 0.6123724), wk = 0.0017182 k( 415) = ( 0.2570094 0.3337280 0.6123724), wk = 0.0017182 k( 416) = ( 0.2593458 0.3271195 0.6123724), wk = 0.0017182 k( 417) = ( 0.2616822 0.3205110 0.6123724), wk = 0.0017182 k( 418) = ( 0.2640187 0.3139025 0.6123724), wk = 0.0017182 k( 419) = ( 0.2663551 0.3072941 0.6123724), wk = 0.0017182 k( 420) = ( 0.2686916 0.3006856 0.6123724), wk = 0.0017182 k( 421) = ( 0.2710280 0.2940771 0.6123724), wk = 0.0017182 k( 422) = ( 0.2733645 0.2874686 0.6123724), wk = 0.0017182 k( 423) = ( 0.2757009 0.2808602 0.6123724), wk = 0.0017182 k( 424) = ( 0.2780374 0.2742517 0.6123724), wk = 0.0017182 k( 425) = ( 0.2803738 0.2676432 0.6123724), wk = 0.0017182 k( 426) = ( 0.2827103 0.2610347 0.6123724), wk = 0.0017182 k( 427) = ( 0.2850467 0.2544263 0.6123724), wk = 0.0017182 k( 428) = ( 0.2873832 0.2478178 0.6123724), wk = 0.0017182 k( 429) = ( 0.2897196 0.2412093 0.6123724), wk = 0.0017182 k( 430) = ( 0.2920561 0.2346009 0.6123724), wk = 0.0017182 k( 431) = ( 0.2943925 0.2279924 0.6123724), wk = 0.0017182 k( 432) = ( 0.2967290 0.2213839 0.6123724), wk = 0.0017182 k( 433) = ( 0.2990654 0.2147754 0.6123724), wk = 0.0017182 k( 434) = ( 0.3014019 0.2081669 0.6123724), wk = 0.0017182 k( 435) = ( 0.3037383 0.2015585 0.6123724), wk = 0.0017182 k( 436) = ( 0.3060748 0.1949500 0.6123724), wk = 0.0017182 k( 437) = ( 0.3084112 0.1883415 0.6123724), wk = 0.0017182 k( 438) = ( 0.3107477 0.1817331 0.6123724), wk = 0.0017182 k( 439) = ( 0.3130841 0.1751246 0.6123724), wk = 0.0017182 k( 440) = ( 0.3154206 0.1685161 0.6123724), wk = 0.0017182 k( 441) = ( 0.3177570 0.1619076 0.6123724), wk = 0.0017182 k( 442) = ( 0.3200935 0.1552992 0.6123724), wk = 0.0017182 k( 443) = ( 0.3224299 0.1486907 0.6123724), wk = 0.0017182 k( 444) = ( 0.3247664 0.1420822 0.6123724), wk = 0.0017182 k( 445) = ( 0.3271028 0.1354737 0.6123724), wk = 0.0017182 k( 446) = ( 0.3294393 0.1288653 0.6123724), wk = 0.0017182 k( 447) = ( 0.3317757 0.1222568 0.6123724), wk = 0.0017182 k( 448) = ( 0.3341121 0.1156483 0.6123724), wk = 0.0017182 k( 449) = ( 0.3364486 0.1090398 0.6123724), wk = 0.0017182 k( 450) = ( 0.3387850 0.1024314 0.6123724), wk = 0.0017182 k( 451) = ( 0.3411215 0.0958229 0.6123724), wk = 0.0017182 k( 452) = ( 0.3434579 0.0892144 0.6123724), wk = 0.0017182 k( 453) = ( 0.3457944 0.0826059 0.6123724), wk = 0.0017182 k( 454) = ( 0.3481308 0.0759975 0.6123724), wk = 0.0017182 k( 455) = ( 0.3504673 0.0693890 0.6123724), wk = 0.0017182 k( 456) = ( 0.3528037 0.0627805 0.6123724), wk = 0.0017182 k( 457) = ( 0.3551402 0.0561720 0.6123724), wk = 0.0017182 k( 458) = ( 0.3574766 0.0495636 0.6123724), wk = 0.0017182 k( 459) = ( 0.3598131 0.0429551 0.6123724), wk = 0.0017182 k( 460) = ( 0.3621495 0.0363466 0.6123724), wk = 0.0017182 k( 461) = ( 0.3644860 0.0297381 0.6123724), wk = 0.0017182 k( 462) = ( 0.3668224 0.0231297 0.6123724), wk = 0.0017182 k( 463) = ( 0.3691589 0.0165212 0.6123724), wk = 0.0017182 k( 464) = ( 0.3714953 0.0099127 0.6123724), wk = 0.0017182 k( 465) = ( 0.3738318 0.0033042 0.6123724), wk = 0.0017182 k( 466) = ( 0.3761682 -0.0033042 0.6123724), wk = 0.0017182 k( 467) = ( 0.3785047 -0.0099127 0.6123724), wk = 0.0017182 k( 468) = ( 0.3808411 -0.0165212 0.6123724), wk = 0.0017182 k( 469) = ( 0.3831776 -0.0231297 0.6123724), wk = 0.0017182 k( 470) = ( 0.3855140 -0.0297381 0.6123724), wk = 0.0017182 k( 471) = ( 0.3878505 -0.0363466 0.6123724), wk = 0.0017182 k( 472) = ( 0.3901869 -0.0429551 0.6123724), wk = 0.0017182 k( 473) = ( 0.3925234 -0.0495636 0.6123724), wk = 0.0017182 k( 474) = ( 0.3948598 -0.0561720 0.6123724), wk = 0.0017182 k( 475) = ( 0.3971963 -0.0627805 0.6123724), wk = 0.0017182 k( 476) = ( 0.3995327 -0.0693890 0.6123724), wk = 0.0017182 k( 477) = ( 0.4018692 -0.0759975 0.6123724), wk = 0.0017182 k( 478) = ( 0.4042056 -0.0826059 0.6123724), wk = 0.0017182 k( 479) = ( 0.4065421 -0.0892144 0.6123724), wk = 0.0017182 k( 480) = ( 0.4088785 -0.0958229 0.6123724), wk = 0.0017182 k( 481) = ( 0.4112150 -0.1024314 0.6123724), wk = 0.0017182 k( 482) = ( 0.4135514 -0.1090398 0.6123724), wk = 0.0017182 k( 483) = ( 0.4158879 -0.1156483 0.6123724), wk = 0.0017182 k( 484) = ( 0.4182243 -0.1222568 0.6123724), wk = 0.0017182 k( 485) = ( 0.4205607 -0.1288653 0.6123724), wk = 0.0017182 k( 486) = ( 0.4228972 -0.1354737 0.6123724), wk = 0.0017182 k( 487) = ( 0.4252336 -0.1420822 0.6123724), wk = 0.0017182 k( 488) = ( 0.4275701 -0.1486907 0.6123724), wk = 0.0017182 k( 489) = ( 0.4299065 -0.1552992 0.6123724), wk = 0.0017182 k( 490) = ( 0.4322430 -0.1619076 0.6123724), wk = 0.0017182 k( 491) = ( 0.4345794 -0.1685161 0.6123724), wk = 0.0017182 k( 492) = ( 0.4369159 -0.1751246 0.6123724), wk = 0.0017182 k( 493) = ( 0.4392523 -0.1817331 0.6123724), wk = 0.0017182 k( 494) = ( 0.4415888 -0.1883415 0.6123724), wk = 0.0017182 k( 495) = ( 0.4439252 -0.1949500 0.6123724), wk = 0.0017182 k( 496) = ( 0.4462617 -0.2015585 0.6123724), wk = 0.0017182 k( 497) = ( 0.4485981 -0.2081669 0.6123724), wk = 0.0017182 k( 498) = ( 0.4509346 -0.2147754 0.6123724), wk = 0.0017182 k( 499) = ( 0.4532710 -0.2213839 0.6123724), wk = 0.0017182 k( 500) = ( 0.4556075 -0.2279924 0.6123724), wk = 0.0017182 k( 501) = ( 0.4579439 -0.2346009 0.6123724), wk = 0.0017182 k( 502) = ( 0.4602804 -0.2412093 0.6123724), wk = 0.0017182 k( 503) = ( 0.4626168 -0.2478178 0.6123724), wk = 0.0017182 k( 504) = ( 0.4649533 -0.2544263 0.6123724), wk = 0.0017182 k( 505) = ( 0.4672897 -0.2610347 0.6123724), wk = 0.0017182 k( 506) = ( 0.4696262 -0.2676432 0.6123724), wk = 0.0017182 k( 507) = ( 0.4719626 -0.2742517 0.6123724), wk = 0.0017182 k( 508) = ( 0.4742991 -0.2808602 0.6123724), wk = 0.0017182 k( 509) = ( 0.4766355 -0.2874686 0.6123724), wk = 0.0017182 k( 510) = ( 0.4789720 -0.2940771 0.6123724), wk = 0.0017182 k( 511) = ( 0.4813084 -0.3006856 0.6123724), wk = 0.0017182 k( 512) = ( 0.4836449 -0.3072941 0.6123724), wk = 0.0017182 k( 513) = ( 0.4859813 -0.3139025 0.6123724), wk = 0.0017182 k( 514) = ( 0.4883178 -0.3205110 0.6123724), wk = 0.0017182 k( 515) = ( 0.4906542 -0.3271195 0.6123724), wk = 0.0017182 k( 516) = ( 0.4929906 -0.3337280 0.6123724), wk = 0.0017182 k( 517) = ( 0.4953271 -0.3403364 0.6123724), wk = 0.0017182 k( 518) = ( 0.4976636 -0.3469449 0.6123724), wk = 0.0017182 k( 519) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0017182 k( 520) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0017182 k( 521) = ( 0.2459677 0.3478509 0.6123724), wk = 0.0017182 k( 522) = ( 0.2419355 0.3421484 0.6123724), wk = 0.0017182 k( 523) = ( 0.2379032 0.3364460 0.6123724), wk = 0.0017182 k( 524) = ( 0.2338710 0.3307435 0.6123724), wk = 0.0017182 k( 525) = ( 0.2298387 0.3250410 0.6123724), wk = 0.0017182 k( 526) = ( 0.2258064 0.3193385 0.6123724), wk = 0.0017182 k( 527) = ( 0.2217742 0.3136361 0.6123724), wk = 0.0017182 k( 528) = ( 0.2177419 0.3079336 0.6123724), wk = 0.0017182 k( 529) = ( 0.2137097 0.3022311 0.6123724), wk = 0.0017182 k( 530) = ( 0.2096774 0.2965287 0.6123724), wk = 0.0017182 k( 531) = ( 0.2056452 0.2908262 0.6123724), wk = 0.0017182 k( 532) = ( 0.2016129 0.2851237 0.6123724), wk = 0.0017182 k( 533) = ( 0.1975806 0.2794212 0.6123724), wk = 0.0017182 k( 534) = ( 0.1935484 0.2737188 0.6123724), wk = 0.0017182 k( 535) = ( 0.1895161 0.2680163 0.6123724), wk = 0.0017182 k( 536) = ( 0.1854839 0.2623138 0.6123724), wk = 0.0017182 k( 537) = ( 0.1814516 0.2566113 0.6123724), wk = 0.0017182 k( 538) = ( 0.1774194 0.2509089 0.6123724), wk = 0.0017182 k( 539) = ( 0.1733871 0.2452064 0.6123724), wk = 0.0017182 k( 540) = ( 0.1693548 0.2395039 0.6123724), wk = 0.0017182 k( 541) = ( 0.1653226 0.2338014 0.6123724), wk = 0.0017182 k( 542) = ( 0.1612903 0.2280990 0.6123724), wk = 0.0017182 k( 543) = ( 0.1572581 0.2223965 0.6123724), wk = 0.0017182 k( 544) = ( 0.1532258 0.2166940 0.6123724), wk = 0.0017182 k( 545) = ( 0.1491936 0.2109915 0.6123724), wk = 0.0017182 k( 546) = ( 0.1451613 0.2052891 0.6123724), wk = 0.0017182 k( 547) = ( 0.1411290 0.1995866 0.6123724), wk = 0.0017182 k( 548) = ( 0.1370968 0.1938841 0.6123724), wk = 0.0017182 k( 549) = ( 0.1330645 0.1881816 0.6123724), wk = 0.0017182 k( 550) = ( 0.1290323 0.1824792 0.6123724), wk = 0.0017182 k( 551) = ( 0.1250000 0.1767767 0.6123724), wk = 0.0017182 k( 552) = ( 0.1209677 0.1710742 0.6123724), wk = 0.0017182 k( 553) = ( 0.1169355 0.1653717 0.6123724), wk = 0.0017182 k( 554) = ( 0.1129032 0.1596693 0.6123724), wk = 0.0017182 k( 555) = ( 0.1088710 0.1539668 0.6123724), wk = 0.0017182 k( 556) = ( 0.1048387 0.1482643 0.6123724), wk = 0.0017182 k( 557) = ( 0.1008065 0.1425618 0.6123724), wk = 0.0017182 k( 558) = ( 0.0967742 0.1368594 0.6123724), wk = 0.0017182 k( 559) = ( 0.0927419 0.1311569 0.6123724), wk = 0.0017182 k( 560) = ( 0.0887097 0.1254544 0.6123724), wk = 0.0017182 k( 561) = ( 0.0846774 0.1197520 0.6123724), wk = 0.0017182 k( 562) = ( 0.0806452 0.1140495 0.6123724), wk = 0.0017182 k( 563) = ( 0.0766129 0.1083470 0.6123724), wk = 0.0017182 k( 564) = ( 0.0725806 0.1026445 0.6123724), wk = 0.0017182 k( 565) = ( 0.0685484 0.0969421 0.6123724), wk = 0.0017182 k( 566) = ( 0.0645161 0.0912396 0.6123724), wk = 0.0017182 k( 567) = ( 0.0604839 0.0855371 0.6123724), wk = 0.0017182 k( 568) = ( 0.0564516 0.0798346 0.6123724), wk = 0.0017182 k( 569) = ( 0.0524194 0.0741322 0.6123724), wk = 0.0017182 k( 570) = ( 0.0483871 0.0684297 0.6123724), wk = 0.0017182 k( 571) = ( 0.0443548 0.0627272 0.6123724), wk = 0.0017182 k( 572) = ( 0.0403226 0.0570247 0.6123724), wk = 0.0017182 k( 573) = ( 0.0362903 0.0513223 0.6123724), wk = 0.0017182 k( 574) = ( 0.0322581 0.0456198 0.6123724), wk = 0.0017182 k( 575) = ( 0.0282258 0.0399173 0.6123724), wk = 0.0017182 k( 576) = ( 0.0241936 0.0342148 0.6123724), wk = 0.0017182 k( 577) = ( 0.0201613 0.0285124 0.6123724), wk = 0.0017182 k( 578) = ( 0.0161290 0.0228099 0.6123724), wk = 0.0017182 k( 579) = ( 0.0120968 0.0171074 0.6123724), wk = 0.0017182 k( 580) = ( 0.0080645 0.0114050 0.6123724), wk = 0.0017182 k( 581) = ( 0.0040323 0.0057025 0.6123724), wk = 0.0017182 k( 582) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0017182 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 2) = ( 0.0040323 -0.0040323 0.0040323), wk = 0.0017182 k( 3) = ( 0.0080645 -0.0080645 0.0080645), wk = 0.0017182 k( 4) = ( 0.0120968 -0.0120968 0.0120968), wk = 0.0017182 k( 5) = ( 0.0161290 -0.0161290 0.0161290), wk = 0.0017182 k( 6) = ( 0.0201613 -0.0201613 0.0201613), wk = 0.0017182 k( 7) = ( 0.0241936 -0.0241936 0.0241936), wk = 0.0017182 k( 8) = ( 0.0282258 -0.0282258 0.0282258), wk = 0.0017182 k( 9) = ( 0.0322581 -0.0322581 0.0322581), wk = 0.0017182 k( 10) = ( 0.0362903 -0.0362903 0.0362903), wk = 0.0017182 k( 11) = ( 0.0403226 -0.0403226 0.0403226), wk = 0.0017182 k( 12) = ( 0.0443548 -0.0443548 0.0443548), wk = 0.0017182 k( 13) = ( 0.0483871 -0.0483871 0.0483871), wk = 0.0017182 k( 14) = ( 0.0524194 -0.0524194 0.0524194), wk = 0.0017182 k( 15) = ( 0.0564516 -0.0564516 0.0564516), wk = 0.0017182 k( 16) = ( 0.0604839 -0.0604839 0.0604839), wk = 0.0017182 k( 17) = ( 0.0645161 -0.0645161 0.0645161), wk = 0.0017182 k( 18) = ( 0.0685484 -0.0685484 0.0685484), wk = 0.0017182 k( 19) = ( 0.0725806 -0.0725806 0.0725807), wk = 0.0017182 k( 20) = ( 0.0766129 -0.0766129 0.0766129), wk = 0.0017182 k( 21) = ( 0.0806452 -0.0806452 0.0806452), wk = 0.0017182 k( 22) = ( 0.0846774 -0.0846774 0.0846774), wk = 0.0017182 k( 23) = ( 0.0887097 -0.0887097 0.0887097), wk = 0.0017182 k( 24) = ( 0.0927419 -0.0927419 0.0927419), wk = 0.0017182 k( 25) = ( 0.0967742 -0.0967742 0.0967742), wk = 0.0017182 k( 26) = ( 0.1008065 -0.1008065 0.1008065), wk = 0.0017182 k( 27) = ( 0.1048387 -0.1048387 0.1048387), wk = 0.0017182 k( 28) = ( 0.1088710 -0.1088710 0.1088710), wk = 0.0017182 k( 29) = ( 0.1129032 -0.1129032 0.1129032), wk = 0.0017182 k( 30) = ( 0.1169355 -0.1169355 0.1169355), wk = 0.0017182 k( 31) = ( 0.1209677 -0.1209677 0.1209677), wk = 0.0017182 k( 32) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0017182 k( 33) = ( 0.1290323 -0.1290323 0.1290323), wk = 0.0017182 k( 34) = ( 0.1330645 -0.1330645 0.1330645), wk = 0.0017182 k( 35) = ( 0.1370968 -0.1370968 0.1370968), wk = 0.0017182 k( 36) = ( 0.1411290 -0.1411290 0.1411290), wk = 0.0017182 k( 37) = ( 0.1451613 -0.1451613 0.1451613), wk = 0.0017182 k( 38) = ( 0.1491936 -0.1491936 0.1491936), wk = 0.0017182 k( 39) = ( 0.1532258 -0.1532258 0.1532258), wk = 0.0017182 k( 40) = ( 0.1572581 -0.1572581 0.1572581), wk = 0.0017182 k( 41) = ( 0.1612903 -0.1612903 0.1612903), wk = 0.0017182 k( 42) = ( 0.1653226 -0.1653226 0.1653226), wk = 0.0017182 k( 43) = ( 0.1693548 -0.1693548 0.1693548), wk = 0.0017182 k( 44) = ( 0.1733871 -0.1733871 0.1733871), wk = 0.0017182 k( 45) = ( 0.1774194 -0.1774194 0.1774194), wk = 0.0017182 k( 46) = ( 0.1814516 -0.1814516 0.1814516), wk = 0.0017182 k( 47) = ( 0.1854839 -0.1854839 0.1854839), wk = 0.0017182 k( 48) = ( 0.1895161 -0.1895161 0.1895161), wk = 0.0017182 k( 49) = ( 0.1935484 -0.1935484 0.1935484), wk = 0.0017182 k( 50) = ( 0.1975806 -0.1975806 0.1975807), wk = 0.0017182 k( 51) = ( 0.2016129 -0.2016129 0.2016129), wk = 0.0017182 k( 52) = ( 0.2056452 -0.2056452 0.2056452), wk = 0.0017182 k( 53) = ( 0.2096774 -0.2096774 0.2096774), wk = 0.0017182 k( 54) = ( 0.2137097 -0.2137097 0.2137097), wk = 0.0017182 k( 55) = ( 0.2177419 -0.2177419 0.2177419), wk = 0.0017182 k( 56) = ( 0.2217742 -0.2217742 0.2217742), wk = 0.0017182 k( 57) = ( 0.2258064 -0.2258064 0.2258064), wk = 0.0017182 k( 58) = ( 0.2298387 -0.2298387 0.2298387), wk = 0.0017182 k( 59) = ( 0.2338710 -0.2338710 0.2338710), wk = 0.0017182 k( 60) = ( 0.2379032 -0.2379032 0.2379032), wk = 0.0017182 k( 61) = ( 0.2419355 -0.2419355 0.2419355), wk = 0.0017182 k( 62) = ( 0.2459677 -0.2459677 0.2459677), wk = 0.0017182 k( 63) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0017182 k( 64) = ( 0.2540323 -0.2540323 0.2540323), wk = 0.0017182 k( 65) = ( 0.2580645 -0.2580645 0.2580645), wk = 0.0017182 k( 66) = ( 0.2620968 -0.2620968 0.2620968), wk = 0.0017182 k( 67) = ( 0.2661290 -0.2661290 0.2661290), wk = 0.0017182 k( 68) = ( 0.2701613 -0.2701613 0.2701613), wk = 0.0017182 k( 69) = ( 0.2741936 -0.2741936 0.2741936), wk = 0.0017182 k( 70) = ( 0.2782258 -0.2782258 0.2782258), wk = 0.0017182 k( 71) = ( 0.2822581 -0.2822581 0.2822581), wk = 0.0017182 k( 72) = ( 0.2862903 -0.2862903 0.2862903), wk = 0.0017182 k( 73) = ( 0.2903226 -0.2903226 0.2903226), wk = 0.0017182 k( 74) = ( 0.2943548 -0.2943548 0.2943548), wk = 0.0017182 k( 75) = ( 0.2983871 -0.2983871 0.2983871), wk = 0.0017182 k( 76) = ( 0.3024193 -0.3024193 0.3024193), wk = 0.0017182 k( 77) = ( 0.3064516 -0.3064516 0.3064516), wk = 0.0017182 k( 78) = ( 0.3104839 -0.3104839 0.3104839), wk = 0.0017182 k( 79) = ( 0.3145161 -0.3145161 0.3145161), wk = 0.0017182 k( 80) = ( 0.3185484 -0.3185484 0.3185484), wk = 0.0017182 k( 81) = ( 0.3225807 -0.3225807 0.3225807), wk = 0.0017182 k( 82) = ( 0.3266129 -0.3266129 0.3266129), wk = 0.0017182 k( 83) = ( 0.3306452 -0.3306452 0.3306452), wk = 0.0017182 k( 84) = ( 0.3346774 -0.3346774 0.3346774), wk = 0.0017182 k( 85) = ( 0.3387097 -0.3387097 0.3387097), wk = 0.0017182 k( 86) = ( 0.3427419 -0.3427419 0.3427419), wk = 0.0017182 k( 87) = ( 0.3467742 -0.3467742 0.3467742), wk = 0.0017182 k( 88) = ( 0.3508064 -0.3508065 0.3508065), wk = 0.0017182 k( 89) = ( 0.3548387 -0.3548387 0.3548387), wk = 0.0017182 k( 90) = ( 0.3588710 -0.3588710 0.3588710), wk = 0.0017182 k( 91) = ( 0.3629032 -0.3629032 0.3629032), wk = 0.0017182 k( 92) = ( 0.3669355 -0.3669355 0.3669355), wk = 0.0017182 k( 93) = ( 0.3709677 -0.3709677 0.3709677), wk = 0.0017182 k( 94) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0017182 k( 95) = ( 0.3790323 -0.3790323 0.3790323), wk = 0.0017182 k( 96) = ( 0.3830645 -0.3830645 0.3830645), wk = 0.0017182 k( 97) = ( 0.3870968 -0.3870968 0.3870968), wk = 0.0017182 k( 98) = ( 0.3911290 -0.3911290 0.3911290), wk = 0.0017182 k( 99) = ( 0.3951613 -0.3951613 0.3951613), wk = 0.0017182 k( 100) = ( 0.3991936 -0.3991935 0.3991936), wk = 0.0017182 k( 101) = ( 0.4032258 -0.4032258 0.4032258), wk = 0.0017182 k( 102) = ( 0.4072581 -0.4072581 0.4072581), wk = 0.0017182 k( 103) = ( 0.4112903 -0.4112903 0.4112903), wk = 0.0017182 k( 104) = ( 0.4153226 -0.4153226 0.4153226), wk = 0.0017182 k( 105) = ( 0.4193548 -0.4193548 0.4193548), wk = 0.0017182 k( 106) = ( 0.4233871 -0.4233871 0.4233871), wk = 0.0017182 k( 107) = ( 0.4274193 -0.4274194 0.4274194), wk = 0.0017182 k( 108) = ( 0.4314516 -0.4314516 0.4314516), wk = 0.0017182 k( 109) = ( 0.4354839 -0.4354839 0.4354839), wk = 0.0017182 k( 110) = ( 0.4395161 -0.4395161 0.4395161), wk = 0.0017182 k( 111) = ( 0.4435484 -0.4435484 0.4435484), wk = 0.0017182 k( 112) = ( 0.4475807 -0.4475807 0.4475807), wk = 0.0017182 k( 113) = ( 0.4516129 -0.4516129 0.4516129), wk = 0.0017182 k( 114) = ( 0.4556452 -0.4556452 0.4556452), wk = 0.0017182 k( 115) = ( 0.4596774 -0.4596774 0.4596774), wk = 0.0017182 k( 116) = ( 0.4637097 -0.4637097 0.4637097), wk = 0.0017182 k( 117) = ( 0.4677419 -0.4677419 0.4677419), wk = 0.0017182 k( 118) = ( 0.4717742 -0.4717742 0.4717742), wk = 0.0017182 k( 119) = ( 0.4758064 -0.4758064 0.4758065), wk = 0.0017182 k( 120) = ( 0.4798387 -0.4798387 0.4798387), wk = 0.0017182 k( 121) = ( 0.4838710 -0.4838710 0.4838710), wk = 0.0017182 k( 122) = ( 0.4879032 -0.4879032 0.4879032), wk = 0.0017182 k( 123) = ( 0.4919355 -0.4919355 0.4919355), wk = 0.0017182 k( 124) = ( 0.4959677 -0.4959677 0.4959677), wk = 0.0017182 k( 125) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0017182 k( 126) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0017182 k( 127) = ( 0.4943182 -0.4943182 0.5000000), wk = 0.0017182 k( 128) = ( 0.4886364 -0.4886364 0.5000000), wk = 0.0017182 k( 129) = ( 0.4829545 -0.4829545 0.5000000), wk = 0.0017182 k( 130) = ( 0.4772727 -0.4772727 0.5000000), wk = 0.0017182 k( 131) = ( 0.4715909 -0.4715909 0.5000000), wk = 0.0017182 k( 132) = ( 0.4659091 -0.4659091 0.5000000), wk = 0.0017182 k( 133) = ( 0.4602273 -0.4602273 0.5000000), wk = 0.0017182 k( 134) = ( 0.4545455 -0.4545454 0.5000000), wk = 0.0017182 k( 135) = ( 0.4488636 -0.4488636 0.5000000), wk = 0.0017182 k( 136) = ( 0.4431818 -0.4431818 0.5000000), wk = 0.0017182 k( 137) = ( 0.4375000 -0.4375000 0.5000000), wk = 0.0017182 k( 138) = ( 0.4318182 -0.4318182 0.5000000), wk = 0.0017182 k( 139) = ( 0.4261364 -0.4261364 0.5000000), wk = 0.0017182 k( 140) = ( 0.4204545 -0.4204545 0.5000000), wk = 0.0017182 k( 141) = ( 0.4147727 -0.4147727 0.5000000), wk = 0.0017182 k( 142) = ( 0.4090909 -0.4090909 0.5000000), wk = 0.0017182 k( 143) = ( 0.4034091 -0.4034091 0.5000000), wk = 0.0017182 k( 144) = ( 0.3977273 -0.3977273 0.5000000), wk = 0.0017182 k( 145) = ( 0.3920455 -0.3920455 0.5000000), wk = 0.0017182 k( 146) = ( 0.3863636 -0.3863636 0.5000000), wk = 0.0017182 k( 147) = ( 0.3806818 -0.3806818 0.5000000), wk = 0.0017182 k( 148) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0017182 k( 149) = ( 0.3693182 -0.3693182 0.5000000), wk = 0.0017182 k( 150) = ( 0.3636364 -0.3636364 0.5000000), wk = 0.0017182 k( 151) = ( 0.3579545 -0.3579546 0.5000000), wk = 0.0017182 k( 152) = ( 0.3522727 -0.3522727 0.5000000), wk = 0.0017182 k( 153) = ( 0.3465909 -0.3465909 0.5000000), wk = 0.0017182 k( 154) = ( 0.3409091 -0.3409091 0.5000000), wk = 0.0017182 k( 155) = ( 0.3352273 -0.3352273 0.5000000), wk = 0.0017182 k( 156) = ( 0.3295455 -0.3295455 0.5000000), wk = 0.0017182 k( 157) = ( 0.3238636 -0.3238636 0.5000000), wk = 0.0017182 k( 158) = ( 0.3181818 -0.3181818 0.5000000), wk = 0.0017182 k( 159) = ( 0.3125000 -0.3125000 0.5000000), wk = 0.0017182 k( 160) = ( 0.3068182 -0.3068182 0.5000000), wk = 0.0017182 k( 161) = ( 0.3011364 -0.3011364 0.5000000), wk = 0.0017182 k( 162) = ( 0.2954545 -0.2954546 0.5000000), wk = 0.0017182 k( 163) = ( 0.2897727 -0.2897727 0.5000000), wk = 0.0017182 k( 164) = ( 0.2840909 -0.2840909 0.5000000), wk = 0.0017182 k( 165) = ( 0.2784091 -0.2784091 0.5000000), wk = 0.0017182 k( 166) = ( 0.2727273 -0.2727273 0.5000000), wk = 0.0017182 k( 167) = ( 0.2670455 -0.2670455 0.5000000), wk = 0.0017182 k( 168) = ( 0.2613636 -0.2613636 0.5000000), wk = 0.0017182 k( 169) = ( 0.2556818 -0.2556818 0.5000000), wk = 0.0017182 k( 170) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0017182 k( 171) = ( 0.2443182 -0.2443182 0.5000000), wk = 0.0017182 k( 172) = ( 0.2386364 -0.2386364 0.5000000), wk = 0.0017182 k( 173) = ( 0.2329546 -0.2329546 0.5000000), wk = 0.0017182 k( 174) = ( 0.2272727 -0.2272727 0.5000000), wk = 0.0017182 k( 175) = ( 0.2215909 -0.2215909 0.5000000), wk = 0.0017182 k( 176) = ( 0.2159091 -0.2159091 0.5000000), wk = 0.0017182 k( 177) = ( 0.2102273 -0.2102273 0.5000000), wk = 0.0017182 k( 178) = ( 0.2045454 -0.2045455 0.5000000), wk = 0.0017182 k( 179) = ( 0.1988636 -0.1988636 0.5000000), wk = 0.0017182 k( 180) = ( 0.1931818 -0.1931818 0.5000000), wk = 0.0017182 k( 181) = ( 0.1875000 -0.1875000 0.5000000), wk = 0.0017182 k( 182) = ( 0.1818182 -0.1818182 0.5000000), wk = 0.0017182 k( 183) = ( 0.1761364 -0.1761364 0.5000000), wk = 0.0017182 k( 184) = ( 0.1704546 -0.1704546 0.5000000), wk = 0.0017182 k( 185) = ( 0.1647727 -0.1647727 0.5000000), wk = 0.0017182 k( 186) = ( 0.1590909 -0.1590909 0.5000000), wk = 0.0017182 k( 187) = ( 0.1534091 -0.1534091 0.5000000), wk = 0.0017182 k( 188) = ( 0.1477273 -0.1477273 0.5000000), wk = 0.0017182 k( 189) = ( 0.1420454 -0.1420454 0.5000000), wk = 0.0017182 k( 190) = ( 0.1363636 -0.1363636 0.5000000), wk = 0.0017182 k( 191) = ( 0.1306818 -0.1306818 0.5000000), wk = 0.0017182 k( 192) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0017182 k( 193) = ( 0.1193182 -0.1193182 0.5000000), wk = 0.0017182 k( 194) = ( 0.1136364 -0.1136364 0.5000000), wk = 0.0017182 k( 195) = ( 0.1079545 -0.1079545 0.5000000), wk = 0.0017182 k( 196) = ( 0.1022727 -0.1022727 0.5000000), wk = 0.0017182 k( 197) = ( 0.0965909 -0.0965909 0.5000000), wk = 0.0017182 k( 198) = ( 0.0909091 -0.0909091 0.5000000), wk = 0.0017182 k( 199) = ( 0.0852273 -0.0852273 0.5000000), wk = 0.0017182 k( 200) = ( 0.0795455 -0.0795455 0.5000000), wk = 0.0017182 k( 201) = ( 0.0738636 -0.0738636 0.5000000), wk = 0.0017182 k( 202) = ( 0.0681818 -0.0681818 0.5000000), wk = 0.0017182 k( 203) = ( 0.0625000 -0.0625000 0.5000000), wk = 0.0017182 k( 204) = ( 0.0568182 -0.0568182 0.5000000), wk = 0.0017182 k( 205) = ( 0.0511364 -0.0511364 0.5000000), wk = 0.0017182 k( 206) = ( 0.0454546 -0.0454546 0.5000000), wk = 0.0017182 k( 207) = ( 0.0397727 -0.0397727 0.5000000), wk = 0.0017182 k( 208) = ( 0.0340909 -0.0340909 0.5000000), wk = 0.0017182 k( 209) = ( 0.0284091 -0.0284091 0.5000000), wk = 0.0017182 k( 210) = ( 0.0227273 -0.0227273 0.5000000), wk = 0.0017182 k( 211) = ( 0.0170455 -0.0170455 0.5000000), wk = 0.0017182 k( 212) = ( 0.0113636 -0.0113636 0.5000000), wk = 0.0017182 k( 213) = ( 0.0056818 -0.0056818 0.5000000), wk = 0.0017182 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017182 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017182 k( 216) = ( 0.0000000 0.0000000 0.4943182), wk = 0.0017182 k( 217) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0017182 k( 218) = ( 0.0000000 0.0000000 0.4829545), wk = 0.0017182 k( 219) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0017182 k( 220) = ( 0.0000000 0.0000000 0.4715909), wk = 0.0017182 k( 221) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0017182 k( 222) = ( 0.0000000 0.0000000 0.4602273), wk = 0.0017182 k( 223) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0017182 k( 224) = ( 0.0000000 0.0000000 0.4488636), wk = 0.0017182 k( 225) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0017182 k( 226) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0017182 k( 227) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0017182 k( 228) = ( 0.0000000 0.0000000 0.4261364), wk = 0.0017182 k( 229) = ( 0.0000000 0.0000000 0.4204546), wk = 0.0017182 k( 230) = ( 0.0000000 0.0000000 0.4147727), wk = 0.0017182 k( 231) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0017182 k( 232) = ( 0.0000000 0.0000000 0.4034091), wk = 0.0017182 k( 233) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0017182 k( 234) = ( 0.0000000 0.0000000 0.3920455), wk = 0.0017182 k( 235) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0017182 k( 236) = ( 0.0000000 0.0000000 0.3806818), wk = 0.0017182 k( 237) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0017182 k( 238) = ( 0.0000000 0.0000000 0.3693182), wk = 0.0017182 k( 239) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0017182 k( 240) = ( 0.0000000 0.0000000 0.3579546), wk = 0.0017182 k( 241) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0017182 k( 242) = ( 0.0000000 0.0000000 0.3465909), wk = 0.0017182 k( 243) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0017182 k( 244) = ( 0.0000000 0.0000000 0.3352273), wk = 0.0017182 k( 245) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0017182 k( 246) = ( 0.0000000 0.0000000 0.3238636), wk = 0.0017182 k( 247) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0017182 k( 248) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0017182 k( 249) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0017182 k( 250) = ( 0.0000000 0.0000000 0.3011364), wk = 0.0017182 k( 251) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0017182 k( 252) = ( 0.0000000 0.0000000 0.2897727), wk = 0.0017182 k( 253) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0017182 k( 254) = ( 0.0000000 0.0000000 0.2784091), wk = 0.0017182 k( 255) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0017182 k( 256) = ( 0.0000000 0.0000000 0.2670455), wk = 0.0017182 k( 257) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0017182 k( 258) = ( 0.0000000 0.0000000 0.2556818), wk = 0.0017182 k( 259) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017182 k( 260) = ( 0.0000000 0.0000000 0.2443182), wk = 0.0017182 k( 261) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0017182 k( 262) = ( 0.0000000 0.0000000 0.2329546), wk = 0.0017182 k( 263) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0017182 k( 264) = ( 0.0000000 0.0000000 0.2215909), wk = 0.0017182 k( 265) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0017182 k( 266) = ( 0.0000000 0.0000000 0.2102273), wk = 0.0017182 k( 267) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0017182 k( 268) = ( 0.0000000 0.0000000 0.1988636), wk = 0.0017182 k( 269) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0017182 k( 270) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0017182 k( 271) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0017182 k( 272) = ( 0.0000000 0.0000000 0.1761364), wk = 0.0017182 k( 273) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0017182 k( 274) = ( 0.0000000 0.0000000 0.1647727), wk = 0.0017182 k( 275) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0017182 k( 276) = ( 0.0000000 0.0000000 0.1534091), wk = 0.0017182 k( 277) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0017182 k( 278) = ( 0.0000000 0.0000000 0.1420454), wk = 0.0017182 k( 279) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0017182 k( 280) = ( 0.0000000 0.0000000 0.1306818), wk = 0.0017182 k( 281) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0017182 k( 282) = ( 0.0000000 0.0000000 0.1193182), wk = 0.0017182 k( 283) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0017182 k( 284) = ( 0.0000000 0.0000000 0.1079545), wk = 0.0017182 k( 285) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0017182 k( 286) = ( 0.0000000 0.0000000 0.0965909), wk = 0.0017182 k( 287) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0017182 k( 288) = ( 0.0000000 0.0000000 0.0852273), wk = 0.0017182 k( 289) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0017182 k( 290) = ( 0.0000000 0.0000000 0.0738636), wk = 0.0017182 k( 291) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0017182 k( 292) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0017182 k( 293) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0017182 k( 294) = ( 0.0000000 0.0000000 0.0511364), wk = 0.0017182 k( 295) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0017182 k( 296) = ( 0.0000000 0.0000000 0.0397727), wk = 0.0017182 k( 297) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0017182 k( 298) = ( 0.0000000 0.0000000 0.0284091), wk = 0.0017182 k( 299) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0017182 k( 300) = ( 0.0000000 0.0000000 0.0170455), wk = 0.0017182 k( 301) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0017182 k( 302) = ( 0.0000000 0.0000000 0.0056818), wk = 0.0017182 k( 303) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 304) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017182 k( 305) = ( 0.0023364 0.0023364 0.0023365), wk = 0.0017182 k( 306) = ( 0.0046729 0.0046729 0.0046729), wk = 0.0017182 k( 307) = ( 0.0070094 0.0070094 0.0070094), wk = 0.0017182 k( 308) = ( 0.0093458 0.0093458 0.0093458), wk = 0.0017182 k( 309) = ( 0.0116822 0.0116822 0.0116822), wk = 0.0017182 k( 310) = ( 0.0140187 0.0140187 0.0140187), wk = 0.0017182 k( 311) = ( 0.0163551 0.0163551 0.0163551), wk = 0.0017182 k( 312) = ( 0.0186916 0.0186916 0.0186916), wk = 0.0017182 k( 313) = ( 0.0210280 0.0210280 0.0210280), wk = 0.0017182 k( 314) = ( 0.0233645 0.0233645 0.0233645), wk = 0.0017182 k( 315) = ( 0.0257009 0.0257009 0.0257009), wk = 0.0017182 k( 316) = ( 0.0280374 0.0280374 0.0280374), wk = 0.0017182 k( 317) = ( 0.0303738 0.0303738 0.0303738), wk = 0.0017182 k( 318) = ( 0.0327103 0.0327103 0.0327103), wk = 0.0017182 k( 319) = ( 0.0350467 0.0350467 0.0350467), wk = 0.0017182 k( 320) = ( 0.0373832 0.0373832 0.0373832), wk = 0.0017182 k( 321) = ( 0.0397196 0.0397196 0.0397196), wk = 0.0017182 k( 322) = ( 0.0420561 0.0420561 0.0420561), wk = 0.0017182 k( 323) = ( 0.0443925 0.0443925 0.0443925), wk = 0.0017182 k( 324) = ( 0.0467290 0.0467290 0.0467290), wk = 0.0017182 k( 325) = ( 0.0490654 0.0490654 0.0490654), wk = 0.0017182 k( 326) = ( 0.0514019 0.0514019 0.0514019), wk = 0.0017182 k( 327) = ( 0.0537383 0.0537383 0.0537383), wk = 0.0017182 k( 328) = ( 0.0560748 0.0560748 0.0560748), wk = 0.0017182 k( 329) = ( 0.0584112 0.0584112 0.0584112), wk = 0.0017182 k( 330) = ( 0.0607477 0.0607477 0.0607477), wk = 0.0017182 k( 331) = ( 0.0630841 0.0630841 0.0630841), wk = 0.0017182 k( 332) = ( 0.0654206 0.0654206 0.0654206), wk = 0.0017182 k( 333) = ( 0.0677570 0.0677570 0.0677570), wk = 0.0017182 k( 334) = ( 0.0700935 0.0700935 0.0700935), wk = 0.0017182 k( 335) = ( 0.0724299 0.0724299 0.0724299), wk = 0.0017182 k( 336) = ( 0.0747664 0.0747664 0.0747664), wk = 0.0017182 k( 337) = ( 0.0771028 0.0771028 0.0771028), wk = 0.0017182 k( 338) = ( 0.0794393 0.0794393 0.0794393), wk = 0.0017182 k( 339) = ( 0.0817757 0.0817757 0.0817757), wk = 0.0017182 k( 340) = ( 0.0841121 0.0841121 0.0841122), wk = 0.0017182 k( 341) = ( 0.0864486 0.0864486 0.0864486), wk = 0.0017182 k( 342) = ( 0.0887851 0.0887850 0.0887851), wk = 0.0017182 k( 343) = ( 0.0911215 0.0911215 0.0911215), wk = 0.0017182 k( 344) = ( 0.0934579 0.0934579 0.0934579), wk = 0.0017182 k( 345) = ( 0.0957944 0.0957944 0.0957944), wk = 0.0017182 k( 346) = ( 0.0981308 0.0981308 0.0981308), wk = 0.0017182 k( 347) = ( 0.1004673 0.1004673 0.1004673), wk = 0.0017182 k( 348) = ( 0.1028037 0.1028037 0.1028037), wk = 0.0017182 k( 349) = ( 0.1051402 0.1051402 0.1051402), wk = 0.0017182 k( 350) = ( 0.1074766 0.1074766 0.1074766), wk = 0.0017182 k( 351) = ( 0.1098131 0.1098131 0.1098131), wk = 0.0017182 k( 352) = ( 0.1121495 0.1121495 0.1121495), wk = 0.0017182 k( 353) = ( 0.1144860 0.1144860 0.1144860), wk = 0.0017182 k( 354) = ( 0.1168224 0.1168224 0.1168224), wk = 0.0017182 k( 355) = ( 0.1191589 0.1191589 0.1191589), wk = 0.0017182 k( 356) = ( 0.1214953 0.1214953 0.1214953), wk = 0.0017182 k( 357) = ( 0.1238318 0.1238318 0.1238318), wk = 0.0017182 k( 358) = ( 0.1261682 0.1261682 0.1261682), wk = 0.0017182 k( 359) = ( 0.1285047 0.1285047 0.1285047), wk = 0.0017182 k( 360) = ( 0.1308411 0.1308411 0.1308411), wk = 0.0017182 k( 361) = ( 0.1331776 0.1331776 0.1331776), wk = 0.0017182 k( 362) = ( 0.1355140 0.1355140 0.1355140), wk = 0.0017182 k( 363) = ( 0.1378505 0.1378505 0.1378505), wk = 0.0017182 k( 364) = ( 0.1401869 0.1401869 0.1401869), wk = 0.0017182 k( 365) = ( 0.1425234 0.1425234 0.1425234), wk = 0.0017182 k( 366) = ( 0.1448598 0.1448598 0.1448598), wk = 0.0017182 k( 367) = ( 0.1471963 0.1471963 0.1471963), wk = 0.0017182 k( 368) = ( 0.1495327 0.1495327 0.1495327), wk = 0.0017182 k( 369) = ( 0.1518692 0.1518692 0.1518692), wk = 0.0017182 k( 370) = ( 0.1542056 0.1542056 0.1542056), wk = 0.0017182 k( 371) = ( 0.1565421 0.1565421 0.1565421), wk = 0.0017182 k( 372) = ( 0.1588785 0.1588785 0.1588785), wk = 0.0017182 k( 373) = ( 0.1612149 0.1612149 0.1612150), wk = 0.0017182 k( 374) = ( 0.1635514 0.1635514 0.1635514), wk = 0.0017182 k( 375) = ( 0.1658879 0.1658878 0.1658879), wk = 0.0017182 k( 376) = ( 0.1682243 0.1682243 0.1682243), wk = 0.0017182 k( 377) = ( 0.1705608 0.1705608 0.1705608), wk = 0.0017182 k( 378) = ( 0.1728972 0.1728972 0.1728972), wk = 0.0017182 k( 379) = ( 0.1752336 0.1752336 0.1752336), wk = 0.0017182 k( 380) = ( 0.1775701 0.1775701 0.1775701), wk = 0.0017182 k( 381) = ( 0.1799065 0.1799065 0.1799065), wk = 0.0017182 k( 382) = ( 0.1822430 0.1822430 0.1822430), wk = 0.0017182 k( 383) = ( 0.1845794 0.1845794 0.1845794), wk = 0.0017182 k( 384) = ( 0.1869159 0.1869159 0.1869159), wk = 0.0017182 k( 385) = ( 0.1892523 0.1892523 0.1892523), wk = 0.0017182 k( 386) = ( 0.1915888 0.1915888 0.1915888), wk = 0.0017182 k( 387) = ( 0.1939252 0.1939252 0.1939252), wk = 0.0017182 k( 388) = ( 0.1962617 0.1962617 0.1962617), wk = 0.0017182 k( 389) = ( 0.1985981 0.1985981 0.1985981), wk = 0.0017182 k( 390) = ( 0.2009346 0.2009346 0.2009346), wk = 0.0017182 k( 391) = ( 0.2032710 0.2032710 0.2032710), wk = 0.0017182 k( 392) = ( 0.2056075 0.2056075 0.2056075), wk = 0.0017182 k( 393) = ( 0.2079439 0.2079439 0.2079439), wk = 0.0017182 k( 394) = ( 0.2102804 0.2102804 0.2102804), wk = 0.0017182 k( 395) = ( 0.2126168 0.2126168 0.2126168), wk = 0.0017182 k( 396) = ( 0.2149533 0.2149533 0.2149533), wk = 0.0017182 k( 397) = ( 0.2172897 0.2172897 0.2172897), wk = 0.0017182 k( 398) = ( 0.2196262 0.2196262 0.2196262), wk = 0.0017182 k( 399) = ( 0.2219626 0.2219626 0.2219626), wk = 0.0017182 k( 400) = ( 0.2242991 0.2242991 0.2242991), wk = 0.0017182 k( 401) = ( 0.2266355 0.2266355 0.2266355), wk = 0.0017182 k( 402) = ( 0.2289720 0.2289720 0.2289720), wk = 0.0017182 k( 403) = ( 0.2313084 0.2313084 0.2313084), wk = 0.0017182 k( 404) = ( 0.2336449 0.2336449 0.2336449), wk = 0.0017182 k( 405) = ( 0.2359813 0.2359813 0.2359813), wk = 0.0017182 k( 406) = ( 0.2383178 0.2383178 0.2383178), wk = 0.0017182 k( 407) = ( 0.2406542 0.2406542 0.2406542), wk = 0.0017182 k( 408) = ( 0.2429907 0.2429907 0.2429907), wk = 0.0017182 k( 409) = ( 0.2453271 0.2453271 0.2453271), wk = 0.0017182 k( 410) = ( 0.2476636 0.2476636 0.2476636), wk = 0.0017182 k( 411) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017182 k( 412) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017182 k( 413) = ( 0.2523364 0.2429906 0.2523365), wk = 0.0017182 k( 414) = ( 0.2546729 0.2359813 0.2546729), wk = 0.0017182 k( 415) = ( 0.2570094 0.2289720 0.2570094), wk = 0.0017182 k( 416) = ( 0.2593458 0.2219626 0.2593458), wk = 0.0017182 k( 417) = ( 0.2616822 0.2149533 0.2616822), wk = 0.0017182 k( 418) = ( 0.2640187 0.2079439 0.2640187), wk = 0.0017182 k( 419) = ( 0.2663551 0.2009346 0.2663551), wk = 0.0017182 k( 420) = ( 0.2686916 0.1939252 0.2686916), wk = 0.0017182 k( 421) = ( 0.2710280 0.1869159 0.2710280), wk = 0.0017182 k( 422) = ( 0.2733645 0.1799065 0.2733645), wk = 0.0017182 k( 423) = ( 0.2757009 0.1728972 0.2757009), wk = 0.0017182 k( 424) = ( 0.2780374 0.1658879 0.2780374), wk = 0.0017182 k( 425) = ( 0.2803738 0.1588785 0.2803738), wk = 0.0017182 k( 426) = ( 0.2827103 0.1518692 0.2827103), wk = 0.0017182 k( 427) = ( 0.2850467 0.1448598 0.2850467), wk = 0.0017182 k( 428) = ( 0.2873832 0.1378505 0.2873832), wk = 0.0017182 k( 429) = ( 0.2897196 0.1308411 0.2897196), wk = 0.0017182 k( 430) = ( 0.2920561 0.1238318 0.2920561), wk = 0.0017182 k( 431) = ( 0.2943925 0.1168224 0.2943925), wk = 0.0017182 k( 432) = ( 0.2967290 0.1098131 0.2967290), wk = 0.0017182 k( 433) = ( 0.2990654 0.1028037 0.2990654), wk = 0.0017182 k( 434) = ( 0.3014019 0.0957944 0.3014019), wk = 0.0017182 k( 435) = ( 0.3037383 0.0887851 0.3037383), wk = 0.0017182 k( 436) = ( 0.3060748 0.0817757 0.3060748), wk = 0.0017182 k( 437) = ( 0.3084112 0.0747664 0.3084112), wk = 0.0017182 k( 438) = ( 0.3107477 0.0677570 0.3107477), wk = 0.0017182 k( 439) = ( 0.3130841 0.0607477 0.3130841), wk = 0.0017182 k( 440) = ( 0.3154206 0.0537383 0.3154206), wk = 0.0017182 k( 441) = ( 0.3177570 0.0467290 0.3177570), wk = 0.0017182 k( 442) = ( 0.3200935 0.0397196 0.3200935), wk = 0.0017182 k( 443) = ( 0.3224299 0.0327103 0.3224299), wk = 0.0017182 k( 444) = ( 0.3247664 0.0257009 0.3247664), wk = 0.0017182 k( 445) = ( 0.3271028 0.0186916 0.3271028), wk = 0.0017182 k( 446) = ( 0.3294393 0.0116822 0.3294393), wk = 0.0017182 k( 447) = ( 0.3317757 0.0046729 0.3317757), wk = 0.0017182 k( 448) = ( 0.3341121 -0.0023365 0.3341122), wk = 0.0017182 k( 449) = ( 0.3364486 -0.0093458 0.3364486), wk = 0.0017182 k( 450) = ( 0.3387850 -0.0163551 0.3387851), wk = 0.0017182 k( 451) = ( 0.3411215 -0.0233645 0.3411215), wk = 0.0017182 k( 452) = ( 0.3434579 -0.0303738 0.3434579), wk = 0.0017182 k( 453) = ( 0.3457944 -0.0373832 0.3457944), wk = 0.0017182 k( 454) = ( 0.3481308 -0.0443925 0.3481308), wk = 0.0017182 k( 455) = ( 0.3504673 -0.0514019 0.3504673), wk = 0.0017182 k( 456) = ( 0.3528037 -0.0584112 0.3528037), wk = 0.0017182 k( 457) = ( 0.3551402 -0.0654206 0.3551402), wk = 0.0017182 k( 458) = ( 0.3574766 -0.0724299 0.3574766), wk = 0.0017182 k( 459) = ( 0.3598131 -0.0794393 0.3598131), wk = 0.0017182 k( 460) = ( 0.3621495 -0.0864486 0.3621495), wk = 0.0017182 k( 461) = ( 0.3644860 -0.0934579 0.3644860), wk = 0.0017182 k( 462) = ( 0.3668224 -0.1004673 0.3668224), wk = 0.0017182 k( 463) = ( 0.3691589 -0.1074766 0.3691589), wk = 0.0017182 k( 464) = ( 0.3714953 -0.1144860 0.3714953), wk = 0.0017182 k( 465) = ( 0.3738318 -0.1214953 0.3738318), wk = 0.0017182 k( 466) = ( 0.3761682 -0.1285047 0.3761682), wk = 0.0017182 k( 467) = ( 0.3785047 -0.1355140 0.3785047), wk = 0.0017182 k( 468) = ( 0.3808411 -0.1425234 0.3808411), wk = 0.0017182 k( 469) = ( 0.3831776 -0.1495327 0.3831776), wk = 0.0017182 k( 470) = ( 0.3855140 -0.1565421 0.3855140), wk = 0.0017182 k( 471) = ( 0.3878505 -0.1635514 0.3878505), wk = 0.0017182 k( 472) = ( 0.3901869 -0.1705608 0.3901869), wk = 0.0017182 k( 473) = ( 0.3925234 -0.1775701 0.3925234), wk = 0.0017182 k( 474) = ( 0.3948598 -0.1845794 0.3948598), wk = 0.0017182 k( 475) = ( 0.3971963 -0.1915888 0.3971963), wk = 0.0017182 k( 476) = ( 0.3995327 -0.1985981 0.3995327), wk = 0.0017182 k( 477) = ( 0.4018692 -0.2056075 0.4018692), wk = 0.0017182 k( 478) = ( 0.4042056 -0.2126168 0.4042056), wk = 0.0017182 k( 479) = ( 0.4065421 -0.2196262 0.4065421), wk = 0.0017182 k( 480) = ( 0.4088785 -0.2266355 0.4088785), wk = 0.0017182 k( 481) = ( 0.4112150 -0.2336449 0.4112150), wk = 0.0017182 k( 482) = ( 0.4135514 -0.2406542 0.4135514), wk = 0.0017182 k( 483) = ( 0.4158879 -0.2476636 0.4158879), wk = 0.0017182 k( 484) = ( 0.4182243 -0.2546729 0.4182243), wk = 0.0017182 k( 485) = ( 0.4205607 -0.2616822 0.4205608), wk = 0.0017182 k( 486) = ( 0.4228972 -0.2686916 0.4228972), wk = 0.0017182 k( 487) = ( 0.4252336 -0.2757009 0.4252336), wk = 0.0017182 k( 488) = ( 0.4275701 -0.2827103 0.4275701), wk = 0.0017182 k( 489) = ( 0.4299065 -0.2897196 0.4299065), wk = 0.0017182 k( 490) = ( 0.4322430 -0.2967290 0.4322430), wk = 0.0017182 k( 491) = ( 0.4345794 -0.3037383 0.4345794), wk = 0.0017182 k( 492) = ( 0.4369159 -0.3107477 0.4369159), wk = 0.0017182 k( 493) = ( 0.4392523 -0.3177570 0.4392523), wk = 0.0017182 k( 494) = ( 0.4415888 -0.3247664 0.4415888), wk = 0.0017182 k( 495) = ( 0.4439252 -0.3317757 0.4439252), wk = 0.0017182 k( 496) = ( 0.4462617 -0.3387850 0.4462617), wk = 0.0017182 k( 497) = ( 0.4485981 -0.3457944 0.4485981), wk = 0.0017182 k( 498) = ( 0.4509346 -0.3528037 0.4509346), wk = 0.0017182 k( 499) = ( 0.4532710 -0.3598131 0.4532710), wk = 0.0017182 k( 500) = ( 0.4556075 -0.3668224 0.4556075), wk = 0.0017182 k( 501) = ( 0.4579439 -0.3738318 0.4579439), wk = 0.0017182 k( 502) = ( 0.4602804 -0.3808411 0.4602804), wk = 0.0017182 k( 503) = ( 0.4626168 -0.3878505 0.4626168), wk = 0.0017182 k( 504) = ( 0.4649533 -0.3948598 0.4649533), wk = 0.0017182 k( 505) = ( 0.4672897 -0.4018692 0.4672897), wk = 0.0017182 k( 506) = ( 0.4696262 -0.4088785 0.4696262), wk = 0.0017182 k( 507) = ( 0.4719626 -0.4158879 0.4719626), wk = 0.0017182 k( 508) = ( 0.4742991 -0.4228972 0.4742991), wk = 0.0017182 k( 509) = ( 0.4766355 -0.4299065 0.4766355), wk = 0.0017182 k( 510) = ( 0.4789720 -0.4369159 0.4789720), wk = 0.0017182 k( 511) = ( 0.4813084 -0.4439252 0.4813084), wk = 0.0017182 k( 512) = ( 0.4836449 -0.4509346 0.4836449), wk = 0.0017182 k( 513) = ( 0.4859813 -0.4579439 0.4859813), wk = 0.0017182 k( 514) = ( 0.4883178 -0.4649533 0.4883178), wk = 0.0017182 k( 515) = ( 0.4906542 -0.4719626 0.4906542), wk = 0.0017182 k( 516) = ( 0.4929906 -0.4789720 0.4929907), wk = 0.0017182 k( 517) = ( 0.4953271 -0.4859813 0.4953271), wk = 0.0017182 k( 518) = ( 0.4976636 -0.4929906 0.4976636), wk = 0.0017182 k( 519) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0017182 k( 520) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017182 k( 521) = ( 0.2459677 0.2459677 0.2540323), wk = 0.0017182 k( 522) = ( 0.2419355 0.2419355 0.2580645), wk = 0.0017182 k( 523) = ( 0.2379032 0.2379032 0.2620968), wk = 0.0017182 k( 524) = ( 0.2338710 0.2338710 0.2661290), wk = 0.0017182 k( 525) = ( 0.2298387 0.2298387 0.2701613), wk = 0.0017182 k( 526) = ( 0.2258064 0.2258064 0.2741936), wk = 0.0017182 k( 527) = ( 0.2217742 0.2217742 0.2782258), wk = 0.0017182 k( 528) = ( 0.2177419 0.2177419 0.2822581), wk = 0.0017182 k( 529) = ( 0.2137097 0.2137097 0.2862903), wk = 0.0017182 k( 530) = ( 0.2096774 0.2096774 0.2903226), wk = 0.0017182 k( 531) = ( 0.2056452 0.2056452 0.2943548), wk = 0.0017182 k( 532) = ( 0.2016129 0.2016129 0.2983871), wk = 0.0017182 k( 533) = ( 0.1975806 0.1975807 0.3024194), wk = 0.0017182 k( 534) = ( 0.1935484 0.1935484 0.3064516), wk = 0.0017182 k( 535) = ( 0.1895161 0.1895161 0.3104839), wk = 0.0017182 k( 536) = ( 0.1854839 0.1854839 0.3145161), wk = 0.0017182 k( 537) = ( 0.1814516 0.1814516 0.3185484), wk = 0.0017182 k( 538) = ( 0.1774194 0.1774194 0.3225807), wk = 0.0017182 k( 539) = ( 0.1733871 0.1733871 0.3266129), wk = 0.0017182 k( 540) = ( 0.1693548 0.1693548 0.3306452), wk = 0.0017182 k( 541) = ( 0.1653226 0.1653226 0.3346774), wk = 0.0017182 k( 542) = ( 0.1612903 0.1612903 0.3387097), wk = 0.0017182 k( 543) = ( 0.1572581 0.1572581 0.3427419), wk = 0.0017182 k( 544) = ( 0.1532258 0.1532258 0.3467742), wk = 0.0017182 k( 545) = ( 0.1491936 0.1491936 0.3508065), wk = 0.0017182 k( 546) = ( 0.1451613 0.1451613 0.3548387), wk = 0.0017182 k( 547) = ( 0.1411290 0.1411290 0.3588710), wk = 0.0017182 k( 548) = ( 0.1370968 0.1370968 0.3629032), wk = 0.0017182 k( 549) = ( 0.1330645 0.1330645 0.3669355), wk = 0.0017182 k( 550) = ( 0.1290323 0.1290323 0.3709677), wk = 0.0017182 k( 551) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0017182 k( 552) = ( 0.1209677 0.1209677 0.3790323), wk = 0.0017182 k( 553) = ( 0.1169355 0.1169355 0.3830645), wk = 0.0017182 k( 554) = ( 0.1129032 0.1129032 0.3870968), wk = 0.0017182 k( 555) = ( 0.1088710 0.1088710 0.3911290), wk = 0.0017182 k( 556) = ( 0.1048387 0.1048387 0.3951613), wk = 0.0017182 k( 557) = ( 0.1008065 0.1008065 0.3991936), wk = 0.0017182 k( 558) = ( 0.0967742 0.0967742 0.4032258), wk = 0.0017182 k( 559) = ( 0.0927419 0.0927419 0.4072581), wk = 0.0017182 k( 560) = ( 0.0887097 0.0887097 0.4112903), wk = 0.0017182 k( 561) = ( 0.0846774 0.0846774 0.4153226), wk = 0.0017182 k( 562) = ( 0.0806452 0.0806452 0.4193548), wk = 0.0017182 k( 563) = ( 0.0766129 0.0766129 0.4233871), wk = 0.0017182 k( 564) = ( 0.0725806 0.0725807 0.4274193), wk = 0.0017182 k( 565) = ( 0.0685484 0.0685484 0.4314516), wk = 0.0017182 k( 566) = ( 0.0645161 0.0645161 0.4354839), wk = 0.0017182 k( 567) = ( 0.0604839 0.0604839 0.4395161), wk = 0.0017182 k( 568) = ( 0.0564516 0.0564516 0.4435484), wk = 0.0017182 k( 569) = ( 0.0524194 0.0524194 0.4475807), wk = 0.0017182 k( 570) = ( 0.0483871 0.0483871 0.4516129), wk = 0.0017182 k( 571) = ( 0.0443548 0.0443548 0.4556452), wk = 0.0017182 k( 572) = ( 0.0403226 0.0403226 0.4596774), wk = 0.0017182 k( 573) = ( 0.0362903 0.0362903 0.4637097), wk = 0.0017182 k( 574) = ( 0.0322581 0.0322581 0.4677419), wk = 0.0017182 k( 575) = ( 0.0282258 0.0282258 0.4717742), wk = 0.0017182 k( 576) = ( 0.0241936 0.0241935 0.4758065), wk = 0.0017182 k( 577) = ( 0.0201613 0.0201613 0.4798387), wk = 0.0017182 k( 578) = ( 0.0161290 0.0161290 0.4838710), wk = 0.0017182 k( 579) = ( 0.0120968 0.0120968 0.4879032), wk = 0.0017182 k( 580) = ( 0.0080645 0.0080645 0.4919355), wk = 0.0017182 k( 581) = ( 0.0040323 0.0040323 0.4959677), wk = 0.0017182 k( 582) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017182 Dense grid: 24307 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 5473 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 12) NL pseudopotentials 0.00 Mb ( 17, 14) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 674) G-vector shells 0.00 Mb ( 156) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.02 Mb ( 34, 48) Each subspace H/S matrix 0.00 Mb ( 12, 12) Each matrix 0.01 Mb ( 14, 2, 12) The potential is recalculated from file : ./Be.save/charge-density.dat Starting wfc are 10 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.5 secs Computing kpt #: 21 total cpu time spent up to now is 3.5 secs Computing kpt #: 22 total cpu time spent up to now is 3.6 secs Computing kpt #: 23 total cpu time spent up to now is 3.6 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.7 secs Computing kpt #: 26 total cpu time spent up to now is 3.7 secs Computing kpt #: 27 total cpu time spent up to now is 3.8 secs Computing kpt #: 28 total cpu time spent up to now is 3.8 secs Computing kpt #: 29 total cpu time spent up to now is 3.8 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.9 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 3.9 secs Computing kpt #: 34 total cpu time spent up to now is 4.0 secs Computing kpt #: 35 total cpu time spent up to now is 4.0 secs Computing kpt #: 36 total cpu time spent up to now is 4.0 secs Computing kpt #: 37 total cpu time spent up to now is 4.1 secs Computing kpt #: 38 total cpu time spent up to now is 4.1 secs Computing kpt #: 39 total cpu time spent up to now is 4.1 secs Computing kpt #: 40 total cpu time spent up to now is 4.1 secs Computing kpt #: 41 total cpu time spent up to now is 4.2 secs Computing kpt #: 42 total cpu time spent up to now is 4.2 secs Computing kpt #: 43 total cpu time spent up to now is 4.2 secs Computing kpt #: 44 total cpu time spent up to now is 4.3 secs Computing kpt #: 45 total cpu time spent up to now is 4.3 secs Computing kpt #: 46 total cpu time spent up to now is 4.3 secs Computing kpt #: 47 total cpu time spent up to now is 4.3 secs Computing kpt #: 48 total cpu time spent up to now is 4.4 secs Computing kpt #: 49 total cpu time spent up to now is 4.4 secs Computing kpt #: 50 total cpu time spent up to now is 4.4 secs Computing kpt #: 51 total cpu time spent up to now is 4.5 secs Computing kpt #: 52 total cpu time spent up to now is 4.5 secs Computing kpt #: 53 total cpu time spent up to now is 4.5 secs Computing kpt #: 54 total cpu time spent up to now is 4.6 secs Computing kpt #: 55 total cpu time spent up to now is 4.7 secs Computing kpt #: 56 total cpu time spent up to now is 4.7 secs Computing kpt #: 57 total cpu time spent up to now is 4.7 secs Computing kpt #: 58 total cpu time spent up to now is 4.7 secs Computing kpt #: 59 total cpu time spent up to now is 4.8 secs Computing kpt #: 60 total cpu time spent up to now is 4.8 secs Computing kpt #: 61 total cpu time spent up to now is 4.8 secs Computing kpt #: 62 total cpu time spent up to now is 4.9 secs Computing kpt #: 63 total cpu time spent up to now is 4.9 secs Computing kpt #: 64 total cpu time spent up to now is 4.9 secs Computing kpt #: 65 total cpu time spent up to now is 4.9 secs Computing kpt #: 66 total cpu time spent up to now is 5.0 secs Computing kpt #: 67 total cpu time spent up to now is 5.0 secs Computing kpt #: 68 total cpu time spent up to now is 5.0 secs Computing kpt #: 69 total cpu time spent up to now is 5.1 secs Computing kpt #: 70 total cpu time spent up to now is 5.1 secs Computing kpt #: 71 total cpu time spent up to now is 5.1 secs Computing kpt #: 72 total cpu time spent up to now is 5.1 secs Computing kpt #: 73 total cpu time spent up to now is 5.2 secs Computing kpt #: 74 total cpu time spent up to now is 5.2 secs Computing kpt #: 75 total cpu time spent up to now is 5.2 secs Computing kpt #: 76 total cpu time spent up to now is 5.3 secs Computing kpt #: 77 total cpu time spent up to now is 5.3 secs Computing kpt #: 78 total cpu time spent up to now is 5.3 secs Computing kpt #: 79 total cpu time spent up to now is 5.3 secs Computing kpt #: 80 total cpu time spent up to now is 5.4 secs Computing kpt #: 81 total cpu time spent up to now is 5.4 secs Computing kpt #: 82 total cpu time spent up to now is 5.4 secs Computing kpt #: 83 total cpu time spent up to now is 5.5 secs Computing kpt #: 84 total cpu time spent up to now is 5.5 secs Computing kpt #: 85 total cpu time spent up to now is 5.5 secs Computing kpt #: 86 total cpu time spent up to now is 5.5 secs Computing kpt #: 87 total cpu time spent up to now is 5.6 secs Computing kpt #: 88 total cpu time spent up to now is 5.6 secs Computing kpt #: 89 total cpu time spent up to now is 5.6 secs Computing kpt #: 90 total cpu time spent up to now is 5.6 secs Computing kpt #: 91 total cpu time spent up to now is 5.7 secs Computing kpt #: 92 total cpu time spent up to now is 5.7 secs Computing kpt #: 93 total cpu time spent up to now is 5.7 secs Computing kpt #: 94 total cpu time spent up to now is 5.8 secs Computing kpt #: 95 total cpu time spent up to now is 5.8 secs Computing kpt #: 96 total cpu time spent up to now is 5.8 secs Computing kpt #: 97 total cpu time spent up to now is 5.8 secs Computing kpt #: 98 total cpu time spent up to now is 5.9 secs Computing kpt #: 99 total cpu time spent up to now is 5.9 secs Computing kpt #: 100 total cpu time spent up to now is 5.9 secs Computing kpt #: 101 total cpu time spent up to now is 6.0 secs Computing kpt #: 102 total cpu time spent up to now is 6.0 secs Computing kpt #: 103 total cpu time spent up to now is 6.0 secs Computing kpt #: 104 total cpu time spent up to now is 6.1 secs Computing kpt #: 105 total cpu time spent up to now is 6.1 secs Computing kpt #: 106 total cpu time spent up to now is 6.1 secs Computing kpt #: 107 total cpu time spent up to now is 6.1 secs Computing kpt #: 108 total cpu time spent up to now is 6.2 secs Computing kpt #: 109 total cpu time spent up to now is 6.2 secs Computing kpt #: 110 total cpu time spent up to now is 6.2 secs Computing kpt #: 111 total cpu time spent up to now is 6.3 secs Computing kpt #: 112 total cpu time spent up to now is 6.3 secs Computing kpt #: 113 total cpu time spent up to now is 6.3 secs Computing kpt #: 114 total cpu time spent up to now is 6.3 secs Computing kpt #: 115 total cpu time spent up to now is 6.4 secs Computing kpt #: 116 total cpu time spent up to now is 6.4 secs Computing kpt #: 117 total cpu time spent up to now is 6.4 secs Computing kpt #: 118 total cpu time spent up to now is 6.5 secs Computing kpt #: 119 total cpu time spent up to now is 6.5 secs Computing kpt #: 120 total cpu time spent up to now is 6.5 secs Computing kpt #: 121 total cpu time spent up to now is 6.5 secs Computing kpt #: 122 total cpu time spent up to now is 6.6 secs Computing kpt #: 123 total cpu time spent up to now is 6.6 secs Computing kpt #: 124 total cpu time spent up to now is 6.6 secs Computing kpt #: 125 total cpu time spent up to now is 6.7 secs Computing kpt #: 126 total cpu time spent up to now is 6.7 secs Computing kpt #: 127 total cpu time spent up to now is 6.7 secs Computing kpt #: 128 total cpu time spent up to now is 6.7 secs Computing kpt #: 129 total cpu time spent up to now is 6.8 secs Computing kpt #: 130 total cpu time spent up to now is 6.8 secs Computing kpt #: 131 total cpu time spent up to now is 6.8 secs Computing kpt #: 132 total cpu time spent up to now is 6.8 secs Computing kpt #: 133 total cpu time spent up to now is 6.9 secs Computing kpt #: 134 total cpu time spent up to now is 6.9 secs Computing kpt #: 135 total cpu time spent up to now is 6.9 secs Computing kpt #: 136 total cpu time spent up to now is 6.9 secs Computing kpt #: 137 total cpu time spent up to now is 7.0 secs Computing kpt #: 138 total cpu time spent up to now is 7.0 secs Computing kpt #: 139 total cpu time spent up to now is 7.0 secs Computing kpt #: 140 total cpu time spent up to now is 7.0 secs Computing kpt #: 141 total cpu time spent up to now is 7.0 secs Computing kpt #: 142 total cpu time spent up to now is 7.1 secs Computing kpt #: 143 total cpu time spent up to now is 7.1 secs Computing kpt #: 144 total cpu time spent up to now is 7.1 secs Computing kpt #: 145 total cpu time spent up to now is 7.1 secs Computing kpt #: 146 total cpu time spent up to now is 7.2 secs Computing kpt #: 147 total cpu time spent up to now is 7.2 secs Computing kpt #: 148 total cpu time spent up to now is 7.2 secs Computing kpt #: 149 total cpu time spent up to now is 7.2 secs Computing kpt #: 150 total cpu time spent up to now is 7.3 secs Computing kpt #: 151 total cpu time spent up to now is 7.3 secs Computing kpt #: 152 total cpu time spent up to now is 7.3 secs Computing kpt #: 153 total cpu time spent up to now is 7.4 secs Computing kpt #: 154 total cpu time spent up to now is 7.4 secs Computing kpt #: 155 total cpu time spent up to now is 7.4 secs Computing kpt #: 156 total cpu time spent up to now is 7.4 secs Computing kpt #: 157 total cpu time spent up to now is 7.5 secs Computing kpt #: 158 total cpu time spent up to now is 7.5 secs Computing kpt #: 159 total cpu time spent up to now is 7.5 secs Computing kpt #: 160 total cpu time spent up to now is 7.6 secs Computing kpt #: 161 total cpu time spent up to now is 7.6 secs Computing kpt #: 162 total cpu time spent up to now is 7.6 secs Computing kpt #: 163 total cpu time spent up to now is 7.7 secs Computing kpt #: 164 total cpu time spent up to now is 7.7 secs Computing kpt #: 165 total cpu time spent up to now is 7.7 secs Computing kpt #: 166 total cpu time spent up to now is 7.7 secs Computing kpt #: 167 total cpu time spent up to now is 7.8 secs Computing kpt #: 168 total cpu time spent up to now is 7.8 secs Computing kpt #: 169 total cpu time spent up to now is 7.8 secs Computing kpt #: 170 total cpu time spent up to now is 7.8 secs Computing kpt #: 171 total cpu time spent up to now is 7.9 secs Computing kpt #: 172 total cpu time spent up to now is 7.9 secs Computing kpt #: 173 total cpu time spent up to now is 7.9 secs Computing kpt #: 174 total cpu time spent up to now is 7.9 secs Computing kpt #: 175 total cpu time spent up to now is 8.0 secs Computing kpt #: 176 total cpu time spent up to now is 8.0 secs Computing kpt #: 177 total cpu time spent up to now is 8.0 secs Computing kpt #: 178 total cpu time spent up to now is 8.0 secs Computing kpt #: 179 total cpu time spent up to now is 8.0 secs Computing kpt #: 180 total cpu time spent up to now is 8.1 secs Computing kpt #: 181 total cpu time spent up to now is 8.1 secs Computing kpt #: 182 total cpu time spent up to now is 8.1 secs Computing kpt #: 183 total cpu time spent up to now is 8.1 secs Computing kpt #: 184 total cpu time spent up to now is 8.2 secs Computing kpt #: 185 total cpu time spent up to now is 8.2 secs Computing kpt #: 186 total cpu time spent up to now is 8.2 secs Computing kpt #: 187 total cpu time spent up to now is 8.2 secs Computing kpt #: 188 total cpu time spent up to now is 8.3 secs Computing kpt #: 189 total cpu time spent up to now is 8.3 secs Computing kpt #: 190 total cpu time spent up to now is 8.3 secs Computing kpt #: 191 total cpu time spent up to now is 8.3 secs Computing kpt #: 192 total cpu time spent up to now is 8.4 secs Computing kpt #: 193 total cpu time spent up to now is 8.4 secs Computing kpt #: 194 total cpu time spent up to now is 8.4 secs Computing kpt #: 195 total cpu time spent up to now is 8.5 secs Computing kpt #: 196 total cpu time spent up to now is 8.5 secs Computing kpt #: 197 total cpu time spent up to now is 8.5 secs Computing kpt #: 198 total cpu time spent up to now is 8.6 secs Computing kpt #: 199 total cpu time spent up to now is 8.6 secs Computing kpt #: 200 total cpu time spent up to now is 8.6 secs Computing kpt #: 201 total cpu time spent up to now is 8.6 secs Computing kpt #: 202 total cpu time spent up to now is 8.6 secs Computing kpt #: 203 total cpu time spent up to now is 8.7 secs Computing kpt #: 204 total cpu time spent up to now is 8.7 secs Computing kpt #: 205 total cpu time spent up to now is 8.7 secs Computing kpt #: 206 total cpu time spent up to now is 8.7 secs Computing kpt #: 207 total cpu time spent up to now is 8.8 secs Computing kpt #: 208 total cpu time spent up to now is 8.8 secs Computing kpt #: 209 total cpu time spent up to now is 8.8 secs Computing kpt #: 210 total cpu time spent up to now is 8.8 secs Computing kpt #: 211 total cpu time spent up to now is 8.9 secs Computing kpt #: 212 total cpu time spent up to now is 8.9 secs Computing kpt #: 213 total cpu time spent up to now is 8.9 secs Computing kpt #: 214 total cpu time spent up to now is 8.9 secs Computing kpt #: 215 total cpu time spent up to now is 9.0 secs Computing kpt #: 216 total cpu time spent up to now is 9.0 secs Computing kpt #: 217 total cpu time spent up to now is 9.0 secs Computing kpt #: 218 total cpu time spent up to now is 9.1 secs Computing kpt #: 219 total cpu time spent up to now is 9.1 secs Computing kpt #: 220 total cpu time spent up to now is 9.1 secs Computing kpt #: 221 total cpu time spent up to now is 9.1 secs Computing kpt #: 222 total cpu time spent up to now is 9.2 secs Computing kpt #: 223 total cpu time spent up to now is 9.2 secs Computing kpt #: 224 total cpu time spent up to now is 9.2 secs Computing kpt #: 225 total cpu time spent up to now is 9.3 secs Computing kpt #: 226 total cpu time spent up to now is 9.3 secs Computing kpt #: 227 total cpu time spent up to now is 9.3 secs Computing kpt #: 228 total cpu time spent up to now is 9.3 secs Computing kpt #: 229 total cpu time spent up to now is 9.4 secs Computing kpt #: 230 total cpu time spent up to now is 9.4 secs Computing kpt #: 231 total cpu time spent up to now is 9.4 secs Computing kpt #: 232 total cpu time spent up to now is 9.5 secs Computing kpt #: 233 total cpu time spent up to now is 9.5 secs Computing kpt #: 234 total cpu time spent up to now is 9.5 secs Computing kpt #: 235 total cpu time spent up to now is 9.6 secs Computing kpt #: 236 total cpu time spent up to now is 9.7 secs Computing kpt #: 237 total cpu time spent up to now is 9.7 secs Computing kpt #: 238 total cpu time spent up to now is 9.7 secs Computing kpt #: 239 total cpu time spent up to now is 9.8 secs Computing kpt #: 240 total cpu time spent up to now is 9.8 secs Computing kpt #: 241 total cpu time spent up to now is 9.8 secs Computing kpt #: 242 total cpu time spent up to now is 9.9 secs Computing kpt #: 243 total cpu time spent up to now is 9.9 secs Computing kpt #: 244 total cpu time spent up to now is 9.9 secs Computing kpt #: 245 total cpu time spent up to now is 9.9 secs Computing kpt #: 246 total cpu time spent up to now is 10.0 secs Computing kpt #: 247 total cpu time spent up to now is 10.0 secs Computing kpt #: 248 total cpu time spent up to now is 10.0 secs Computing kpt #: 249 total cpu time spent up to now is 10.1 secs Computing kpt #: 250 total cpu time spent up to now is 10.1 secs Computing kpt #: 251 total cpu time spent up to now is 10.1 secs Computing kpt #: 252 total cpu time spent up to now is 10.2 secs Computing kpt #: 253 total cpu time spent up to now is 10.2 secs Computing kpt #: 254 total cpu time spent up to now is 10.2 secs Computing kpt #: 255 total cpu time spent up to now is 10.3 secs Computing kpt #: 256 total cpu time spent up to now is 10.3 secs Computing kpt #: 257 total cpu time spent up to now is 10.3 secs Computing kpt #: 258 total cpu time spent up to now is 10.4 secs Computing kpt #: 259 total cpu time spent up to now is 10.4 secs Computing kpt #: 260 total cpu time spent up to now is 10.5 secs Computing kpt #: 261 total cpu time spent up to now is 10.5 secs Computing kpt #: 262 total cpu time spent up to now is 10.5 secs Computing kpt #: 263 total cpu time spent up to now is 10.6 secs Computing kpt #: 264 total cpu time spent up to now is 10.6 secs Computing kpt #: 265 total cpu time spent up to now is 10.6 secs Computing kpt #: 266 total cpu time spent up to now is 10.7 secs Computing kpt #: 267 total cpu time spent up to now is 10.7 secs Computing kpt #: 268 total cpu time spent up to now is 10.7 secs Computing kpt #: 269 total cpu time spent up to now is 10.8 secs Computing kpt #: 270 total cpu time spent up to now is 10.8 secs Computing kpt #: 271 total cpu time spent up to now is 10.9 secs Computing kpt #: 272 total cpu time spent up to now is 10.9 secs Computing kpt #: 273 total cpu time spent up to now is 10.9 secs Computing kpt #: 274 total cpu time spent up to now is 11.0 secs Computing kpt #: 275 total cpu time spent up to now is 11.0 secs Computing kpt #: 276 total cpu time spent up to now is 11.1 secs Computing kpt #: 277 total cpu time spent up to now is 11.1 secs Computing kpt #: 278 total cpu time spent up to now is 11.1 secs Computing kpt #: 279 total cpu time spent up to now is 11.2 secs Computing kpt #: 280 total cpu time spent up to now is 11.2 secs Computing kpt #: 281 total cpu time spent up to now is 11.2 secs Computing kpt #: 282 total cpu time spent up to now is 11.3 secs Computing kpt #: 283 total cpu time spent up to now is 11.3 secs Computing kpt #: 284 total cpu time spent up to now is 11.3 secs Computing kpt #: 285 total cpu time spent up to now is 11.4 secs Computing kpt #: 286 total cpu time spent up to now is 11.4 secs Computing kpt #: 287 total cpu time spent up to now is 11.4 secs Computing kpt #: 288 total cpu time spent up to now is 11.5 secs Computing kpt #: 289 total cpu time spent up to now is 11.5 secs Computing kpt #: 290 total cpu time spent up to now is 11.5 secs Computing kpt #: 291 total cpu time spent up to now is 11.6 secs Computing kpt #: 292 total cpu time spent up to now is 11.6 secs Computing kpt #: 293 total cpu time spent up to now is 11.7 secs Computing kpt #: 294 total cpu time spent up to now is 11.7 secs Computing kpt #: 295 total cpu time spent up to now is 11.8 secs Computing kpt #: 296 total cpu time spent up to now is 11.8 secs Computing kpt #: 297 total cpu time spent up to now is 11.9 secs Computing kpt #: 298 total cpu time spent up to now is 12.0 secs Computing kpt #: 299 total cpu time spent up to now is 12.0 secs Computing kpt #: 300 total cpu time spent up to now is 12.1 secs Computing kpt #: 301 total cpu time spent up to now is 12.2 secs Computing kpt #: 302 total cpu time spent up to now is 12.3 secs Computing kpt #: 303 total cpu time spent up to now is 12.3 secs Computing kpt #: 304 total cpu time spent up to now is 12.3 secs Computing kpt #: 305 total cpu time spent up to now is 12.4 secs Computing kpt #: 306 total cpu time spent up to now is 12.4 secs Computing kpt #: 307 total cpu time spent up to now is 12.5 secs Computing kpt #: 308 total cpu time spent up to now is 12.5 secs Computing kpt #: 309 total cpu time spent up to now is 12.5 secs Computing kpt #: 310 total cpu time spent up to now is 12.6 secs Computing kpt #: 311 total cpu time spent up to now is 12.6 secs Computing kpt #: 312 total cpu time spent up to now is 12.6 secs Computing kpt #: 313 total cpu time spent up to now is 12.7 secs Computing kpt #: 314 total cpu time spent up to now is 12.7 secs Computing kpt #: 315 total cpu time spent up to now is 12.7 secs Computing kpt #: 316 total cpu time spent up to now is 12.8 secs Computing kpt #: 317 total cpu time spent up to now is 12.8 secs Computing kpt #: 318 total cpu time spent up to now is 12.8 secs Computing kpt #: 319 total cpu time spent up to now is 12.8 secs Computing kpt #: 320 total cpu time spent up to now is 12.9 secs Computing kpt #: 321 total cpu time spent up to now is 12.9 secs Computing kpt #: 322 total cpu time spent up to now is 12.9 secs Computing kpt #: 323 total cpu time spent up to now is 12.9 secs Computing kpt #: 324 total cpu time spent up to now is 13.0 secs Computing kpt #: 325 total cpu time spent up to now is 13.0 secs Computing kpt #: 326 total cpu time spent up to now is 13.0 secs Computing kpt #: 327 total cpu time spent up to now is 13.0 secs Computing kpt #: 328 total cpu time spent up to now is 13.1 secs Computing kpt #: 329 total cpu time spent up to now is 13.1 secs Computing kpt #: 330 total cpu time spent up to now is 13.1 secs Computing kpt #: 331 total cpu time spent up to now is 13.1 secs Computing kpt #: 332 total cpu time spent up to now is 13.2 secs Computing kpt #: 333 total cpu time spent up to now is 13.2 secs Computing kpt #: 334 total cpu time spent up to now is 13.2 secs Computing kpt #: 335 total cpu time spent up to now is 13.2 secs Computing kpt #: 336 total cpu time spent up to now is 13.2 secs Computing kpt #: 337 total cpu time spent up to now is 13.3 secs Computing kpt #: 338 total cpu time spent up to now is 13.3 secs Computing kpt #: 339 total cpu time spent up to now is 13.3 secs Computing kpt #: 340 total cpu time spent up to now is 13.3 secs Computing kpt #: 341 total cpu time spent up to now is 13.4 secs Computing kpt #: 342 total cpu time spent up to now is 13.4 secs Computing kpt #: 343 total cpu time spent up to now is 13.4 secs Computing kpt #: 344 total cpu time spent up to now is 13.4 secs Computing kpt #: 345 total cpu time spent up to now is 13.5 secs Computing kpt #: 346 total cpu time spent up to now is 13.5 secs Computing kpt #: 347 total cpu time spent up to now is 13.5 secs Computing kpt #: 348 total cpu time spent up to now is 13.5 secs Computing kpt #: 349 total cpu time spent up to now is 13.6 secs Computing kpt #: 350 total cpu time spent up to now is 13.6 secs Computing kpt #: 351 total cpu time spent up to now is 13.6 secs Computing kpt #: 352 total cpu time spent up to now is 13.6 secs Computing kpt #: 353 total cpu time spent up to now is 13.6 secs Computing kpt #: 354 total cpu time spent up to now is 13.7 secs Computing kpt #: 355 total cpu time spent up to now is 13.7 secs Computing kpt #: 356 total cpu time spent up to now is 13.7 secs Computing kpt #: 357 total cpu time spent up to now is 13.7 secs Computing kpt #: 358 total cpu time spent up to now is 13.8 secs Computing kpt #: 359 total cpu time spent up to now is 13.8 secs Computing kpt #: 360 total cpu time spent up to now is 13.8 secs Computing kpt #: 361 total cpu time spent up to now is 13.8 secs Computing kpt #: 362 total cpu time spent up to now is 13.9 secs Computing kpt #: 363 total cpu time spent up to now is 13.9 secs Computing kpt #: 364 total cpu time spent up to now is 13.9 secs Computing kpt #: 365 total cpu time spent up to now is 13.9 secs Computing kpt #: 366 total cpu time spent up to now is 13.9 secs Computing kpt #: 367 total cpu time spent up to now is 14.0 secs Computing kpt #: 368 total cpu time spent up to now is 14.0 secs Computing kpt #: 369 total cpu time spent up to now is 14.0 secs Computing kpt #: 370 total cpu time spent up to now is 14.0 secs Computing kpt #: 371 total cpu time spent up to now is 14.1 secs Computing kpt #: 372 total cpu time spent up to now is 14.1 secs Computing kpt #: 373 total cpu time spent up to now is 14.1 secs Computing kpt #: 374 total cpu time spent up to now is 14.1 secs Computing kpt #: 375 total cpu time spent up to now is 14.2 secs Computing kpt #: 376 total cpu time spent up to now is 14.2 secs Computing kpt #: 377 total cpu time spent up to now is 14.2 secs Computing kpt #: 378 total cpu time spent up to now is 14.2 secs Computing kpt #: 379 total cpu time spent up to now is 14.2 secs Computing kpt #: 380 total cpu time spent up to now is 14.3 secs Computing kpt #: 381 total cpu time spent up to now is 14.3 secs Computing kpt #: 382 total cpu time spent up to now is 14.3 secs Computing kpt #: 383 total cpu time spent up to now is 14.3 secs Computing kpt #: 384 total cpu time spent up to now is 14.4 secs Computing kpt #: 385 total cpu time spent up to now is 14.4 secs Computing kpt #: 386 total cpu time spent up to now is 14.4 secs Computing kpt #: 387 total cpu time spent up to now is 14.4 secs Computing kpt #: 388 total cpu time spent up to now is 14.5 secs Computing kpt #: 389 total cpu time spent up to now is 14.5 secs Computing kpt #: 390 total cpu time spent up to now is 14.5 secs Computing kpt #: 391 total cpu time spent up to now is 14.5 secs Computing kpt #: 392 total cpu time spent up to now is 14.6 secs Computing kpt #: 393 total cpu time spent up to now is 14.6 secs Computing kpt #: 394 total cpu time spent up to now is 14.6 secs Computing kpt #: 395 total cpu time spent up to now is 14.6 secs Computing kpt #: 396 total cpu time spent up to now is 14.7 secs Computing kpt #: 397 total cpu time spent up to now is 14.7 secs Computing kpt #: 398 total cpu time spent up to now is 14.7 secs Computing kpt #: 399 total cpu time spent up to now is 14.7 secs Computing kpt #: 400 total cpu time spent up to now is 14.8 secs Computing kpt #: 401 total cpu time spent up to now is 14.8 secs Computing kpt #: 402 total cpu time spent up to now is 14.8 secs Computing kpt #: 403 total cpu time spent up to now is 14.8 secs Computing kpt #: 404 total cpu time spent up to now is 14.9 secs Computing kpt #: 405 total cpu time spent up to now is 14.9 secs Computing kpt #: 406 total cpu time spent up to now is 14.9 secs Computing kpt #: 407 total cpu time spent up to now is 15.0 secs Computing kpt #: 408 total cpu time spent up to now is 15.0 secs Computing kpt #: 409 total cpu time spent up to now is 15.0 secs Computing kpt #: 410 total cpu time spent up to now is 15.0 secs Computing kpt #: 411 total cpu time spent up to now is 15.1 secs Computing kpt #: 412 total cpu time spent up to now is 15.1 secs Computing kpt #: 413 total cpu time spent up to now is 15.1 secs Computing kpt #: 414 total cpu time spent up to now is 15.2 secs Computing kpt #: 415 total cpu time spent up to now is 15.2 secs Computing kpt #: 416 total cpu time spent up to now is 15.2 secs Computing kpt #: 417 total cpu time spent up to now is 15.2 secs Computing kpt #: 418 total cpu time spent up to now is 15.3 secs Computing kpt #: 419 total cpu time spent up to now is 15.3 secs Computing kpt #: 420 total cpu time spent up to now is 15.3 secs Computing kpt #: 421 total cpu time spent up to now is 15.3 secs Computing kpt #: 422 total cpu time spent up to now is 15.4 secs Computing kpt #: 423 total cpu time spent up to now is 15.4 secs Computing kpt #: 424 total cpu time spent up to now is 15.4 secs Computing kpt #: 425 total cpu time spent up to now is 15.4 secs Computing kpt #: 426 total cpu time spent up to now is 15.5 secs Computing kpt #: 427 total cpu time spent up to now is 15.5 secs Computing kpt #: 428 total cpu time spent up to now is 15.5 secs Computing kpt #: 429 total cpu time spent up to now is 15.5 secs Computing kpt #: 430 total cpu time spent up to now is 15.6 secs Computing kpt #: 431 total cpu time spent up to now is 15.6 secs Computing kpt #: 432 total cpu time spent up to now is 15.6 secs Computing kpt #: 433 total cpu time spent up to now is 15.6 secs Computing kpt #: 434 total cpu time spent up to now is 15.7 secs Computing kpt #: 435 total cpu time spent up to now is 15.7 secs Computing kpt #: 436 total cpu time spent up to now is 15.7 secs Computing kpt #: 437 total cpu time spent up to now is 15.7 secs Computing kpt #: 438 total cpu time spent up to now is 15.8 secs Computing kpt #: 439 total cpu time spent up to now is 15.8 secs Computing kpt #: 440 total cpu time spent up to now is 15.8 secs Computing kpt #: 441 total cpu time spent up to now is 15.8 secs Computing kpt #: 442 total cpu time spent up to now is 15.9 secs Computing kpt #: 443 total cpu time spent up to now is 15.9 secs Computing kpt #: 444 total cpu time spent up to now is 15.9 secs Computing kpt #: 445 total cpu time spent up to now is 15.9 secs Computing kpt #: 446 total cpu time spent up to now is 16.0 secs Computing kpt #: 447 total cpu time spent up to now is 16.0 secs Computing kpt #: 448 total cpu time spent up to now is 16.0 secs Computing kpt #: 449 total cpu time spent up to now is 16.0 secs Computing kpt #: 450 total cpu time spent up to now is 16.1 secs Computing kpt #: 451 total cpu time spent up to now is 16.1 secs Computing kpt #: 452 total cpu time spent up to now is 16.1 secs Computing kpt #: 453 total cpu time spent up to now is 16.2 secs Computing kpt #: 454 total cpu time spent up to now is 16.2 secs Computing kpt #: 455 total cpu time spent up to now is 16.2 secs Computing kpt #: 456 total cpu time spent up to now is 16.3 secs Computing kpt #: 457 total cpu time spent up to now is 16.3 secs Computing kpt #: 458 total cpu time spent up to now is 16.3 secs Computing kpt #: 459 total cpu time spent up to now is 16.3 secs Computing kpt #: 460 total cpu time spent up to now is 16.4 secs Computing kpt #: 461 total cpu time spent up to now is 16.4 secs Computing kpt #: 462 total cpu time spent up to now is 16.4 secs Computing kpt #: 463 total cpu time spent up to now is 16.4 secs Computing kpt #: 464 total cpu time spent up to now is 16.5 secs Computing kpt #: 465 total cpu time spent up to now is 16.5 secs Computing kpt #: 466 total cpu time spent up to now is 16.5 secs Computing kpt #: 467 total cpu time spent up to now is 16.5 secs Computing kpt #: 468 total cpu time spent up to now is 16.6 secs Computing kpt #: 469 total cpu time spent up to now is 16.6 secs Computing kpt #: 470 total cpu time spent up to now is 16.6 secs Computing kpt #: 471 total cpu time spent up to now is 16.6 secs Computing kpt #: 472 total cpu time spent up to now is 16.7 secs Computing kpt #: 473 total cpu time spent up to now is 16.7 secs Computing kpt #: 474 total cpu time spent up to now is 16.7 secs Computing kpt #: 475 total cpu time spent up to now is 16.7 secs Computing kpt #: 476 total cpu time spent up to now is 16.7 secs Computing kpt #: 477 total cpu time spent up to now is 16.8 secs Computing kpt #: 478 total cpu time spent up to now is 16.8 secs Computing kpt #: 479 total cpu time spent up to now is 16.8 secs Computing kpt #: 480 total cpu time spent up to now is 16.8 secs Computing kpt #: 481 total cpu time spent up to now is 16.9 secs Computing kpt #: 482 total cpu time spent up to now is 16.9 secs Computing kpt #: 483 total cpu time spent up to now is 16.9 secs Computing kpt #: 484 total cpu time spent up to now is 16.9 secs Computing kpt #: 485 total cpu time spent up to now is 17.0 secs Computing kpt #: 486 total cpu time spent up to now is 17.0 secs Computing kpt #: 487 total cpu time spent up to now is 17.0 secs Computing kpt #: 488 total cpu time spent up to now is 17.1 secs Computing kpt #: 489 total cpu time spent up to now is 17.1 secs Computing kpt #: 490 total cpu time spent up to now is 17.1 secs Computing kpt #: 491 total cpu time spent up to now is 17.2 secs Computing kpt #: 492 total cpu time spent up to now is 17.2 secs Computing kpt #: 493 total cpu time spent up to now is 17.2 secs Computing kpt #: 494 total cpu time spent up to now is 17.2 secs Computing kpt #: 495 total cpu time spent up to now is 17.3 secs Computing kpt #: 496 total cpu time spent up to now is 17.3 secs Computing kpt #: 497 total cpu time spent up to now is 17.3 secs Computing kpt #: 498 total cpu time spent up to now is 17.3 secs Computing kpt #: 499 total cpu time spent up to now is 17.4 secs Computing kpt #: 500 total cpu time spent up to now is 17.4 secs Computing kpt #: 501 total cpu time spent up to now is 17.4 secs Computing kpt #: 502 total cpu time spent up to now is 17.4 secs Computing kpt #: 503 total cpu time spent up to now is 17.4 secs Computing kpt #: 504 total cpu time spent up to now is 17.5 secs Computing kpt #: 505 total cpu time spent up to now is 17.5 secs Computing kpt #: 506 total cpu time spent up to now is 17.5 secs Computing kpt #: 507 total cpu time spent up to now is 17.5 secs Computing kpt #: 508 total cpu time spent up to now is 17.6 secs Computing kpt #: 509 total cpu time spent up to now is 17.6 secs Computing kpt #: 510 total cpu time spent up to now is 17.6 secs Computing kpt #: 511 total cpu time spent up to now is 17.6 secs Computing kpt #: 512 total cpu time spent up to now is 17.7 secs Computing kpt #: 513 total cpu time spent up to now is 17.7 secs Computing kpt #: 514 total cpu time spent up to now is 17.7 secs Computing kpt #: 515 total cpu time spent up to now is 17.7 secs Computing kpt #: 516 total cpu time spent up to now is 17.8 secs Computing kpt #: 517 total cpu time spent up to now is 17.8 secs Computing kpt #: 518 total cpu time spent up to now is 17.8 secs Computing kpt #: 519 total cpu time spent up to now is 17.8 secs Computing kpt #: 520 total cpu time spent up to now is 17.9 secs Computing kpt #: 521 total cpu time spent up to now is 17.9 secs Computing kpt #: 522 total cpu time spent up to now is 17.9 secs Computing kpt #: 523 total cpu time spent up to now is 18.0 secs Computing kpt #: 524 total cpu time spent up to now is 18.0 secs Computing kpt #: 525 total cpu time spent up to now is 18.0 secs Computing kpt #: 526 total cpu time spent up to now is 18.1 secs Computing kpt #: 527 total cpu time spent up to now is 18.1 secs Computing kpt #: 528 total cpu time spent up to now is 18.1 secs Computing kpt #: 529 total cpu time spent up to now is 18.2 secs Computing kpt #: 530 total cpu time spent up to now is 18.2 secs Computing kpt #: 531 total cpu time spent up to now is 18.2 secs Computing kpt #: 532 total cpu time spent up to now is 18.3 secs Computing kpt #: 533 total cpu time spent up to now is 18.3 secs Computing kpt #: 534 total cpu time spent up to now is 18.3 secs Computing kpt #: 535 total cpu time spent up to now is 18.3 secs Computing kpt #: 536 total cpu time spent up to now is 18.4 secs Computing kpt #: 537 total cpu time spent up to now is 18.4 secs Computing kpt #: 538 total cpu time spent up to now is 18.4 secs Computing kpt #: 539 total cpu time spent up to now is 18.5 secs Computing kpt #: 540 total cpu time spent up to now is 18.5 secs Computing kpt #: 541 total cpu time spent up to now is 18.5 secs Computing kpt #: 542 total cpu time spent up to now is 18.6 secs Computing kpt #: 543 total cpu time spent up to now is 18.6 secs Computing kpt #: 544 total cpu time spent up to now is 18.6 secs Computing kpt #: 545 total cpu time spent up to now is 18.7 secs Computing kpt #: 546 total cpu time spent up to now is 18.7 secs Computing kpt #: 547 total cpu time spent up to now is 18.7 secs Computing kpt #: 548 total cpu time spent up to now is 18.8 secs Computing kpt #: 549 total cpu time spent up to now is 18.8 secs Computing kpt #: 550 total cpu time spent up to now is 18.8 secs Computing kpt #: 551 total cpu time spent up to now is 18.9 secs Computing kpt #: 552 total cpu time spent up to now is 18.9 secs Computing kpt #: 553 total cpu time spent up to now is 18.9 secs Computing kpt #: 554 total cpu time spent up to now is 19.0 secs Computing kpt #: 555 total cpu time spent up to now is 19.0 secs Computing kpt #: 556 total cpu time spent up to now is 19.0 secs Computing kpt #: 557 total cpu time spent up to now is 19.0 secs Computing kpt #: 558 total cpu time spent up to now is 19.1 secs Computing kpt #: 559 total cpu time spent up to now is 19.1 secs Computing kpt #: 560 total cpu time spent up to now is 19.1 secs Computing kpt #: 561 total cpu time spent up to now is 19.2 secs Computing kpt #: 562 total cpu time spent up to now is 19.2 secs Computing kpt #: 563 total cpu time spent up to now is 19.2 secs Computing kpt #: 564 total cpu time spent up to now is 19.2 secs Computing kpt #: 565 total cpu time spent up to now is 19.3 secs Computing kpt #: 566 total cpu time spent up to now is 19.3 secs Computing kpt #: 567 total cpu time spent up to now is 19.3 secs Computing kpt #: 568 total cpu time spent up to now is 19.3 secs Computing kpt #: 569 total cpu time spent up to now is 19.4 secs Computing kpt #: 570 total cpu time spent up to now is 19.4 secs Computing kpt #: 571 total cpu time spent up to now is 19.4 secs Computing kpt #: 572 total cpu time spent up to now is 19.4 secs Computing kpt #: 573 total cpu time spent up to now is 19.4 secs Computing kpt #: 574 total cpu time spent up to now is 19.5 secs Computing kpt #: 575 total cpu time spent up to now is 19.5 secs Computing kpt #: 576 total cpu time spent up to now is 19.5 secs Computing kpt #: 577 total cpu time spent up to now is 19.5 secs Computing kpt #: 578 total cpu time spent up to now is 19.6 secs Computing kpt #: 579 total cpu time spent up to now is 19.6 secs Computing kpt #: 580 total cpu time spent up to now is 19.6 secs Computing kpt #: 581 total cpu time spent up to now is 19.6 secs Computing kpt #: 582 total cpu time spent up to now is 19.7 secs ethr = 2.50E-07, avg # of iterations = 9.9 total cpu time spent up to now is 19.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9170 -2.9170 27.4754 27.4754 27.4813 27.4813 27.4813 27.4813 38.6582 38.6582 k = 0.0040-0.0029 0.0049 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9159 -2.9159 27.4715 27.4715 27.4767 27.4767 27.4787 27.4787 38.6454 38.6454 k = 0.0081-0.0057 0.0099 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9125 -2.9125 27.4583 27.4583 27.4628 27.4628 27.4722 27.4722 38.6081 38.6082 k = 0.0121-0.0086 0.0148 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9069 -2.9069 27.4356 27.4356 27.4398 27.4398 27.4623 27.4623 38.5493 38.5493 k = 0.0161-0.0114 0.0198 ( 675 PWs) bands (ev): -92.1177 -92.1177 -2.8991 -2.8991 27.4035 27.4035 27.4076 27.4076 27.4489 27.4489 38.4730 38.4730 k = 0.0202-0.0143 0.0247 ( 679 PWs) bands (ev): -92.1177 -92.1177 -2.8891 -2.8891 27.3623 27.3623 27.3663 27.3663 27.4318 27.4318 38.3836 38.3836 k = 0.0242-0.0171 0.0296 ( 679 PWs) bands (ev): -92.1176 -92.1176 -2.8768 -2.8768 27.3121 27.3121 27.3160 27.3160 27.4111 27.4111 38.2853 38.2853 k = 0.0282-0.0200 0.0346 ( 679 PWs) bands (ev): -92.1175 -92.1175 -2.8623 -2.8623 27.2529 27.2529 27.2568 27.2568 27.3870 27.3870 38.1817 38.1818 k = 0.0323-0.0228 0.0395 ( 679 PWs) bands (ev): -92.1174 -92.1174 -2.8455 -2.8455 27.1850 27.1850 27.1888 27.1888 27.3595 27.3595 38.0761 38.0761 k = 0.0363-0.0257 0.0444 ( 679 PWs) bands (ev): -92.1173 -92.1173 -2.8265 -2.8265 27.1084 27.1084 27.1122 27.1122 27.3289 27.3289 37.9707 37.9708 k = 0.0403-0.0285 0.0494 ( 679 PWs) bands (ev): -92.1172 -92.1172 -2.8053 -2.8053 27.0235 27.0235 27.0272 27.0272 27.2951 27.2951 37.8675 37.8676 k = 0.0444-0.0314 0.0543 ( 679 PWs) bands (ev): -92.1170 -92.1170 -2.7818 -2.7818 26.9302 26.9302 26.9339 26.9339 27.2585 27.2585 37.6729 37.6729 k = 0.0484-0.0342 0.0593 ( 679 PWs) bands (ev): -92.1169 -92.1169 -2.7561 -2.7561 26.8290 26.8290 26.8327 26.8327 27.2191 27.2191 37.3377 37.3377 k = 0.0524-0.0371 0.0642 ( 679 PWs) bands (ev): -92.1167 -92.1167 -2.7281 -2.7281 26.7200 26.7200 26.7236 26.7236 27.1772 27.1772 37.0052 37.0052 k = 0.0565-0.0399 0.0691 ( 679 PWs) bands (ev): -92.1165 -92.1165 -2.6979 -2.6979 26.6036 26.6036 26.6071 26.6071 27.1330 27.1330 36.6754 36.6754 k = 0.0605-0.0428 0.0741 ( 679 PWs) bands (ev): -92.1163 -92.1163 -2.6655 -2.6655 26.4799 26.4799 26.4834 26.4834 27.0866 27.0866 36.3484 36.3484 k = 0.0645-0.0456 0.0790 ( 679 PWs) bands (ev): -92.1161 -92.1161 -2.6308 -2.6308 26.3494 26.3494 26.3529 26.3529 27.0382 27.0382 36.0242 36.0242 k = 0.0685-0.0485 0.0840 ( 679 PWs) bands (ev): -92.1159 -92.1159 -2.5939 -2.5939 26.2124 26.2124 26.2158 26.2158 26.9880 26.9880 35.7028 35.7028 k = 0.0726-0.0513 0.0889 ( 671 PWs) bands (ev): -92.1157 -92.1157 -2.5547 -2.5547 26.0692 26.0692 26.0726 26.0726 26.9363 26.9363 35.3844 35.3844 k = 0.0766-0.0542 0.0938 ( 671 PWs) bands (ev): -92.1154 -92.1154 -2.5132 -2.5132 25.9202 25.9202 25.9235 25.9235 26.8831 26.8831 35.0688 35.0688 k = 0.0806-0.0570 0.0988 ( 671 PWs) bands (ev): -92.1152 -92.1152 -2.4695 -2.4695 25.7657 25.7657 25.7690 25.7690 26.8287 26.8287 34.7562 34.7562 k = 0.0847-0.0599 0.1037 ( 675 PWs) bands (ev): -92.1149 -92.1149 -2.4236 -2.4236 25.6062 25.6062 25.6094 25.6094 26.7732 26.7732 34.4465 34.4465 k = 0.0887-0.0627 0.1086 ( 675 PWs) bands (ev): -92.1147 -92.1147 -2.3753 -2.3753 25.4419 25.4419 25.4451 25.4451 26.7168 26.7168 34.1397 34.1397 k = 0.0927-0.0656 0.1136 ( 675 PWs) bands (ev): -92.1144 -92.1144 -2.3249 -2.3249 25.2733 25.2733 25.2764 25.2764 26.6597 26.6597 33.8358 33.8358 k = 0.0968-0.0684 0.1185 ( 675 PWs) bands (ev): -92.1141 -92.1141 -2.2721 -2.2721 25.1007 25.1007 25.1037 25.1037 26.6021 26.6021 33.5349 33.5349 k = 0.1008-0.0713 0.1235 ( 675 PWs) bands (ev): -92.1138 -92.1138 -2.2171 -2.2171 24.9245 24.9245 24.9275 24.9275 26.5440 26.5440 33.2370 33.2370 k = 0.1048-0.0741 0.1284 ( 675 PWs) bands (ev): -92.1135 -92.1135 -2.1598 -2.1598 24.7450 24.7450 24.7479 24.7479 26.4858 26.4858 32.9420 32.9420 k = 0.1089-0.0770 0.1333 ( 675 PWs) bands (ev): -92.1131 -92.1131 -2.1003 -2.1003 24.5625 24.5625 24.5654 24.5654 26.4274 26.4274 32.6499 32.6499 k = 0.1129-0.0798 0.1383 ( 675 PWs) bands (ev): -92.1128 -92.1128 -2.0385 -2.0385 24.3774 24.3774 24.3803 24.3803 26.3691 26.3691 32.3609 32.3609 k = 0.1169-0.0827 0.1432 ( 675 PWs) bands (ev): -92.1125 -92.1125 -1.9744 -1.9744 24.1900 24.1900 24.1928 24.1928 26.3109 26.3109 32.0748 32.0748 k = 0.1210-0.0855 0.1482 ( 687 PWs) bands (ev): -92.1121 -92.1121 -1.9080 -1.9080 24.0006 24.0006 24.0033 24.0033 26.2530 26.2530 31.7916 31.7916 k = 0.1250-0.0884 0.1531 ( 687 PWs) bands (ev): -92.1118 -92.1118 -1.8393 -1.8393 23.8095 23.8095 23.8122 23.8122 26.1955 26.1955 31.5115 31.5115 k = 0.1290-0.0912 0.1580 ( 687 PWs) bands (ev): -92.1114 -92.1114 -1.7683 -1.7683 23.6169 23.6169 23.6195 23.6195 26.1385 26.1385 31.2343 31.2343 k = 0.1331-0.0941 0.1630 ( 687 PWs) bands (ev): -92.1110 -92.1110 -1.6951 -1.6951 23.4231 23.4231 23.4257 23.4257 26.0822 26.0822 30.9601 30.9601 k = 0.1371-0.0969 0.1679 ( 679 PWs) bands (ev): -92.1106 -92.1106 -1.6195 -1.6195 23.2283 23.2283 23.2309 23.2309 26.0267 26.0267 30.6889 30.6889 k = 0.1411-0.0998 0.1728 ( 679 PWs) bands (ev): -92.1102 -92.1102 -1.5417 -1.5417 23.0328 23.0328 23.0354 23.0354 25.9718 25.9718 30.4206 30.4206 k = 0.1452-0.1026 0.1778 ( 679 PWs) bands (ev): -92.1098 -92.1098 -1.4615 -1.4615 22.8368 22.8368 22.8393 22.8393 25.9178 25.9178 30.1554 30.1554 k = 0.1492-0.1055 0.1827 ( 679 PWs) bands (ev): -92.1094 -92.1094 -1.3791 -1.3791 22.6405 22.6405 22.6430 22.6430 25.8647 25.8647 29.8931 29.8931 k = 0.1532-0.1083 0.1877 ( 683 PWs) bands (ev): -92.1090 -92.1090 -1.2943 -1.2943 22.4440 22.4440 22.4465 22.4465 25.8128 25.8128 29.6338 29.6338 k = 0.1573-0.1112 0.1926 ( 683 PWs) bands (ev): -92.1086 -92.1086 -1.2073 -1.2073 22.2476 22.2476 22.2500 22.2500 25.7618 25.7618 29.3775 29.3775 k = 0.1613-0.1140 0.1975 ( 683 PWs) bands (ev): -92.1082 -92.1082 -1.1179 -1.1179 22.0515 22.0515 22.0538 22.0538 25.7120 25.7120 29.1242 29.1242 k = 0.1653-0.1169 0.2025 ( 683 PWs) bands (ev): -92.1078 -92.1078 -1.0262 -1.0262 21.8557 21.8557 21.8580 21.8580 25.6634 25.6634 28.8739 28.8739 k = 0.1694-0.1198 0.2074 ( 683 PWs) bands (ev): -92.1073 -92.1073 -0.9322 -0.9322 21.6604 21.6604 21.6627 21.6627 25.6160 25.6160 28.6265 28.6265 k = 0.1734-0.1226 0.2124 ( 683 PWs) bands (ev): -92.1069 -92.1069 -0.8358 -0.8358 21.4658 21.4658 21.4681 21.4681 25.5699 25.5699 28.3822 28.3822 k = 0.1774-0.1255 0.2173 ( 683 PWs) bands (ev): -92.1064 -92.1064 -0.7371 -0.7371 21.2720 21.2720 21.2743 21.2743 25.5252 25.5252 28.1408 28.1408 k = 0.1815-0.1283 0.2222 ( 683 PWs) bands (ev): -92.1060 -92.1060 -0.6361 -0.6361 21.0792 21.0792 21.0814 21.0814 25.4818 25.4818 27.9024 27.9025 k = 0.1855-0.1312 0.2272 ( 687 PWs) bands (ev): -92.1056 -92.1056 -0.5328 -0.5328 20.8873 20.8873 20.8895 20.8895 25.4398 25.4398 27.6671 27.6671 k = 0.1895-0.1340 0.2321 ( 687 PWs) bands (ev): -92.1051 -92.1051 -0.4271 -0.4271 20.6966 20.6966 20.6987 20.6987 25.3992 25.3992 27.4347 27.4347 k = 0.1935-0.1369 0.2370 ( 687 PWs) bands (ev): -92.1046 -92.1046 -0.3191 -0.3191 20.5071 20.5071 20.5092 20.5092 25.3600 25.3600 27.2053 27.2053 k = 0.1976-0.1397 0.2420 ( 687 PWs) bands (ev): -92.1042 -92.1042 -0.2087 -0.2087 20.3189 20.3189 20.3211 20.3211 25.3223 25.3223 26.9789 26.9789 k = 0.2016-0.1426 0.2469 ( 687 PWs) bands (ev): -92.1037 -92.1037 -0.0960 -0.0960 20.1322 20.1322 20.1343 20.1343 25.2861 25.2861 26.7555 26.7555 k = 0.2056-0.1454 0.2519 ( 687 PWs) bands (ev): -92.1033 -92.1033 0.0191 0.0191 19.9470 19.9470 19.9490 19.9490 25.2513 25.2513 26.5351 26.5351 k = 0.2097-0.1483 0.2568 ( 695 PWs) bands (ev): -92.1028 -92.1028 0.1365 0.1365 19.7633 19.7633 19.7653 19.7653 25.2179 25.2179 26.3176 26.3176 k = 0.2137-0.1511 0.2617 ( 695 PWs) bands (ev): -92.1023 -92.1023 0.2563 0.2563 19.5812 19.5812 19.5833 19.5833 25.1861 25.1861 26.1032 26.1032 k = 0.2177-0.1540 0.2667 ( 695 PWs) bands (ev): -92.1019 -92.1019 0.3785 0.3785 19.4009 19.4009 19.4029 19.4029 25.1558 25.1558 25.8918 25.8918 k = 0.2218-0.1568 0.2716 ( 695 PWs) bands (ev): -92.1014 -92.1014 0.5030 0.5030 19.2224 19.2224 19.2244 19.2244 25.1269 25.1269 25.6833 25.6833 k = 0.2258-0.1597 0.2766 ( 695 PWs) bands (ev): -92.1009 -92.1009 0.6299 0.6299 19.0456 19.0456 19.0476 19.0476 25.0995 25.0995 25.4779 25.4779 k = 0.2298-0.1625 0.2815 ( 695 PWs) bands (ev): -92.1005 -92.1005 0.7591 0.7591 18.8708 18.8708 18.8728 18.8728 25.0736 25.0736 25.2755 25.2755 k = 0.2339-0.1654 0.2864 ( 703 PWs) bands (ev): -92.1000 -92.1000 0.8907 0.8907 18.6979 18.6979 18.6999 18.6999 25.0490 25.0490 25.0760 25.0760 k = 0.2379-0.1682 0.2914 ( 703 PWs) bands (ev): -92.0996 -92.0996 1.0247 1.0247 18.5270 18.5270 18.5290 18.5290 24.8796 24.8796 25.0258 25.0258 k = 0.2419-0.1711 0.2963 ( 703 PWs) bands (ev): -92.0991 -92.0991 1.1611 1.1611 18.3582 18.3582 18.3601 18.3601 24.6861 24.6861 25.0041 25.0041 k = 0.2460-0.1739 0.3012 ( 703 PWs) bands (ev): -92.0986 -92.0986 1.2999 1.2999 18.1914 18.1914 18.1933 18.1933 24.4956 24.4956 24.9837 24.9837 k = 0.2500-0.1768 0.3062 ( 703 PWs) bands (ev): -92.0982 -92.0982 1.4410 1.4410 18.0267 18.0267 18.0286 18.0286 24.3082 24.3082 24.9646 24.9646 k = 0.2540-0.1796 0.3111 ( 703 PWs) bands (ev): -92.0977 -92.0977 1.5845 1.5845 17.8642 17.8642 17.8661 17.8661 24.1237 24.1237 24.9468 24.9468 k = 0.2581-0.1825 0.3161 ( 703 PWs) bands (ev): -92.0973 -92.0973 1.7304 1.7304 17.7039 17.7039 17.7058 17.7058 23.9422 23.9422 24.9303 24.9303 k = 0.2621-0.1853 0.3210 ( 703 PWs) bands (ev): -92.0968 -92.0968 1.8787 1.8787 17.5459 17.5459 17.5477 17.5477 23.7637 23.7637 24.9149 24.9149 k = 0.2661-0.1882 0.3259 ( 703 PWs) bands (ev): -92.0963 -92.0963 2.0294 2.0294 17.3900 17.3900 17.3919 17.3919 23.5883 23.5883 24.9007 24.9007 k = 0.2702-0.1910 0.3309 ( 703 PWs) bands (ev): -92.0959 -92.0959 2.1824 2.1824 17.2365 17.2365 17.2383 17.2383 23.4158 23.4158 24.8876 24.8876 k = 0.2742-0.1939 0.3358 ( 695 PWs) bands (ev): -92.0954 -92.0954 2.3379 2.3379 17.0853 17.0853 17.0871 17.0871 23.2463 23.2463 24.8758 24.8758 k = 0.2782-0.1967 0.3408 ( 699 PWs) bands (ev): -92.0950 -92.0950 2.4957 2.4957 16.9364 16.9364 16.9382 16.9382 23.0798 23.0798 24.8646 24.8646 k = 0.2823-0.1996 0.3457 ( 699 PWs) bands (ev): -92.0946 -92.0946 2.6559 2.6559 16.7900 16.7900 16.7917 16.7917 22.9163 22.9163 24.8543 24.8543 k = 0.2863-0.2024 0.3506 ( 699 PWs) bands (ev): -92.0941 -92.0941 2.8185 2.8185 16.6459 16.6459 16.6476 16.6476 22.7558 22.7558 24.8448 24.8448 k = 0.2903-0.2053 0.3556 ( 703 PWs) bands (ev): -92.0937 -92.0937 2.9834 2.9834 16.5042 16.5042 16.5060 16.5060 22.5983 22.5983 24.8360 24.8360 k = 0.2944-0.2081 0.3605 ( 703 PWs) bands (ev): -92.0933 -92.0933 3.1507 3.1507 16.3650 16.3650 16.3667 16.3667 22.4438 22.4438 24.8278 24.8278 k = 0.2984-0.2110 0.3654 ( 703 PWs) bands (ev): -92.0929 -92.0929 3.3204 3.3204 16.2282 16.2282 16.2299 16.2299 22.2923 22.2923 24.8201 24.8201 k = 0.3024-0.2138 0.3704 ( 703 PWs) bands (ev): -92.0924 -92.0924 3.4924 3.4924 16.0939 16.0939 16.0956 16.0956 22.1438 22.1438 24.8128 24.8128 k = 0.3065-0.2167 0.3753 ( 699 PWs) bands (ev): -92.0920 -92.0920 3.6668 3.6668 15.9621 15.9621 15.9638 15.9638 21.9983 21.9983 24.8059 24.8059 k = 0.3105-0.2195 0.3803 ( 699 PWs) bands (ev): -92.0916 -92.0916 3.8435 3.8435 15.8329 15.8329 15.8346 15.8346 21.8558 21.8558 24.7989 24.7989 k = 0.3145-0.2224 0.3852 ( 699 PWs) bands (ev): -92.0912 -92.0912 4.0226 4.0226 15.7061 15.7061 15.7078 15.7078 21.7163 21.7163 24.7918 24.7918 k = 0.3185-0.2252 0.3901 ( 699 PWs) bands (ev): -92.0908 -92.0908 4.2040 4.2040 15.5819 15.5819 15.5836 15.5836 21.5798 21.5798 24.7844 24.7844 k = 0.3226-0.2281 0.3951 ( 691 PWs) bands (ev): -92.0904 -92.0904 4.3877 4.3877 15.4603 15.4603 15.4620 15.4620 21.4463 21.4463 24.7768 24.7768 k = 0.3266-0.2310 0.4000 ( 691 PWs) bands (ev): -92.0901 -92.0901 4.5737 4.5737 15.3413 15.3413 15.3430 15.3430 21.3158 21.3158 24.7681 24.7681 k = 0.3306-0.2338 0.4050 ( 683 PWs) bands (ev): -92.0897 -92.0897 4.7619 4.7619 15.2248 15.2248 15.2265 15.2265 21.1883 21.1883 24.7587 24.7587 k = 0.3347-0.2367 0.4099 ( 683 PWs) bands (ev): -92.0893 -92.0893 4.9525 4.9525 15.1110 15.1110 15.1126 15.1126 21.0638 21.0638 24.7475 24.7475 k = 0.3387-0.2395 0.4148 ( 691 PWs) bands (ev): -92.0890 -92.0890 5.1453 5.1453 14.9997 14.9997 15.0014 15.0014 20.9423 20.9423 24.7341 24.7341 k = 0.3427-0.2424 0.4198 ( 691 PWs) bands (ev): -92.0886 -92.0886 5.3403 5.3403 14.8911 14.8911 14.8928 14.8928 20.8238 20.8238 24.7187 24.7187 k = 0.3468-0.2452 0.4247 ( 691 PWs) bands (ev): -92.0883 -92.0883 5.5375 5.5375 14.7852 14.7852 14.7868 14.7868 20.7083 20.7083 24.7004 24.7004 k = 0.3508-0.2481 0.4296 ( 691 PWs) bands (ev): -92.0879 -92.0879 5.7369 5.7369 14.6818 14.6818 14.6835 14.6835 20.5958 20.5958 24.6785 24.6785 k = 0.3548-0.2509 0.4346 ( 691 PWs) bands (ev): -92.0876 -92.0876 5.9384 5.9384 14.5812 14.5812 14.5828 14.5828 20.4863 20.4863 24.6522 24.6522 k = 0.3589-0.2538 0.4395 ( 691 PWs) bands (ev): -92.0873 -92.0873 6.1421 6.1421 14.4832 14.4832 14.4848 14.4848 20.3798 20.3798 24.6206 24.6206 k = 0.3629-0.2566 0.4445 ( 691 PWs) bands (ev): -92.0870 -92.0870 6.3478 6.3478 14.3879 14.3879 14.3895 14.3895 20.2763 20.2763 24.5824 24.5824 k = 0.3669-0.2595 0.4494 ( 691 PWs) bands (ev): -92.0867 -92.0867 6.5555 6.5555 14.2952 14.2952 14.2968 14.2968 20.1757 20.1757 24.5364 24.5364 k = 0.3710-0.2623 0.4543 ( 699 PWs) bands (ev): -92.0864 -92.0864 6.7652 6.7652 14.2053 14.2053 14.2069 14.2069 20.0782 20.0782 24.4805 24.4805 k = 0.3750-0.2652 0.4593 ( 699 PWs) bands (ev): -92.0861 -92.0861 6.9768 6.9768 14.1180 14.1180 14.1196 14.1196 19.9837 19.9837 24.4136 24.4136 k = 0.3790-0.2680 0.4642 ( 699 PWs) bands (ev): -92.0858 -92.0858 7.1902 7.1902 14.0335 14.0335 14.0351 14.0351 19.8922 19.8922 24.3333 24.3333 k = 0.3831-0.2709 0.4692 ( 695 PWs) bands (ev): -92.0855 -92.0855 7.4054 7.4054 13.9517 13.9517 13.9533 13.9533 19.8037 19.8037 24.2376 24.2376 k = 0.3871-0.2737 0.4741 ( 695 PWs) bands (ev): -92.0852 -92.0852 7.6223 7.6223 13.8726 13.8726 13.8742 13.8742 19.7182 19.7182 24.1244 24.1244 k = 0.3911-0.2766 0.4790 ( 691 PWs) bands (ev): -92.0850 -92.0850 7.8408 7.8408 13.7962 13.7962 13.7978 13.7978 19.6357 19.6357 23.9920 23.9920 k = 0.3952-0.2794 0.4840 ( 691 PWs) bands (ev): -92.0847 -92.0847 8.0608 8.0608 13.7226 13.7226 13.7241 13.7241 19.5562 19.5562 23.8393 23.8393 k = 0.3992-0.2823 0.4889 ( 691 PWs) bands (ev): -92.0845 -92.0845 8.2822 8.2822 13.6517 13.6517 13.6532 13.6532 19.4797 19.4797 23.6662 23.6662 k = 0.4032-0.2851 0.4938 ( 691 PWs) bands (ev): -92.0843 -92.0843 8.5048 8.5048 13.5835 13.5835 13.5851 13.5851 19.4061 19.4061 23.4734 23.4734 k = 0.4073-0.2880 0.4988 ( 691 PWs) bands (ev): -92.0840 -92.0840 8.7284 8.7284 13.5181 13.5181 13.5196 13.5196 19.3356 19.3356 23.2625 23.2625 k = 0.4113-0.2908 0.5037 ( 691 PWs) bands (ev): -92.0838 -92.0838 8.9529 8.9529 13.4554 13.4554 13.4570 13.4570 19.2681 19.2681 23.0358 23.0358 k = 0.4153-0.2937 0.5087 ( 691 PWs) bands (ev): -92.0836 -92.0836 9.1781 9.1781 13.3955 13.3955 13.3971 13.3971 19.2036 19.2036 22.7957 22.7957 k = 0.4194-0.2965 0.5136 ( 691 PWs) bands (ev): -92.0834 -92.0834 9.4037 9.4037 13.3384 13.3384 13.3399 13.3399 19.1421 19.1421 22.5450 22.5450 k = 0.4234-0.2994 0.5185 ( 691 PWs) bands (ev): -92.0832 -92.0832 9.6294 9.6294 13.2840 13.2840 13.2855 13.2855 19.0836 19.0836 22.2864 22.2864 k = 0.4274-0.3022 0.5235 ( 691 PWs) bands (ev): -92.0831 -92.0831 9.8549 9.8549 13.2324 13.2324 13.2339 13.2339 19.0281 19.0281 22.0222 22.0222 k = 0.4315-0.3051 0.5284 ( 691 PWs) bands (ev): -92.0829 -92.0829 10.0798 10.0798 13.1835 13.1835 13.1851 13.1851 18.9756 18.9756 21.7547 21.7547 k = 0.4355-0.3079 0.5334 ( 691 PWs) bands (ev): -92.0827 -92.0827 10.3036 10.3036 13.1375 13.1375 13.1390 13.1390 18.9261 18.9261 21.4858 21.4858 k = 0.4395-0.3108 0.5383 ( 691 PWs) bands (ev): -92.0826 -92.0826 10.5258 10.5258 13.0942 13.0942 13.0957 13.0957 18.8796 18.8796 21.2173 21.2173 k = 0.4435-0.3136 0.5432 ( 691 PWs) bands (ev): -92.0825 -92.0825 10.7456 10.7456 13.0537 13.0537 13.0552 13.0552 18.8360 18.8360 20.9511 20.9511 k = 0.4476-0.3165 0.5482 ( 683 PWs) bands (ev): -92.0823 -92.0823 10.9625 10.9625 13.0160 13.0160 13.0175 13.0175 18.7955 18.7955 20.6886 20.6886 k = 0.4516-0.3193 0.5531 ( 683 PWs) bands (ev): -92.0822 -92.0822 11.1753 11.1753 12.9810 12.9810 12.9826 12.9826 18.7580 18.7580 20.4316 20.4316 k = 0.4556-0.3222 0.5580 ( 682 PWs) bands (ev): -92.0821 -92.0821 11.3830 11.3830 12.9489 12.9489 12.9504 12.9504 18.7235 18.7235 20.1816 20.1816 k = 0.4597-0.3250 0.5630 ( 682 PWs) bands (ev): -92.0820 -92.0820 11.5843 11.5843 12.9195 12.9195 12.9210 12.9210 18.6920 18.6920 19.9406 19.9406 k = 0.4637-0.3279 0.5679 ( 682 PWs) bands (ev): -92.0819 -92.0819 11.7777 11.7777 12.8929 12.8929 12.8945 12.8945 18.6635 18.6635 19.7104 19.7104 k = 0.4677-0.3307 0.5729 ( 682 PWs) bands (ev): -92.0818 -92.0818 11.9613 11.9613 12.8691 12.8691 12.8707 12.8707 18.6380 18.6380 19.4931 19.4931 k = 0.4718-0.3336 0.5778 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.1330 12.1330 12.8482 12.8482 12.8497 12.8497 18.6155 18.6155 19.2912 19.2912 k = 0.4758-0.3364 0.5827 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.2904 12.2904 12.8300 12.8300 12.8315 12.8315 18.5960 18.5960 19.1072 19.1072 k = 0.4798-0.3393 0.5877 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.4308 12.4308 12.8146 12.8146 12.8161 12.8161 18.5795 18.5795 18.9441 18.9441 k = 0.4839-0.3421 0.5926 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.5513 12.5513 12.8020 12.8020 12.8035 12.8035 18.5660 18.5660 18.8048 18.8048 k = 0.4879-0.3450 0.5976 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.6490 12.6490 12.7922 12.7922 12.7937 12.7937 18.5555 18.5555 18.6924 18.6924 k = 0.4919-0.3479 0.6025 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7211 12.7211 12.7852 12.7852 12.7867 12.7867 18.5480 18.5480 18.6097 18.6097 k = 0.4960-0.3507 0.6074 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7653 12.7653 12.7811 12.7811 12.7825 12.7825 18.5435 18.5435 18.5591 18.5591 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7788 12.7788 12.7811 12.7811 12.7811 12.7811 18.5420 18.5420 18.5420 18.5420 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7788 12.7788 12.7811 12.7811 12.7811 12.7811 18.5420 18.5420 18.5420 26.0867 k = 0.4943-0.3495 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7700 12.7700 12.7771 12.7771 12.7819 12.7819 18.5473 18.5473 18.5551 18.5551 k = 0.4886-0.3455 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7398 12.7398 12.7673 12.7673 12.7860 12.7860 18.5634 18.5634 18.5941 18.5941 k = 0.4830-0.3415 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.6903 12.6903 12.7511 12.7511 12.7929 12.7929 18.5900 18.5900 18.6582 18.6582 k = 0.4773-0.3375 0.6124 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.6226 12.6226 12.7288 12.7288 12.8026 12.8026 18.6269 18.6269 18.7461 18.7461 k = 0.4716-0.3335 0.6124 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.5384 12.5384 12.7005 12.7005 12.8151 12.8151 18.6739 18.6739 18.8563 18.8563 k = 0.4659-0.3294 0.6124 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.4395 12.4395 12.6666 12.6666 12.8304 12.8304 18.7305 18.7305 18.9872 18.9872 k = 0.4602-0.3254 0.6124 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.3275 12.3275 12.6274 12.6274 12.8484 12.8484 18.7965 18.7965 19.1368 19.1368 k = 0.4545-0.3214 0.6124 ( 682 PWs) bands (ev): -92.0818 -92.0818 12.2044 12.2044 12.5834 12.5834 12.8693 12.8693 18.8714 18.8714 19.3034 19.3034 k = 0.4489-0.3174 0.6124 ( 682 PWs) bands (ev): -92.0819 -92.0819 12.0716 12.0716 12.5349 12.5349 12.8928 12.8928 18.9547 18.9547 19.4854 19.4854 k = 0.4432-0.3134 0.6124 ( 682 PWs) bands (ev): -92.0820 -92.0820 11.9308 11.9308 12.4824 12.4824 12.9192 12.9192 19.0459 19.0459 19.6813 19.6813 k = 0.4375-0.3094 0.6124 ( 682 PWs) bands (ev): -92.0821 -92.0821 11.7833 11.7833 12.4263 12.4263 12.9483 12.9483 19.1445 19.1445 19.8896 19.8896 k = 0.4318-0.3053 0.6124 ( 682 PWs) bands (ev): -92.0822 -92.0822 11.6304 11.6304 12.3669 12.3669 12.9802 12.9802 19.2501 19.2501 20.1092 20.1092 k = 0.4261-0.3013 0.6124 ( 686 PWs) bands (ev): -92.0823 -92.0823 11.4730 11.4730 12.3048 12.3048 13.0149 13.0149 19.3622 19.3622 20.3390 20.3390 k = 0.4205-0.2973 0.6124 ( 686 PWs) bands (ev): -92.0824 -92.0824 11.3121 11.3121 12.2402 12.2402 13.0523 13.0523 19.4802 19.4802 20.5780 20.5780 k = 0.4148-0.2933 0.6124 ( 690 PWs) bands (ev): -92.0826 -92.0826 11.1486 11.1486 12.1735 12.1735 13.0925 13.0925 19.6038 19.6038 20.8256 20.8256 k = 0.4091-0.2893 0.6124 ( 690 PWs) bands (ev): -92.0827 -92.0827 10.9830 10.9830 12.1051 12.1051 13.1354 13.1354 19.7323 19.7323 21.0809 21.0809 k = 0.4034-0.2853 0.6124 ( 692 PWs) bands (ev): -92.0829 -92.0829 10.8160 10.8160 12.0353 12.0353 13.1810 13.1810 19.8654 19.8654 21.3435 21.3435 k = 0.3977-0.2812 0.6124 ( 692 PWs) bands (ev): -92.0830 -92.0830 10.6481 10.6481 11.9644 11.9644 13.2294 13.2294 20.0027 20.0027 21.6127 21.6127 k = 0.3920-0.2772 0.6124 ( 692 PWs) bands (ev): -92.0832 -92.0832 10.4797 10.4797 11.8926 11.8926 13.2806 13.2806 20.1436 20.1436 21.8882 21.8882 k = 0.3864-0.2732 0.6124 ( 692 PWs) bands (ev): -92.0834 -92.0834 10.3113 10.3113 11.8202 11.8202 13.3344 13.3344 20.2878 20.2878 22.1695 22.1695 k = 0.3807-0.2692 0.6124 ( 692 PWs) bands (ev): -92.0835 -92.0835 10.1430 10.1430 11.7474 11.7474 13.3910 13.3910 20.4348 20.4348 22.4563 22.4563 k = 0.3750-0.2652 0.6124 ( 692 PWs) bands (ev): -92.0837 -92.0837 9.9754 9.9754 11.6745 11.6745 13.4503 13.4503 20.5841 20.5841 22.7484 22.7484 k = 0.3693-0.2611 0.6124 ( 692 PWs) bands (ev): -92.0839 -92.0839 9.8085 9.8085 11.6015 11.6015 13.5123 13.5123 20.7353 20.7353 23.0454 23.0454 k = 0.3636-0.2571 0.6124 ( 696 PWs) bands (ev): -92.0841 -92.0841 9.6426 9.6426 11.5287 11.5287 13.5769 13.5769 20.8880 20.8880 23.3472 23.3472 k = 0.3580-0.2531 0.6124 ( 696 PWs) bands (ev): -92.0843 -92.0843 9.4779 9.4779 11.4562 11.4562 13.6443 13.6443 21.0417 21.0417 23.6536 23.6536 k = 0.3523-0.2491 0.6124 ( 690 PWs) bands (ev): -92.0845 -92.0845 9.3145 9.3145 11.3842 11.3842 13.7144 13.7144 21.1958 21.1958 23.9644 23.9644 k = 0.3466-0.2451 0.6124 ( 690 PWs) bands (ev): -92.0848 -92.0848 9.1527 9.1527 11.3127 11.3127 13.7871 13.7871 21.3499 21.3499 24.2794 24.2794 k = 0.3409-0.2411 0.6124 ( 690 PWs) bands (ev): -92.0850 -92.0850 8.9925 8.9925 11.2419 11.2419 13.8625 13.8625 21.5035 21.5035 24.5985 24.5985 k = 0.3352-0.2370 0.6124 ( 690 PWs) bands (ev): -92.0852 -92.0852 8.8340 8.8340 11.1719 11.1719 13.9406 13.9406 21.6559 21.6559 24.9216 24.9216 k = 0.3295-0.2330 0.6124 ( 696 PWs) bands (ev): -92.0855 -92.0855 8.6774 8.6774 11.1028 11.1028 14.0213 14.0213 21.8067 21.8067 25.2485 25.2485 k = 0.3239-0.2290 0.6124 ( 696 PWs) bands (ev): -92.0857 -92.0857 8.5228 8.5228 11.0346 11.0346 14.1046 14.1046 21.9552 21.9552 25.5793 25.5793 k = 0.3182-0.2250 0.6124 ( 696 PWs) bands (ev): -92.0859 -92.0859 8.3702 8.3702 10.9675 10.9675 14.1905 14.1905 22.1009 22.1009 25.9137 25.9137 k = 0.3125-0.2210 0.6124 ( 696 PWs) bands (ev): -92.0862 -92.0862 8.2197 8.2197 10.9014 10.9014 14.2790 14.2790 22.2431 22.2431 26.2517 26.2517 k = 0.3068-0.2170 0.6124 ( 692 PWs) bands (ev): -92.0864 -92.0864 8.0713 8.0713 10.8364 10.8364 14.3702 14.3702 22.3813 22.3813 26.5933 26.5933 k = 0.3011-0.2129 0.6124 ( 692 PWs) bands (ev): -92.0867 -92.0867 7.9252 7.9252 10.7727 10.7727 14.4638 14.4638 22.5147 22.5147 26.8177 26.8177 k = 0.2955-0.2089 0.6124 ( 692 PWs) bands (ev): -92.0869 -92.0869 7.7814 7.7814 10.7101 10.7101 14.5600 14.5600 22.6430 22.6430 26.8983 26.8983 k = 0.2898-0.2049 0.6124 ( 692 PWs) bands (ev): -92.0872 -92.0872 7.6399 7.6399 10.6488 10.6488 14.6588 14.6588 22.7655 22.7655 26.9863 26.9863 k = 0.2841-0.2009 0.6124 ( 696 PWs) bands (ev): -92.0875 -92.0875 7.5008 7.5008 10.5888 10.5888 14.7600 14.7600 22.8817 22.8817 27.0819 27.0819 k = 0.2784-0.1969 0.6124 ( 688 PWs) bands (ev): -92.0877 -92.0877 7.3641 7.3641 10.5302 10.5302 14.8638 14.8638 22.9914 22.9914 27.1857 27.1857 k = 0.2727-0.1928 0.6124 ( 688 PWs) bands (ev): -92.0880 -92.0880 7.2299 7.2299 10.4729 10.4729 14.9700 14.9700 23.0942 23.0942 27.2976 27.2976 k = 0.2670-0.1888 0.6124 ( 688 PWs) bands (ev): -92.0883 -92.0883 7.0981 7.0981 10.4169 10.4169 15.0786 15.0786 23.1898 23.1898 27.4177 27.4177 k = 0.2614-0.1848 0.6124 ( 692 PWs) bands (ev): -92.0885 -92.0885 6.9688 6.9688 10.3623 10.3623 15.1896 15.1896 23.2782 23.2782 27.5458 27.5458 k = 0.2557-0.1808 0.6124 ( 692 PWs) bands (ev): -92.0888 -92.0888 6.8421 6.8421 10.3091 10.3091 15.3030 15.3030 23.3595 23.3595 27.6820 27.6820 k = 0.2500-0.1768 0.6124 ( 692 PWs) bands (ev): -92.0891 -92.0891 6.7180 6.7180 10.2572 10.2572 15.4188 15.4188 23.4336 23.4336 27.8260 27.8260 k = 0.2443-0.1728 0.6124 ( 692 PWs) bands (ev): -92.0893 -92.0893 6.5964 6.5964 10.2068 10.2068 15.5369 15.5369 23.5009 23.5009 27.9774 27.9774 k = 0.2386-0.1687 0.6124 ( 692 PWs) bands (ev): -92.0896 -92.0896 6.4774 6.4774 10.1578 10.1578 15.6572 15.6572 23.5615 23.5615 28.1357 28.1357 k = 0.2330-0.1647 0.6124 ( 692 PWs) bands (ev): -92.0899 -92.0899 6.3611 6.3611 10.1102 10.1102 15.7797 15.7797 23.6157 23.6157 28.3005 28.3005 k = 0.2273-0.1607 0.6124 ( 696 PWs) bands (ev): -92.0902 -92.0902 6.2474 6.2474 10.0640 10.0640 15.9045 15.9045 23.6638 23.6638 28.4713 28.4713 k = 0.2216-0.1567 0.6124 ( 696 PWs) bands (ev): -92.0904 -92.0904 6.1364 6.1364 10.0192 10.0192 16.0313 16.0313 23.7064 23.7064 28.6474 28.6474 k = 0.2159-0.1527 0.6124 ( 692 PWs) bands (ev): -92.0907 -92.0907 6.0281 6.0281 9.9758 9.9758 16.1603 16.1603 23.7439 23.7439 28.8284 28.8284 k = 0.2102-0.1487 0.6124 ( 700 PWs) bands (ev): -92.0910 -92.0910 5.9225 5.9225 9.9337 9.9337 16.2912 16.2912 23.7762 23.7762 29.0136 29.0136 k = 0.2045-0.1446 0.6124 ( 700 PWs) bands (ev): -92.0912 -92.0912 5.8195 5.8195 9.8931 9.8931 16.4241 16.4241 23.8043 23.8043 29.2024 29.2024 k = 0.1989-0.1406 0.6124 ( 700 PWs) bands (ev): -92.0915 -92.0915 5.7193 5.7193 9.8538 9.8538 16.5589 16.5589 23.8283 23.8283 29.3942 29.3942 k = 0.1932-0.1366 0.6124 ( 702 PWs) bands (ev): -92.0917 -92.0917 5.6218 5.6218 9.8159 9.8159 16.6955 16.6955 23.8485 23.8485 29.5884 29.5884 k = 0.1875-0.1326 0.6124 ( 702 PWs) bands (ev): -92.0920 -92.0920 5.5271 5.5271 9.7793 9.7793 16.8339 16.8339 23.8653 23.8653 29.7844 29.7844 k = 0.1818-0.1286 0.6124 ( 702 PWs) bands (ev): -92.0922 -92.0922 5.4351 5.4351 9.7441 9.7441 16.9739 16.9739 23.8791 23.8791 29.9816 29.9816 k = 0.1761-0.1245 0.6124 ( 702 PWs) bands (ev): -92.0925 -92.0925 5.3458 5.3458 9.7101 9.7101 17.1154 17.1154 23.8902 23.8902 30.1795 30.1795 k = 0.1705-0.1205 0.6124 ( 702 PWs) bands (ev): -92.0927 -92.0927 5.2594 5.2594 9.6775 9.6775 17.2583 17.2583 23.8987 23.8987 30.3774 30.3774 k = 0.1648-0.1165 0.6124 ( 702 PWs) bands (ev): -92.0930 -92.0930 5.1757 5.1757 9.6462 9.6462 17.4025 17.4025 23.9050 23.9050 30.5749 30.5749 k = 0.1591-0.1125 0.6124 ( 702 PWs) bands (ev): -92.0932 -92.0932 5.0948 5.0948 9.6162 9.6162 17.5479 17.5479 23.9093 23.9093 30.7713 30.7713 k = 0.1534-0.1085 0.6124 ( 702 PWs) bands (ev): -92.0934 -92.0934 5.0167 5.0167 9.5874 9.5874 17.6944 17.6944 23.9119 23.9119 30.9662 30.9662 k = 0.1477-0.1045 0.6124 ( 702 PWs) bands (ev): -92.0936 -92.0936 4.9413 4.9413 9.5598 9.5598 17.8416 17.8416 23.9129 23.9129 31.1589 31.1589 k = 0.1420-0.1004 0.6124 ( 702 PWs) bands (ev): -92.0938 -92.0938 4.8688 4.8688 9.5335 9.5335 17.9896 17.9896 23.9125 23.9125 31.3490 31.3490 k = 0.1364-0.0964 0.6124 ( 700 PWs) bands (ev): -92.0940 -92.0940 4.7991 4.7991 9.5084 9.5084 18.1380 18.1380 23.9109 23.9109 31.5359 31.5359 k = 0.1307-0.0924 0.6124 ( 698 PWs) bands (ev): -92.0942 -92.0942 4.7322 4.7322 9.4845 9.4845 18.2867 18.2867 23.9083 23.9083 31.7191 31.7191 k = 0.1250-0.0884 0.6124 ( 698 PWs) bands (ev): -92.0944 -92.0944 4.6681 4.6681 9.4617 9.4617 18.4353 18.4353 23.9047 23.9047 31.8980 31.8980 k = 0.1193-0.0844 0.6124 ( 698 PWs) bands (ev): -92.0946 -92.0946 4.6068 4.6068 9.4401 9.4401 18.5837 18.5837 23.9005 23.9005 32.0722 32.0722 k = 0.1136-0.0804 0.6124 ( 698 PWs) bands (ev): -92.0948 -92.0948 4.5484 4.5484 9.4196 9.4196 18.7315 18.7315 23.8956 23.8956 31.8446 31.8446 k = 0.1080-0.0763 0.6124 ( 698 PWs) bands (ev): -92.0950 -92.0950 4.4928 4.4928 9.4003 9.4003 18.8784 18.8784 23.8903 23.8903 31.5857 31.5857 k = 0.1023-0.0723 0.6124 ( 688 PWs) bands (ev): -92.0951 -92.0951 4.4400 4.4400 9.3821 9.3821 19.0239 19.0239 23.8846 23.8846 31.3337 31.3337 k = 0.0966-0.0683 0.6124 ( 690 PWs) bands (ev): -92.0953 -92.0953 4.3901 4.3901 9.3649 9.3649 19.1678 19.1678 23.8785 23.8785 31.0893 31.0893 k = 0.0909-0.0643 0.6124 ( 690 PWs) bands (ev): -92.0954 -92.0954 4.3429 4.3429 9.3489 9.3489 19.3094 19.3094 23.8723 23.8723 30.8527 30.8527 k = 0.0852-0.0603 0.6124 ( 690 PWs) bands (ev): -92.0956 -92.0956 4.2987 4.2987 9.3338 9.3338 19.4482 19.4482 23.8661 23.8661 30.6247 30.6247 k = 0.0795-0.0562 0.6124 ( 690 PWs) bands (ev): -92.0957 -92.0957 4.2573 4.2573 9.3199 9.3199 19.5838 19.5838 23.8599 23.8599 30.4057 30.4057 k = 0.0739-0.0522 0.6124 ( 690 PWs) bands (ev): -92.0959 -92.0959 4.2187 4.2187 9.3069 9.3069 19.7154 19.7154 23.8538 23.8538 30.1963 30.1963 k = 0.0682-0.0482 0.6124 ( 690 PWs) bands (ev): -92.0960 -92.0960 4.1830 4.1830 9.2950 9.2950 19.8424 19.8424 23.8478 23.8478 29.9973 29.9973 k = 0.0625-0.0442 0.6124 ( 690 PWs) bands (ev): -92.0961 -92.0961 4.1501 4.1501 9.2841 9.2841 19.9640 19.9640 23.8421 23.8421 29.8095 29.8095 k = 0.0568-0.0402 0.6124 ( 690 PWs) bands (ev): -92.0962 -92.0962 4.1201 4.1201 9.2741 9.2741 20.0795 20.0795 23.8367 23.8367 29.6336 29.6336 k = 0.0511-0.0362 0.6124 ( 690 PWs) bands (ev): -92.0963 -92.0963 4.0929 4.0929 9.2652 9.2652 20.1879 20.1879 23.8316 23.8316 29.4704 29.4704 k = 0.0455-0.0321 0.6124 ( 682 PWs) bands (ev): -92.0963 -92.0963 4.0686 4.0686 9.2572 9.2572 20.2884 20.2884 23.8270 23.8270 29.3210 29.3210 k = 0.0398-0.0281 0.6124 ( 682 PWs) bands (ev): -92.0964 -92.0964 4.0471 4.0471 9.2502 9.2502 20.3799 20.3799 23.8227 23.8227 29.1862 29.1862 k = 0.0341-0.0241 0.6124 ( 682 PWs) bands (ev): -92.0965 -92.0965 4.0286 4.0286 9.2441 9.2441 20.4617 20.4617 23.8190 23.8190 29.0670 29.0670 k = 0.0284-0.0201 0.6124 ( 686 PWs) bands (ev): -92.0965 -92.0965 4.0128 4.0128 9.2390 9.2390 20.5328 20.5328 23.8158 23.8158 28.9642 28.9642 k = 0.0227-0.0161 0.6124 ( 686 PWs) bands (ev): -92.0966 -92.0966 3.9999 3.9999 9.2348 9.2348 20.5923 20.5923 23.8131 23.8131 28.8787 28.8787 k = 0.0170-0.0121 0.6124 ( 686 PWs) bands (ev): -92.0966 -92.0966 3.9899 3.9899 9.2315 9.2315 20.6395 20.6395 23.8110 23.8110 28.8114 28.8114 k = 0.0114-0.0080 0.6124 ( 686 PWs) bands (ev): -92.0966 -92.0966 3.9828 3.9828 9.2292 9.2292 20.6737 20.6737 23.8095 23.8095 28.7628 28.7628 k = 0.0057-0.0040 0.6124 ( 686 PWs) bands (ev): -92.0966 -92.0966 3.9785 3.9785 9.2278 9.2278 20.6944 20.6944 23.8086 23.8086 28.7334 28.7334 k = 0.0000 0.0000 0.6124 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9770 3.9770 9.2274 9.2274 20.7014 20.7014 23.8083 23.8083 28.7236 28.7236 k = 0.0000 0.0000 0.6124 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9770 3.9770 9.2274 9.2274 20.7014 20.7014 23.8083 23.8083 28.7236 28.7236 k = 0.0000 0.0000 0.6054 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9695 3.9695 9.2375 9.2375 20.7027 20.7027 23.8093 23.8093 28.7250 28.7250 k = 0.0000 0.0000 0.5985 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9470 3.9470 9.2676 9.2676 20.7066 20.7066 23.8123 23.8123 28.7295 28.7295 k = 0.0000 0.0000 0.5915 ( 682 PWs) bands (ev): -92.0967 -92.0967 3.9101 3.9101 9.3173 9.3173 20.7132 20.7132 23.8173 23.8173 28.7368 28.7368 k = 0.0000 0.0000 0.5845 ( 682 PWs) bands (ev): -92.0968 -92.0968 3.8596 3.8596 9.3856 9.3856 20.7223 20.7223 23.8243 23.8243 28.7472 28.7472 k = 0.0000 0.0000 0.5776 ( 682 PWs) bands (ev): -92.0968 -92.0968 3.7965 3.7965 9.4717 9.4717 20.7341 20.7341 23.8334 23.8334 28.7604 28.7604 k = 0.0000 0.0000 0.5706 ( 682 PWs) bands (ev): -92.0969 -92.0969 3.7220 3.7220 9.5743 9.5743 20.7485 20.7485 23.8444 23.8444 28.7766 28.7766 k = 0.0000 0.0000 0.5637 ( 682 PWs) bands (ev): -92.0970 -92.0970 3.6372 3.6372 9.6922 9.6922 20.7655 20.7655 23.8574 23.8574 28.7958 28.7958 k = 0.0000 0.0000 0.5567 ( 684 PWs) bands (ev): -92.0971 -92.0971 3.5435 3.5435 9.8242 9.8242 20.7850 20.7850 23.8724 23.8724 28.8179 28.8179 k = 0.0000 0.0000 0.5497 ( 684 PWs) bands (ev): -92.0972 -92.0972 3.4420 3.4420 9.9689 9.9689 20.8072 20.8072 23.8894 23.8894 28.8430 28.8430 k = 0.0000 0.0000 0.5428 ( 684 PWs) bands (ev): -92.0973 -92.0973 3.3339 3.3339 10.1254 10.1254 20.8320 20.8320 23.9083 23.9083 28.8710 33.9267 k = 0.0000 0.0000 0.5358 ( 688 PWs) bands (ev): -92.0975 -92.0975 3.2201 3.2201 10.2926 10.2926 20.8594 20.8594 23.9291 23.9291 28.9020 28.9020 k = 0.0000 0.0000 0.5289 ( 684 PWs) bands (ev): -92.0976 -92.0976 3.1017 3.1017 10.4695 10.4695 20.8894 20.8894 23.9519 23.9519 28.9359 28.9359 k = 0.0000 0.0000 0.5219 ( 684 PWs) bands (ev): -92.0978 -92.0978 2.9794 2.9794 10.6552 10.6552 20.9219 20.9219 23.9766 23.9766 28.9727 28.9727 k = 0.0000 0.0000 0.5149 ( 684 PWs) bands (ev): -92.0979 -92.0979 2.8540 2.8540 10.8490 10.8490 20.9571 20.9571 24.0032 24.0032 29.0125 29.0125 k = 0.0000 0.0000 0.5080 ( 686 PWs) bands (ev): -92.0981 -92.0981 2.7262 2.7262 11.0503 11.0503 20.9948 20.9948 24.0317 24.0317 29.0553 29.0553 k = 0.0000 0.0000 0.5010 ( 686 PWs) bands (ev): -92.0983 -92.0983 2.5964 2.5964 11.2585 11.2585 21.0350 21.0350 24.0621 24.0621 29.1010 29.1010 k = 0.0000 0.0000 0.4941 ( 686 PWs) bands (ev): -92.0985 -92.0985 2.4653 2.4653 11.4729 11.4729 21.0779 21.0779 24.0942 24.0942 29.1496 29.1496 k = 0.0000 0.0000 0.4871 ( 686 PWs) bands (ev): -92.0988 -92.0988 2.3333 2.3333 11.6933 11.6933 21.1232 21.1232 24.1282 24.1282 29.2011 29.2011 k = 0.0000 0.0000 0.4802 ( 686 PWs) bands (ev): -92.0990 -92.0990 2.2007 2.2007 11.9191 11.9191 21.1711 21.1711 24.1640 24.1640 29.2557 29.2557 k = 0.0000 0.0000 0.4732 ( 686 PWs) bands (ev): -92.0992 -92.0992 2.0678 2.0678 12.1500 12.1500 21.2216 21.2216 24.2016 24.2016 29.3131 29.3131 k = 0.0000 0.0000 0.4662 ( 682 PWs) bands (ev): -92.0995 -92.0995 1.9350 1.9350 12.3858 12.3858 21.2745 21.2745 24.2409 24.2409 29.3735 29.3735 k = 0.0000 0.0000 0.4593 ( 682 PWs) bands (ev): -92.0997 -92.0997 1.8025 1.8025 12.6260 12.6260 21.3300 21.3300 24.2819 24.2819 29.4368 29.4368 k = 0.0000 0.0000 0.4523 ( 682 PWs) bands (ev): -92.1000 -92.1000 1.6705 1.6705 12.8706 12.8706 21.3879 21.3879 24.3245 24.3245 29.5031 29.5031 k = 0.0000 0.0000 0.4454 ( 674 PWs) bands (ev): -92.1003 -92.1003 1.5392 1.5392 13.1191 13.1191 21.4484 21.4484 24.3688 24.3688 29.5723 29.5723 k = 0.0000 0.0000 0.4384 ( 678 PWs) bands (ev): -92.1006 -92.1006 1.4088 1.4088 13.3715 13.3715 21.5113 21.5113 24.4147 24.4147 29.6444 29.6444 k = 0.0000 0.0000 0.4314 ( 678 PWs) bands (ev): -92.1009 -92.1009 1.2794 1.2794 13.6275 13.6275 21.5766 21.5766 24.4621 24.4621 29.7195 29.7195 k = 0.0000 0.0000 0.4245 ( 678 PWs) bands (ev): -92.1012 -92.1012 1.1512 1.1512 13.8870 13.8870 21.6444 21.6444 24.5111 24.5111 29.7974 29.7974 k = 0.0000 0.0000 0.4175 ( 678 PWs) bands (ev): -92.1015 -92.1015 1.0243 1.0243 14.1497 14.1497 21.7146 21.7146 24.5616 24.5616 29.8783 29.8783 k = 0.0000 0.0000 0.4106 ( 678 PWs) bands (ev): -92.1018 -92.1018 0.8988 0.8988 14.4157 14.4157 21.7872 21.7872 24.6134 24.6134 29.9622 29.9622 k = 0.0000 0.0000 0.4036 ( 678 PWs) bands (ev): -92.1022 -92.1022 0.7748 0.7748 14.6846 14.6846 21.8621 21.8621 24.6667 24.6667 30.0489 30.0489 k = 0.0000 0.0000 0.3967 ( 676 PWs) bands (ev): -92.1025 -92.1025 0.6523 0.6523 14.9563 14.9563 21.9395 21.9395 24.7213 24.7213 30.1386 30.1386 k = 0.0000 0.0000 0.3897 ( 676 PWs) bands (ev): -92.1028 -92.1028 0.5314 0.5314 15.2308 15.2308 22.0191 22.0191 24.7772 24.7772 30.2312 30.2312 k = 0.0000 0.0000 0.3827 ( 676 PWs) bands (ev): -92.1032 -92.1032 0.4122 0.4122 15.5079 15.5079 22.1011 22.1011 24.8343 24.8343 30.3267 30.3267 k = 0.0000 0.0000 0.3758 ( 676 PWs) bands (ev): -92.1035 -92.1035 0.2948 0.2948 15.7874 15.7874 22.1854 22.1854 24.8926 24.8926 30.4251 30.4251 k = 0.0000 0.0000 0.3688 ( 680 PWs) bands (ev): -92.1039 -92.1039 0.1792 0.1792 16.0692 16.0692 22.2719 22.2719 24.9519 24.9519 30.5265 30.5265 k = 0.0000 0.0000 0.3619 ( 680 PWs) bands (ev): -92.1043 -92.1043 0.0654 0.0654 16.3533 16.3533 22.3607 22.3607 25.0124 25.0124 30.6307 30.6307 k = 0.0000 0.0000 0.3549 ( 680 PWs) bands (ev): -92.1046 -92.1046 -0.0464 -0.0464 16.6393 16.6393 22.4516 22.4516 25.0738 25.0738 30.7378 30.7378 k = 0.0000 0.0000 0.3479 ( 680 PWs) bands (ev): -92.1050 -92.1050 -0.1564 -0.1564 16.9273 16.9273 22.5447 22.5447 25.1361 25.1361 30.8478 30.8478 k = 0.0000 0.0000 0.3410 ( 680 PWs) bands (ev): -92.1054 -92.1054 -0.2644 -0.2644 17.2171 17.2171 22.6400 22.6400 25.1993 25.1993 30.9607 30.9607 k = 0.0000 0.0000 0.3340 ( 680 PWs) bands (ev): -92.1057 -92.1057 -0.3704 -0.3704 17.5085 17.5085 22.7373 22.7373 25.2632 25.2632 31.0765 31.0765 k = 0.0000 0.0000 0.3271 ( 680 PWs) bands (ev): -92.1061 -92.1061 -0.4744 -0.4744 17.8014 17.8014 22.8367 22.8367 25.3278 25.3278 31.1952 31.1952 k = 0.0000 0.0000 0.3201 ( 680 PWs) bands (ev): -92.1065 -92.1065 -0.5764 -0.5764 18.0956 18.0956 22.9381 22.9381 25.3931 25.3931 31.3167 31.3167 k = 0.0000 0.0000 0.3131 ( 684 PWs) bands (ev): -92.1069 -92.1069 -0.6763 -0.6763 18.3909 18.3909 23.0414 23.0414 25.4588 25.4588 31.4412 31.4412 k = 0.0000 0.0000 0.3062 ( 684 PWs) bands (ev): -92.1072 -92.1072 -0.7741 -0.7741 18.6872 18.6872 23.1467 23.1467 25.5250 25.5250 31.5684 31.5684 k = 0.0000 0.0000 0.2992 ( 684 PWs) bands (ev): -92.1076 -92.1076 -0.8699 -0.8699 18.9843 18.9843 23.2538 23.2538 25.5916 25.5916 31.6985 31.6985 k = 0.0000 0.0000 0.2923 ( 680 PWs) bands (ev): -92.1080 -92.1080 -0.9635 -0.9635 19.2819 19.2819 23.3628 23.3628 25.6584 25.6584 31.8315 31.8315 k = 0.0000 0.0000 0.2853 ( 680 PWs) bands (ev): -92.1084 -92.1084 -1.0550 -1.0550 19.5799 19.5799 23.4734 23.4734 25.7254 25.7254 31.9673 31.9673 k = 0.0000 0.0000 0.2784 ( 680 PWs) bands (ev): -92.1087 -92.1087 -1.1444 -1.1444 19.8780 19.8780 23.5858 23.5858 25.7925 25.7925 32.1059 32.1059 k = 0.0000 0.0000 0.2714 ( 684 PWs) bands (ev): -92.1091 -92.1091 -1.2316 -1.2316 20.1759 20.1759 23.6997 23.6997 25.8596 25.8596 32.2474 32.2474 k = 0.0000 0.0000 0.2644 ( 682 PWs) bands (ev): -92.1095 -92.1095 -1.3167 -1.3167 20.4735 20.4735 23.8151 23.8151 25.9265 25.9265 32.3916 32.3916 k = 0.0000 0.0000 0.2575 ( 682 PWs) bands (ev): -92.1099 -92.1099 -1.3996 -1.3996 20.7703 20.7703 23.9320 23.9320 25.9933 25.9933 32.5386 32.5386 k = 0.0000 0.0000 0.2505 ( 682 PWs) bands (ev): -92.1102 -92.1102 -1.4804 -1.4804 21.0661 21.0661 24.0502 24.0502 26.0597 26.0597 32.6884 32.6884 k = 0.0000 0.0000 0.2436 ( 686 PWs) bands (ev): -92.1106 -92.1106 -1.5589 -1.5589 21.3606 21.3606 24.1697 24.1697 26.1257 26.1257 32.8409 32.8409 k = 0.0000 0.0000 0.2366 ( 684 PWs) bands (ev): -92.1109 -92.1109 -1.6353 -1.6353 21.6533 21.6533 24.2904 24.2904 26.1912 26.1912 32.9962 32.9962 k = 0.0000 0.0000 0.2296 ( 684 PWs) bands (ev): -92.1113 -92.1113 -1.7095 -1.7095 21.9440 21.9440 24.4120 24.4120 26.2560 26.2560 33.1541 33.1541 k = 0.0000 0.0000 0.2227 ( 684 PWs) bands (ev): -92.1116 -92.1116 -1.7815 -1.7815 22.2322 22.2322 24.5346 24.5346 26.3201 26.3201 33.3148 33.3148 k = 0.0000 0.0000 0.2157 ( 684 PWs) bands (ev): -92.1120 -92.1120 -1.8513 -1.8513 22.5175 22.5175 24.6580 24.6580 26.3833 26.3833 33.4781 33.4781 k = 0.0000 0.0000 0.2088 ( 684 PWs) bands (ev): -92.1123 -92.1123 -1.9189 -1.9189 22.7994 22.7994 24.7820 24.7820 26.4457 26.4457 33.6441 33.6441 k = 0.0000 0.0000 0.2018 ( 676 PWs) bands (ev): -92.1126 -92.1126 -1.9843 -1.9843 23.0774 23.0774 24.9066 24.9066 26.5070 26.5070 33.8126 33.8126 k = 0.0000 0.0000 0.1948 ( 680 PWs) bands (ev): -92.1130 -92.1130 -2.0475 -2.0475 23.3510 23.3510 25.0314 25.0314 26.5671 26.5671 33.9837 33.9837 k = 0.0000 0.0000 0.1879 ( 680 PWs) bands (ev): -92.1133 -92.1133 -2.1085 -2.1085 23.6198 23.6198 25.1564 25.1564 26.6259 26.6259 34.1582 34.1582 k = 0.0000 0.0000 0.1809 ( 680 PWs) bands (ev): -92.1136 -92.1136 -2.1673 -2.1673 23.8831 23.8831 25.2814 25.2814 26.6835 26.6835 34.2625 34.2625 k = 0.0000 0.0000 0.1740 ( 674 PWs) bands (ev): -92.1139 -92.1139 -2.2239 -2.2239 24.1404 24.1404 25.4061 25.4061 26.7396 26.7396 34.3755 34.3755 k = 0.0000 0.0000 0.1670 ( 674 PWs) bands (ev): -92.1142 -92.1142 -2.2782 -2.2782 24.3912 24.3912 25.5304 25.5304 26.7941 26.7941 34.4975 34.4975 k = 0.0000 0.0000 0.1601 ( 674 PWs) bands (ev): -92.1144 -92.1144 -2.3303 -2.3303 24.6349 24.6349 25.6539 25.6539 26.8470 26.8470 34.6290 34.6290 k = 0.0000 0.0000 0.1531 ( 670 PWs) bands (ev): -92.1147 -92.1147 -2.3802 -2.3802 24.8709 24.8709 25.7765 25.7765 26.8983 26.8983 34.7701 34.7701 k = 0.0000 0.0000 0.1461 ( 674 PWs) bands (ev): -92.1150 -92.1150 -2.4279 -2.4279 25.0986 25.0986 25.8978 25.8978 26.9477 26.9477 34.9213 34.9213 k = 0.0000 0.0000 0.1392 ( 673 PWs) bands (ev): -92.1152 -92.1152 -2.4734 -2.4734 25.3176 25.3176 26.0176 26.0176 26.9953 26.9953 35.0828 35.0828 k = 0.0000 0.0000 0.1322 ( 673 PWs) bands (ev): -92.1155 -92.1155 -2.5167 -2.5167 25.5275 25.5275 26.1356 26.1356 27.0409 27.0409 35.2547 35.2547 k = 0.0000 0.0000 0.1253 ( 673 PWs) bands (ev): -92.1157 -92.1157 -2.5577 -2.5577 25.7276 25.7276 26.2513 26.2513 27.0846 27.0846 35.4370 35.4370 k = 0.0000 0.0000 0.1183 ( 673 PWs) bands (ev): -92.1159 -92.1159 -2.5965 -2.5965 25.9178 25.9178 26.3645 26.3645 27.1262 27.1262 35.6297 35.6297 k = 0.0000 0.0000 0.1113 ( 677 PWs) bands (ev): -92.1161 -92.1161 -2.6331 -2.6331 26.0974 26.0974 26.4748 26.4748 27.1657 27.1657 35.8325 35.8325 k = 0.0000 0.0000 0.1044 ( 677 PWs) bands (ev): -92.1163 -92.1163 -2.6675 -2.6675 26.2665 26.2665 26.5816 26.5816 27.2030 27.2030 36.0450 36.0450 k = 0.0000 0.0000 0.0974 ( 677 PWs) bands (ev): -92.1165 -92.1165 -2.6997 -2.6997 26.4247 26.4247 26.6848 26.6848 27.2380 27.2380 36.2666 36.2666 k = 0.0000 0.0000 0.0905 ( 677 PWs) bands (ev): -92.1167 -92.1167 -2.7296 -2.7296 26.5718 26.5718 26.7836 26.7836 27.2708 27.2708 36.4963 36.4963 k = 0.0000 0.0000 0.0835 ( 677 PWs) bands (ev): -92.1169 -92.1169 -2.7573 -2.7573 26.7078 26.7078 26.8779 26.8779 27.3014 27.3014 36.7327 36.7327 k = 0.0000 0.0000 0.0765 ( 677 PWs) bands (ev): -92.1170 -92.1170 -2.7828 -2.7828 26.8326 26.8326 26.9669 26.9669 27.3295 27.3295 36.9739 36.9739 k = 0.0000 0.0000 0.0696 ( 677 PWs) bands (ev): -92.1172 -92.1172 -2.8061 -2.8061 26.9461 26.9461 27.0504 27.0504 27.3554 27.3554 37.2173 37.2173 k = 0.0000 0.0000 0.0626 ( 677 PWs) bands (ev): -92.1173 -92.1173 -2.8272 -2.8272 27.0484 27.0484 27.1277 27.1277 27.3788 27.3788 37.4591 37.4591 k = 0.0000 0.0000 0.0557 ( 677 PWs) bands (ev): -92.1174 -92.1174 -2.8460 -2.8460 27.1396 27.1396 27.1985 27.1985 27.3998 27.3998 37.6944 37.6944 k = 0.0000 0.0000 0.0487 ( 677 PWs) bands (ev): -92.1175 -92.1175 -2.8627 -2.8627 27.2198 27.2198 27.2622 27.2622 27.4184 27.4184 37.9169 37.9170 k = 0.0000 0.0000 0.0418 ( 677 PWs) bands (ev): -92.1176 -92.1176 -2.8771 -2.8771 27.2890 27.2890 27.3185 27.3185 27.4346 27.4346 38.0952 38.0953 k = 0.0000 0.0000 0.0348 ( 677 PWs) bands (ev): -92.1177 -92.1177 -2.8893 -2.8893 27.3472 27.3472 27.3669 27.3669 27.4483 27.4483 38.2484 38.2484 k = 0.0000 0.0000 0.0278 ( 677 PWs) bands (ev): -92.1177 -92.1177 -2.8992 -2.8992 27.3947 27.3947 27.4071 27.4071 27.4595 27.4595 38.3844 38.3844 k = 0.0000 0.0000 0.0209 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9070 -2.9070 27.4313 27.4313 27.4388 27.4388 27.4683 27.4683 38.4984 38.4984 k = 0.0000 0.0000 0.0139 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9126 -2.9126 27.4569 27.4569 27.4620 27.4620 27.4748 27.4748 38.5851 38.5851 k = 0.0000 0.0000 0.0070 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9159 -2.9159 27.4713 27.4713 27.4764 27.4764 27.4792 27.4792 38.6396 38.6397 k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9170 -2.9170 27.4754 27.4754 27.4813 27.4813 27.4813 27.4813 38.6582 38.6582 k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9170 -2.9170 27.4754 27.4754 27.4813 27.4813 27.4813 27.4813 38.6582 38.6582 k = 0.0023 0.0033 0.0057 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9159 -2.9159 27.4710 27.4710 27.4769 27.4769 27.4789 27.4789 38.6412 38.6412 k = 0.0047 0.0066 0.0114 ( 675 PWs) bands (ev): -92.1178 -92.1178 -2.9125 -2.9125 27.4531 27.4531 27.4683 27.4683 27.4717 27.4717 38.5899 38.5899 k = 0.0070 0.0099 0.0172 ( 676 PWs) bands (ev): -92.1178 -92.1178 -2.9069 -2.9069 27.4215 27.4215 27.4559 27.4559 27.4596 27.4596 38.5044 38.5044 k = 0.0093 0.0132 0.0229 ( 676 PWs) bands (ev): -92.1177 -92.1177 -2.8990 -2.8990 27.3774 27.3774 27.4388 27.4388 27.4425 27.4425 38.3852 38.3852 k = 0.0117 0.0165 0.0286 ( 676 PWs) bands (ev): -92.1177 -92.1177 -2.8889 -2.8889 27.3214 27.3214 27.4165 27.4165 27.4203 27.4203 38.2351 38.2351 k = 0.0140 0.0198 0.0343 ( 676 PWs) bands (ev): -92.1176 -92.1176 -2.8765 -2.8765 27.2541 27.2541 27.3891 27.3891 27.3929 27.3929 38.0586 38.0586 k = 0.0164 0.0231 0.0401 ( 676 PWs) bands (ev): -92.1175 -92.1175 -2.8619 -2.8619 27.1761 27.1761 27.3561 27.3561 27.3599 27.3599 37.8614 37.8614 k = 0.0187 0.0264 0.0458 ( 676 PWs) bands (ev): -92.1174 -92.1174 -2.8450 -2.8450 27.0881 27.0881 27.3174 27.3174 27.3212 27.3212 37.6496 37.6496 k = 0.0210 0.0297 0.0515 ( 679 PWs) bands (ev): -92.1173 -92.1173 -2.8259 -2.8259 26.9908 26.9908 27.2726 27.2726 27.2764 27.2764 37.4287 37.4287 k = 0.0234 0.0330 0.0572 ( 679 PWs) bands (ev): -92.1172 -92.1172 -2.8045 -2.8045 26.8850 26.8850 27.2216 27.2216 27.2253 27.2253 37.2032 37.2033 k = 0.0257 0.0363 0.0630 ( 679 PWs) bands (ev): -92.1170 -92.1170 -2.7809 -2.7809 26.7714 26.7714 27.1639 27.1639 27.1676 27.1676 36.9770 36.9771 k = 0.0280 0.0397 0.0687 ( 679 PWs) bands (ev): -92.1169 -92.1169 -2.7550 -2.7550 26.6508 26.6508 27.0992 27.0992 27.1029 27.1029 36.7531 36.7532 k = 0.0304 0.0430 0.0744 ( 679 PWs) bands (ev): -92.1167 -92.1167 -2.7269 -2.7269 26.5238 26.5238 27.0272 27.0272 27.0309 27.0309 36.5336 36.5338 k = 0.0327 0.0463 0.0801 ( 679 PWs) bands (ev): -92.1165 -92.1165 -2.6965 -2.6965 26.3911 26.3911 26.9477 26.9477 26.9513 26.9513 36.3207 36.3208 k = 0.0350 0.0496 0.0858 ( 679 PWs) bands (ev): -92.1163 -92.1163 -2.6639 -2.6639 26.2535 26.2535 26.8602 26.8602 26.8638 26.8638 36.1157 36.1158 k = 0.0374 0.0529 0.0916 ( 679 PWs) bands (ev): -92.1161 -92.1161 -2.6291 -2.6291 26.1115 26.1115 26.7645 26.7645 26.7680 26.7680 35.9197 35.9199 k = 0.0397 0.0562 0.0973 ( 679 PWs) bands (ev): -92.1159 -92.1159 -2.5919 -2.5919 25.9656 25.9656 26.6604 26.6604 26.6639 26.6639 35.7338 35.7340 k = 0.0421 0.0595 0.1030 ( 673 PWs) bands (ev): -92.1157 -92.1157 -2.5526 -2.5526 25.8166 25.8166 26.5477 26.5477 26.5511 26.5511 35.5588 35.5592 k = 0.0444 0.0628 0.1087 ( 673 PWs) bands (ev): -92.1155 -92.1155 -2.5110 -2.5110 25.6648 25.6648 26.4262 26.4262 26.4295 26.4295 35.3953 35.3956 k = 0.0467 0.0661 0.1145 ( 673 PWs) bands (ev): -92.1152 -92.1152 -2.4671 -2.4671 25.5106 25.5106 26.2959 26.2959 26.2992 26.2992 35.2435 35.2438 k = 0.0491 0.0694 0.1202 ( 679 PWs) bands (ev): -92.1150 -92.1150 -2.4210 -2.4210 25.3546 25.3546 26.1568 26.1568 26.1600 26.1600 35.1040 35.1042 k = 0.0514 0.0727 0.1259 ( 679 PWs) bands (ev): -92.1147 -92.1147 -2.3726 -2.3726 25.1971 25.1971 26.0090 26.0090 26.0122 26.0122 34.9768 34.9769 k = 0.0537 0.0760 0.1316 ( 673 PWs) bands (ev): -92.1144 -92.1144 -2.3220 -2.3220 25.0385 25.0385 25.8527 25.8527 25.8557 25.8557 34.8624 34.8626 k = 0.0561 0.0793 0.1374 ( 673 PWs) bands (ev): -92.1141 -92.1141 -2.2691 -2.2691 24.8791 24.8791 25.6880 25.6880 25.6910 25.6910 34.7597 34.7601 k = 0.0584 0.0826 0.1431 ( 673 PWs) bands (ev): -92.1138 -92.1138 -2.2140 -2.2140 24.7191 24.7191 25.5152 25.5152 25.5181 25.5181 34.6697 34.6701 k = 0.0607 0.0859 0.1488 ( 676 PWs) bands (ev): -92.1135 -92.1135 -2.1566 -2.1566 24.5590 24.5590 25.3348 25.3348 25.3376 25.3376 34.5914 34.5919 k = 0.0631 0.0892 0.1545 ( 676 PWs) bands (ev): -92.1132 -92.1132 -2.0970 -2.0970 24.3988 24.3988 25.1470 25.1470 25.1498 25.1498 34.5247 34.5256 k = 0.0654 0.0925 0.1602 ( 676 PWs) bands (ev): -92.1129 -92.1129 -2.0352 -2.0352 24.2388 24.2388 24.9525 24.9525 24.9552 24.9552 34.4695 34.4701 k = 0.0678 0.0958 0.1660 ( 676 PWs) bands (ev): -92.1126 -92.1126 -1.9711 -1.9711 24.0793 24.0793 24.7515 24.7515 24.7541 24.7541 34.4254 34.4262 k = 0.0701 0.0991 0.1717 ( 676 PWs) bands (ev): -92.1123 -92.1123 -1.9047 -1.9047 23.9205 23.9205 24.5446 24.5446 24.5471 24.5471 34.3922 34.3931 k = 0.0724 0.1024 0.1774 ( 676 PWs) bands (ev): -92.1119 -92.1119 -1.8361 -1.8361 23.7624 23.7624 24.3323 24.3323 24.3348 24.3348 34.3688 34.3699 k = 0.0748 0.1057 0.1831 ( 682 PWs) bands (ev): -92.1116 -92.1116 -1.7652 -1.7652 23.6052 23.6052 24.1151 24.1151 24.1175 24.1175 34.3553 34.3563 k = 0.0771 0.1090 0.1889 ( 682 PWs) bands (ev): -92.1113 -92.1113 -1.6921 -1.6921 23.4492 23.4492 23.8934 23.8934 23.8957 23.8957 34.3509 34.3519 k = 0.0794 0.1123 0.1946 ( 682 PWs) bands (ev): -92.1109 -92.1109 -1.6168 -1.6168 23.2943 23.2943 23.6678 23.6678 23.6700 23.6700 34.3556 34.3566 k = 0.0818 0.1156 0.2003 ( 682 PWs) bands (ev): -92.1106 -92.1106 -1.5392 -1.5392 23.1408 23.1408 23.4387 23.4387 23.4409 23.4409 34.3690 34.3698 k = 0.0841 0.1190 0.2060 ( 682 PWs) bands (ev): -92.1102 -92.1102 -1.4594 -1.4594 22.9887 22.9887 23.2065 23.2065 23.2086 23.2086 34.3900 34.3906 k = 0.0864 0.1223 0.2118 ( 682 PWs) bands (ev): -92.1099 -92.1099 -1.3773 -1.3773 22.8382 22.8382 22.9717 22.9717 22.9737 22.9737 34.4182 34.4188 k = 0.0888 0.1256 0.2175 ( 682 PWs) bands (ev): -92.1095 -92.1095 -1.2930 -1.2930 22.6892 22.6892 22.7346 22.7346 22.7366 22.7366 34.4542 34.4560 k = 0.0911 0.1289 0.2232 ( 679 PWs) bands (ev): -92.1091 -92.1091 -1.2064 -1.2064 22.4956 22.4956 22.4976 22.4976 22.5421 22.5421 34.4972 34.4985 k = 0.0935 0.1322 0.2289 ( 679 PWs) bands (ev): -92.1088 -92.1088 -1.1176 -1.1176 22.2551 22.2551 22.2571 22.2571 22.3966 22.3966 34.5468 34.5482 k = 0.0958 0.1355 0.2346 ( 679 PWs) bands (ev): -92.1084 -92.1084 -1.0265 -1.0265 22.0134 22.0134 22.0153 22.0153 22.2529 22.2529 34.6027 34.6043 k = 0.0981 0.1388 0.2404 ( 679 PWs) bands (ev): -92.1080 -92.1080 -0.9332 -0.9332 21.7708 21.7708 21.7727 21.7727 22.1111 22.1111 34.6646 34.6664 k = 0.1005 0.1421 0.2461 ( 673 PWs) bands (ev): -92.1076 -92.1076 -0.8377 -0.8377 21.5276 21.5276 21.5294 21.5294 21.9713 21.9713 34.7324 34.7341 k = 0.1028 0.1454 0.2518 ( 685 PWs) bands (ev): -92.1073 -92.1073 -0.7399 -0.7399 21.2840 21.2840 21.2858 21.2858 21.8333 21.8333 34.8063 34.8068 k = 0.1051 0.1487 0.2575 ( 685 PWs) bands (ev): -92.1069 -92.1069 -0.6399 -0.6399 21.0403 21.0403 21.0420 21.0420 21.6974 21.6974 34.8845 34.8855 k = 0.1075 0.1520 0.2633 ( 685 PWs) bands (ev): -92.1065 -92.1065 -0.5376 -0.5376 20.7967 20.7967 20.7984 20.7984 21.5635 21.5635 34.9673 34.9687 k = 0.1098 0.1553 0.2690 ( 685 PWs) bands (ev): -92.1062 -92.1062 -0.4331 -0.4331 20.5533 20.5533 20.5550 20.5550 21.4317 21.4317 35.0554 35.0568 k = 0.1121 0.1586 0.2747 ( 691 PWs) bands (ev): -92.1058 -92.1058 -0.3264 -0.3264 20.3105 20.3105 20.3121 20.3121 21.3020 21.3020 35.1496 35.1505 k = 0.1145 0.1619 0.2804 ( 691 PWs) bands (ev): -92.1054 -92.1054 -0.2174 -0.2174 20.0683 20.0683 20.0699 20.0699 21.1744 21.1744 35.2459 35.2478 k = 0.1168 0.1652 0.2862 ( 691 PWs) bands (ev): -92.1051 -92.1051 -0.1062 -0.1062 19.8269 19.8269 19.8285 19.8285 21.0490 21.0490 35.3479 35.3492 k = 0.1192 0.1685 0.2919 ( 691 PWs) bands (ev): -92.1047 -92.1047 0.0072 0.0072 19.5865 19.5865 19.5880 19.5880 20.9257 20.9257 35.4535 35.4553 k = 0.1215 0.1718 0.2976 ( 691 PWs) bands (ev): -92.1044 -92.1044 0.1229 0.1229 19.3472 19.3472 19.3487 19.3487 20.8046 20.8046 35.5633 35.5655 k = 0.1238 0.1751 0.3033 ( 691 PWs) bands (ev): -92.1040 -92.1040 0.2407 0.2407 19.1091 19.1091 19.1106 19.1106 20.6857 20.6857 35.6774 35.6790 k = 0.1262 0.1784 0.3090 ( 691 PWs) bands (ev): -92.1037 -92.1037 0.3608 0.3608 18.8723 18.8723 18.8738 18.8738 20.5690 20.5690 35.7947 35.7965 k = 0.1285 0.1817 0.3148 ( 691 PWs) bands (ev): -92.1033 -92.1033 0.4832 0.4832 18.6370 18.6370 18.6385 18.6385 20.4545 20.4545 35.9168 35.9180 k = 0.1308 0.1850 0.3205 ( 691 PWs) bands (ev): -92.1030 -92.1030 0.6077 0.6077 18.4033 18.4033 18.4047 18.4047 20.3422 20.3422 36.0412 36.0427 k = 0.1332 0.1883 0.3262 ( 691 PWs) bands (ev): -92.1026 -92.1026 0.7345 0.7345 18.1711 18.1711 18.1725 18.1725 20.2321 20.2321 36.1691 36.1701 k = 0.1355 0.1916 0.3319 ( 691 PWs) bands (ev): -92.1023 -92.1023 0.8634 0.8634 17.9407 17.9407 17.9420 17.9420 20.1243 20.1243 36.3002 36.3022 k = 0.1379 0.1950 0.3377 ( 691 PWs) bands (ev): -92.1020 -92.1020 0.9946 0.9946 17.7121 17.7121 17.7134 17.7134 20.0187 20.0187 36.4355 36.4365 k = 0.1402 0.1983 0.3434 ( 691 PWs) bands (ev): -92.1017 -92.1017 1.1280 1.1280 17.4853 17.4853 17.4866 17.4866 19.9153 19.9153 36.5725 36.5744 k = 0.1425 0.2016 0.3491 ( 691 PWs) bands (ev): -92.1014 -92.1014 1.2635 1.2635 17.2604 17.2604 17.2617 17.2617 19.8140 19.8140 36.7128 36.7131 k = 0.1449 0.2049 0.3548 ( 685 PWs) bands (ev): -92.1010 -92.1010 1.4013 1.4013 17.0376 17.0376 17.0389 17.0389 19.7150 19.7150 36.8568 36.8584 k = 0.1472 0.2082 0.3606 ( 685 PWs) bands (ev): -92.1008 -92.1008 1.5412 1.5412 16.8168 16.8168 16.8181 16.8181 19.6182 19.6182 37.0032 37.0050 k = 0.1495 0.2115 0.3663 ( 685 PWs) bands (ev): -92.1005 -92.1005 1.6834 1.6834 16.5981 16.5981 16.5994 16.5994 19.5235 19.5235 37.1520 37.1539 k = 0.1519 0.2148 0.3720 ( 685 PWs) bands (ev): -92.1002 -92.1002 1.8277 1.8277 16.3816 16.3816 16.3828 16.3828 19.4309 19.4309 37.3044 37.3049 k = 0.1542 0.2181 0.3777 ( 685 PWs) bands (ev): -92.0999 -92.0999 1.9741 1.9741 16.1673 16.1673 16.1685 16.1685 19.3406 19.3406 37.4577 37.4590 k = 0.1565 0.2214 0.3834 ( 685 PWs) bands (ev): -92.0996 -92.0996 2.1228 2.1228 15.9552 15.9552 15.9564 15.9564 19.2524 19.2524 37.6145 37.6167 k = 0.1589 0.2247 0.3892 ( 685 PWs) bands (ev): -92.0994 -92.0994 2.2736 2.2736 15.7454 15.7454 15.7465 15.7465 19.1663 19.1663 37.7739 37.7756 k = 0.1612 0.2280 0.3949 ( 685 PWs) bands (ev): -92.0991 -92.0991 2.4265 2.4265 15.5379 15.5379 15.5390 15.5390 19.0824 19.0824 37.9347 37.9364 k = 0.1636 0.2313 0.4006 ( 685 PWs) bands (ev): -92.0989 -92.0989 2.5816 2.5816 15.3327 15.3327 15.3339 15.3339 19.0006 19.0006 38.0984 38.1005 k = 0.1659 0.2346 0.4063 ( 697 PWs) bands (ev): -92.0987 -92.0987 2.7388 2.7388 15.1300 15.1300 15.1311 15.1311 18.9208 18.9208 38.2635 38.2661 k = 0.1682 0.2379 0.4121 ( 691 PWs) bands (ev): -92.0984 -92.0984 2.8981 2.8981 14.9296 14.9296 14.9308 14.9308 18.8434 18.8434 38.4321 38.4336 k = 0.1706 0.2412 0.4178 ( 685 PWs) bands (ev): -92.0982 -92.0982 3.0595 3.0595 14.7318 14.7318 14.7329 14.7329 18.7679 18.7679 38.6014 38.6030 k = 0.1729 0.2445 0.4235 ( 685 PWs) bands (ev): -92.0980 -92.0980 3.2230 3.2230 14.5364 14.5364 14.5375 14.5375 18.6945 18.6945 38.7715 38.7739 k = 0.1752 0.2478 0.4292 ( 685 PWs) bands (ev): -92.0978 -92.0978 3.3886 3.3886 14.3435 14.3435 14.3446 14.3446 18.6231 18.6231 38.9440 38.9458 k = 0.1776 0.2511 0.4350 ( 685 PWs) bands (ev): -92.0976 -92.0976 3.5562 3.5562 14.1531 14.1531 14.1542 14.1542 18.5537 18.5537 39.1193 39.1207 k = 0.1799 0.2544 0.4407 ( 685 PWs) bands (ev): -92.0974 -92.0974 3.7259 3.7259 13.9653 13.9653 13.9663 13.9663 18.4864 18.4864 39.2935 39.2962 k = 0.1822 0.2577 0.4464 ( 691 PWs) bands (ev): -92.0972 -92.0972 3.8976 3.8976 13.7800 13.7800 13.7811 13.7811 18.4210 18.4210 39.4707 39.4731 k = 0.1846 0.2610 0.4521 ( 691 PWs) bands (ev): -92.0971 -92.0971 4.0713 4.0713 13.5973 13.5973 13.5984 13.5984 18.3577 18.3577 39.6489 39.6511 k = 0.1869 0.2643 0.4578 ( 691 PWs) bands (ev): -92.0969 -92.0969 4.2471 4.2471 13.4172 13.4172 13.4183 13.4183 18.2964 18.2964 39.8271 39.8282 k = 0.1893 0.2676 0.4636 ( 691 PWs) bands (ev): -92.0967 -92.0967 4.4247 4.4247 13.2397 13.2397 13.2408 13.2408 18.2370 18.2370 40.0081 40.0096 k = 0.1916 0.2709 0.4693 ( 691 PWs) bands (ev): -92.0966 -92.0966 4.6044 4.6044 13.0649 13.0649 13.0660 13.0660 18.1797 18.1797 40.1881 40.1892 k = 0.1939 0.2743 0.4750 ( 691 PWs) bands (ev): -92.0965 -92.0965 4.7859 4.7859 12.8928 12.8928 12.8938 12.8938 18.1243 18.1243 40.3685 40.3700 k = 0.1963 0.2776 0.4807 ( 691 PWs) bands (ev): -92.0963 -92.0963 4.9693 4.9693 12.7232 12.7232 12.7243 12.7243 18.0709 18.0709 40.5509 40.5521 k = 0.1986 0.2809 0.4865 ( 691 PWs) bands (ev): -92.0962 -92.0962 5.1546 5.1546 12.5564 12.5564 12.5575 12.5575 18.0194 18.0194 40.7303 40.7332 k = 0.2009 0.2842 0.4922 ( 691 PWs) bands (ev): -92.0961 -92.0961 5.3417 5.3417 12.3923 12.3923 12.3933 12.3933 17.9699 17.9699 40.9123 40.9145 k = 0.2033 0.2875 0.4979 ( 691 PWs) bands (ev): -92.0960 -92.0960 5.5306 5.5306 12.2309 12.2309 12.2319 12.2319 17.9223 17.9223 41.0925 41.0930 k = 0.2056 0.2908 0.5036 ( 691 PWs) bands (ev): -92.0959 -92.0959 5.7213 5.7213 12.0722 12.0722 12.0732 12.0732 17.8767 17.8767 41.2739 41.2754 k = 0.2079 0.2941 0.5094 ( 691 PWs) bands (ev): -92.0958 -92.0958 5.9136 5.9136 11.9162 11.9162 11.9172 11.9172 17.8331 17.8331 41.4522 41.4550 k = 0.2103 0.2974 0.5151 ( 691 PWs) bands (ev): -92.0957 -92.0957 6.1077 6.1077 11.7629 11.7629 11.7639 11.7639 17.7914 17.7914 41.6313 41.6335 k = 0.2126 0.3007 0.5208 ( 691 PWs) bands (ev): -92.0957 -92.0957 6.3033 6.3033 11.6124 11.6124 11.6134 11.6134 17.7517 17.7517 41.8075 41.8107 k = 0.2150 0.3040 0.5265 ( 700 PWs) bands (ev): -92.0956 -92.0956 6.5004 6.5004 11.4647 11.4647 11.4657 11.4657 17.7138 17.7138 41.9830 41.9857 k = 0.2173 0.3073 0.5322 ( 700 PWs) bands (ev): -92.0955 -92.0955 6.6991 6.6991 11.3197 11.3197 11.3207 11.3207 17.6781 17.6781 42.1585 42.1592 k = 0.2196 0.3106 0.5380 ( 700 PWs) bands (ev): -92.0955 -92.0955 6.8992 6.8992 11.1775 11.1775 11.1785 11.1785 17.6444 17.6444 42.3275 42.3301 k = 0.2220 0.3139 0.5437 ( 700 PWs) bands (ev): -92.0954 -92.0954 7.1006 7.1006 11.0381 11.0381 11.0391 11.0391 17.6128 17.6128 42.4970 42.4992 k = 0.2243 0.3172 0.5494 ( 694 PWs) bands (ev): -92.0954 -92.0954 7.3033 7.3033 10.9015 10.9015 10.9024 10.9024 17.5834 17.5834 42.6620 42.6638 k = 0.2266 0.3205 0.5551 ( 694 PWs) bands (ev): -92.0953 -92.0953 7.5072 7.5072 10.7676 10.7676 10.7686 10.7686 17.5560 17.5560 42.8233 42.8264 k = 0.2290 0.3238 0.5609 ( 688 PWs) bands (ev): -92.0953 -92.0953 7.7122 7.7122 10.6366 10.6366 10.6375 10.6375 17.5308 17.5308 42.9826 42.9846 k = 0.2313 0.3271 0.5666 ( 688 PWs) bands (ev): -92.0953 -92.0953 7.9182 7.9182 10.5084 10.5084 10.5093 10.5093 17.5078 17.5078 43.1360 43.1384 k = 0.2336 0.3304 0.5723 ( 688 PWs) bands (ev): -92.0953 -92.0953 8.1250 8.1250 10.3829 10.3829 10.3839 10.3839 17.4872 17.4872 43.2841 43.2865 k = 0.2360 0.3337 0.5780 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.3326 8.3326 10.2604 10.2604 10.2613 10.2613 17.4689 17.4689 43.4286 43.4312 k = 0.2383 0.3370 0.5838 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.5407 8.5407 10.1406 10.1406 10.1415 10.1415 17.4530 17.4530 43.5660 43.5682 k = 0.2407 0.3403 0.5895 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.7494 8.7494 10.0236 10.0236 10.0246 10.0246 17.4398 17.4398 43.6983 43.7006 k = 0.2430 0.3436 0.5952 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.9583 8.9583 9.9095 9.9095 9.9105 9.9105 17.4292 17.4292 43.8217 43.8251 k = 0.2453 0.3469 0.6009 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.1673 9.1673 9.7983 9.7983 9.7992 9.7992 17.4215 17.4215 43.9397 43.9413 k = 0.2477 0.3502 0.6066 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.3762 9.3762 9.6898 9.6898 9.6908 9.6908 17.4168 17.4168 44.0487 44.0513 k = 0.2500 0.3536 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.5838 9.5838 9.5852 9.5852 9.5852 9.5852 17.4151 17.4151 44.1490 44.1508 k = 0.2500 0.3536 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.5838 9.5838 9.5852 9.5852 9.5852 9.5852 17.4151 17.4151 44.1489 44.1517 k = 0.2523 0.3469 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.4815 9.4815 9.4824 9.4824 9.7927 9.7927 17.4168 17.4168 43.9571 43.9571 k = 0.2547 0.3403 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.3816 9.3816 9.3826 9.3826 9.9998 9.9998 17.4220 17.4220 43.7611 43.7611 k = 0.2570 0.3337 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.2846 9.2846 9.2855 9.2855 10.2058 10.2058 17.4310 17.4310 43.5626 43.5626 k = 0.2593 0.3271 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.1905 9.1905 9.1914 9.1914 10.4104 10.4104 17.4440 17.4440 43.3617 43.3617 k = 0.2617 0.3205 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.0992 9.0992 9.1001 9.1001 10.6131 10.6131 17.4613 17.4613 43.1587 43.1587 k = 0.2640 0.3139 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.0107 9.0107 9.0116 9.0116 10.8136 10.8136 17.4832 17.4832 42.9540 42.9540 k = 0.2664 0.3073 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.9251 8.9251 8.9261 8.9261 11.0115 11.0115 17.5101 17.5101 42.7477 42.7477 k = 0.2687 0.3007 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.8424 8.8424 8.8434 8.8434 11.2064 11.2064 17.5422 17.5422 42.5403 42.5403 k = 0.2710 0.2941 0.6124 ( 685 PWs) bands (ev): -92.0952 -92.0952 8.7626 8.7626 8.7635 8.7635 11.3978 11.3978 17.5801 17.5801 42.3320 42.3320 k = 0.2734 0.2875 0.6124 ( 685 PWs) bands (ev): -92.0952 -92.0952 8.6857 8.6857 8.6866 8.6866 11.5851 11.5851 17.6241 17.6241 42.1232 42.1232 k = 0.2757 0.2809 0.6124 ( 682 PWs) bands (ev): -92.0952 -92.0952 8.6116 8.6116 8.6125 8.6125 11.7679 11.7679 17.6747 17.6747 41.9141 41.9141 k = 0.2780 0.2743 0.6124 ( 682 PWs) bands (ev): -92.0952 -92.0952 8.5404 8.5404 8.5413 8.5413 11.9457 11.9457 17.7322 17.7322 41.7050 41.7050 k = 0.2804 0.2676 0.6124 ( 682 PWs) bands (ev): -92.0952 -92.0952 8.4720 8.4720 8.4729 8.4729 12.1178 12.1178 17.7972 17.7972 41.4964 41.4964 k = 0.2827 0.2610 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.4066 8.4066 8.4075 8.4075 12.2838 12.2838 17.8699 17.8699 41.2884 41.2884 k = 0.2850 0.2544 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.3440 8.3440 8.3449 8.3449 12.4432 12.4432 17.9509 17.9509 41.0815 41.0815 k = 0.2874 0.2478 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.2843 8.2843 8.2852 8.2852 12.5955 12.5955 18.0407 18.0407 40.8759 40.8759 k = 0.2897 0.2412 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.2275 8.2275 8.2284 8.2284 12.7403 12.7403 18.1393 18.1393 40.6720 40.6720 k = 0.2921 0.2346 0.6124 ( 694 PWs) bands (ev): -92.0952 -92.0952 8.1736 8.1736 8.1745 8.1745 12.8771 12.8771 18.2471 18.2471 40.4700 40.4700 k = 0.2944 0.2280 0.6124 ( 694 PWs) bands (ev): -92.0951 -92.0951 8.1225 8.1225 8.1234 8.1234 13.0058 13.0058 18.3643 18.3643 40.2703 40.2703 k = 0.2967 0.2214 0.6124 ( 694 PWs) bands (ev): -92.0951 -92.0951 8.0744 8.0744 8.0752 8.0752 13.1261 13.1261 18.4909 18.4909 40.0733 40.0733 k = 0.2991 0.2148 0.6124 ( 694 PWs) bands (ev): -92.0951 -92.0951 8.0291 8.0291 8.0300 8.0300 13.2379 13.2379 18.6269 18.6269 39.8791 39.8791 k = 0.3014 0.2082 0.6124 ( 694 PWs) bands (ev): -92.0951 -92.0951 7.9867 7.9867 7.9876 7.9876 13.3413 13.3413 18.7721 18.7721 39.6882 39.6882 k = 0.3037 0.2016 0.6124 ( 694 PWs) bands (ev): -92.0950 -92.0950 7.9472 7.9472 7.9480 7.9480 13.4362 13.4362 18.9264 18.9264 39.5008 39.5008 k = 0.3061 0.1950 0.6124 ( 694 PWs) bands (ev): -92.0950 -92.0950 7.9105 7.9105 7.9114 7.9114 13.5229 13.5229 19.0892 19.0892 39.3172 39.3172 k = 0.3084 0.1883 0.6124 ( 694 PWs) bands (ev): -92.0949 -92.0949 7.8768 7.8768 7.8776 7.8776 13.6016 13.6016 19.2604 19.2604 39.1379 39.1379 k = 0.3107 0.1817 0.6124 ( 694 PWs) bands (ev): -92.0949 -92.0949 7.8459 7.8459 7.8468 7.8468 13.6726 13.6726 19.4392 19.4392 38.9630 38.9630 k = 0.3131 0.1751 0.6124 ( 703 PWs) bands (ev): -92.0948 -92.0948 7.8179 7.8179 7.8187 7.8187 13.7363 13.7363 19.6251 19.6251 38.7927 38.7927 k = 0.3154 0.1685 0.6124 ( 700 PWs) bands (ev): -92.0947 -92.0947 7.7927 7.7927 7.7936 7.7936 13.7931 13.7931 19.8177 19.8177 38.6279 38.6279 k = 0.3178 0.1619 0.6124 ( 700 PWs) bands (ev): -92.0947 -92.0947 7.7705 7.7705 7.7714 7.7714 13.8433 13.8433 20.0162 20.0162 38.4685 38.4685 k = 0.3201 0.1553 0.6124 ( 700 PWs) bands (ev): -92.0946 -92.0946 7.7511 7.7511 7.7520 7.7520 13.8873 13.8873 20.2201 20.2201 38.3149 38.3149 k = 0.3224 0.1487 0.6124 ( 700 PWs) bands (ev): -92.0945 -92.0945 7.7346 7.7346 7.7355 7.7355 13.9256 13.9256 20.4285 20.4285 38.1675 38.1675 k = 0.3248 0.1421 0.6124 ( 712 PWs) bands (ev): -92.0944 -92.0944 7.7210 7.7210 7.7219 7.7219 13.9586 13.9586 20.6407 20.6407 38.0265 38.0265 k = 0.3271 0.1355 0.6124 ( 712 PWs) bands (ev): -92.0943 -92.0943 7.7102 7.7102 7.7111 7.7111 13.9866 13.9866 20.8564 20.8564 37.8926 37.8926 k = 0.3294 0.1289 0.6124 ( 712 PWs) bands (ev): -92.0942 -92.0942 7.7023 7.7023 7.7032 7.7032 14.0100 14.0100 21.0747 21.0747 37.7660 37.7660 k = 0.3318 0.1223 0.6124 ( 712 PWs) bands (ev): -92.0941 -92.0941 7.6973 7.6973 7.6982 7.6982 14.0292 14.0292 21.2948 21.2948 37.6472 37.6472 k = 0.3341 0.1156 0.6124 ( 712 PWs) bands (ev): -92.0940 -92.0940 7.6951 7.6951 7.6960 7.6960 14.0445 14.0445 21.5162 21.5162 37.5366 37.5366 k = 0.3364 0.1090 0.6124 ( 712 PWs) bands (ev): -92.0939 -92.0939 7.6958 7.6958 7.6967 7.6967 14.0561 14.0561 21.7382 21.7382 37.4346 37.4347 k = 0.3388 0.1024 0.6124 ( 712 PWs) bands (ev): -92.0938 -92.0938 7.6993 7.6993 7.7002 7.7002 14.0644 14.0644 21.9600 21.9600 37.1632 37.3417 k = 0.3411 0.0958 0.6124 ( 712 PWs) bands (ev): -92.0936 -92.0936 7.7057 7.7057 7.7066 7.7066 14.0696 14.0696 22.1811 22.1811 36.7906 36.7914 k = 0.3435 0.0892 0.6124 ( 712 PWs) bands (ev): -92.0935 -92.0935 7.7150 7.7150 7.7159 7.7159 14.0719 14.0719 22.4008 22.4008 36.4184 36.4188 k = 0.3458 0.0826 0.6124 ( 700 PWs) bands (ev): -92.0933 -92.0933 7.7271 7.7271 7.7279 7.7279 14.0715 14.0715 22.6184 22.6184 36.0455 36.0466 k = 0.3481 0.0760 0.6124 ( 700 PWs) bands (ev): -92.0932 -92.0932 7.7420 7.7420 7.7429 7.7429 14.0687 14.0687 22.8333 22.8333 35.6738 35.6747 k = 0.3505 0.0694 0.6124 ( 700 PWs) bands (ev): -92.0930 -92.0930 7.7597 7.7597 7.7606 7.7606 14.0635 14.0635 23.0448 23.0448 35.3030 35.3037 k = 0.3528 0.0628 0.6124 ( 700 PWs) bands (ev): -92.0928 -92.0928 7.7803 7.7803 7.7812 7.7812 14.0562 14.0562 23.2522 23.2522 34.9329 34.9334 k = 0.3551 0.0562 0.6124 ( 703 PWs) bands (ev): -92.0927 -92.0927 7.8037 7.8037 7.8046 7.8046 14.0469 14.0469 23.4550 23.4550 34.5642 34.5647 k = 0.3575 0.0496 0.6124 ( 703 PWs) bands (ev): -92.0925 -92.0925 7.8299 7.8299 7.8308 7.8308 14.0357 14.0357 23.6526 23.6526 34.1961 34.1969 k = 0.3598 0.0430 0.6124 ( 703 PWs) bands (ev): -92.0923 -92.0923 7.8589 7.8589 7.8598 7.8598 14.0229 14.0229 23.8444 23.8444 33.8300 33.8306 k = 0.3621 0.0363 0.6124 ( 703 PWs) bands (ev): -92.0921 -92.0921 7.8908 7.8908 7.8917 7.8917 14.0084 14.0084 24.0297 24.0297 33.4657 33.4664 k = 0.3645 0.0297 0.6124 ( 703 PWs) bands (ev): -92.0919 -92.0919 7.9254 7.9254 7.9263 7.9263 13.9925 13.9925 24.2082 24.2082 33.1028 33.1033 k = 0.3668 0.0231 0.6124 ( 703 PWs) bands (ev): -92.0917 -92.0917 7.9628 7.9628 7.9637 7.9637 13.9751 13.9751 24.3793 24.3793 32.7422 32.7427 k = 0.3692 0.0165 0.6124 ( 703 PWs) bands (ev): -92.0915 -92.0915 8.0029 8.0029 8.0039 8.0039 13.9565 13.9565 24.5427 24.5427 32.3830 32.3836 k = 0.3715 0.0099 0.6124 ( 703 PWs) bands (ev): -92.0913 -92.0913 8.0459 8.0459 8.0468 8.0468 13.9367 13.9367 24.6979 24.6979 32.0261 32.0269 k = 0.3738 0.0033 0.6124 ( 703 PWs) bands (ev): -92.0911 -92.0911 8.0916 8.0916 8.0925 8.0925 13.9158 13.9158 24.8447 24.8447 31.6719 31.6723 k = 0.3762-0.0033 0.6124 ( 691 PWs) bands (ev): -92.0909 -92.0909 8.1400 8.1400 8.1410 8.1410 13.8938 13.8938 24.9831 24.9831 31.3191 31.3198 k = 0.3785-0.0099 0.6124 ( 691 PWs) bands (ev): -92.0907 -92.0907 8.1912 8.1912 8.1921 8.1921 13.8709 13.8709 25.1126 25.1126 30.9691 30.9695 k = 0.3808-0.0165 0.6124 ( 691 PWs) bands (ev): -92.0904 -92.0904 8.2451 8.2451 8.2460 8.2460 13.8471 13.8471 25.2333 25.2333 30.6215 30.6219 k = 0.3832-0.0231 0.6124 ( 691 PWs) bands (ev): -92.0902 -92.0902 8.3017 8.3017 8.3027 8.3027 13.8225 13.8225 25.3452 25.3452 30.2766 30.2770 k = 0.3855-0.0297 0.6124 ( 691 PWs) bands (ev): -92.0900 -92.0900 8.3610 8.3610 8.3620 8.3620 13.7972 13.7972 25.4485 25.4485 29.9337 29.9343 k = 0.3879-0.0363 0.6124 ( 691 PWs) bands (ev): -92.0897 -92.0897 8.4230 8.4230 8.4239 8.4239 13.7711 13.7711 25.5432 25.5432 29.5939 29.5943 k = 0.3902-0.0430 0.6124 ( 691 PWs) bands (ev): -92.0895 -92.0895 8.4876 8.4876 8.4886 8.4886 13.7445 13.7445 25.6297 25.6297 29.2563 29.2569 k = 0.3925-0.0496 0.6124 ( 691 PWs) bands (ev): -92.0893 -92.0893 8.5549 8.5549 8.5558 8.5558 13.7174 13.7174 25.7082 25.7082 28.9218 28.9220 k = 0.3949-0.0562 0.6124 ( 691 PWs) bands (ev): -92.0890 -92.0890 8.6248 8.6248 8.6257 8.6257 13.6898 13.6898 25.7790 25.7790 28.5901 28.5905 k = 0.3972-0.0628 0.6124 ( 694 PWs) bands (ev): -92.0888 -92.0888 8.6973 8.6973 8.6982 8.6982 13.6617 13.6617 25.8425 25.8425 28.2612 28.2614 k = 0.3995-0.0694 0.6124 ( 694 PWs) bands (ev): -92.0885 -92.0885 8.7723 8.7723 8.7733 8.7733 13.6333 13.6333 25.8992 25.8992 27.9350 27.9357 k = 0.4019-0.0760 0.6124 ( 694 PWs) bands (ev): -92.0883 -92.0883 8.8500 8.8500 8.8509 8.8509 13.6046 13.6046 25.9494 25.9494 27.6121 27.6125 k = 0.4042-0.0826 0.6124 ( 694 PWs) bands (ev): -92.0880 -92.0880 8.9301 8.9301 8.9310 8.9310 13.5757 13.5757 25.9935 25.9935 27.2921 27.2923 k = 0.4065-0.0892 0.6124 ( 688 PWs) bands (ev): -92.0878 -92.0878 9.0127 9.0127 9.0137 9.0137 13.5466 13.5466 26.0322 26.0322 26.9750 26.9753 k = 0.4089-0.0958 0.6124 ( 694 PWs) bands (ev): -92.0876 -92.0876 9.0978 9.0978 9.0987 9.0987 13.5173 13.5173 26.0655 26.0655 26.6612 26.6616 k = 0.4112-0.1024 0.6124 ( 694 PWs) bands (ev): -92.0873 -92.0873 9.1853 9.1853 9.1862 9.1862 13.4880 13.4880 26.0940 26.0940 26.3507 26.3510 k = 0.4136-0.1090 0.6124 ( 694 PWs) bands (ev): -92.0871 -92.0871 9.2751 9.2751 9.2761 9.2761 13.4587 13.4587 26.0434 26.0435 26.1182 26.1182 k = 0.4159-0.1156 0.6124 ( 694 PWs) bands (ev): -92.0868 -92.0868 9.3673 9.3673 9.3683 9.3683 13.4294 13.4294 25.7389 25.7394 26.1384 26.1384 k = 0.4182-0.1223 0.6124 ( 694 PWs) bands (ev): -92.0866 -92.0866 9.4618 9.4618 9.4628 9.4628 13.4002 13.4002 25.4381 25.4381 25.4387 25.4387 k = 0.4206-0.1289 0.6124 ( 694 PWs) bands (ev): -92.0863 -92.0863 9.5586 9.5586 9.5596 9.5596 13.3712 13.3712 25.1410 25.1411 26.1684 26.1684 k = 0.4229-0.1355 0.6124 ( 694 PWs) bands (ev): -92.0861 -92.0861 9.6575 9.6575 9.6585 9.6585 13.3424 13.3424 24.8469 24.8473 24.8475 26.1789 k = 0.4252-0.1421 0.6124 ( 691 PWs) bands (ev): -92.0859 -92.0859 9.7585 9.7585 9.7595 9.7595 13.3138 13.3138 24.5567 24.5567 24.5573 24.5573 k = 0.4276-0.1487 0.6124 ( 697 PWs) bands (ev): -92.0856 -92.0856 9.8615 9.8615 9.8626 9.8626 13.2855 13.2855 24.2702 24.2702 24.2707 24.2707 k = 0.4299-0.1553 0.6124 ( 697 PWs) bands (ev): -92.0854 -92.0854 9.9665 9.9665 9.9676 9.9676 13.2575 13.2575 23.9874 23.9874 23.9879 23.9879 k = 0.4322-0.1619 0.6124 ( 691 PWs) bands (ev): -92.0852 -92.0852 10.0734 10.0734 10.0745 10.0745 13.2300 13.2300 23.7085 23.7085 23.7090 23.7090 k = 0.4346-0.1685 0.6124 ( 691 PWs) bands (ev): -92.0850 -92.0850 10.1821 10.1821 10.1832 10.1832 13.2030 13.2030 23.4336 23.4336 23.4341 23.4341 k = 0.4369-0.1751 0.6124 ( 691 PWs) bands (ev): -92.0847 -92.0847 10.2925 10.2925 10.2935 10.2935 13.1764 13.1764 23.1627 23.1627 23.1632 23.1632 k = 0.4393-0.1817 0.6124 ( 691 PWs) bands (ev): -92.0845 -92.0845 10.4044 10.4044 10.4055 10.4055 13.1503 13.1503 22.8961 22.8961 22.8966 22.8966 k = 0.4416-0.1883 0.6124 ( 697 PWs) bands (ev): -92.0843 -92.0843 10.5177 10.5177 10.5188 10.5188 13.1248 13.1248 22.6338 22.6338 22.6343 22.6343 k = 0.4439-0.1950 0.6124 ( 697 PWs) bands (ev): -92.0841 -92.0841 10.6323 10.6323 10.6334 10.6334 13.1000 13.1000 22.3760 22.3760 22.3765 22.3765 k = 0.4463-0.2016 0.6124 ( 697 PWs) bands (ev): -92.0839 -92.0839 10.7480 10.7480 10.7491 10.7491 13.0759 13.0759 22.1230 22.1230 22.1234 22.1234 k = 0.4486-0.2082 0.6124 ( 697 PWs) bands (ev): -92.0837 -92.0837 10.8646 10.8646 10.8657 10.8657 13.0524 13.0524 21.8748 21.8748 21.8752 21.8752 k = 0.4509-0.2148 0.6124 ( 697 PWs) bands (ev): -92.0835 -92.0835 10.9819 10.9819 10.9830 10.9830 13.0297 13.0297 21.6317 21.6317 21.6321 21.6321 k = 0.4533-0.2214 0.6124 ( 688 PWs) bands (ev): -92.0834 -92.0834 11.0997 11.0997 11.1008 11.1008 13.0078 13.0078 21.3940 21.3940 21.3944 21.3944 k = 0.4556-0.2280 0.6124 ( 688 PWs) bands (ev): -92.0832 -92.0832 11.2176 11.2176 11.2188 11.2188 12.9868 12.9868 21.1619 21.1619 21.1623 21.1623 k = 0.4579-0.2346 0.6124 ( 688 PWs) bands (ev): -92.0830 -92.0830 11.3355 11.3355 11.3367 11.3367 12.9666 12.9666 20.9357 20.9357 20.9361 20.9361 k = 0.4603-0.2412 0.6124 ( 688 PWs) bands (ev): -92.0829 -92.0829 11.4529 11.4529 11.4541 11.4541 12.9472 12.9472 20.7159 20.7159 20.7162 20.7162 k = 0.4626-0.2478 0.6124 ( 688 PWs) bands (ev): -92.0827 -92.0827 11.5694 11.5694 11.5706 11.5706 12.9289 12.9289 20.5027 20.5027 20.5030 20.5030 k = 0.4650-0.2544 0.6124 ( 688 PWs) bands (ev): -92.0826 -92.0826 11.6847 11.6847 11.6859 11.6859 12.9114 12.9114 20.2966 20.2966 20.2969 20.2969 k = 0.4673-0.2610 0.6124 ( 688 PWs) bands (ev): -92.0824 -92.0824 11.7981 11.7981 11.7994 11.7994 12.8950 12.8950 20.0981 20.0981 20.0984 20.0984 k = 0.4696-0.2676 0.6124 ( 688 PWs) bands (ev): -92.0823 -92.0823 11.9093 11.9093 11.9106 11.9106 12.8796 12.8796 19.9079 19.9079 19.9081 19.9081 k = 0.4720-0.2743 0.6124 ( 682 PWs) bands (ev): -92.0822 -92.0822 12.0175 12.0175 12.0188 12.0188 12.8652 12.8652 19.7264 19.7264 19.7266 19.7266 k = 0.4743-0.2809 0.6124 ( 682 PWs) bands (ev): -92.0821 -92.0821 12.1220 12.1220 12.1234 12.1234 12.8518 12.8518 19.5544 19.5544 19.5546 19.5546 k = 0.4766-0.2875 0.6124 ( 682 PWs) bands (ev): -92.0820 -92.0820 12.2221 12.2221 12.2235 12.2235 12.8396 12.8396 19.3928 19.3928 19.3929 19.3929 k = 0.4790-0.2941 0.6124 ( 682 PWs) bands (ev): -92.0819 -92.0819 12.3170 12.3170 12.3184 12.3184 12.8285 12.8285 19.2422 19.2422 19.2423 19.2423 k = 0.4813-0.3007 0.6124 ( 682 PWs) bands (ev): -92.0818 -92.0818 12.4057 12.4057 12.4071 12.4071 12.8185 12.8185 19.1037 19.1037 19.1038 19.1038 k = 0.4836-0.3073 0.6124 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.4872 12.4872 12.4887 12.4887 12.8096 12.8096 18.9781 18.9781 18.9782 18.9782 k = 0.4860-0.3139 0.6124 ( 682 PWs) bands (ev): -92.0817 -92.0817 12.5607 12.5607 12.5621 12.5621 12.8019 12.8019 18.8665 18.8665 18.8666 18.8666 k = 0.4883-0.3205 0.6124 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.6250 12.6250 12.6265 12.6265 12.7953 12.7953 18.7699 18.7699 18.7700 18.7700 k = 0.4907-0.3271 0.6124 ( 682 PWs) bands (ev): -92.0816 -92.0816 12.6792 12.6792 12.6808 12.6808 12.7900 12.7900 18.6893 18.6893 18.6893 18.6893 k = 0.4930-0.3337 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7225 12.7225 12.7240 12.7240 12.7858 12.7858 18.6255 18.6255 18.6255 18.6255 k = 0.4953-0.3403 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7540 12.7540 12.7555 12.7555 12.7828 12.7828 18.5793 18.5793 18.5793 18.5793 k = 0.4977-0.3469 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7730 12.7730 12.7747 12.7747 12.7811 12.7811 18.5513 18.5513 18.5514 18.5514 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -92.0815 -92.0815 12.7788 12.7788 12.7811 12.7811 12.7811 12.7811 18.5420 18.5420 18.5420 26.0867 k = 0.2500 0.3536 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.5838 9.5838 9.5852 9.5852 9.5852 9.5852 17.4151 17.4151 44.1487 44.1518 k = 0.2460 0.3479 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.4064 9.4064 9.5845 9.5845 9.7659 9.7659 17.4168 17.4168 43.9835 43.9835 k = 0.2419 0.3421 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.2308 9.2308 9.5837 9.5837 9.9498 9.9498 17.4217 17.4217 43.8139 43.8139 k = 0.2379 0.3364 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 9.0581 9.0581 9.5823 9.5823 10.1366 10.1366 17.4299 17.4299 43.6416 43.6416 k = 0.2339 0.3307 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.8882 8.8882 9.5805 9.5805 10.3261 10.3261 17.4414 17.4414 43.4665 43.4665 k = 0.2298 0.3250 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.7212 8.7212 9.5781 9.5781 10.5185 10.5185 17.4562 17.4562 43.2884 43.2884 k = 0.2258 0.3193 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.5569 8.5569 9.5753 9.5753 10.7136 10.7136 17.4742 17.4742 43.1074 43.1074 k = 0.2218 0.3136 0.6124 ( 688 PWs) bands (ev): -92.0952 -92.0952 8.3956 8.3956 9.5719 9.5719 10.9114 10.9114 17.4954 17.4954 42.9232 42.9232 k = 0.2177 0.3079 0.6124 ( 688 PWs) bands (ev): -92.0953 -92.0953 8.2370 8.2370 9.5681 9.5681 11.1121 11.1121 17.5198 17.5198 42.7360 42.7360 k = 0.2137 0.3022 0.6124 ( 688 PWs) bands (ev): -92.0953 -92.0953 8.0814 8.0814 9.5638 9.5638 11.3154 11.3154 17.5473 17.5473 42.5453 42.5453 k = 0.2097 0.2965 0.6124 ( 686 PWs) bands (ev): -92.0953 -92.0953 7.9285 7.9285 9.5591 9.5591 11.5215 11.5215 17.5780 17.5780 42.3513 42.3513 k = 0.2056 0.2908 0.6124 ( 690 PWs) bands (ev): -92.0953 -92.0953 7.7786 7.7786 9.5539 9.5539 11.7303 11.7303 17.6116 17.6116 42.1535 42.1535 k = 0.2016 0.2851 0.6124 ( 694 PWs) bands (ev): -92.0953 -92.0953 7.6315 7.6315 9.5483 9.5483 11.9419 11.9419 17.6483 17.6483 41.9520 41.9520 k = 0.1976 0.2794 0.6124 ( 690 PWs) bands (ev): -92.0953 -92.0953 7.4872 7.4872 9.5423 9.5423 12.1561 12.1561 17.6881 17.6881 41.7465 41.7465 k = 0.1935 0.2737 0.6124 ( 690 PWs) bands (ev): -92.0954 -92.0954 7.3459 7.3459 9.5359 9.5359 12.3730 12.3730 17.7307 17.7307 41.5368 41.5368 k = 0.1895 0.2680 0.6124 ( 690 PWs) bands (ev): -92.0954 -92.0954 7.2074 7.2074 9.5292 9.5292 12.5926 12.5926 17.7762 17.7762 41.3226 41.3226 k = 0.1855 0.2623 0.6124 ( 690 PWs) bands (ev): -92.0954 -92.0954 7.0718 7.0718 9.5221 9.5221 12.8148 12.8148 17.8245 17.8245 41.1039 41.1039 k = 0.1815 0.2566 0.6124 ( 690 PWs) bands (ev): -92.0954 -92.0954 6.9390 6.9390 9.5148 9.5148 13.0397 13.0397 17.8755 17.8755 40.8804 40.8804 k = 0.1774 0.2509 0.6124 ( 690 PWs) bands (ev): -92.0955 -92.0955 6.8092 6.8092 9.5072 9.5072 13.2672 13.2672 17.9292 17.9292 40.6519 40.6519 k = 0.1734 0.2452 0.6124 ( 690 PWs) bands (ev): -92.0955 -92.0955 6.6822 6.6822 9.4993 9.4993 13.4973 13.4973 17.9855 17.9855 40.4182 40.4182 k = 0.1694 0.2395 0.6124 ( 694 PWs) bands (ev): -92.0955 -92.0955 6.5582 6.5582 9.4911 9.4911 13.7300 13.7300 18.0442 18.0442 40.1791 40.1791 k = 0.1653 0.2338 0.6124 ( 694 PWs) bands (ev): -92.0956 -92.0956 6.4370 6.4370 9.4828 9.4828 13.9652 13.9652 18.1054 18.1054 39.9346 39.9346 k = 0.1613 0.2281 0.6124 ( 694 PWs) bands (ev): -92.0956 -92.0956 6.3187 6.3187 9.4743 9.4743 14.2030 14.2030 18.1690 18.1690 39.6846 39.6846 k = 0.1573 0.2224 0.6124 ( 692 PWs) bands (ev): -92.0956 -92.0956 6.2033 6.2033 9.4656 9.4656 14.4433 14.4433 18.2348 18.2348 39.4289 39.4289 k = 0.1532 0.2167 0.6124 ( 692 PWs) bands (ev): -92.0957 -92.0957 6.0908 6.0908 9.4568 9.4568 14.6860 14.6860 18.3026 18.3026 39.1674 39.1674 k = 0.1492 0.2110 0.6124 ( 692 PWs) bands (ev): -92.0957 -92.0957 5.9812 5.9812 9.4480 9.4480 14.9312 14.9312 18.3726 18.3726 38.9004 38.9004 k = 0.1452 0.2053 0.6124 ( 692 PWs) bands (ev): -92.0957 -92.0957 5.8745 5.8745 9.4390 9.4390 15.1789 15.1789 18.4444 18.4444 38.6276 38.6276 k = 0.1411 0.1996 0.6124 ( 692 PWs) bands (ev): -92.0958 -92.0958 5.7707 5.7707 9.4299 9.4299 15.4289 15.4289 18.5180 18.5180 38.3494 38.3494 k = 0.1371 0.1939 0.6124 ( 696 PWs) bands (ev): -92.0958 -92.0958 5.6698 5.6698 9.4209 9.4209 15.6812 15.6812 18.5932 18.5932 38.0656 38.0656 k = 0.1331 0.1882 0.6124 ( 696 PWs) bands (ev): -92.0959 -92.0959 5.5718 5.5718 9.4118 9.4118 15.9359 15.9359 18.6699 18.6699 37.7767 37.7767 k = 0.1290 0.1825 0.6124 ( 700 PWs) bands (ev): -92.0959 -92.0959 5.4767 5.4767 9.4028 9.4028 16.1928 16.1928 18.7480 18.7480 37.4827 37.4827 k = 0.1250 0.1768 0.6124 ( 700 PWs) bands (ev): -92.0959 -92.0959 5.3846 5.3846 9.3938 9.3938 16.4519 16.4519 18.8275 18.8275 37.1840 37.1840 k = 0.1210 0.1711 0.6124 ( 700 PWs) bands (ev): -92.0960 -92.0960 5.2953 5.2953 9.3848 9.3848 16.7131 16.7131 18.9080 18.9080 36.8808 36.8808 k = 0.1169 0.1654 0.6124 ( 696 PWs) bands (ev): -92.0960 -92.0960 5.2090 5.2090 9.3760 9.3760 16.9764 16.9764 18.9894 18.9894 36.5734 36.5734 k = 0.1129 0.1597 0.6124 ( 696 PWs) bands (ev): -92.0960 -92.0960 5.1256 5.1256 9.3672 9.3672 17.2417 17.2417 19.0716 19.0716 36.2622 36.2622 k = 0.1089 0.1540 0.6124 ( 696 PWs) bands (ev): -92.0961 -92.0961 5.0451 5.0451 9.3586 9.3586 17.5089 17.5089 19.1543 19.1543 35.9475 35.9475 k = 0.1048 0.1483 0.6124 ( 696 PWs) bands (ev): -92.0961 -92.0961 4.9675 4.9675 9.3501 9.3501 17.7779 17.7779 19.2373 19.2373 35.6298 35.6298 k = 0.1008 0.1426 0.6124 ( 696 PWs) bands (ev): -92.0961 -92.0961 4.8928 4.8928 9.3417 9.3417 18.0487 18.0487 19.3206 19.3206 35.3095 35.3095 k = 0.0968 0.1369 0.6124 ( 696 PWs) bands (ev): -92.0962 -92.0962 4.8211 4.8211 9.3336 9.3336 18.3210 18.3210 19.4038 19.4038 34.9869 34.9869 k = 0.0927 0.1312 0.6124 ( 696 PWs) bands (ev): -92.0962 -92.0962 4.7522 4.7522 9.3256 9.3256 18.5948 18.5948 19.4868 19.4868 34.6626 34.6626 k = 0.0887 0.1255 0.6124 ( 694 PWs) bands (ev): -92.0963 -92.0963 4.6863 4.6863 9.3179 9.3179 18.8699 18.8699 19.5692 19.5692 34.3369 34.3369 k = 0.0847 0.1198 0.6124 ( 694 PWs) bands (ev): -92.0963 -92.0963 4.6234 4.6234 9.3104 9.3104 19.1461 19.1461 19.6510 19.6510 34.0103 34.0103 k = 0.0806 0.1140 0.6124 ( 694 PWs) bands (ev): -92.0963 -92.0963 4.5633 4.5633 9.3032 9.3032 19.4232 19.4232 19.7317 19.7317 33.6834 33.6834 k = 0.0766 0.1083 0.6124 ( 694 PWs) bands (ev): -92.0963 -92.0963 4.5062 4.5062 9.2962 9.2962 19.7010 19.7010 19.8111 19.8111 33.3567 33.3567 k = 0.0726 0.1026 0.6124 ( 698 PWs) bands (ev): -92.0964 -92.0964 4.4519 4.4519 9.2895 9.2895 19.8890 19.8890 19.9791 19.9791 33.0306 33.0306 k = 0.0685 0.0969 0.6124 ( 698 PWs) bands (ev): -92.0964 -92.0964 4.4007 4.4007 9.2831 9.2831 19.9651 19.9651 20.2573 20.2573 32.7058 32.7058 k = 0.0645 0.0912 0.6124 ( 696 PWs) bands (ev): -92.0964 -92.0964 4.3523 4.3523 9.2770 9.2770 20.0391 20.0391 20.5350 20.5350 32.3830 32.3830 k = 0.0605 0.0855 0.6124 ( 696 PWs) bands (ev): -92.0965 -92.0965 4.3069 4.3069 9.2712 9.2712 20.1107 20.1107 20.8119 20.8119 32.0627 32.0627 k = 0.0565 0.0798 0.6124 ( 696 PWs) bands (ev): -92.0965 -92.0965 4.2644 4.2644 9.2657 9.2657 20.1796 20.1796 21.0873 21.0873 31.7459 31.7459 k = 0.0524 0.0741 0.6124 ( 696 PWs) bands (ev): -92.0965 -92.0965 4.2248 4.2248 9.2605 9.2605 20.2455 20.2455 21.3605 21.3605 31.4333 31.4333 k = 0.0484 0.0684 0.6124 ( 688 PWs) bands (ev): -92.0965 -92.0965 4.1882 4.1882 9.2557 9.2557 20.3081 20.3081 21.6306 21.6306 31.1262 31.1262 k = 0.0444 0.0627 0.6124 ( 688 PWs) bands (ev): -92.0965 -92.0965 4.1544 4.1544 9.2513 9.2513 20.3670 20.3670 21.8965 21.8965 30.8257 30.8257 k = 0.0403 0.0570 0.6124 ( 688 PWs) bands (ev): -92.0966 -92.0966 4.1237 4.1237 9.2472 9.2472 20.4221 20.4221 22.1568 22.1568 30.5333 30.5333 k = 0.0363 0.0513 0.6124 ( 688 PWs) bands (ev): -92.0966 -92.0966 4.0958 4.0958 9.2435 9.2435 20.4729 20.4729 22.4099 22.4099 30.2509 30.2509 k = 0.0323 0.0456 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 4.0709 4.0709 9.2401 9.2401 20.5192 20.5192 22.6535 22.6535 29.9808 29.9808 k = 0.0282 0.0399 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 4.0489 4.0489 9.2372 9.2372 20.5608 20.5608 22.8849 22.8849 29.7257 29.7257 k = 0.0242 0.0342 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 4.0298 4.0298 9.2346 9.2346 20.5974 20.5974 23.1009 23.1009 29.4890 29.4890 k = 0.0202 0.0285 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 4.0137 4.0137 9.2324 9.2324 20.6287 20.6287 23.2974 23.2974 29.2749 29.2749 k = 0.0161 0.0228 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 4.0005 4.0005 9.2306 9.2306 20.6547 20.6547 23.4695 23.4695 29.0883 29.0883 k = 0.0121 0.0171 0.6124 ( 682 PWs) bands (ev): -92.0966 -92.0966 3.9902 3.9902 9.2292 9.2292 20.6750 20.6750 23.6119 23.6119 28.9346 28.9346 k = 0.0081 0.0114 0.6124 ( 686 PWs) bands (ev): -92.0966 -92.0966 3.9829 3.9829 9.2282 9.2282 20.6896 20.6896 23.7190 23.7190 28.8194 28.8194 k = 0.0040 0.0057 0.6124 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9785 3.9785 9.2276 9.2276 20.6984 20.6984 23.7856 23.7856 28.7478 28.7478 k = 0.0000 0.0000 0.6124 ( 686 PWs) bands (ev): -92.0967 -92.0967 3.9770 3.9770 9.2274 9.2274 20.7014 20.7014 23.8083 23.8083 28.7236 28.7236 Writing output data file Be.save init_run : 0.04s CPU 0.18s WALL ( 1 calls) electrons : 16.19s CPU 17.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 16.19s CPU 17.00s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 582 calls) cegterg : 14.52s CPU 15.07s WALL ( 591 calls) Called by sum_band: Called by *egterg: h_psi : 5.74s CPU 6.15s WALL ( 6938 calls) s_psi : 0.03s CPU 0.06s WALL ( 6938 calls) g_psi : 0.02s CPU 0.01s WALL ( 5765 calls) cdiaghg : 8.52s CPU 8.66s WALL ( 6347 calls) cegterg:over : 0.46s CPU 0.47s WALL ( 5765 calls) cegterg:upda : 0.33s CPU 0.33s WALL ( 5765 calls) cegterg:last : 0.12s CPU 0.15s WALL ( 1196 calls) cdiaghg:chol : 0.53s CPU 0.54s WALL ( 6347 calls) cdiaghg:inve : 0.11s CPU 0.14s WALL ( 6347 calls) cdiaghg:para : 0.76s CPU 0.70s WALL ( 12694 calls) Called by h_psi: h_psi:vloc : 5.46s CPU 5.85s WALL ( 6938 calls) h_psi:vnl : 0.25s CPU 0.28s WALL ( 6938 calls) add_vuspsi : 0.06s CPU 0.07s WALL ( 6938 calls) General routines calbec : 0.17s CPU 0.20s WALL ( 6938 calls) fft : 0.01s CPU 0.00s WALL ( 18 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 5.01s CPU 5.37s WALL ( 196332 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.15s WALL ( 1164 calls) Parallel routines fft_scatter : 3.28s CPU 3.35s WALL ( 196354 calls) PWSCF : 23.10s CPU 53.14s WALL This run was terminated on: 14:25: 6 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=