Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:19 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: ./Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 13 10 3 183 118 24 Max 14 11 4 187 128 26 Sum 475 367 129 6603 4417 887 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.0507 a.u. unit-cell volume = 99.1833 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.050723 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 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= 481 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0049020 -0.0034662 0.0060037), wk = 0.0020790 k( 3) = ( 0.0098039 -0.0069324 0.0120073), wk = 0.0020790 k( 4) = ( 0.0147059 -0.0103986 0.0180110), wk = 0.0020790 k( 5) = ( 0.0196078 -0.0138648 0.0240146), wk = 0.0020790 k( 6) = ( 0.0245098 -0.0173310 0.0300183), wk = 0.0020790 k( 7) = ( 0.0294118 -0.0207973 0.0360219), wk = 0.0020790 k( 8) = ( 0.0343137 -0.0242635 0.0420256), wk = 0.0020790 k( 9) = ( 0.0392157 -0.0277297 0.0480292), wk = 0.0020790 k( 10) = ( 0.0441177 -0.0311959 0.0540329), wk = 0.0020790 k( 11) = ( 0.0490196 -0.0346621 0.0600365), wk = 0.0020790 k( 12) = ( 0.0539216 -0.0381283 0.0660402), wk = 0.0020790 k( 13) = ( 0.0588235 -0.0415945 0.0720438), wk = 0.0020790 k( 14) = ( 0.0637255 -0.0450607 0.0780475), wk = 0.0020790 k( 15) = ( 0.0686275 -0.0485269 0.0840511), wk = 0.0020790 k( 16) = ( 0.0735294 -0.0519931 0.0900548), wk = 0.0020790 k( 17) = ( 0.0784314 -0.0554594 0.0960584), wk = 0.0020790 k( 18) = ( 0.0833333 -0.0589256 0.1020621), wk = 0.0020790 k( 19) = ( 0.0882353 -0.0623918 0.1080657), wk = 0.0020790 k( 20) = ( 0.0931373 -0.0658580 0.1140694), wk = 0.0020790 k( 21) = ( 0.0980392 -0.0693242 0.1200730), wk = 0.0020790 k( 22) = ( 0.1029412 -0.0727904 0.1260767), wk = 0.0020790 k( 23) = ( 0.1078431 -0.0762566 0.1320803), wk = 0.0020790 k( 24) = ( 0.1127451 -0.0797228 0.1380840), wk = 0.0020790 k( 25) = ( 0.1176471 -0.0831890 0.1440876), wk = 0.0020790 k( 26) = ( 0.1225490 -0.0866552 0.1500913), wk = 0.0020790 k( 27) = ( 0.1274510 -0.0901215 0.1560949), wk = 0.0020790 k( 28) = ( 0.1323529 -0.0935877 0.1620986), wk = 0.0020790 k( 29) = ( 0.1372549 -0.0970539 0.1681022), wk = 0.0020790 k( 30) = ( 0.1421569 -0.1005201 0.1741059), wk = 0.0020790 k( 31) = ( 0.1470588 -0.1039863 0.1801095), wk = 0.0020790 k( 32) = ( 0.1519608 -0.1074525 0.1861132), wk = 0.0020790 k( 33) = ( 0.1568627 -0.1109187 0.1921168), wk = 0.0020790 k( 34) = ( 0.1617647 -0.1143849 0.1981205), wk = 0.0020790 k( 35) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0020790 k( 36) = ( 0.1715686 -0.1213173 0.2101278), wk = 0.0020790 k( 37) = ( 0.1764706 -0.1247836 0.2161315), wk = 0.0020790 k( 38) = ( 0.1813725 -0.1282498 0.2221351), wk = 0.0020790 k( 39) = ( 0.1862745 -0.1317160 0.2281388), wk = 0.0020790 k( 40) = ( 0.1911765 -0.1351822 0.2341424), wk = 0.0020790 k( 41) = ( 0.1960784 -0.1386484 0.2401461), wk = 0.0020790 k( 42) = ( 0.2009804 -0.1421146 0.2461497), wk = 0.0020790 k( 43) = ( 0.2058823 -0.1455808 0.2521534), wk = 0.0020790 k( 44) = ( 0.2107843 -0.1490470 0.2581570), wk = 0.0020790 k( 45) = ( 0.2156863 -0.1525132 0.2641607), wk = 0.0020790 k( 46) = ( 0.2205882 -0.1559794 0.2701643), wk = 0.0020790 k( 47) = ( 0.2254902 -0.1594456 0.2761680), wk = 0.0020790 k( 48) = ( 0.2303922 -0.1629119 0.2821716), wk = 0.0020790 k( 49) = ( 0.2352941 -0.1663781 0.2881753), wk = 0.0020790 k( 50) = ( 0.2401961 -0.1698443 0.2941789), wk = 0.0020790 k( 51) = ( 0.2450980 -0.1733105 0.3001826), wk = 0.0020790 k( 52) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0020790 k( 53) = ( 0.2549020 -0.1802429 0.3121899), wk = 0.0020790 k( 54) = ( 0.2598039 -0.1837091 0.3181935), wk = 0.0020790 k( 55) = ( 0.2647059 -0.1871753 0.3241972), wk = 0.0020790 k( 56) = ( 0.2696078 -0.1906415 0.3302008), wk = 0.0020790 k( 57) = ( 0.2745098 -0.1941077 0.3362045), wk = 0.0020790 k( 58) = ( 0.2794118 -0.1975740 0.3422081), wk = 0.0020790 k( 59) = ( 0.2843137 -0.2010402 0.3482118), wk = 0.0020790 k( 60) = ( 0.2892157 -0.2045064 0.3542154), wk = 0.0020790 k( 61) = ( 0.2941177 -0.2079726 0.3602191), wk = 0.0020790 k( 62) = ( 0.2990196 -0.2114388 0.3662227), wk = 0.0020790 k( 63) = ( 0.3039216 -0.2149050 0.3722264), wk = 0.0020790 k( 64) = ( 0.3088235 -0.2183712 0.3782300), wk = 0.0020790 k( 65) = ( 0.3137255 -0.2218374 0.3842337), wk = 0.0020790 k( 66) = ( 0.3186274 -0.2253036 0.3902373), wk = 0.0020790 k( 67) = ( 0.3235294 -0.2287698 0.3962410), wk = 0.0020790 k( 68) = ( 0.3284314 -0.2322360 0.4022446), wk = 0.0020790 k( 69) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0020790 k( 70) = ( 0.3382353 -0.2391685 0.4142519), wk = 0.0020790 k( 71) = ( 0.3431373 -0.2426347 0.4202556), wk = 0.0020790 k( 72) = ( 0.3480392 -0.2461009 0.4262592), wk = 0.0020790 k( 73) = ( 0.3529412 -0.2495671 0.4322629), wk = 0.0020790 k( 74) = ( 0.3578431 -0.2530333 0.4382666), wk = 0.0020790 k( 75) = ( 0.3627451 -0.2564995 0.4442702), wk = 0.0020790 k( 76) = ( 0.3676471 -0.2599657 0.4502739), wk = 0.0020790 k( 77) = ( 0.3725490 -0.2634319 0.4562775), wk = 0.0020790 k( 78) = ( 0.3774510 -0.2668981 0.4622812), wk = 0.0020790 k( 79) = ( 0.3823529 -0.2703644 0.4682848), wk = 0.0020790 k( 80) = ( 0.3872549 -0.2738306 0.4742885), wk = 0.0020790 k( 81) = ( 0.3921569 -0.2772968 0.4802921), wk = 0.0020790 k( 82) = ( 0.3970588 -0.2807630 0.4862958), wk = 0.0020790 k( 83) = ( 0.4019608 -0.2842292 0.4922994), wk = 0.0020790 k( 84) = ( 0.4068627 -0.2876954 0.4983031), wk = 0.0020790 k( 85) = ( 0.4117647 -0.2911616 0.5043067), wk = 0.0020790 k( 86) = ( 0.4166667 -0.2946278 0.5103104), wk = 0.0020790 k( 87) = ( 0.4215686 -0.2980940 0.5163140), wk = 0.0020790 k( 88) = ( 0.4264706 -0.3015602 0.5223177), wk = 0.0020790 k( 89) = ( 0.4313726 -0.3050265 0.5283213), wk = 0.0020790 k( 90) = ( 0.4362745 -0.3084927 0.5343250), wk = 0.0020790 k( 91) = ( 0.4411765 -0.3119589 0.5403286), wk = 0.0020790 k( 92) = ( 0.4460784 -0.3154251 0.5463323), wk = 0.0020790 k( 93) = ( 0.4509804 -0.3188913 0.5523359), wk = 0.0020790 k( 94) = ( 0.4558823 -0.3223575 0.5583396), wk = 0.0020790 k( 95) = ( 0.4607843 -0.3258237 0.5643432), wk = 0.0020790 k( 96) = ( 0.4656863 -0.3292899 0.5703469), wk = 0.0020790 k( 97) = ( 0.4705882 -0.3327561 0.5763505), wk = 0.0020790 k( 98) = ( 0.4754902 -0.3362223 0.5823542), wk = 0.0020790 k( 99) = ( 0.4803922 -0.3396886 0.5883578), wk = 0.0020790 k( 100) = ( 0.4852941 -0.3431548 0.5943615), wk = 0.0020790 k( 101) = ( 0.4901961 -0.3466210 0.6003651), wk = 0.0020790 k( 102) = ( 0.4950980 -0.3500872 0.6063688), wk = 0.0020790 k( 103) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020790 k( 104) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020790 k( 105) = ( 0.4930556 -0.3486429 0.6123724), wk = 0.0020790 k( 106) = ( 0.4861111 -0.3437325 0.6123724), wk = 0.0020790 k( 107) = ( 0.4791667 -0.3388220 0.6123724), wk = 0.0020790 k( 108) = ( 0.4722222 -0.3339115 0.6123724), wk = 0.0020790 k( 109) = ( 0.4652778 -0.3290011 0.6123724), wk = 0.0020790 k( 110) = ( 0.4583333 -0.3240906 0.6123724), wk = 0.0020790 k( 111) = ( 0.4513889 -0.3191801 0.6123724), wk = 0.0020790 k( 112) = ( 0.4444444 -0.3142697 0.6123724), wk = 0.0020790 k( 113) = ( 0.4375000 -0.3093592 0.6123724), wk = 0.0020790 k( 114) = ( 0.4305556 -0.3044488 0.6123724), wk = 0.0020790 k( 115) = ( 0.4236111 -0.2995383 0.6123724), wk = 0.0020790 k( 116) = ( 0.4166667 -0.2946278 0.6123724), wk = 0.0020790 k( 117) = ( 0.4097222 -0.2897174 0.6123724), wk = 0.0020790 k( 118) = ( 0.4027778 -0.2848069 0.6123724), wk = 0.0020790 k( 119) = ( 0.3958333 -0.2798964 0.6123724), wk = 0.0020790 k( 120) = ( 0.3888889 -0.2749860 0.6123724), wk = 0.0020790 k( 121) = ( 0.3819444 -0.2700755 0.6123724), wk = 0.0020790 k( 122) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0020790 k( 123) = ( 0.3680556 -0.2602546 0.6123724), wk = 0.0020790 k( 124) = ( 0.3611111 -0.2553441 0.6123724), wk = 0.0020790 k( 125) = ( 0.3541667 -0.2504337 0.6123724), wk = 0.0020790 k( 126) = ( 0.3472222 -0.2455232 0.6123724), wk = 0.0020790 k( 127) = ( 0.3402778 -0.2406127 0.6123724), wk = 0.0020790 k( 128) = ( 0.3333333 -0.2357023 0.6123724), wk = 0.0020790 k( 129) = ( 0.3263889 -0.2307918 0.6123724), wk = 0.0020790 k( 130) = ( 0.3194444 -0.2258813 0.6123724), wk = 0.0020790 k( 131) = ( 0.3125000 -0.2209709 0.6123724), wk = 0.0020790 k( 132) = ( 0.3055556 -0.2160604 0.6123724), wk = 0.0020790 k( 133) = ( 0.2986111 -0.2111499 0.6123724), wk = 0.0020790 k( 134) = ( 0.2916667 -0.2062395 0.6123724), wk = 0.0020790 k( 135) = ( 0.2847222 -0.2013290 0.6123724), wk = 0.0020790 k( 136) = ( 0.2777778 -0.1964186 0.6123724), wk = 0.0020790 k( 137) = ( 0.2708333 -0.1915081 0.6123724), wk = 0.0020790 k( 138) = ( 0.2638889 -0.1865976 0.6123724), wk = 0.0020790 k( 139) = ( 0.2569444 -0.1816872 0.6123724), wk = 0.0020790 k( 140) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0020790 k( 141) = ( 0.2430556 -0.1718662 0.6123724), wk = 0.0020790 k( 142) = ( 0.2361111 -0.1669558 0.6123724), wk = 0.0020790 k( 143) = ( 0.2291667 -0.1620453 0.6123724), wk = 0.0020790 k( 144) = ( 0.2222222 -0.1571348 0.6123724), wk = 0.0020790 k( 145) = ( 0.2152778 -0.1522244 0.6123724), wk = 0.0020790 k( 146) = ( 0.2083333 -0.1473139 0.6123724), wk = 0.0020790 k( 147) = ( 0.2013889 -0.1424034 0.6123724), wk = 0.0020790 k( 148) = ( 0.1944444 -0.1374930 0.6123724), wk = 0.0020790 k( 149) = ( 0.1875000 -0.1325825 0.6123724), wk = 0.0020790 k( 150) = ( 0.1805556 -0.1276721 0.6123724), wk = 0.0020790 k( 151) = ( 0.1736111 -0.1227616 0.6123724), wk = 0.0020790 k( 152) = ( 0.1666667 -0.1178511 0.6123724), wk = 0.0020790 k( 153) = ( 0.1597222 -0.1129407 0.6123724), wk = 0.0020790 k( 154) = ( 0.1527778 -0.1080302 0.6123724), wk = 0.0020790 k( 155) = ( 0.1458333 -0.1031197 0.6123724), wk = 0.0020790 k( 156) = ( 0.1388889 -0.0982093 0.6123724), wk = 0.0020790 k( 157) = ( 0.1319444 -0.0932988 0.6123724), wk = 0.0020790 k( 158) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0020790 k( 159) = ( 0.1180556 -0.0834779 0.6123724), wk = 0.0020790 k( 160) = ( 0.1111111 -0.0785674 0.6123724), wk = 0.0020790 k( 161) = ( 0.1041667 -0.0736570 0.6123724), wk = 0.0020790 k( 162) = ( 0.0972222 -0.0687465 0.6123724), wk = 0.0020790 k( 163) = ( 0.0902778 -0.0638360 0.6123724), wk = 0.0020790 k( 164) = ( 0.0833333 -0.0589256 0.6123724), wk = 0.0020790 k( 165) = ( 0.0763889 -0.0540151 0.6123724), wk = 0.0020790 k( 166) = ( 0.0694444 -0.0491046 0.6123724), wk = 0.0020790 k( 167) = ( 0.0625000 -0.0441942 0.6123724), wk = 0.0020790 k( 168) = ( 0.0555556 -0.0392837 0.6123724), wk = 0.0020790 k( 169) = ( 0.0486111 -0.0343732 0.6123724), wk = 0.0020790 k( 170) = ( 0.0416667 -0.0294628 0.6123724), wk = 0.0020790 k( 171) = ( 0.0347222 -0.0245523 0.6123724), wk = 0.0020790 k( 172) = ( 0.0277778 -0.0196419 0.6123724), wk = 0.0020790 k( 173) = ( 0.0208333 -0.0147314 0.6123724), wk = 0.0020790 k( 174) = ( 0.0138889 -0.0098209 0.6123724), wk = 0.0020790 k( 175) = ( 0.0069444 -0.0049105 0.6123724), wk = 0.0020790 k( 176) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020790 k( 177) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020790 k( 178) = ( 0.0000000 0.0000000 0.6038673), wk = 0.0020790 k( 179) = ( 0.0000000 0.0000000 0.5953621), wk = 0.0020790 k( 180) = ( 0.0000000 0.0000000 0.5868569), wk = 0.0020790 k( 181) = ( 0.0000000 0.0000000 0.5783517), wk = 0.0020790 k( 182) = ( 0.0000000 0.0000000 0.5698466), wk = 0.0020790 k( 183) = ( 0.0000000 0.0000000 0.5613414), wk = 0.0020790 k( 184) = ( 0.0000000 0.0000000 0.5528362), wk = 0.0020790 k( 185) = ( 0.0000000 0.0000000 0.5443310), wk = 0.0020790 k( 186) = ( 0.0000000 0.0000000 0.5358259), wk = 0.0020790 k( 187) = ( 0.0000000 0.0000000 0.5273207), wk = 0.0020790 k( 188) = ( 0.0000000 0.0000000 0.5188155), wk = 0.0020790 k( 189) = ( 0.0000000 0.0000000 0.5103104), wk = 0.0020790 k( 190) = ( 0.0000000 0.0000000 0.5018052), wk = 0.0020790 k( 191) = ( 0.0000000 0.0000000 0.4933000), wk = 0.0020790 k( 192) = ( 0.0000000 0.0000000 0.4847948), wk = 0.0020790 k( 193) = ( 0.0000000 0.0000000 0.4762897), wk = 0.0020790 k( 194) = ( 0.0000000 0.0000000 0.4677845), wk = 0.0020790 k( 195) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0020790 k( 196) = ( 0.0000000 0.0000000 0.4507742), wk = 0.0020790 k( 197) = ( 0.0000000 0.0000000 0.4422690), wk = 0.0020790 k( 198) = ( 0.0000000 0.0000000 0.4337638), wk = 0.0020790 k( 199) = ( 0.0000000 0.0000000 0.4252586), wk = 0.0020790 k( 200) = ( 0.0000000 0.0000000 0.4167535), wk = 0.0020790 k( 201) = ( 0.0000000 0.0000000 0.4082483), wk = 0.0020790 k( 202) = ( 0.0000000 0.0000000 0.3997431), wk = 0.0020790 k( 203) = ( 0.0000000 0.0000000 0.3912379), wk = 0.0020790 k( 204) = ( 0.0000000 0.0000000 0.3827328), wk = 0.0020790 k( 205) = ( 0.0000000 0.0000000 0.3742276), wk = 0.0020790 k( 206) = ( 0.0000000 0.0000000 0.3657224), wk = 0.0020790 k( 207) = ( 0.0000000 0.0000000 0.3572173), wk = 0.0020790 k( 208) = ( 0.0000000 0.0000000 0.3487121), wk = 0.0020790 k( 209) = ( 0.0000000 0.0000000 0.3402069), wk = 0.0020790 k( 210) = ( 0.0000000 0.0000000 0.3317017), wk = 0.0020790 k( 211) = ( 0.0000000 0.0000000 0.3231966), wk = 0.0020790 k( 212) = ( 0.0000000 0.0000000 0.3146914), wk = 0.0020790 k( 213) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0020790 k( 214) = ( 0.0000000 0.0000000 0.2976811), wk = 0.0020790 k( 215) = ( 0.0000000 0.0000000 0.2891759), wk = 0.0020790 k( 216) = ( 0.0000000 0.0000000 0.2806707), wk = 0.0020790 k( 217) = ( 0.0000000 0.0000000 0.2721655), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.2636604), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.2551552), wk = 0.0020790 k( 220) = ( 0.0000000 0.0000000 0.2466500), wk = 0.0020790 k( 221) = ( 0.0000000 0.0000000 0.2381448), wk = 0.0020790 k( 222) = ( 0.0000000 0.0000000 0.2296397), wk = 0.0020790 k( 223) = ( 0.0000000 0.0000000 0.2211345), wk = 0.0020790 k( 224) = ( 0.0000000 0.0000000 0.2126293), wk = 0.0020790 k( 225) = ( 0.0000000 0.0000000 0.2041241), wk = 0.0020790 k( 226) = ( 0.0000000 0.0000000 0.1956190), wk = 0.0020790 k( 227) = ( 0.0000000 0.0000000 0.1871138), wk = 0.0020790 k( 228) = ( 0.0000000 0.0000000 0.1786086), wk = 0.0020790 k( 229) = ( 0.0000000 0.0000000 0.1701035), wk = 0.0020790 k( 230) = ( 0.0000000 0.0000000 0.1615983), wk = 0.0020790 k( 231) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0020790 k( 232) = ( 0.0000000 0.0000000 0.1445879), wk = 0.0020790 k( 233) = ( 0.0000000 0.0000000 0.1360828), wk = 0.0020790 k( 234) = ( 0.0000000 0.0000000 0.1275776), wk = 0.0020790 k( 235) = ( 0.0000000 0.0000000 0.1190724), wk = 0.0020790 k( 236) = ( 0.0000000 0.0000000 0.1105672), wk = 0.0020790 k( 237) = ( 0.0000000 0.0000000 0.1020621), wk = 0.0020790 k( 238) = ( 0.0000000 0.0000000 0.0935569), wk = 0.0020790 k( 239) = ( 0.0000000 0.0000000 0.0850517), wk = 0.0020790 k( 240) = ( 0.0000000 0.0000000 0.0765466), wk = 0.0020790 k( 241) = ( 0.0000000 0.0000000 0.0680414), wk = 0.0020790 k( 242) = ( 0.0000000 0.0000000 0.0595362), wk = 0.0020790 k( 243) = ( 0.0000000 0.0000000 0.0510310), wk = 0.0020790 k( 244) = ( 0.0000000 0.0000000 0.0425259), wk = 0.0020790 k( 245) = ( 0.0000000 0.0000000 0.0340207), wk = 0.0020790 k( 246) = ( 0.0000000 0.0000000 0.0255155), wk = 0.0020790 k( 247) = ( 0.0000000 0.0000000 0.0170103), wk = 0.0020790 k( 248) = ( 0.0000000 0.0000000 0.0085052), wk = 0.0020790 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 251) = ( 0.0028090 0.0039725 0.0068806), wk = 0.0020790 k( 252) = ( 0.0056180 0.0079450 0.0137612), wk = 0.0020790 k( 253) = ( 0.0084270 0.0119175 0.0206418), wk = 0.0020790 k( 254) = ( 0.0112360 0.0158900 0.0275224), wk = 0.0020790 k( 255) = ( 0.0140449 0.0198625 0.0344029), wk = 0.0020790 k( 256) = ( 0.0168539 0.0238351 0.0412835), wk = 0.0020790 k( 257) = ( 0.0196629 0.0278076 0.0481641), wk = 0.0020790 k( 258) = ( 0.0224719 0.0317801 0.0550447), wk = 0.0020790 k( 259) = ( 0.0252809 0.0357526 0.0619253), wk = 0.0020790 k( 260) = ( 0.0280899 0.0397251 0.0688059), wk = 0.0020790 k( 261) = ( 0.0308989 0.0436976 0.0756865), wk = 0.0020790 k( 262) = ( 0.0337079 0.0476701 0.0825671), wk = 0.0020790 k( 263) = ( 0.0365168 0.0516426 0.0894476), wk = 0.0020790 k( 264) = ( 0.0393258 0.0556151 0.0963282), wk = 0.0020790 k( 265) = ( 0.0421348 0.0595876 0.1032088), wk = 0.0020790 k( 266) = ( 0.0449438 0.0635602 0.1100894), wk = 0.0020790 k( 267) = ( 0.0477528 0.0675327 0.1169700), wk = 0.0020790 k( 268) = ( 0.0505618 0.0715052 0.1238506), wk = 0.0020790 k( 269) = ( 0.0533708 0.0754777 0.1307312), wk = 0.0020790 k( 270) = ( 0.0561798 0.0794502 0.1376118), wk = 0.0020790 k( 271) = ( 0.0589888 0.0834227 0.1444924), wk = 0.0020790 k( 272) = ( 0.0617977 0.0873952 0.1513730), wk = 0.0020790 k( 273) = ( 0.0646067 0.0913677 0.1582535), wk = 0.0020790 k( 274) = ( 0.0674157 0.0953402 0.1651341), wk = 0.0020790 k( 275) = ( 0.0702247 0.0993128 0.1720147), wk = 0.0020790 k( 276) = ( 0.0730337 0.1032853 0.1788953), wk = 0.0020790 k( 277) = ( 0.0758427 0.1072578 0.1857759), wk = 0.0020790 k( 278) = ( 0.0786517 0.1112303 0.1926565), wk = 0.0020790 k( 279) = ( 0.0814607 0.1152028 0.1995371), wk = 0.0020790 k( 280) = ( 0.0842697 0.1191753 0.2064177), wk = 0.0020790 k( 281) = ( 0.0870786 0.1231478 0.2132983), wk = 0.0020790 k( 282) = ( 0.0898876 0.1271203 0.2201789), wk = 0.0020790 k( 283) = ( 0.0926966 0.1310928 0.2270594), wk = 0.0020790 k( 284) = ( 0.0955056 0.1350653 0.2339400), wk = 0.0020790 k( 285) = ( 0.0983146 0.1390379 0.2408206), wk = 0.0020790 k( 286) = ( 0.1011236 0.1430104 0.2477012), wk = 0.0020790 k( 287) = ( 0.1039326 0.1469829 0.2545818), wk = 0.0020790 k( 288) = ( 0.1067416 0.1509554 0.2614624), wk = 0.0020790 k( 289) = ( 0.1095506 0.1549279 0.2683430), wk = 0.0020790 k( 290) = ( 0.1123596 0.1589004 0.2752236), wk = 0.0020790 k( 291) = ( 0.1151685 0.1628729 0.2821042), wk = 0.0020790 k( 292) = ( 0.1179775 0.1668454 0.2889847), wk = 0.0020790 k( 293) = ( 0.1207865 0.1708179 0.2958653), wk = 0.0020790 k( 294) = ( 0.1235955 0.1747904 0.3027459), wk = 0.0020790 k( 295) = ( 0.1264045 0.1787629 0.3096265), wk = 0.0020790 k( 296) = ( 0.1292135 0.1827355 0.3165071), wk = 0.0020790 k( 297) = ( 0.1320225 0.1867080 0.3233877), wk = 0.0020790 k( 298) = ( 0.1348315 0.1906805 0.3302683), wk = 0.0020790 k( 299) = ( 0.1376404 0.1946530 0.3371489), wk = 0.0020790 k( 300) = ( 0.1404494 0.1986255 0.3440295), wk = 0.0020790 k( 301) = ( 0.1432584 0.2025980 0.3509101), wk = 0.0020790 k( 302) = ( 0.1460674 0.2065705 0.3577906), wk = 0.0020790 k( 303) = ( 0.1488764 0.2105430 0.3646712), wk = 0.0020790 k( 304) = ( 0.1516854 0.2145155 0.3715518), wk = 0.0020790 k( 305) = ( 0.1544944 0.2184880 0.3784324), wk = 0.0020790 k( 306) = ( 0.1573034 0.2224606 0.3853130), wk = 0.0020790 k( 307) = ( 0.1601124 0.2264331 0.3921936), wk = 0.0020790 k( 308) = ( 0.1629213 0.2304056 0.3990742), wk = 0.0020790 k( 309) = ( 0.1657303 0.2343781 0.4059548), wk = 0.0020790 k( 310) = ( 0.1685393 0.2383506 0.4128354), wk = 0.0020790 k( 311) = ( 0.1713483 0.2423231 0.4197159), wk = 0.0020790 k( 312) = ( 0.1741573 0.2462956 0.4265965), wk = 0.0020790 k( 313) = ( 0.1769663 0.2502681 0.4334771), wk = 0.0020790 k( 314) = ( 0.1797753 0.2542406 0.4403577), wk = 0.0020790 k( 315) = ( 0.1825843 0.2582132 0.4472383), wk = 0.0020790 k( 316) = ( 0.1853933 0.2621857 0.4541189), wk = 0.0020790 k( 317) = ( 0.1882022 0.2661582 0.4609995), wk = 0.0020790 k( 318) = ( 0.1910112 0.2701307 0.4678801), wk = 0.0020790 k( 319) = ( 0.1938202 0.2741032 0.4747606), wk = 0.0020790 k( 320) = ( 0.1966292 0.2780757 0.4816412), wk = 0.0020790 k( 321) = ( 0.1994382 0.2820482 0.4885218), wk = 0.0020790 k( 322) = ( 0.2022472 0.2860207 0.4954024), wk = 0.0020790 k( 323) = ( 0.2050562 0.2899932 0.5022830), wk = 0.0020790 k( 324) = ( 0.2078652 0.2939657 0.5091636), wk = 0.0020790 k( 325) = ( 0.2106742 0.2979383 0.5160442), wk = 0.0020790 k( 326) = ( 0.2134832 0.3019108 0.5229248), wk = 0.0020790 k( 327) = ( 0.2162921 0.3058833 0.5298054), wk = 0.0020790 k( 328) = ( 0.2191011 0.3098558 0.5366859), wk = 0.0020790 k( 329) = ( 0.2219101 0.3138283 0.5435665), wk = 0.0020790 k( 330) = ( 0.2247191 0.3178008 0.5504471), wk = 0.0020790 k( 331) = ( 0.2275281 0.3217733 0.5573277), wk = 0.0020790 k( 332) = ( 0.2303371 0.3257458 0.5642083), wk = 0.0020790 k( 333) = ( 0.2331461 0.3297183 0.5710889), wk = 0.0020790 k( 334) = ( 0.2359551 0.3336908 0.5779695), wk = 0.0020790 k( 335) = ( 0.2387640 0.3376633 0.5848501), wk = 0.0020790 k( 336) = ( 0.2415730 0.3416359 0.5917307), wk = 0.0020790 k( 337) = ( 0.2443820 0.3456084 0.5986113), wk = 0.0020790 k( 338) = ( 0.2471910 0.3495809 0.6054918), wk = 0.0020790 k( 339) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020790 k( 340) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020790 k( 341) = ( 0.2528090 0.3456084 0.6123724), wk = 0.0020790 k( 342) = ( 0.2556180 0.3376634 0.6123724), wk = 0.0020790 k( 343) = ( 0.2584270 0.3297183 0.6123724), wk = 0.0020790 k( 344) = ( 0.2612360 0.3217733 0.6123724), wk = 0.0020790 k( 345) = ( 0.2640449 0.3138283 0.6123724), wk = 0.0020790 k( 346) = ( 0.2668539 0.3058833 0.6123724), wk = 0.0020790 k( 347) = ( 0.2696629 0.2979383 0.6123724), wk = 0.0020790 k( 348) = ( 0.2724719 0.2899932 0.6123724), wk = 0.0020790 k( 349) = ( 0.2752809 0.2820482 0.6123724), wk = 0.0020790 k( 350) = ( 0.2780899 0.2741032 0.6123724), wk = 0.0020790 k( 351) = ( 0.2808989 0.2661582 0.6123724), wk = 0.0020790 k( 352) = ( 0.2837079 0.2582131 0.6123724), wk = 0.0020790 k( 353) = ( 0.2865168 0.2502681 0.6123724), wk = 0.0020790 k( 354) = ( 0.2893258 0.2423231 0.6123724), wk = 0.0020790 k( 355) = ( 0.2921348 0.2343781 0.6123724), wk = 0.0020790 k( 356) = ( 0.2949438 0.2264331 0.6123724), wk = 0.0020790 k( 357) = ( 0.2977528 0.2184880 0.6123724), wk = 0.0020790 k( 358) = ( 0.3005618 0.2105430 0.6123724), wk = 0.0020790 k( 359) = ( 0.3033708 0.2025980 0.6123724), wk = 0.0020790 k( 360) = ( 0.3061798 0.1946530 0.6123724), wk = 0.0020790 k( 361) = ( 0.3089888 0.1867080 0.6123724), wk = 0.0020790 k( 362) = ( 0.3117977 0.1787629 0.6123724), wk = 0.0020790 k( 363) = ( 0.3146067 0.1708179 0.6123724), wk = 0.0020790 k( 364) = ( 0.3174157 0.1628729 0.6123724), wk = 0.0020790 k( 365) = ( 0.3202247 0.1549279 0.6123724), wk = 0.0020790 k( 366) = ( 0.3230337 0.1469829 0.6123724), wk = 0.0020790 k( 367) = ( 0.3258427 0.1390379 0.6123724), wk = 0.0020790 k( 368) = ( 0.3286517 0.1310928 0.6123724), wk = 0.0020790 k( 369) = ( 0.3314607 0.1231478 0.6123724), wk = 0.0020790 k( 370) = ( 0.3342697 0.1152028 0.6123724), wk = 0.0020790 k( 371) = ( 0.3370786 0.1072578 0.6123724), wk = 0.0020790 k( 372) = ( 0.3398876 0.0993128 0.6123724), wk = 0.0020790 k( 373) = ( 0.3426966 0.0913677 0.6123724), wk = 0.0020790 k( 374) = ( 0.3455056 0.0834227 0.6123724), wk = 0.0020790 k( 375) = ( 0.3483146 0.0754777 0.6123724), wk = 0.0020790 k( 376) = ( 0.3511236 0.0675327 0.6123724), wk = 0.0020790 k( 377) = ( 0.3539326 0.0595877 0.6123724), wk = 0.0020790 k( 378) = ( 0.3567416 0.0516426 0.6123724), wk = 0.0020790 k( 379) = ( 0.3595506 0.0436976 0.6123724), wk = 0.0020790 k( 380) = ( 0.3623595 0.0357526 0.6123724), wk = 0.0020790 k( 381) = ( 0.3651685 0.0278076 0.6123724), wk = 0.0020790 k( 382) = ( 0.3679775 0.0198626 0.6123724), wk = 0.0020790 k( 383) = ( 0.3707865 0.0119175 0.6123724), wk = 0.0020790 k( 384) = ( 0.3735955 0.0039725 0.6123724), wk = 0.0020790 k( 385) = ( 0.3764045 -0.0039725 0.6123724), wk = 0.0020790 k( 386) = ( 0.3792135 -0.0119175 0.6123724), wk = 0.0020790 k( 387) = ( 0.3820225 -0.0198626 0.6123724), wk = 0.0020790 k( 388) = ( 0.3848315 -0.0278076 0.6123724), wk = 0.0020790 k( 389) = ( 0.3876405 -0.0357526 0.6123724), wk = 0.0020790 k( 390) = ( 0.3904494 -0.0436976 0.6123724), wk = 0.0020790 k( 391) = ( 0.3932584 -0.0516426 0.6123724), wk = 0.0020790 k( 392) = ( 0.3960674 -0.0595877 0.6123724), wk = 0.0020790 k( 393) = ( 0.3988764 -0.0675327 0.6123724), wk = 0.0020790 k( 394) = ( 0.4016854 -0.0754777 0.6123724), wk = 0.0020790 k( 395) = ( 0.4044944 -0.0834227 0.6123724), wk = 0.0020790 k( 396) = ( 0.4073034 -0.0913677 0.6123724), wk = 0.0020790 k( 397) = ( 0.4101124 -0.0993128 0.6123724), wk = 0.0020790 k( 398) = ( 0.4129214 -0.1072578 0.6123724), wk = 0.0020790 k( 399) = ( 0.4157303 -0.1152028 0.6123724), wk = 0.0020790 k( 400) = ( 0.4185393 -0.1231478 0.6123724), wk = 0.0020790 k( 401) = ( 0.4213483 -0.1310928 0.6123724), wk = 0.0020790 k( 402) = ( 0.4241573 -0.1390379 0.6123724), wk = 0.0020790 k( 403) = ( 0.4269663 -0.1469829 0.6123724), wk = 0.0020790 k( 404) = ( 0.4297753 -0.1549279 0.6123724), wk = 0.0020790 k( 405) = ( 0.4325843 -0.1628729 0.6123724), wk = 0.0020790 k( 406) = ( 0.4353933 -0.1708179 0.6123724), wk = 0.0020790 k( 407) = ( 0.4382023 -0.1787629 0.6123724), wk = 0.0020790 k( 408) = ( 0.4410112 -0.1867080 0.6123724), wk = 0.0020790 k( 409) = ( 0.4438202 -0.1946530 0.6123724), wk = 0.0020790 k( 410) = ( 0.4466292 -0.2025980 0.6123724), wk = 0.0020790 k( 411) = ( 0.4494382 -0.2105430 0.6123724), wk = 0.0020790 k( 412) = ( 0.4522472 -0.2184880 0.6123724), wk = 0.0020790 k( 413) = ( 0.4550562 -0.2264331 0.6123724), wk = 0.0020790 k( 414) = ( 0.4578652 -0.2343781 0.6123724), wk = 0.0020790 k( 415) = ( 0.4606742 -0.2423231 0.6123724), wk = 0.0020790 k( 416) = ( 0.4634832 -0.2502681 0.6123724), wk = 0.0020790 k( 417) = ( 0.4662921 -0.2582131 0.6123724), wk = 0.0020790 k( 418) = ( 0.4691011 -0.2661582 0.6123724), wk = 0.0020790 k( 419) = ( 0.4719101 -0.2741032 0.6123724), wk = 0.0020790 k( 420) = ( 0.4747191 -0.2820482 0.6123724), wk = 0.0020790 k( 421) = ( 0.4775281 -0.2899932 0.6123724), wk = 0.0020790 k( 422) = ( 0.4803371 -0.2979383 0.6123724), wk = 0.0020790 k( 423) = ( 0.4831461 -0.3058833 0.6123724), wk = 0.0020790 k( 424) = ( 0.4859551 -0.3138283 0.6123724), wk = 0.0020790 k( 425) = ( 0.4887640 -0.3217733 0.6123724), wk = 0.0020790 k( 426) = ( 0.4915730 -0.3297183 0.6123724), wk = 0.0020790 k( 427) = ( 0.4943820 -0.3376634 0.6123724), wk = 0.0020790 k( 428) = ( 0.4971910 -0.3456084 0.6123724), wk = 0.0020790 k( 429) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0020790 k( 430) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0020790 k( 431) = ( 0.2450980 0.3466210 0.6123724), wk = 0.0020790 k( 432) = ( 0.2401961 0.3396886 0.6123724), wk = 0.0020790 k( 433) = ( 0.2352941 0.3327561 0.6123724), wk = 0.0020790 k( 434) = ( 0.2303922 0.3258237 0.6123724), wk = 0.0020790 k( 435) = ( 0.2254902 0.3188913 0.6123724), wk = 0.0020790 k( 436) = ( 0.2205882 0.3119589 0.6123724), wk = 0.0020790 k( 437) = ( 0.2156863 0.3050264 0.6123724), wk = 0.0020790 k( 438) = ( 0.2107843 0.2980940 0.6123724), wk = 0.0020790 k( 439) = ( 0.2058823 0.2911616 0.6123724), wk = 0.0020790 k( 440) = ( 0.2009804 0.2842292 0.6123724), wk = 0.0020790 k( 441) = ( 0.1960784 0.2772968 0.6123724), wk = 0.0020790 k( 442) = ( 0.1911765 0.2703644 0.6123724), wk = 0.0020790 k( 443) = ( 0.1862745 0.2634319 0.6123724), wk = 0.0020790 k( 444) = ( 0.1813725 0.2564995 0.6123724), wk = 0.0020790 k( 445) = ( 0.1764706 0.2495671 0.6123724), wk = 0.0020790 k( 446) = ( 0.1715686 0.2426347 0.6123724), wk = 0.0020790 k( 447) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0020790 k( 448) = ( 0.1617647 0.2287698 0.6123724), wk = 0.0020790 k( 449) = ( 0.1568627 0.2218374 0.6123724), wk = 0.0020790 k( 450) = ( 0.1519608 0.2149050 0.6123724), wk = 0.0020790 k( 451) = ( 0.1470588 0.2079726 0.6123724), wk = 0.0020790 k( 452) = ( 0.1421569 0.2010402 0.6123724), wk = 0.0020790 k( 453) = ( 0.1372549 0.1941077 0.6123724), wk = 0.0020790 k( 454) = ( 0.1323529 0.1871753 0.6123724), wk = 0.0020790 k( 455) = ( 0.1274510 0.1802429 0.6123724), wk = 0.0020790 k( 456) = ( 0.1225490 0.1733105 0.6123724), wk = 0.0020790 k( 457) = ( 0.1176471 0.1663781 0.6123724), wk = 0.0020790 k( 458) = ( 0.1127451 0.1594456 0.6123724), wk = 0.0020790 k( 459) = ( 0.1078431 0.1525132 0.6123724), wk = 0.0020790 k( 460) = ( 0.1029412 0.1455808 0.6123724), wk = 0.0020790 k( 461) = ( 0.0980392 0.1386484 0.6123724), wk = 0.0020790 k( 462) = ( 0.0931373 0.1317160 0.6123724), wk = 0.0020790 k( 463) = ( 0.0882353 0.1247835 0.6123724), wk = 0.0020790 k( 464) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0020790 k( 465) = ( 0.0784314 0.1109187 0.6123724), wk = 0.0020790 k( 466) = ( 0.0735294 0.1039863 0.6123724), wk = 0.0020790 k( 467) = ( 0.0686275 0.0970539 0.6123724), wk = 0.0020790 k( 468) = ( 0.0637255 0.0901215 0.6123724), wk = 0.0020790 k( 469) = ( 0.0588235 0.0831890 0.6123724), wk = 0.0020790 k( 470) = ( 0.0539216 0.0762566 0.6123724), wk = 0.0020790 k( 471) = ( 0.0490196 0.0693242 0.6123724), wk = 0.0020790 k( 472) = ( 0.0441177 0.0623918 0.6123724), wk = 0.0020790 k( 473) = ( 0.0392157 0.0554594 0.6123724), wk = 0.0020790 k( 474) = ( 0.0343137 0.0485269 0.6123724), wk = 0.0020790 k( 475) = ( 0.0294118 0.0415945 0.6123724), wk = 0.0020790 k( 476) = ( 0.0245098 0.0346621 0.6123724), wk = 0.0020790 k( 477) = ( 0.0196078 0.0277297 0.6123724), wk = 0.0020790 k( 478) = ( 0.0147059 0.0207973 0.6123724), wk = 0.0020790 k( 479) = ( 0.0098039 0.0138648 0.6123724), wk = 0.0020790 k( 480) = ( 0.0049020 0.0069324 0.6123724), wk = 0.0020790 k( 481) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0020790 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0049020 -0.0049020 0.0049020), wk = 0.0020790 k( 3) = ( 0.0098039 -0.0098039 0.0098039), wk = 0.0020790 k( 4) = ( 0.0147059 -0.0147059 0.0147059), wk = 0.0020790 k( 5) = ( 0.0196078 -0.0196078 0.0196078), wk = 0.0020790 k( 6) = ( 0.0245098 -0.0245098 0.0245098), wk = 0.0020790 k( 7) = ( 0.0294118 -0.0294118 0.0294118), wk = 0.0020790 k( 8) = ( 0.0343137 -0.0343137 0.0343137), wk = 0.0020790 k( 9) = ( 0.0392157 -0.0392157 0.0392157), wk = 0.0020790 k( 10) = ( 0.0441177 -0.0441176 0.0441176), wk = 0.0020790 k( 11) = ( 0.0490196 -0.0490196 0.0490196), wk = 0.0020790 k( 12) = ( 0.0539216 -0.0539216 0.0539216), wk = 0.0020790 k( 13) = ( 0.0588235 -0.0588235 0.0588235), wk = 0.0020790 k( 14) = ( 0.0637255 -0.0637255 0.0637255), wk = 0.0020790 k( 15) = ( 0.0686275 -0.0686275 0.0686275), wk = 0.0020790 k( 16) = ( 0.0735294 -0.0735294 0.0735294), wk = 0.0020790 k( 17) = ( 0.0784314 -0.0784314 0.0784314), wk = 0.0020790 k( 18) = ( 0.0833333 -0.0833333 0.0833333), wk = 0.0020790 k( 19) = ( 0.0882353 -0.0882353 0.0882353), wk = 0.0020790 k( 20) = ( 0.0931373 -0.0931373 0.0931373), wk = 0.0020790 k( 21) = ( 0.0980392 -0.0980392 0.0980392), wk = 0.0020790 k( 22) = ( 0.1029412 -0.1029412 0.1029412), wk = 0.0020790 k( 23) = ( 0.1078431 -0.1078431 0.1078431), wk = 0.0020790 k( 24) = ( 0.1127451 -0.1127451 0.1127451), wk = 0.0020790 k( 25) = ( 0.1176471 -0.1176471 0.1176471), wk = 0.0020790 k( 26) = ( 0.1225490 -0.1225490 0.1225490), wk = 0.0020790 k( 27) = ( 0.1274510 -0.1274510 0.1274510), wk = 0.0020790 k( 28) = ( 0.1323529 -0.1323529 0.1323529), wk = 0.0020790 k( 29) = ( 0.1372549 -0.1372549 0.1372549), wk = 0.0020790 k( 30) = ( 0.1421569 -0.1421569 0.1421569), wk = 0.0020790 k( 31) = ( 0.1470588 -0.1470588 0.1470588), wk = 0.0020790 k( 32) = ( 0.1519608 -0.1519608 0.1519608), wk = 0.0020790 k( 33) = ( 0.1568627 -0.1568627 0.1568627), wk = 0.0020790 k( 34) = ( 0.1617647 -0.1617647 0.1617647), wk = 0.0020790 k( 35) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0020790 k( 36) = ( 0.1715686 -0.1715686 0.1715686), wk = 0.0020790 k( 37) = ( 0.1764706 -0.1764706 0.1764706), wk = 0.0020790 k( 38) = ( 0.1813725 -0.1813725 0.1813725), wk = 0.0020790 k( 39) = ( 0.1862745 -0.1862745 0.1862745), wk = 0.0020790 k( 40) = ( 0.1911765 -0.1911765 0.1911765), wk = 0.0020790 k( 41) = ( 0.1960784 -0.1960784 0.1960784), wk = 0.0020790 k( 42) = ( 0.2009804 -0.2009804 0.2009804), wk = 0.0020790 k( 43) = ( 0.2058823 -0.2058823 0.2058823), wk = 0.0020790 k( 44) = ( 0.2107843 -0.2107843 0.2107843), wk = 0.0020790 k( 45) = ( 0.2156863 -0.2156863 0.2156863), wk = 0.0020790 k( 46) = ( 0.2205882 -0.2205882 0.2205882), wk = 0.0020790 k( 47) = ( 0.2254902 -0.2254902 0.2254902), wk = 0.0020790 k( 48) = ( 0.2303922 -0.2303922 0.2303922), wk = 0.0020790 k( 49) = ( 0.2352941 -0.2352941 0.2352941), wk = 0.0020790 k( 50) = ( 0.2401961 -0.2401961 0.2401961), wk = 0.0020790 k( 51) = ( 0.2450980 -0.2450980 0.2450980), wk = 0.0020790 k( 52) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0020790 k( 53) = ( 0.2549020 -0.2549020 0.2549020), wk = 0.0020790 k( 54) = ( 0.2598039 -0.2598039 0.2598039), wk = 0.0020790 k( 55) = ( 0.2647059 -0.2647059 0.2647059), wk = 0.0020790 k( 56) = ( 0.2696078 -0.2696078 0.2696078), wk = 0.0020790 k( 57) = ( 0.2745098 -0.2745098 0.2745098), wk = 0.0020790 k( 58) = ( 0.2794118 -0.2794118 0.2794118), wk = 0.0020790 k( 59) = ( 0.2843137 -0.2843137 0.2843137), wk = 0.0020790 k( 60) = ( 0.2892157 -0.2892157 0.2892157), wk = 0.0020790 k( 61) = ( 0.2941177 -0.2941177 0.2941177), wk = 0.0020790 k( 62) = ( 0.2990196 -0.2990196 0.2990196), wk = 0.0020790 k( 63) = ( 0.3039216 -0.3039216 0.3039216), wk = 0.0020790 k( 64) = ( 0.3088235 -0.3088235 0.3088235), wk = 0.0020790 k( 65) = ( 0.3137255 -0.3137255 0.3137255), wk = 0.0020790 k( 66) = ( 0.3186274 -0.3186274 0.3186274), wk = 0.0020790 k( 67) = ( 0.3235294 -0.3235294 0.3235294), wk = 0.0020790 k( 68) = ( 0.3284314 -0.3284314 0.3284314), wk = 0.0020790 k( 69) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0020790 k( 70) = ( 0.3382353 -0.3382353 0.3382353), wk = 0.0020790 k( 71) = ( 0.3431373 -0.3431373 0.3431373), wk = 0.0020790 k( 72) = ( 0.3480392 -0.3480392 0.3480392), wk = 0.0020790 k( 73) = ( 0.3529412 -0.3529412 0.3529412), wk = 0.0020790 k( 74) = ( 0.3578431 -0.3578431 0.3578431), wk = 0.0020790 k( 75) = ( 0.3627451 -0.3627451 0.3627451), wk = 0.0020790 k( 76) = ( 0.3676471 -0.3676471 0.3676471), wk = 0.0020790 k( 77) = ( 0.3725490 -0.3725490 0.3725490), wk = 0.0020790 k( 78) = ( 0.3774510 -0.3774510 0.3774510), wk = 0.0020790 k( 79) = ( 0.3823529 -0.3823529 0.3823529), wk = 0.0020790 k( 80) = ( 0.3872549 -0.3872549 0.3872549), wk = 0.0020790 k( 81) = ( 0.3921569 -0.3921569 0.3921569), wk = 0.0020790 k( 82) = ( 0.3970588 -0.3970588 0.3970588), wk = 0.0020790 k( 83) = ( 0.4019608 -0.4019608 0.4019608), wk = 0.0020790 k( 84) = ( 0.4068627 -0.4068627 0.4068627), wk = 0.0020790 k( 85) = ( 0.4117647 -0.4117647 0.4117647), wk = 0.0020790 k( 86) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0020790 k( 87) = ( 0.4215686 -0.4215686 0.4215686), wk = 0.0020790 k( 88) = ( 0.4264706 -0.4264706 0.4264706), wk = 0.0020790 k( 89) = ( 0.4313726 -0.4313726 0.4313726), wk = 0.0020790 k( 90) = ( 0.4362745 -0.4362745 0.4362745), wk = 0.0020790 k( 91) = ( 0.4411765 -0.4411765 0.4411765), wk = 0.0020790 k( 92) = ( 0.4460784 -0.4460784 0.4460784), wk = 0.0020790 k( 93) = ( 0.4509804 -0.4509804 0.4509804), wk = 0.0020790 k( 94) = ( 0.4558823 -0.4558823 0.4558823), wk = 0.0020790 k( 95) = ( 0.4607843 -0.4607843 0.4607843), wk = 0.0020790 k( 96) = ( 0.4656863 -0.4656863 0.4656863), wk = 0.0020790 k( 97) = ( 0.4705882 -0.4705882 0.4705882), wk = 0.0020790 k( 98) = ( 0.4754902 -0.4754902 0.4754902), wk = 0.0020790 k( 99) = ( 0.4803922 -0.4803922 0.4803922), wk = 0.0020790 k( 100) = ( 0.4852941 -0.4852941 0.4852941), wk = 0.0020790 k( 101) = ( 0.4901961 -0.4901961 0.4901961), wk = 0.0020790 k( 102) = ( 0.4950980 -0.4950980 0.4950980), wk = 0.0020790 k( 103) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020790 k( 104) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020790 k( 105) = ( 0.4930556 -0.4930556 0.5000000), wk = 0.0020790 k( 106) = ( 0.4861111 -0.4861111 0.5000000), wk = 0.0020790 k( 107) = ( 0.4791667 -0.4791667 0.5000000), wk = 0.0020790 k( 108) = ( 0.4722222 -0.4722222 0.5000000), wk = 0.0020790 k( 109) = ( 0.4652778 -0.4652778 0.5000000), wk = 0.0020790 k( 110) = ( 0.4583333 -0.4583333 0.5000000), wk = 0.0020790 k( 111) = ( 0.4513889 -0.4513889 0.5000000), wk = 0.0020790 k( 112) = ( 0.4444444 -0.4444444 0.5000000), wk = 0.0020790 k( 113) = ( 0.4375000 -0.4375000 0.5000000), wk = 0.0020790 k( 114) = ( 0.4305556 -0.4305556 0.5000000), wk = 0.0020790 k( 115) = ( 0.4236111 -0.4236111 0.5000000), wk = 0.0020790 k( 116) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0020790 k( 117) = ( 0.4097222 -0.4097222 0.5000000), wk = 0.0020790 k( 118) = ( 0.4027778 -0.4027778 0.5000000), wk = 0.0020790 k( 119) = ( 0.3958333 -0.3958333 0.5000000), wk = 0.0020790 k( 120) = ( 0.3888889 -0.3888889 0.5000000), wk = 0.0020790 k( 121) = ( 0.3819444 -0.3819444 0.5000000), wk = 0.0020790 k( 122) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0020790 k( 123) = ( 0.3680556 -0.3680556 0.5000000), wk = 0.0020790 k( 124) = ( 0.3611111 -0.3611111 0.5000000), wk = 0.0020790 k( 125) = ( 0.3541667 -0.3541667 0.5000000), wk = 0.0020790 k( 126) = ( 0.3472222 -0.3472222 0.5000000), wk = 0.0020790 k( 127) = ( 0.3402778 -0.3402778 0.5000000), wk = 0.0020790 k( 128) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0020790 k( 129) = ( 0.3263889 -0.3263889 0.5000000), wk = 0.0020790 k( 130) = ( 0.3194444 -0.3194444 0.5000000), wk = 0.0020790 k( 131) = ( 0.3125000 -0.3125000 0.5000000), wk = 0.0020790 k( 132) = ( 0.3055556 -0.3055556 0.5000000), wk = 0.0020790 k( 133) = ( 0.2986111 -0.2986111 0.5000000), wk = 0.0020790 k( 134) = ( 0.2916667 -0.2916667 0.5000000), wk = 0.0020790 k( 135) = ( 0.2847222 -0.2847222 0.5000000), wk = 0.0020790 k( 136) = ( 0.2777778 -0.2777778 0.5000000), wk = 0.0020790 k( 137) = ( 0.2708333 -0.2708333 0.5000000), wk = 0.0020790 k( 138) = ( 0.2638889 -0.2638889 0.5000000), wk = 0.0020790 k( 139) = ( 0.2569444 -0.2569444 0.5000000), wk = 0.0020790 k( 140) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0020790 k( 141) = ( 0.2430556 -0.2430556 0.5000000), wk = 0.0020790 k( 142) = ( 0.2361111 -0.2361111 0.5000000), wk = 0.0020790 k( 143) = ( 0.2291667 -0.2291667 0.5000000), wk = 0.0020790 k( 144) = ( 0.2222222 -0.2222222 0.5000000), wk = 0.0020790 k( 145) = ( 0.2152778 -0.2152778 0.5000000), wk = 0.0020790 k( 146) = ( 0.2083333 -0.2083333 0.5000000), wk = 0.0020790 k( 147) = ( 0.2013889 -0.2013889 0.5000000), wk = 0.0020790 k( 148) = ( 0.1944444 -0.1944444 0.5000000), wk = 0.0020790 k( 149) = ( 0.1875000 -0.1875000 0.5000000), wk = 0.0020790 k( 150) = ( 0.1805556 -0.1805556 0.5000000), wk = 0.0020790 k( 151) = ( 0.1736111 -0.1736111 0.5000000), wk = 0.0020790 k( 152) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0020790 k( 153) = ( 0.1597222 -0.1597222 0.5000000), wk = 0.0020790 k( 154) = ( 0.1527778 -0.1527778 0.5000000), wk = 0.0020790 k( 155) = ( 0.1458333 -0.1458333 0.5000000), wk = 0.0020790 k( 156) = ( 0.1388889 -0.1388889 0.5000000), wk = 0.0020790 k( 157) = ( 0.1319444 -0.1319444 0.5000000), wk = 0.0020790 k( 158) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0020790 k( 159) = ( 0.1180556 -0.1180556 0.5000000), wk = 0.0020790 k( 160) = ( 0.1111111 -0.1111111 0.5000000), wk = 0.0020790 k( 161) = ( 0.1041667 -0.1041667 0.5000000), wk = 0.0020790 k( 162) = ( 0.0972222 -0.0972222 0.5000000), wk = 0.0020790 k( 163) = ( 0.0902778 -0.0902778 0.5000000), wk = 0.0020790 k( 164) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0020790 k( 165) = ( 0.0763889 -0.0763889 0.5000000), wk = 0.0020790 k( 166) = ( 0.0694444 -0.0694444 0.5000000), wk = 0.0020790 k( 167) = ( 0.0625000 -0.0625000 0.5000000), wk = 0.0020790 k( 168) = ( 0.0555556 -0.0555556 0.5000000), wk = 0.0020790 k( 169) = ( 0.0486111 -0.0486111 0.5000000), wk = 0.0020790 k( 170) = ( 0.0416667 -0.0416667 0.5000000), wk = 0.0020790 k( 171) = ( 0.0347222 -0.0347222 0.5000000), wk = 0.0020790 k( 172) = ( 0.0277778 -0.0277778 0.5000000), wk = 0.0020790 k( 173) = ( 0.0208333 -0.0208333 0.5000000), wk = 0.0020790 k( 174) = ( 0.0138889 -0.0138889 0.5000000), wk = 0.0020790 k( 175) = ( 0.0069444 -0.0069444 0.5000000), wk = 0.0020790 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 k( 178) = ( 0.0000000 0.0000000 0.4930556), wk = 0.0020790 k( 179) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020790 k( 180) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0020790 k( 181) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020790 k( 182) = ( 0.0000000 0.0000000 0.4652778), wk = 0.0020790 k( 183) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020790 k( 184) = ( 0.0000000 0.0000000 0.4513889), wk = 0.0020790 k( 185) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020790 k( 186) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020790 k( 187) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020790 k( 188) = ( 0.0000000 0.0000000 0.4236111), wk = 0.0020790 k( 189) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020790 k( 190) = ( 0.0000000 0.0000000 0.4097222), wk = 0.0020790 k( 191) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020790 k( 192) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0020790 k( 193) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020790 k( 194) = ( 0.0000000 0.0000000 0.3819444), wk = 0.0020790 k( 195) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020790 k( 196) = ( 0.0000000 0.0000000 0.3680556), wk = 0.0020790 k( 197) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020790 k( 198) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0020790 k( 199) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020790 k( 200) = ( 0.0000000 0.0000000 0.3402778), wk = 0.0020790 k( 201) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020790 k( 202) = ( 0.0000000 0.0000000 0.3263889), wk = 0.0020790 k( 203) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020790 k( 204) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020790 k( 205) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020790 k( 206) = ( 0.0000000 0.0000000 0.2986111), wk = 0.0020790 k( 207) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020790 k( 208) = ( 0.0000000 0.0000000 0.2847222), wk = 0.0020790 k( 209) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020790 k( 210) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0020790 k( 211) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020790 k( 212) = ( 0.0000000 0.0000000 0.2569444), wk = 0.0020790 k( 213) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020790 k( 214) = ( 0.0000000 0.0000000 0.2430556), wk = 0.0020790 k( 215) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020790 k( 216) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0020790 k( 217) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.2152778), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020790 k( 220) = ( 0.0000000 0.0000000 0.2013889), wk = 0.0020790 k( 221) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020790 k( 222) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020790 k( 223) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020790 k( 224) = ( 0.0000000 0.0000000 0.1736111), wk = 0.0020790 k( 225) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020790 k( 226) = ( 0.0000000 0.0000000 0.1597222), wk = 0.0020790 k( 227) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020790 k( 228) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0020790 k( 229) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020790 k( 230) = ( 0.0000000 0.0000000 0.1319444), wk = 0.0020790 k( 231) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020790 k( 232) = ( 0.0000000 0.0000000 0.1180556), wk = 0.0020790 k( 233) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020790 k( 234) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0020790 k( 235) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020790 k( 236) = ( 0.0000000 0.0000000 0.0902778), wk = 0.0020790 k( 237) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020790 k( 238) = ( 0.0000000 0.0000000 0.0763889), wk = 0.0020790 k( 239) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020790 k( 240) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020790 k( 241) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020790 k( 242) = ( 0.0000000 0.0000000 0.0486111), wk = 0.0020790 k( 243) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020790 k( 244) = ( 0.0000000 0.0000000 0.0347222), wk = 0.0020790 k( 245) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020790 k( 246) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0020790 k( 247) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020790 k( 248) = ( 0.0000000 0.0000000 0.0069444), wk = 0.0020790 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 251) = ( 0.0028090 0.0028090 0.0028090), wk = 0.0020790 k( 252) = ( 0.0056180 0.0056180 0.0056180), wk = 0.0020790 k( 253) = ( 0.0084270 0.0084270 0.0084270), wk = 0.0020790 k( 254) = ( 0.0112360 0.0112360 0.0112360), wk = 0.0020790 k( 255) = ( 0.0140449 0.0140449 0.0140449), wk = 0.0020790 k( 256) = ( 0.0168539 0.0168539 0.0168539), wk = 0.0020790 k( 257) = ( 0.0196629 0.0196629 0.0196629), wk = 0.0020790 k( 258) = ( 0.0224719 0.0224719 0.0224719), wk = 0.0020790 k( 259) = ( 0.0252809 0.0252809 0.0252809), wk = 0.0020790 k( 260) = ( 0.0280899 0.0280899 0.0280899), wk = 0.0020790 k( 261) = ( 0.0308989 0.0308989 0.0308989), wk = 0.0020790 k( 262) = ( 0.0337079 0.0337079 0.0337079), wk = 0.0020790 k( 263) = ( 0.0365168 0.0365168 0.0365168), wk = 0.0020790 k( 264) = ( 0.0393258 0.0393258 0.0393258), wk = 0.0020790 k( 265) = ( 0.0421348 0.0421348 0.0421348), wk = 0.0020790 k( 266) = ( 0.0449438 0.0449438 0.0449438), wk = 0.0020790 k( 267) = ( 0.0477528 0.0477528 0.0477528), wk = 0.0020790 k( 268) = ( 0.0505618 0.0505618 0.0505618), wk = 0.0020790 k( 269) = ( 0.0533708 0.0533708 0.0533708), wk = 0.0020790 k( 270) = ( 0.0561798 0.0561798 0.0561798), wk = 0.0020790 k( 271) = ( 0.0589888 0.0589888 0.0589888), wk = 0.0020790 k( 272) = ( 0.0617977 0.0617978 0.0617978), wk = 0.0020790 k( 273) = ( 0.0646067 0.0646067 0.0646067), wk = 0.0020790 k( 274) = ( 0.0674157 0.0674157 0.0674157), wk = 0.0020790 k( 275) = ( 0.0702247 0.0702247 0.0702247), wk = 0.0020790 k( 276) = ( 0.0730337 0.0730337 0.0730337), wk = 0.0020790 k( 277) = ( 0.0758427 0.0758427 0.0758427), wk = 0.0020790 k( 278) = ( 0.0786517 0.0786517 0.0786517), wk = 0.0020790 k( 279) = ( 0.0814607 0.0814607 0.0814607), wk = 0.0020790 k( 280) = ( 0.0842697 0.0842697 0.0842697), wk = 0.0020790 k( 281) = ( 0.0870786 0.0870786 0.0870786), wk = 0.0020790 k( 282) = ( 0.0898876 0.0898876 0.0898876), wk = 0.0020790 k( 283) = ( 0.0926966 0.0926966 0.0926966), wk = 0.0020790 k( 284) = ( 0.0955056 0.0955056 0.0955056), wk = 0.0020790 k( 285) = ( 0.0983146 0.0983146 0.0983146), wk = 0.0020790 k( 286) = ( 0.1011236 0.1011236 0.1011236), wk = 0.0020790 k( 287) = ( 0.1039326 0.1039326 0.1039326), wk = 0.0020790 k( 288) = ( 0.1067416 0.1067416 0.1067416), wk = 0.0020790 k( 289) = ( 0.1095506 0.1095506 0.1095506), wk = 0.0020790 k( 290) = ( 0.1123596 0.1123596 0.1123595), wk = 0.0020790 k( 291) = ( 0.1151685 0.1151685 0.1151685), wk = 0.0020790 k( 292) = ( 0.1179775 0.1179775 0.1179775), wk = 0.0020790 k( 293) = ( 0.1207865 0.1207865 0.1207865), wk = 0.0020790 k( 294) = ( 0.1235955 0.1235955 0.1235955), wk = 0.0020790 k( 295) = ( 0.1264045 0.1264045 0.1264045), wk = 0.0020790 k( 296) = ( 0.1292135 0.1292135 0.1292135), wk = 0.0020790 k( 297) = ( 0.1320225 0.1320225 0.1320225), wk = 0.0020790 k( 298) = ( 0.1348315 0.1348315 0.1348315), wk = 0.0020790 k( 299) = ( 0.1376404 0.1376404 0.1376405), wk = 0.0020790 k( 300) = ( 0.1404494 0.1404494 0.1404494), wk = 0.0020790 k( 301) = ( 0.1432584 0.1432584 0.1432584), wk = 0.0020790 k( 302) = ( 0.1460674 0.1460674 0.1460674), wk = 0.0020790 k( 303) = ( 0.1488764 0.1488764 0.1488764), wk = 0.0020790 k( 304) = ( 0.1516854 0.1516854 0.1516854), wk = 0.0020790 k( 305) = ( 0.1544944 0.1544944 0.1544944), wk = 0.0020790 k( 306) = ( 0.1573034 0.1573034 0.1573034), wk = 0.0020790 k( 307) = ( 0.1601124 0.1601124 0.1601124), wk = 0.0020790 k( 308) = ( 0.1629213 0.1629213 0.1629213), wk = 0.0020790 k( 309) = ( 0.1657303 0.1657303 0.1657303), wk = 0.0020790 k( 310) = ( 0.1685393 0.1685393 0.1685393), wk = 0.0020790 k( 311) = ( 0.1713483 0.1713483 0.1713483), wk = 0.0020790 k( 312) = ( 0.1741573 0.1741573 0.1741573), wk = 0.0020790 k( 313) = ( 0.1769663 0.1769663 0.1769663), wk = 0.0020790 k( 314) = ( 0.1797753 0.1797753 0.1797753), wk = 0.0020790 k( 315) = ( 0.1825843 0.1825843 0.1825843), wk = 0.0020790 k( 316) = ( 0.1853933 0.1853933 0.1853933), wk = 0.0020790 k( 317) = ( 0.1882022 0.1882022 0.1882022), wk = 0.0020790 k( 318) = ( 0.1910112 0.1910112 0.1910112), wk = 0.0020790 k( 319) = ( 0.1938202 0.1938202 0.1938202), wk = 0.0020790 k( 320) = ( 0.1966292 0.1966292 0.1966292), wk = 0.0020790 k( 321) = ( 0.1994382 0.1994382 0.1994382), wk = 0.0020790 k( 322) = ( 0.2022472 0.2022472 0.2022472), wk = 0.0020790 k( 323) = ( 0.2050562 0.2050562 0.2050562), wk = 0.0020790 k( 324) = ( 0.2078652 0.2078652 0.2078652), wk = 0.0020790 k( 325) = ( 0.2106742 0.2106742 0.2106742), wk = 0.0020790 k( 326) = ( 0.2134832 0.2134832 0.2134831), wk = 0.0020790 k( 327) = ( 0.2162921 0.2162921 0.2162921), wk = 0.0020790 k( 328) = ( 0.2191011 0.2191011 0.2191011), wk = 0.0020790 k( 329) = ( 0.2219101 0.2219101 0.2219101), wk = 0.0020790 k( 330) = ( 0.2247191 0.2247191 0.2247191), wk = 0.0020790 k( 331) = ( 0.2275281 0.2275281 0.2275281), wk = 0.0020790 k( 332) = ( 0.2303371 0.2303371 0.2303371), wk = 0.0020790 k( 333) = ( 0.2331461 0.2331461 0.2331461), wk = 0.0020790 k( 334) = ( 0.2359551 0.2359551 0.2359551), wk = 0.0020790 k( 335) = ( 0.2387640 0.2387640 0.2387640), wk = 0.0020790 k( 336) = ( 0.2415730 0.2415730 0.2415730), wk = 0.0020790 k( 337) = ( 0.2443820 0.2443820 0.2443820), wk = 0.0020790 k( 338) = ( 0.2471910 0.2471910 0.2471910), wk = 0.0020790 k( 339) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020790 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020790 k( 341) = ( 0.2528090 0.2415730 0.2528090), wk = 0.0020790 k( 342) = ( 0.2556180 0.2331461 0.2556180), wk = 0.0020790 k( 343) = ( 0.2584270 0.2247191 0.2584270), wk = 0.0020790 k( 344) = ( 0.2612360 0.2162921 0.2612360), wk = 0.0020790 k( 345) = ( 0.2640449 0.2078652 0.2640449), wk = 0.0020790 k( 346) = ( 0.2668539 0.1994382 0.2668539), wk = 0.0020790 k( 347) = ( 0.2696629 0.1910112 0.2696629), wk = 0.0020790 k( 348) = ( 0.2724719 0.1825843 0.2724719), wk = 0.0020790 k( 349) = ( 0.2752809 0.1741573 0.2752809), wk = 0.0020790 k( 350) = ( 0.2780899 0.1657303 0.2780899), wk = 0.0020790 k( 351) = ( 0.2808989 0.1573034 0.2808989), wk = 0.0020790 k( 352) = ( 0.2837079 0.1488764 0.2837079), wk = 0.0020790 k( 353) = ( 0.2865168 0.1404494 0.2865168), wk = 0.0020790 k( 354) = ( 0.2893258 0.1320225 0.2893258), wk = 0.0020790 k( 355) = ( 0.2921348 0.1235955 0.2921348), wk = 0.0020790 k( 356) = ( 0.2949438 0.1151685 0.2949438), wk = 0.0020790 k( 357) = ( 0.2977528 0.1067416 0.2977528), wk = 0.0020790 k( 358) = ( 0.3005618 0.0983146 0.3005618), wk = 0.0020790 k( 359) = ( 0.3033708 0.0898876 0.3033708), wk = 0.0020790 k( 360) = ( 0.3061798 0.0814607 0.3061798), wk = 0.0020790 k( 361) = ( 0.3089888 0.0730337 0.3089888), wk = 0.0020790 k( 362) = ( 0.3117977 0.0646067 0.3117977), wk = 0.0020790 k( 363) = ( 0.3146067 0.0561798 0.3146067), wk = 0.0020790 k( 364) = ( 0.3174157 0.0477528 0.3174157), wk = 0.0020790 k( 365) = ( 0.3202247 0.0393258 0.3202247), wk = 0.0020790 k( 366) = ( 0.3230337 0.0308989 0.3230337), wk = 0.0020790 k( 367) = ( 0.3258427 0.0224719 0.3258427), wk = 0.0020790 k( 368) = ( 0.3286517 0.0140449 0.3286517), wk = 0.0020790 k( 369) = ( 0.3314607 0.0056180 0.3314607), wk = 0.0020790 k( 370) = ( 0.3342697 -0.0028090 0.3342697), wk = 0.0020790 k( 371) = ( 0.3370786 -0.0112360 0.3370786), wk = 0.0020790 k( 372) = ( 0.3398876 -0.0196629 0.3398876), wk = 0.0020790 k( 373) = ( 0.3426966 -0.0280899 0.3426966), wk = 0.0020790 k( 374) = ( 0.3455056 -0.0365168 0.3455056), wk = 0.0020790 k( 375) = ( 0.3483146 -0.0449438 0.3483146), wk = 0.0020790 k( 376) = ( 0.3511236 -0.0533708 0.3511236), wk = 0.0020790 k( 377) = ( 0.3539326 -0.0617977 0.3539326), wk = 0.0020790 k( 378) = ( 0.3567416 -0.0702247 0.3567416), wk = 0.0020790 k( 379) = ( 0.3595506 -0.0786517 0.3595506), wk = 0.0020790 k( 380) = ( 0.3623595 -0.0870786 0.3623595), wk = 0.0020790 k( 381) = ( 0.3651685 -0.0955056 0.3651685), wk = 0.0020790 k( 382) = ( 0.3679775 -0.1039326 0.3679775), wk = 0.0020790 k( 383) = ( 0.3707865 -0.1123595 0.3707865), wk = 0.0020790 k( 384) = ( 0.3735955 -0.1207865 0.3735955), wk = 0.0020790 k( 385) = ( 0.3764045 -0.1292135 0.3764045), wk = 0.0020790 k( 386) = ( 0.3792135 -0.1376404 0.3792135), wk = 0.0020790 k( 387) = ( 0.3820225 -0.1460674 0.3820225), wk = 0.0020790 k( 388) = ( 0.3848315 -0.1544944 0.3848315), wk = 0.0020790 k( 389) = ( 0.3876405 -0.1629213 0.3876405), wk = 0.0020790 k( 390) = ( 0.3904494 -0.1713483 0.3904494), wk = 0.0020790 k( 391) = ( 0.3932584 -0.1797753 0.3932584), wk = 0.0020790 k( 392) = ( 0.3960674 -0.1882022 0.3960674), wk = 0.0020790 k( 393) = ( 0.3988764 -0.1966292 0.3988764), wk = 0.0020790 k( 394) = ( 0.4016854 -0.2050562 0.4016854), wk = 0.0020790 k( 395) = ( 0.4044944 -0.2134832 0.4044944), wk = 0.0020790 k( 396) = ( 0.4073034 -0.2219101 0.4073034), wk = 0.0020790 k( 397) = ( 0.4101124 -0.2303371 0.4101124), wk = 0.0020790 k( 398) = ( 0.4129214 -0.2387640 0.4129214), wk = 0.0020790 k( 399) = ( 0.4157303 -0.2471910 0.4157303), wk = 0.0020790 k( 400) = ( 0.4185393 -0.2556180 0.4185393), wk = 0.0020790 k( 401) = ( 0.4213483 -0.2640449 0.4213483), wk = 0.0020790 k( 402) = ( 0.4241573 -0.2724719 0.4241573), wk = 0.0020790 k( 403) = ( 0.4269663 -0.2808989 0.4269663), wk = 0.0020790 k( 404) = ( 0.4297753 -0.2893258 0.4297753), wk = 0.0020790 k( 405) = ( 0.4325843 -0.2977528 0.4325843), wk = 0.0020790 k( 406) = ( 0.4353933 -0.3061798 0.4353933), wk = 0.0020790 k( 407) = ( 0.4382023 -0.3146067 0.4382023), wk = 0.0020790 k( 408) = ( 0.4410112 -0.3230337 0.4410112), wk = 0.0020790 k( 409) = ( 0.4438202 -0.3314607 0.4438202), wk = 0.0020790 k( 410) = ( 0.4466292 -0.3398876 0.4466292), wk = 0.0020790 k( 411) = ( 0.4494382 -0.3483146 0.4494382), wk = 0.0020790 k( 412) = ( 0.4522472 -0.3567416 0.4522472), wk = 0.0020790 k( 413) = ( 0.4550562 -0.3651685 0.4550562), wk = 0.0020790 k( 414) = ( 0.4578652 -0.3735955 0.4578652), wk = 0.0020790 k( 415) = ( 0.4606742 -0.3820225 0.4606742), wk = 0.0020790 k( 416) = ( 0.4634832 -0.3904494 0.4634831), wk = 0.0020790 k( 417) = ( 0.4662921 -0.3988764 0.4662921), wk = 0.0020790 k( 418) = ( 0.4691011 -0.4073034 0.4691011), wk = 0.0020790 k( 419) = ( 0.4719101 -0.4157303 0.4719101), wk = 0.0020790 k( 420) = ( 0.4747191 -0.4241573 0.4747191), wk = 0.0020790 k( 421) = ( 0.4775281 -0.4325843 0.4775281), wk = 0.0020790 k( 422) = ( 0.4803371 -0.4410112 0.4803371), wk = 0.0020790 k( 423) = ( 0.4831461 -0.4494382 0.4831461), wk = 0.0020790 k( 424) = ( 0.4859551 -0.4578652 0.4859551), wk = 0.0020790 k( 425) = ( 0.4887640 -0.4662921 0.4887640), wk = 0.0020790 k( 426) = ( 0.4915730 -0.4747191 0.4915730), wk = 0.0020790 k( 427) = ( 0.4943820 -0.4831461 0.4943820), wk = 0.0020790 k( 428) = ( 0.4971910 -0.4915730 0.4971910), wk = 0.0020790 k( 429) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0020790 k( 430) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020790 k( 431) = ( 0.2450980 0.2450980 0.2549020), wk = 0.0020790 k( 432) = ( 0.2401961 0.2401961 0.2598039), wk = 0.0020790 k( 433) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0020790 k( 434) = ( 0.2303922 0.2303922 0.2696078), wk = 0.0020790 k( 435) = ( 0.2254902 0.2254902 0.2745098), wk = 0.0020790 k( 436) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0020790 k( 437) = ( 0.2156863 0.2156863 0.2843137), wk = 0.0020790 k( 438) = ( 0.2107843 0.2107843 0.2892157), wk = 0.0020790 k( 439) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0020790 k( 440) = ( 0.2009804 0.2009804 0.2990196), wk = 0.0020790 k( 441) = ( 0.1960784 0.1960784 0.3039216), wk = 0.0020790 k( 442) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0020790 k( 443) = ( 0.1862745 0.1862745 0.3137255), wk = 0.0020790 k( 444) = ( 0.1813725 0.1813726 0.3186274), wk = 0.0020790 k( 445) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0020790 k( 446) = ( 0.1715686 0.1715686 0.3284314), wk = 0.0020790 k( 447) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020790 k( 448) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0020790 k( 449) = ( 0.1568627 0.1568627 0.3431373), wk = 0.0020790 k( 450) = ( 0.1519608 0.1519608 0.3480392), wk = 0.0020790 k( 451) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0020790 k( 452) = ( 0.1421569 0.1421569 0.3578431), wk = 0.0020790 k( 453) = ( 0.1372549 0.1372549 0.3627451), wk = 0.0020790 k( 454) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0020790 k( 455) = ( 0.1274510 0.1274510 0.3725490), wk = 0.0020790 k( 456) = ( 0.1225490 0.1225490 0.3774510), wk = 0.0020790 k( 457) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0020790 k( 458) = ( 0.1127451 0.1127451 0.3872549), wk = 0.0020790 k( 459) = ( 0.1078431 0.1078431 0.3921569), wk = 0.0020790 k( 460) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0020790 k( 461) = ( 0.0980392 0.0980392 0.4019608), wk = 0.0020790 k( 462) = ( 0.0931373 0.0931373 0.4068627), wk = 0.0020790 k( 463) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0020790 k( 464) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0020790 k( 465) = ( 0.0784314 0.0784314 0.4215686), wk = 0.0020790 k( 466) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0020790 k( 467) = ( 0.0686275 0.0686275 0.4313725), wk = 0.0020790 k( 468) = ( 0.0637255 0.0637255 0.4362745), wk = 0.0020790 k( 469) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0020790 k( 470) = ( 0.0539216 0.0539216 0.4460784), wk = 0.0020790 k( 471) = ( 0.0490196 0.0490196 0.4509804), wk = 0.0020790 k( 472) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0020790 k( 473) = ( 0.0392157 0.0392157 0.4607843), wk = 0.0020790 k( 474) = ( 0.0343137 0.0343137 0.4656863), wk = 0.0020790 k( 475) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0020790 k( 476) = ( 0.0245098 0.0245098 0.4754902), wk = 0.0020790 k( 477) = ( 0.0196078 0.0196078 0.4803922), wk = 0.0020790 k( 478) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0020790 k( 479) = ( 0.0098039 0.0098039 0.4901961), wk = 0.0020790 k( 480) = ( 0.0049020 0.0049020 0.4950980), wk = 0.0020790 k( 481) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 Dense grid: 6603 G-vectors FFT dimensions: ( 25, 25, 25) Smooth grid: 4417 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 22) NL pseudopotentials 0.01 Mb ( 18, 34) Each V/rho on FFT grid 0.01 Mb ( 625) Each G-vector array 0.00 Mb ( 184) G-vector shells 0.00 Mb ( 56) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 36, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Sn.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.5 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.8 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.0 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.2 secs Computing kpt #: 27 total cpu time spent up to now is 7.3 secs Computing kpt #: 28 total cpu time spent up to now is 7.3 secs Computing kpt #: 29 total cpu time spent up to now is 7.4 secs Computing kpt #: 30 total cpu time spent up to now is 7.5 secs Computing kpt #: 31 total cpu time spent up to now is 7.5 secs Computing kpt #: 32 total cpu time spent up to now is 7.6 secs Computing kpt #: 33 total cpu time spent up to now is 7.7 secs Computing kpt #: 34 total cpu time spent up to now is 7.7 secs Computing kpt #: 35 total cpu time spent up to now is 7.8 secs Computing kpt #: 36 total cpu time spent up to now is 7.9 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.0 secs Computing kpt #: 39 total cpu time spent up to now is 8.1 secs Computing kpt #: 40 total cpu time spent up to now is 8.1 secs Computing kpt #: 41 total cpu time spent up to now is 8.2 secs Computing kpt #: 42 total cpu time spent up to now is 8.3 secs Computing kpt #: 43 total cpu time spent up to now is 8.3 secs Computing kpt #: 44 total cpu time spent up to now is 8.4 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.6 secs Computing kpt #: 48 total cpu time spent up to now is 8.7 secs Computing kpt #: 49 total cpu time spent up to now is 8.8 secs Computing kpt #: 50 total cpu time spent up to now is 8.9 secs Computing kpt #: 51 total cpu time spent up to now is 9.0 secs Computing kpt #: 52 total cpu time spent up to now is 9.1 secs Computing kpt #: 53 total cpu time spent up to now is 9.2 secs Computing kpt #: 54 total cpu time spent up to now is 9.3 secs Computing kpt #: 55 total cpu time spent up to now is 9.4 secs Computing kpt #: 56 total cpu time spent up to now is 9.4 secs Computing kpt #: 57 total cpu time spent up to now is 9.5 secs Computing kpt #: 58 total cpu time spent up to now is 9.6 secs Computing kpt #: 59 total cpu time spent up to now is 9.6 secs Computing kpt #: 60 total cpu time spent up to now is 9.7 secs Computing kpt #: 61 total cpu time spent up to now is 9.7 secs Computing kpt #: 62 total cpu time spent up to now is 9.8 secs Computing kpt #: 63 total cpu time spent up to now is 9.8 secs Computing kpt #: 64 total cpu time spent up to now is 9.9 secs Computing kpt #: 65 total cpu time spent up to now is 9.9 secs Computing kpt #: 66 total cpu time spent up to now is 10.0 secs Computing kpt #: 67 total cpu time spent up to now is 10.0 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.2 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.4 secs Computing kpt #: 77 total cpu time spent up to now is 10.4 secs Computing kpt #: 78 total cpu time spent up to now is 10.5 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.6 secs Computing kpt #: 81 total cpu time spent up to now is 10.6 secs Computing kpt #: 82 total cpu time spent up to now is 10.7 secs Computing kpt #: 83 total cpu time spent up to now is 10.7 secs Computing kpt #: 84 total cpu time spent up to now is 10.7 secs Computing kpt #: 85 total cpu time spent up to now is 10.8 secs Computing kpt #: 86 total cpu time spent up to now is 10.8 secs Computing kpt #: 87 total cpu time spent up to now is 10.9 secs Computing kpt #: 88 total cpu time spent up to now is 10.9 secs Computing kpt #: 89 total cpu time spent up to now is 11.0 secs Computing kpt #: 90 total cpu time spent up to now is 11.0 secs Computing kpt #: 91 total cpu time spent up to now is 11.1 secs Computing kpt #: 92 total cpu time spent up to now is 11.1 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.2 secs Computing kpt #: 96 total cpu time spent up to now is 11.3 secs Computing kpt #: 97 total cpu time spent up to now is 11.3 secs Computing kpt #: 98 total cpu time spent up to now is 11.4 secs Computing kpt #: 99 total cpu time spent up to now is 11.4 secs Computing kpt #: 100 total cpu time spent up to now is 11.4 secs Computing kpt #: 101 total cpu time spent up to now is 11.5 secs Computing kpt #: 102 total cpu time spent up to now is 11.5 secs Computing kpt #: 103 total cpu time spent up to now is 11.6 secs Computing kpt #: 104 total cpu time spent up to now is 11.6 secs Computing kpt #: 105 total cpu time spent up to now is 11.7 secs Computing kpt #: 106 total cpu time spent up to now is 11.7 secs Computing kpt #: 107 total cpu time spent up to now is 11.7 secs Computing kpt #: 108 total cpu time spent up to now is 11.8 secs Computing kpt #: 109 total cpu time spent up to now is 11.8 secs Computing kpt #: 110 total cpu time spent up to now is 11.9 secs Computing kpt #: 111 total cpu time spent up to now is 11.9 secs Computing kpt #: 112 total cpu time spent up to now is 12.0 secs Computing kpt #: 113 total cpu time spent up to now is 12.0 secs Computing kpt #: 114 total cpu time spent up to now is 12.0 secs Computing kpt #: 115 total cpu time spent up to now is 12.1 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.2 secs Computing kpt #: 118 total cpu time spent up to now is 12.2 secs Computing kpt #: 119 total cpu time spent up to now is 12.3 secs Computing kpt #: 120 total cpu time spent up to now is 12.3 secs Computing kpt #: 121 total cpu time spent up to now is 12.3 secs Computing kpt #: 122 total cpu time spent up to now is 12.4 secs Computing kpt #: 123 total cpu time spent up to now is 12.4 secs Computing kpt #: 124 total cpu time spent up to now is 12.5 secs Computing kpt #: 125 total cpu time spent up to now is 12.5 secs Computing kpt #: 126 total cpu time spent up to now is 12.6 secs Computing kpt #: 127 total cpu time spent up to now is 12.6 secs Computing kpt #: 128 total cpu time spent up to now is 12.6 secs Computing kpt #: 129 total cpu time spent up to now is 12.7 secs Computing kpt #: 130 total cpu time spent up to now is 12.7 secs Computing kpt #: 131 total cpu time spent up to now is 12.8 secs Computing kpt #: 132 total cpu time spent up to now is 12.8 secs Computing kpt #: 133 total cpu time spent up to now is 12.8 secs Computing kpt #: 134 total cpu time spent up to now is 12.9 secs Computing kpt #: 135 total cpu time spent up to now is 12.9 secs Computing kpt #: 136 total cpu time spent up to now is 13.0 secs Computing kpt #: 137 total cpu time spent up to now is 13.0 secs Computing kpt #: 138 total cpu time spent up to now is 13.1 secs Computing kpt #: 139 total cpu time spent up to now is 13.1 secs Computing kpt #: 140 total cpu time spent up to now is 13.1 secs Computing kpt #: 141 total cpu time spent up to now is 13.2 secs Computing kpt #: 142 total cpu time spent up to now is 13.2 secs Computing kpt #: 143 total cpu time spent up to now is 13.3 secs Computing kpt #: 144 total cpu time spent up to now is 13.3 secs Computing kpt #: 145 total cpu time spent up to now is 13.4 secs Computing kpt #: 146 total cpu time spent up to now is 13.4 secs Computing kpt #: 147 total cpu time spent up to now is 13.5 secs Computing kpt #: 148 total cpu time spent up to now is 13.5 secs Computing kpt #: 149 total cpu time spent up to now is 13.6 secs Computing kpt #: 150 total cpu time spent up to now is 13.6 secs Computing kpt #: 151 total cpu time spent up to now is 13.7 secs Computing kpt #: 152 total cpu time spent up to now is 13.8 secs Computing kpt #: 153 total cpu time spent up to now is 13.8 secs Computing kpt #: 154 total cpu time spent up to now is 13.9 secs Computing kpt #: 155 total cpu time spent up to now is 14.0 secs Computing kpt #: 156 total cpu time spent up to now is 14.0 secs Computing kpt #: 157 total cpu time spent up to now is 14.1 secs Computing kpt #: 158 total cpu time spent up to now is 14.2 secs Computing kpt #: 159 total cpu time spent up to now is 14.2 secs Computing kpt #: 160 total cpu time spent up to now is 14.3 secs Computing kpt #: 161 total cpu time spent up to now is 14.3 secs Computing kpt #: 162 total cpu time spent up to now is 14.4 secs Computing kpt #: 163 total cpu time spent up to now is 14.4 secs Computing kpt #: 164 total cpu time spent up to now is 14.5 secs Computing kpt #: 165 total cpu time spent up to now is 14.5 secs Computing kpt #: 166 total cpu time spent up to now is 14.6 secs Computing kpt #: 167 total cpu time spent up to now is 14.6 secs Computing kpt #: 168 total cpu time spent up to now is 14.7 secs Computing kpt #: 169 total cpu time spent up to now is 14.7 secs Computing kpt #: 170 total cpu time spent up to now is 14.8 secs Computing kpt #: 171 total cpu time spent up to now is 14.8 secs Computing kpt #: 172 total cpu time spent up to now is 14.9 secs Computing kpt #: 173 total cpu time spent up to now is 14.9 secs Computing kpt #: 174 total cpu time spent up to now is 15.0 secs Computing kpt #: 175 total cpu time spent up to now is 15.0 secs Computing kpt #: 176 total cpu time spent up to now is 15.1 secs Computing kpt #: 177 total cpu time spent up to now is 15.1 secs Computing kpt #: 178 total cpu time spent up to now is 15.1 secs Computing kpt #: 179 total cpu time spent up to now is 15.2 secs Computing kpt #: 180 total cpu time spent up to now is 15.2 secs Computing kpt #: 181 total cpu time spent up to now is 15.3 secs Computing kpt #: 182 total cpu time spent up to now is 15.3 secs Computing kpt #: 183 total cpu time spent up to now is 15.4 secs Computing kpt #: 184 total cpu time spent up to now is 15.4 secs Computing kpt #: 185 total cpu time spent up to now is 15.5 secs Computing kpt #: 186 total cpu time spent up to now is 15.6 secs Computing kpt #: 187 total cpu time spent up to now is 15.7 secs Computing kpt #: 188 total cpu time spent up to now is 15.7 secs Computing kpt #: 189 total cpu time spent up to now is 15.8 secs Computing kpt #: 190 total cpu time spent up to now is 15.8 secs Computing kpt #: 191 total cpu time spent up to now is 15.9 secs Computing kpt #: 192 total cpu time spent up to now is 15.9 secs Computing kpt #: 193 total cpu time spent up to now is 16.0 secs Computing kpt #: 194 total cpu time spent up to now is 16.0 secs Computing kpt #: 195 total cpu time spent up to now is 16.1 secs Computing kpt #: 196 total cpu time spent up to now is 16.1 secs Computing kpt #: 197 total cpu time spent up to now is 16.2 secs Computing kpt #: 198 total cpu time spent up to now is 16.2 secs Computing kpt #: 199 total cpu time spent up to now is 16.3 secs Computing kpt #: 200 total cpu time spent up to now is 16.3 secs Computing kpt #: 201 total cpu time spent up to now is 16.4 secs Computing kpt #: 202 total cpu time spent up to now is 16.4 secs Computing kpt #: 203 total cpu time spent up to now is 16.5 secs Computing kpt #: 204 total cpu time spent up to now is 16.5 secs Computing kpt #: 205 total cpu time spent up to now is 16.6 secs Computing kpt #: 206 total cpu time spent up to now is 16.6 secs Computing kpt #: 207 total cpu time spent up to now is 16.7 secs Computing kpt #: 208 total cpu time spent up to now is 16.7 secs Computing kpt #: 209 total cpu time spent up to now is 16.8 secs Computing kpt #: 210 total cpu time spent up to now is 16.9 secs Computing kpt #: 211 total cpu time spent up to now is 16.9 secs Computing kpt #: 212 total cpu time spent up to now is 17.0 secs Computing kpt #: 213 total cpu time spent up to now is 17.0 secs Computing kpt #: 214 total cpu time spent up to now is 17.1 secs Computing kpt #: 215 total cpu time spent up to now is 17.1 secs Computing kpt #: 216 total cpu time spent up to now is 17.2 secs Computing kpt #: 217 total cpu time spent up to now is 17.2 secs Computing kpt #: 218 total cpu time spent up to now is 17.3 secs Computing kpt #: 219 total cpu time spent up to now is 17.3 secs Computing kpt #: 220 total cpu time spent up to now is 17.4 secs Computing kpt #: 221 total cpu time spent up to now is 17.5 secs Computing kpt #: 222 total cpu time spent up to now is 17.5 secs Computing kpt #: 223 total cpu time spent up to now is 17.6 secs Computing kpt #: 224 total cpu time spent up to now is 17.6 secs Computing kpt #: 225 total cpu time spent up to now is 17.7 secs Computing kpt #: 226 total cpu time spent up to now is 17.7 secs Computing kpt #: 227 total cpu time spent up to now is 17.8 secs Computing kpt #: 228 total cpu time spent up to now is 17.9 secs Computing kpt #: 229 total cpu time spent up to now is 17.9 secs Computing kpt #: 230 total cpu time spent up to now is 18.0 secs Computing kpt #: 231 total cpu time spent up to now is 18.1 secs Computing kpt #: 232 total cpu time spent up to now is 18.1 secs Computing kpt #: 233 total cpu time spent up to now is 18.2 secs Computing kpt #: 234 total cpu time spent up to now is 18.3 secs Computing kpt #: 235 total cpu time spent up to now is 18.4 secs Computing kpt #: 236 total cpu time spent up to now is 18.5 secs Computing kpt #: 237 total cpu time spent up to now is 18.6 secs Computing kpt #: 238 total cpu time spent up to now is 18.6 secs Computing kpt #: 239 total cpu time spent up to now is 18.7 secs Computing kpt #: 240 total cpu time spent up to now is 18.8 secs Computing kpt #: 241 total cpu time spent up to now is 18.9 secs Computing kpt #: 242 total cpu time spent up to now is 19.0 secs Computing kpt #: 243 total cpu time spent up to now is 19.1 secs Computing kpt #: 244 total cpu time spent up to now is 19.2 secs Computing kpt #: 245 total cpu time spent up to now is 19.2 secs Computing kpt #: 246 total cpu time spent up to now is 19.3 secs Computing kpt #: 247 total cpu time spent up to now is 19.4 secs Computing kpt #: 248 total cpu time spent up to now is 19.5 secs Computing kpt #: 249 total cpu time spent up to now is 19.5 secs Computing kpt #: 250 total cpu time spent up to now is 19.6 secs Computing kpt #: 251 total cpu time spent up to now is 19.7 secs Computing kpt #: 252 total cpu time spent up to now is 19.8 secs Computing kpt #: 253 total cpu time spent up to now is 19.8 secs Computing kpt #: 254 total cpu time spent up to now is 19.9 secs Computing kpt #: 255 total cpu time spent up to now is 20.0 secs Computing kpt #: 256 total cpu time spent up to now is 20.1 secs Computing kpt #: 257 total cpu time spent up to now is 20.1 secs Computing kpt #: 258 total cpu time spent up to now is 20.2 secs Computing kpt #: 259 total cpu time spent up to now is 20.3 secs Computing kpt #: 260 total cpu time spent up to now is 20.3 secs Computing kpt #: 261 total cpu time spent up to now is 20.4 secs Computing kpt #: 262 total cpu time spent up to now is 20.5 secs Computing kpt #: 263 total cpu time spent up to now is 20.5 secs Computing kpt #: 264 total cpu time spent up to now is 20.6 secs Computing kpt #: 265 total cpu time spent up to now is 20.7 secs Computing kpt #: 266 total cpu time spent up to now is 20.7 secs Computing kpt #: 267 total cpu time spent up to now is 20.8 secs Computing kpt #: 268 total cpu time spent up to now is 20.9 secs Computing kpt #: 269 total cpu time spent up to now is 20.9 secs Computing kpt #: 270 total cpu time spent up to now is 21.0 secs Computing kpt #: 271 total cpu time spent up to now is 21.1 secs Computing kpt #: 272 total cpu time spent up to now is 21.1 secs Computing kpt #: 273 total cpu time spent up to now is 21.2 secs Computing kpt #: 274 total cpu time spent up to now is 21.3 secs Computing kpt #: 275 total cpu time spent up to now is 21.3 secs Computing kpt #: 276 total cpu time spent up to now is 21.4 secs Computing kpt #: 277 total cpu time spent up to now is 21.5 secs Computing kpt #: 278 total cpu time spent up to now is 21.5 secs Computing kpt #: 279 total cpu time spent up to now is 21.6 secs Computing kpt #: 280 total cpu time spent up to now is 21.7 secs Computing kpt #: 281 total cpu time spent up to now is 21.7 secs Computing kpt #: 282 total cpu time spent up to now is 21.8 secs Computing kpt #: 283 total cpu time spent up to now is 21.9 secs Computing kpt #: 284 total cpu time spent up to now is 21.9 secs Computing kpt #: 285 total cpu time spent up to now is 22.0 secs Computing kpt #: 286 total cpu time spent up to now is 22.1 secs Computing kpt #: 287 total cpu time spent up to now is 22.1 secs Computing kpt #: 288 total cpu time spent up to now is 22.2 secs Computing kpt #: 289 total cpu time spent up to now is 22.3 secs Computing kpt #: 290 total cpu time spent up to now is 22.4 secs Computing kpt #: 291 total cpu time spent up to now is 22.4 secs Computing kpt #: 292 total cpu time spent up to now is 22.5 secs Computing kpt #: 293 total cpu time spent up to now is 22.6 secs Computing kpt #: 294 total cpu time spent up to now is 22.7 secs Computing kpt #: 295 total cpu time spent up to now is 22.8 secs Computing kpt #: 296 total cpu time spent up to now is 22.9 secs Computing kpt #: 297 total cpu time spent up to now is 23.0 secs Computing kpt #: 298 total cpu time spent up to now is 23.1 secs Computing kpt #: 299 total cpu time spent up to now is 23.2 secs Computing kpt #: 300 total cpu time spent up to now is 23.4 secs Computing kpt #: 301 total cpu time spent up to now is 23.5 secs Computing kpt #: 302 total cpu time spent up to now is 23.6 secs Computing kpt #: 303 total cpu time spent up to now is 23.7 secs Computing kpt #: 304 total cpu time spent up to now is 23.7 secs Computing kpt #: 305 total cpu time spent up to now is 23.8 secs Computing kpt #: 306 total cpu time spent up to now is 23.9 secs Computing kpt #: 307 total cpu time spent up to now is 24.0 secs Computing kpt #: 308 total cpu time spent up to now is 24.1 secs Computing kpt #: 309 total cpu time spent up to now is 24.1 secs Computing kpt #: 310 total cpu time spent up to now is 24.2 secs Computing kpt #: 311 total cpu time spent up to now is 24.3 secs Computing kpt #: 312 total cpu time spent up to now is 24.4 secs Computing kpt #: 313 total cpu time spent up to now is 24.4 secs Computing kpt #: 314 total cpu time spent up to now is 24.5 secs Computing kpt #: 315 total cpu time spent up to now is 24.6 secs Computing kpt #: 316 total cpu time spent up to now is 24.7 secs Computing kpt #: 317 total cpu time spent up to now is 24.8 secs Computing kpt #: 318 total cpu time spent up to now is 24.9 secs Computing kpt #: 319 total cpu time spent up to now is 25.0 secs Computing kpt #: 320 total cpu time spent up to now is 25.1 secs Computing kpt #: 321 total cpu time spent up to now is 25.2 secs Computing kpt #: 322 total cpu time spent up to now is 25.3 secs Computing kpt #: 323 total cpu time spent up to now is 25.4 secs Computing kpt #: 324 total cpu time spent up to now is 25.5 secs Computing kpt #: 325 total cpu time spent up to now is 25.7 secs Computing kpt #: 326 total cpu time spent up to now is 25.8 secs Computing kpt #: 327 total cpu time spent up to now is 25.9 secs Computing kpt #: 328 total cpu time spent up to now is 26.1 secs Computing kpt #: 329 total cpu time spent up to now is 26.2 secs Computing kpt #: 330 total cpu time spent up to now is 26.4 secs Computing kpt #: 331 total cpu time spent up to now is 26.5 secs Computing kpt #: 332 total cpu time spent up to now is 26.7 secs Computing kpt #: 333 total cpu time spent up to now is 26.9 secs Computing kpt #: 334 total cpu time spent up to now is 27.1 secs Computing kpt #: 335 total cpu time spent up to now is 27.2 secs Computing kpt #: 336 total cpu time spent up to now is 27.3 secs Computing kpt #: 337 total cpu time spent up to now is 27.6 secs Computing kpt #: 338 total cpu time spent up to now is 27.8 secs Computing kpt #: 339 total cpu time spent up to now is 27.9 secs Computing kpt #: 340 total cpu time spent up to now is 28.0 secs Computing kpt #: 341 total cpu time spent up to now is 28.2 secs Computing kpt #: 342 total cpu time spent up to now is 28.3 secs Computing kpt #: 343 total cpu time spent up to now is 28.4 secs Computing kpt #: 344 total cpu time spent up to now is 28.5 secs Computing kpt #: 345 total cpu time spent up to now is 28.6 secs Computing kpt #: 346 total cpu time spent up to now is 28.7 secs Computing kpt #: 347 total cpu time spent up to now is 28.8 secs Computing kpt #: 348 total cpu time spent up to now is 28.9 secs Computing kpt #: 349 total cpu time spent up to now is 29.0 secs Computing kpt #: 350 total cpu time spent up to now is 29.1 secs Computing kpt #: 351 total cpu time spent up to now is 29.2 secs Computing kpt #: 352 total cpu time spent up to now is 29.2 secs Computing kpt #: 353 total cpu time spent up to now is 29.3 secs Computing kpt #: 354 total cpu time spent up to now is 29.4 secs Computing kpt #: 355 total cpu time spent up to now is 29.5 secs Computing kpt #: 356 total cpu time spent up to now is 29.6 secs Computing kpt #: 357 total cpu time spent up to now is 29.7 secs Computing kpt #: 358 total cpu time spent up to now is 29.7 secs Computing kpt #: 359 total cpu time spent up to now is 29.8 secs Computing kpt #: 360 total cpu time spent up to now is 29.9 secs Computing kpt #: 361 total cpu time spent up to now is 30.0 secs Computing kpt #: 362 total cpu time spent up to now is 30.1 secs Computing kpt #: 363 total cpu time spent up to now is 30.1 secs Computing kpt #: 364 total cpu time spent up to now is 30.2 secs Computing kpt #: 365 total cpu time spent up to now is 30.3 secs Computing kpt #: 366 total cpu time spent up to now is 30.3 secs Computing kpt #: 367 total cpu time spent up to now is 30.4 secs Computing kpt #: 368 total cpu time spent up to now is 30.5 secs Computing kpt #: 369 total cpu time spent up to now is 30.5 secs Computing kpt #: 370 total cpu time spent up to now is 31.1 secs Computing kpt #: 371 total cpu time spent up to now is 31.1 secs Computing kpt #: 372 total cpu time spent up to now is 31.2 secs Computing kpt #: 373 total cpu time spent up to now is 31.2 secs Computing kpt #: 374 total cpu time spent up to now is 31.3 secs Computing kpt #: 375 total cpu time spent up to now is 31.3 secs Computing kpt #: 376 total cpu time spent up to now is 31.4 secs Computing kpt #: 377 total cpu time spent up to now is 31.4 secs Computing kpt #: 378 total cpu time spent up to now is 31.5 secs Computing kpt #: 379 total cpu time spent up to now is 31.5 secs Computing kpt #: 380 total cpu time spent up to now is 31.6 secs Computing kpt #: 381 total cpu time spent up to now is 31.6 secs Computing kpt #: 382 total cpu time spent up to now is 31.7 secs Computing kpt #: 383 total cpu time spent up to now is 31.7 secs Computing kpt #: 384 total cpu time spent up to now is 31.8 secs Computing kpt #: 385 total cpu time spent up to now is 31.8 secs Computing kpt #: 386 total cpu time spent up to now is 31.8 secs Computing kpt #: 387 total cpu time spent up to now is 31.9 secs Computing kpt #: 388 total cpu time spent up to now is 31.9 secs Computing kpt #: 389 total cpu time spent up to now is 32.0 secs Computing kpt #: 390 total cpu time spent up to now is 32.0 secs Computing kpt #: 391 total cpu time spent up to now is 32.1 secs Computing kpt #: 392 total cpu time spent up to now is 32.1 secs Computing kpt #: 393 total cpu time spent up to now is 32.2 secs Computing kpt #: 394 total cpu time spent up to now is 32.2 secs Computing kpt #: 395 total cpu time spent up to now is 32.3 secs Computing kpt #: 396 total cpu time spent up to now is 32.3 secs Computing kpt #: 397 total cpu time spent up to now is 32.3 secs Computing kpt #: 398 total cpu time spent up to now is 32.4 secs Computing kpt #: 399 total cpu time spent up to now is 32.4 secs Computing kpt #: 400 total cpu time spent up to now is 32.5 secs Computing kpt #: 401 total cpu time spent up to now is 32.5 secs Computing kpt #: 402 total cpu time spent up to now is 32.6 secs Computing kpt #: 403 total cpu time spent up to now is 32.6 secs Computing kpt #: 404 total cpu time spent up to now is 32.6 secs Computing kpt #: 405 total cpu time spent up to now is 32.7 secs Computing kpt #: 406 total cpu time spent up to now is 32.7 secs Computing kpt #: 407 total cpu time spent up to now is 32.8 secs Computing kpt #: 408 total cpu time spent up to now is 32.8 secs Computing kpt #: 409 total cpu time spent up to now is 32.9 secs Computing kpt #: 410 total cpu time spent up to now is 32.9 secs Computing kpt #: 411 total cpu time spent up to now is 32.9 secs Computing kpt #: 412 total cpu time spent up to now is 33.0 secs Computing kpt #: 413 total cpu time spent up to now is 33.0 secs Computing kpt #: 414 total cpu time spent up to now is 33.1 secs Computing kpt #: 415 total cpu time spent up to now is 33.1 secs Computing kpt #: 416 total cpu time spent up to now is 33.1 secs Computing kpt #: 417 total cpu time spent up to now is 33.2 secs Computing kpt #: 418 total cpu time spent up to now is 33.2 secs Computing kpt #: 419 total cpu time spent up to now is 33.3 secs Computing kpt #: 420 total cpu time spent up to now is 33.3 secs Computing kpt #: 421 total cpu time spent up to now is 33.4 secs Computing kpt #: 422 total cpu time spent up to now is 33.4 secs Computing kpt #: 423 total cpu time spent up to now is 33.4 secs Computing kpt #: 424 total cpu time spent up to now is 33.5 secs Computing kpt #: 425 total cpu time spent up to now is 33.5 secs Computing kpt #: 426 total cpu time spent up to now is 33.6 secs Computing kpt #: 427 total cpu time spent up to now is 33.6 secs Computing kpt #: 428 total cpu time spent up to now is 33.7 secs Computing kpt #: 429 total cpu time spent up to now is 33.7 secs Computing kpt #: 430 total cpu time spent up to now is 33.8 secs Computing kpt #: 431 total cpu time spent up to now is 34.0 secs Computing kpt #: 432 total cpu time spent up to now is 34.1 secs Computing kpt #: 433 total cpu time spent up to now is 34.2 secs Computing kpt #: 434 total cpu time spent up to now is 34.4 secs Computing kpt #: 435 total cpu time spent up to now is 34.5 secs Computing kpt #: 436 total cpu time spent up to now is 34.6 secs Computing kpt #: 437 total cpu time spent up to now is 34.7 secs Computing kpt #: 438 total cpu time spent up to now is 34.8 secs Computing kpt #: 439 total cpu time spent up to now is 34.9 secs Computing kpt #: 440 total cpu time spent up to now is 35.0 secs Computing kpt #: 441 total cpu time spent up to now is 35.1 secs Computing kpt #: 442 total cpu time spent up to now is 35.2 secs Computing kpt #: 443 total cpu time spent up to now is 35.3 secs Computing kpt #: 444 total cpu time spent up to now is 35.4 secs Computing kpt #: 445 total cpu time spent up to now is 35.5 secs Computing kpt #: 446 total cpu time spent up to now is 35.5 secs Computing kpt #: 447 total cpu time spent up to now is 35.6 secs Computing kpt #: 448 total cpu time spent up to now is 35.7 secs Computing kpt #: 449 total cpu time spent up to now is 35.7 secs Computing kpt #: 450 total cpu time spent up to now is 35.8 secs Computing kpt #: 451 total cpu time spent up to now is 35.9 secs Computing kpt #: 452 total cpu time spent up to now is 35.9 secs Computing kpt #: 453 total cpu time spent up to now is 36.0 secs Computing kpt #: 454 total cpu time spent up to now is 36.1 secs Computing kpt #: 455 total cpu time spent up to now is 36.1 secs Computing kpt #: 456 total cpu time spent up to now is 36.2 secs Computing kpt #: 457 total cpu time spent up to now is 36.3 secs Computing kpt #: 458 total cpu time spent up to now is 36.3 secs Computing kpt #: 459 total cpu time spent up to now is 36.4 secs Computing kpt #: 460 total cpu time spent up to now is 36.4 secs Computing kpt #: 461 total cpu time spent up to now is 36.5 secs Computing kpt #: 462 total cpu time spent up to now is 36.5 secs Computing kpt #: 463 total cpu time spent up to now is 36.6 secs Computing kpt #: 464 total cpu time spent up to now is 36.6 secs Computing kpt #: 465 total cpu time spent up to now is 36.7 secs Computing kpt #: 466 total cpu time spent up to now is 36.7 secs Computing kpt #: 467 total cpu time spent up to now is 36.8 secs Computing kpt #: 468 total cpu time spent up to now is 36.8 secs Computing kpt #: 469 total cpu time spent up to now is 36.9 secs Computing kpt #: 470 total cpu time spent up to now is 37.0 secs Computing kpt #: 471 total cpu time spent up to now is 37.0 secs Computing kpt #: 472 total cpu time spent up to now is 37.1 secs Computing kpt #: 473 total cpu time spent up to now is 37.1 secs Computing kpt #: 474 total cpu time spent up to now is 37.2 secs Computing kpt #: 475 total cpu time spent up to now is 37.2 secs Computing kpt #: 476 total cpu time spent up to now is 37.3 secs Computing kpt #: 477 total cpu time spent up to now is 37.3 secs Computing kpt #: 478 total cpu time spent up to now is 37.3 secs Computing kpt #: 479 total cpu time spent up to now is 37.4 secs Computing kpt #: 480 total cpu time spent up to now is 37.4 secs Computing kpt #: 481 total cpu time spent up to now is 37.5 secs ethr = 7.14E-08, avg # of iterations = 13.6 total cpu time spent up to now is 37.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2342 0.2342 1.0401 1.0401 1.6012 1.6012 1.6012 1.6012 6.2458 6.2458 37.0352 37.0352 37.0352 37.0352 37.0352 37.0352 38.0847 38.0847 39.8324 39.8324 k = 0.0049-0.0035 0.0060 ( 555 PWs) bands (ev): 0.2343 0.2343 0.2343 0.2343 1.0403 1.0403 1.6011 1.6011 1.6013 1.6013 6.2475 6.2475 37.0225 37.0225 37.0326 37.0326 37.0329 37.0329 38.0693 38.0693 39.8049 39.8049 k = 0.0098-0.0069 0.0120 ( 555 PWs) bands (ev): 0.2346 0.2346 0.2347 0.2347 1.0408 1.0408 1.6005 1.6005 1.6016 1.6016 6.2526 6.2526 36.9848 36.9848 37.0242 37.0242 37.0255 37.0255 38.0247 38.0247 39.7263 39.7263 k = 0.0147-0.0104 0.0180 ( 555 PWs) bands (ev): 0.2352 0.2352 0.2354 0.2354 1.0416 1.0416 1.5996 1.5996 1.6021 1.6021 6.2611 6.2611 36.9237 36.9237 37.0082 37.0082 37.0125 37.0125 37.9551 37.9551 39.6064 39.6064 k = 0.0196-0.0139 0.0240 ( 555 PWs) bands (ev): 0.2360 0.2360 0.2364 0.2364 1.0428 1.0428 1.5983 1.5983 1.6027 1.6027 6.2730 6.2730 36.8411 36.8411 36.9814 36.9814 36.9927 36.9927 37.8670 37.8670 39.4565 39.4565 k = 0.0245-0.0173 0.0300 ( 555 PWs) bands (ev): 0.2370 0.2370 0.2376 0.2376 1.0443 1.0443 1.5966 1.5966 1.6035 1.6035 6.2883 6.2883 36.7398 36.7398 36.9387 36.9387 36.9646 36.9646 37.7688 37.7688 39.2870 39.2870 k = 0.0294-0.0208 0.0360 ( 555 PWs) bands (ev): 0.2382 0.2382 0.2391 0.2391 1.0462 1.0462 1.5946 1.5946 1.6044 1.6044 6.3071 6.3071 36.6223 36.6223 36.8739 36.8739 36.9260 36.9260 37.6693 37.6693 39.1065 39.1065 k = 0.0343-0.0243 0.0420 ( 563 PWs) bands (ev): 0.2397 0.2397 0.2408 0.2408 1.0484 1.0484 1.5922 1.5922 1.6055 1.6055 6.3293 6.3293 36.4913 36.4913 36.7810 36.7810 36.8745 36.8745 37.5755 37.5755 38.9228 38.9228 k = 0.0392-0.0277 0.0480 ( 563 PWs) bands (ev): 0.2413 0.2413 0.2429 0.2429 1.0510 1.0510 1.5895 1.5895 1.6067 1.6067 6.3550 6.3550 36.3493 36.3493 36.6575 36.6575 36.8076 36.8076 37.4891 37.4891 38.7436 38.7436 k = 0.0441-0.0312 0.0540 ( 571 PWs) bands (ev): 0.2432 0.2432 0.2451 0.2451 1.0539 1.0539 1.5864 1.5864 1.6080 1.6080 6.3841 6.3841 36.1982 36.1982 36.5056 36.5056 36.7230 36.7230 37.4047 37.4047 38.5776 38.5776 k = 0.0490-0.0347 0.0600 ( 571 PWs) bands (ev): 0.2453 0.2453 0.2476 0.2476 1.0571 1.0571 1.5830 1.5830 1.6093 1.6093 6.4166 6.4166 36.0401 36.0401 36.3305 36.3305 36.6190 36.6190 37.3115 37.3115 38.4343 38.4343 k = 0.0539-0.0381 0.0660 ( 571 PWs) bands (ev): 0.2476 0.2476 0.2504 0.2504 1.0607 1.0607 1.5792 1.5792 1.6108 1.6108 6.4527 6.4527 35.8764 35.8764 36.1377 36.1377 36.4951 36.4951 37.1984 37.1984 38.3226 38.3226 k = 0.0588-0.0416 0.0720 ( 567 PWs) bands (ev): 0.2502 0.2502 0.2534 0.2534 1.0646 1.0646 1.5752 1.5752 1.6122 1.6122 6.4923 6.4923 35.7085 35.7085 35.9320 35.9320 36.3518 36.3518 37.0585 37.0585 38.2472 38.2472 k = 0.0637-0.0451 0.0780 ( 567 PWs) bands (ev): 0.2529 0.2529 0.2566 0.2566 1.0689 1.0689 1.5708 1.5708 1.6137 1.6137 6.5354 6.5354 35.5374 35.5374 35.7167 35.7167 36.1908 36.1908 36.8918 36.8918 38.2066 38.2066 k = 0.0686-0.0485 0.0841 ( 567 PWs) bands (ev): 0.2559 0.2559 0.2600 0.2600 1.0736 1.0736 1.5661 1.5661 1.6151 1.6151 6.5820 6.5820 35.3642 35.3642 35.4945 35.4945 36.0144 36.0144 36.7029 36.7029 38.1953 38.1953 k = 0.0735-0.0520 0.0901 ( 567 PWs) bands (ev): 0.2591 0.2591 0.2636 0.2636 1.0786 1.0786 1.5612 1.5612 1.6165 1.6165 6.6322 6.6322 35.1894 35.1894 35.2671 35.2671 35.8248 35.8248 36.4977 36.4977 38.2068 38.2068 k = 0.0784-0.0555 0.0961 ( 567 PWs) bands (ev): 0.2625 0.2625 0.2674 0.2674 1.0839 1.0839 1.5560 1.5560 1.6179 1.6179 6.6859 6.6859 35.0139 35.0139 35.0359 35.0359 35.6245 35.6245 36.2814 36.2814 38.2358 38.2358 k = 0.0833-0.0589 0.1021 ( 567 PWs) bands (ev): 0.2662 0.2662 0.2715 0.2715 1.0896 1.0896 1.5505 1.5505 1.6191 1.6191 6.7433 6.7433 34.8020 34.8020 34.8381 34.8381 35.4157 35.4157 36.0577 36.0577 38.2785 38.2785 k = 0.0882-0.0624 0.1081 ( 567 PWs) bands (ev): 0.2700 0.2700 0.2757 0.2757 1.0957 1.0957 1.5448 1.5448 1.6202 1.6202 6.8042 6.8042 34.5661 34.5661 34.6624 34.6624 35.2000 35.2000 35.8293 35.8293 38.3321 38.3321 k = 0.0931-0.0659 0.1141 ( 567 PWs) bands (ev): 0.2741 0.2741 0.2800 0.2800 1.1021 1.1021 1.5388 1.5388 1.6212 1.6212 6.8687 6.8687 34.3289 34.3289 34.4872 34.4872 34.9791 34.9791 35.5980 35.5980 38.3948 38.3948 k = 0.0980-0.0693 0.1201 ( 567 PWs) bands (ev): 0.2783 0.2783 0.2845 0.2845 1.1089 1.1089 1.5327 1.5327 1.6219 1.6219 6.9369 6.9369 34.0908 34.0908 34.3127 34.3127 34.7541 34.7541 35.3653 35.3653 38.4653 38.4653 k = 0.1029-0.0728 0.1261 ( 567 PWs) bands (ev): 0.2828 0.2828 0.2892 0.2892 1.1160 1.1160 1.5263 1.5263 1.6225 1.6225 7.0088 7.0088 33.8522 33.8522 34.1393 34.1393 34.5260 34.5260 35.1321 35.1321 38.5427 38.5427 k = 0.1078-0.0763 0.1321 ( 567 PWs) bands (ev): 0.2875 0.2875 0.2939 0.2939 1.1235 1.1235 1.5199 1.5199 1.6228 1.6228 7.0842 7.0842 33.6136 33.6136 33.9670 33.9670 34.2958 34.2958 34.8991 34.8991 38.6264 38.6264 k = 0.1127-0.0797 0.1381 ( 571 PWs) bands (ev): 0.2923 0.2923 0.2988 0.2988 1.1313 1.1313 1.5132 1.5132 1.6228 1.6228 7.1634 7.1634 33.3750 33.3750 33.7959 33.7959 34.0643 34.0643 34.6670 34.6670 38.7158 38.7158 k = 0.1176-0.0832 0.1441 ( 571 PWs) bands (ev): 0.2974 0.2974 0.3038 0.3038 1.1395 1.1395 1.5065 1.5065 1.6226 1.6226 7.2462 7.2462 33.1368 33.1368 33.6258 33.6258 33.8323 33.8323 34.4363 34.4363 38.8106 38.8106 k = 0.1225-0.0867 0.1501 ( 571 PWs) bands (ev): 0.3027 0.3027 0.3088 0.3088 1.1480 1.1480 1.4997 1.4997 1.6220 1.6220 7.3328 7.3328 32.8991 32.8991 33.4559 33.4559 33.6012 33.6012 34.2073 34.2073 38.9106 38.9106 k = 0.1275-0.0901 0.1561 ( 571 PWs) bands (ev): 0.3081 0.3081 0.3139 0.3139 1.1569 1.1569 1.4928 1.4928 1.6212 1.6212 7.4230 7.4230 32.6622 32.6622 33.2823 33.2823 33.3753 33.3753 33.9803 33.9803 39.0154 39.0154 k = 0.1324-0.0936 0.1621 ( 571 PWs) bands (ev): 0.3138 0.3138 0.3190 0.3190 1.1661 1.1661 1.4859 1.4859 1.6199 1.6199 7.5169 7.5169 32.4261 32.4261 33.0910 33.0910 33.1693 33.1693 33.7558 33.7558 39.1249 39.1249 k = 0.1373-0.0971 0.1681 ( 567 PWs) bands (ev): 0.3196 0.3196 0.3242 0.3242 1.1756 1.1756 1.4790 1.4790 1.6184 1.6184 7.6145 7.6145 32.1910 32.1910 32.8725 32.8725 32.9927 32.9927 33.5338 33.5338 39.2389 39.2389 k = 0.1422-0.1005 0.1741 ( 567 PWs) bands (ev): 0.3255 0.3255 0.3293 0.3293 1.1854 1.1854 1.4722 1.4722 1.6164 1.6164 7.7159 7.7159 31.9569 31.9569 32.6437 32.6437 32.8292 32.8292 33.3146 33.3146 39.3573 39.3573 k = 0.1471-0.1040 0.1801 ( 567 PWs) bands (ev): 0.3317 0.3317 0.3344 0.3344 1.1955 1.1955 1.4654 1.4654 1.6141 1.6141 7.8209 7.8209 31.7240 31.7240 32.4124 32.4124 32.6709 32.6709 33.0983 33.0983 39.4800 39.4800 k = 0.1520-0.1075 0.1861 ( 567 PWs) bands (ev): 0.3380 0.3380 0.3394 0.3394 1.2059 1.2059 1.4588 1.4588 1.6113 1.6113 7.9297 7.9297 31.4924 31.4924 32.1809 32.1809 32.5160 32.5160 32.8853 32.8853 39.6069 39.6069 k = 0.1569-0.1109 0.1921 ( 567 PWs) bands (ev): 0.3444 0.3444 0.3444 0.3444 1.2166 1.2166 1.4524 1.4524 1.6082 1.6082 8.0421 8.0421 31.2620 31.2620 31.9498 31.9498 32.3640 32.3640 32.6756 32.6756 39.7378 39.7378 k = 0.1618-0.1144 0.1981 ( 563 PWs) bands (ev): 0.3493 0.3493 0.3509 0.3509 1.2275 1.2275 1.4462 1.4462 1.6047 1.6047 8.1583 8.1583 31.0330 31.0330 31.7196 31.7196 32.2147 32.2147 32.4693 32.4693 39.8727 39.8727 k = 0.1667-0.1179 0.2041 ( 555 PWs) bands (ev): 0.3540 0.3540 0.3576 0.3576 1.2386 1.2386 1.4404 1.4404 1.6007 1.6007 8.2782 8.2782 30.8055 30.8055 31.4905 31.4905 32.0680 32.0680 32.2665 32.2665 40.0115 40.0115 k = 0.1716-0.1213 0.2101 ( 555 PWs) bands (ev): 0.3586 0.3586 0.3644 0.3644 1.2498 1.2498 1.4349 1.4349 1.5964 1.5964 8.4017 8.4017 30.5795 30.5795 31.2625 31.2625 31.9238 31.9238 32.0675 32.0675 40.1541 40.1541 k = 0.1765-0.1248 0.2161 ( 555 PWs) bands (ev): 0.3630 0.3630 0.3712 0.3712 1.2610 1.2610 1.4299 1.4299 1.5917 1.5917 8.5289 8.5289 30.3549 30.3549 31.0358 31.0358 31.7822 31.7822 31.8722 31.8722 40.3004 40.3004 k = 0.1814-0.1282 0.2221 ( 555 PWs) bands (ev): 0.3671 0.3671 0.3781 0.3781 1.2723 1.2723 1.4256 1.4256 1.5866 1.5866 8.6598 8.6598 30.1320 30.1320 30.8106 30.8106 31.6431 31.6431 31.6808 31.6808 40.4505 40.4505 k = 0.1863-0.1317 0.2281 ( 555 PWs) bands (ev): 0.3711 0.3711 0.3851 0.3851 1.2834 1.2834 1.4220 1.4220 1.5812 1.5812 8.7944 8.7944 29.9108 29.9108 30.5870 30.5870 31.4932 31.4932 31.5066 31.5066 40.6041 40.6041 k = 0.1912-0.1352 0.2341 ( 555 PWs) bands (ev): 0.3747 0.3747 0.3920 0.3920 1.2943 1.2943 1.4193 1.4193 1.5754 1.5754 8.9325 8.9325 29.6912 29.6912 30.3650 30.3650 31.3097 31.3097 31.3726 31.3726 40.7612 40.7612 k = 0.1961-0.1386 0.2401 ( 555 PWs) bands (ev): 0.3781 0.3781 0.3989 0.3989 1.3046 1.3046 1.4179 1.4179 1.5694 1.5694 9.0743 9.0743 29.4734 29.4734 30.1447 30.1447 31.1302 31.1302 31.2412 31.2412 40.9218 40.9218 k = 0.2010-0.1421 0.2461 ( 563 PWs) bands (ev): 0.3811 0.3811 0.4058 0.4058 1.3141 1.3141 1.4179 1.4179 1.5630 1.5630 9.2197 9.2197 29.2574 29.2574 29.9262 29.9262 30.9547 30.9547 31.1123 31.1123 41.0858 41.0858 k = 0.2059-0.1456 0.2522 ( 571 PWs) bands (ev): 0.3837 0.3837 0.4127 0.4127 1.3225 1.3225 1.4198 1.4198 1.5564 1.5564 9.3687 9.3687 29.0433 29.0433 29.7096 29.7096 30.7834 30.7834 30.9859 30.9859 41.2531 41.2531 k = 0.2108-0.1490 0.2582 ( 571 PWs) bands (ev): 0.3860 0.3860 0.4194 0.4194 1.3295 1.3295 1.4238 1.4238 1.5495 1.5495 9.5213 9.5213 28.8311 28.8311 29.4949 29.4949 30.6161 30.6161 30.8621 30.8621 41.4236 41.4236 k = 0.2157-0.1525 0.2642 ( 570 PWs) bands (ev): 0.3878 0.3878 0.4259 0.4259 1.3352 1.3352 1.4300 1.4300 1.5425 1.5425 9.6774 9.6774 28.6209 28.6209 29.2823 29.2823 30.4531 30.4531 30.7407 30.7407 41.5973 41.5973 k = 0.2206-0.1560 0.2702 ( 570 PWs) bands (ev): 0.3892 0.3892 0.4323 0.4323 1.3395 1.3395 1.4384 1.4384 1.5354 1.5354 9.8370 9.8370 28.4127 28.4127 29.0718 29.0718 30.2942 30.2942 30.6220 30.6220 41.7740 41.7740 k = 0.2255-0.1594 0.2762 ( 570 PWs) bands (ev): 0.3902 0.3902 0.4385 0.4385 1.3428 1.3428 1.4485 1.4485 1.5282 1.5282 10.0001 10.0001 28.2067 28.2067 28.8634 28.8634 30.1394 30.1394 30.5057 30.5057 41.9536 41.9536 k = 0.2304-0.1629 0.2822 ( 570 PWs) bands (ev): 0.3907 0.3907 0.4443 0.4443 1.3454 1.3454 1.4602 1.4602 1.5209 1.5209 10.1667 10.1667 28.0027 28.0027 28.6572 28.6572 29.9889 29.9889 30.3919 30.3919 42.1359 42.1359 k = 0.2353-0.1664 0.2882 ( 570 PWs) bands (ev): 0.3906 0.3906 0.4499 0.4499 1.3476 1.3476 1.4731 1.4731 1.5137 1.5137 10.3367 10.3367 27.8010 27.8010 28.4533 28.4533 29.8424 29.8424 30.2806 30.2806 42.3207 42.3207 k = 0.2402-0.1698 0.2942 ( 570 PWs) bands (ev): 0.3901 0.3901 0.4550 0.4550 1.3498 1.3498 1.4869 1.4869 1.5066 1.5066 10.5102 10.5102 27.6015 27.6015 28.2517 28.2517 29.7001 29.7001 30.1718 30.1718 42.5076 42.5076 k = 0.2451-0.1733 0.3002 ( 570 PWs) bands (ev): 0.3890 0.3890 0.4598 0.4598 1.3521 1.3521 1.4996 1.4996 1.5015 1.5015 10.6870 10.6870 27.4043 27.4043 28.0525 28.0525 29.5619 29.5619 30.0655 30.0655 42.6956 42.6956 k = 0.2500-0.1768 0.3062 ( 570 PWs) bands (ev): 0.3874 0.3874 0.4640 0.4640 1.3546 1.3546 1.4929 1.4929 1.5166 1.5166 10.8672 10.8672 27.2095 27.2095 27.8557 27.8557 29.4278 29.4278 29.9616 29.9616 42.8826 42.8826 k = 0.2549-0.1802 0.3122 ( 570 PWs) bands (ev): 0.3853 0.3853 0.4677 0.4677 1.3575 1.3575 1.4864 1.4864 1.5322 1.5322 11.0508 11.0508 27.0172 27.0172 27.6614 27.6614 29.2978 29.2978 29.8601 29.8601 43.0615 43.0615 k = 0.2598-0.1837 0.3182 ( 562 PWs) bands (ev): 0.3826 0.3826 0.4708 0.4708 1.3608 1.3608 1.4803 1.4803 1.5482 1.5482 11.2376 11.2376 26.8273 26.8273 27.4697 27.4697 29.1718 29.1718 29.7611 29.7611 43.1892 43.1892 k = 0.2647-0.1872 0.3242 ( 562 PWs) bands (ev): 0.3795 0.3795 0.4733 0.4733 1.3646 1.3646 1.4746 1.4746 1.5646 1.5646 11.4277 11.4277 26.6400 26.6400 27.2805 27.2805 29.0497 29.0497 29.6645 29.6645 43.0418 43.0418 k = 0.2696-0.1906 0.3302 ( 562 PWs) bands (ev): 0.3758 0.3758 0.4751 0.4751 1.3689 1.3689 1.4694 1.4694 1.5812 1.5812 11.6210 11.6210 26.4553 26.4553 27.0941 27.0941 28.9316 28.9316 29.5702 29.5702 42.6741 42.6741 k = 0.2745-0.1941 0.3362 ( 562 PWs) bands (ev): 0.3716 0.3716 0.4761 0.4761 1.3737 1.3737 1.4648 1.4648 1.5980 1.5980 11.8176 11.8176 26.2732 26.2732 26.9103 26.9103 28.8174 28.8174 29.4784 29.4784 42.2711 42.2711 k = 0.2794-0.1976 0.3422 ( 562 PWs) bands (ev): 0.3670 0.3670 0.4763 0.4763 1.3790 1.3790 1.4608 1.4608 1.6150 1.6150 12.0173 12.0173 26.0939 26.0939 26.7294 26.7294 28.7071 28.7071 29.3888 29.3888 41.8610 41.8610 k = 0.2843-0.2010 0.3482 ( 562 PWs) bands (ev): 0.3618 0.3618 0.4757 0.4757 1.3848 1.3848 1.4574 1.4574 1.6322 1.6322 12.2201 12.2201 25.9174 25.9174 26.5512 26.5512 28.6005 28.6005 29.3016 29.3016 41.4492 41.4492 k = 0.2892-0.2045 0.3542 ( 562 PWs) bands (ev): 0.3563 0.3563 0.4742 0.4742 1.3912 1.3912 1.4548 1.4548 1.6495 1.6495 12.4260 12.4260 25.7437 25.7437 26.3760 26.3760 28.4976 28.4976 29.2167 29.2167 41.0376 41.0376 k = 0.2941-0.2080 0.3602 ( 562 PWs) bands (ev): 0.3503 0.3503 0.4718 0.4718 1.3980 1.3980 1.4529 1.4529 1.6669 1.6669 12.6350 12.6350 25.5729 25.5729 26.2037 26.2037 28.3985 28.3985 29.1341 29.1341 40.6268 40.6268 k = 0.2990-0.2114 0.3662 ( 562 PWs) bands (ev): 0.3440 0.3440 0.4685 0.4685 1.4053 1.4053 1.4518 1.4518 1.6844 1.6844 12.8469 12.8469 25.4051 25.4051 26.0344 26.0344 28.3029 28.3029 29.0538 29.0538 40.2172 40.2172 k = 0.3039-0.2149 0.3722 ( 562 PWs) bands (ev): 0.3373 0.3373 0.4643 0.4643 1.4130 1.4130 1.4516 1.4516 1.7019 1.7019 13.0618 13.0618 25.2403 25.2403 25.8682 25.8682 28.2109 28.2109 28.9758 28.9758 39.8091 39.8091 k = 0.3088-0.2184 0.3782 ( 562 PWs) bands (ev): 0.3302 0.3302 0.4592 0.4592 1.4211 1.4211 1.4522 1.4522 1.7195 1.7195 13.2797 13.2797 25.0786 25.0786 25.7050 25.7050 28.1224 28.1224 28.9000 28.9000 39.4027 39.4027 k = 0.3137-0.2218 0.3842 ( 554 PWs) bands (ev): 0.3229 0.3229 0.4532 0.4532 1.4295 1.4295 1.4536 1.4536 1.7371 1.7371 13.5004 13.5004 24.9201 24.9201 25.5451 25.5451 28.0372 28.0372 28.8264 28.8264 38.9981 38.9981 k = 0.3186-0.2253 0.3902 ( 554 PWs) bands (ev): 0.3153 0.3153 0.4462 0.4462 1.4383 1.4383 1.4559 1.4559 1.7547 1.7547 13.7239 13.7239 24.7648 24.7648 25.3884 25.3884 27.9554 27.9554 28.7550 28.7550 38.5954 38.5954 k = 0.3235-0.2288 0.3962 ( 554 PWs) bands (ev): 0.3075 0.3075 0.4385 0.4385 1.4474 1.4474 1.4590 1.4590 1.7722 1.7722 13.9502 13.9502 24.6127 24.6127 25.2349 25.2349 27.8769 27.8769 28.6858 28.6858 38.1947 38.1947 k = 0.3284-0.2322 0.4022 ( 558 PWs) bands (ev): 0.2995 0.2995 0.4299 0.4299 1.4568 1.4568 1.4628 1.4628 1.7897 1.7897 14.1792 14.1792 24.4640 24.4640 25.0848 25.0848 27.8015 27.8015 28.6187 28.6187 37.7959 37.7959 k = 0.3333-0.2357 0.4082 ( 558 PWs) bands (ev): 0.2914 0.2914 0.4206 0.4206 1.4663 1.4663 1.4675 1.4675 1.8071 1.8071 14.4108 14.4108 24.3187 24.3187 24.9381 24.9381 27.7293 27.7293 28.5538 28.5538 37.3994 37.3994 k = 0.3382-0.2392 0.4143 ( 558 PWs) bands (ev): 0.2831 0.2831 0.4106 0.4106 1.4728 1.4728 1.4761 1.4761 1.8243 1.8243 14.6450 14.6450 24.1768 24.1768 24.7949 24.7949 27.6600 27.6600 28.4910 28.4910 37.0052 37.0052 k = 0.3431-0.2426 0.4203 ( 558 PWs) bands (ev): 0.2747 0.2747 0.3999 0.3999 1.4789 1.4789 1.4859 1.4859 1.8415 1.8415 14.8818 14.8818 24.0385 24.0385 24.6552 24.6552 27.5938 27.5938 28.4303 28.4303 36.6133 36.6133 k = 0.3480-0.2461 0.4263 ( 554 PWs) bands (ev): 0.2663 0.2663 0.3886 0.3886 1.4855 1.4855 1.4959 1.4959 1.8585 1.8585 15.1210 15.1210 23.9037 23.9037 24.5190 24.5190 27.5304 27.5304 28.3717 28.3717 36.2239 36.2239 k = 0.3529-0.2496 0.4323 ( 554 PWs) bands (ev): 0.2578 0.2578 0.3769 0.3769 1.4928 1.4928 1.5060 1.5060 1.8753 1.8753 15.3626 15.3626 23.7726 23.7726 24.3865 24.3865 27.4697 27.4697 28.3152 28.3152 35.8370 35.8370 k = 0.3578-0.2530 0.4383 ( 546 PWs) bands (ev): 0.2493 0.2493 0.3646 0.3646 1.5005 1.5005 1.5161 1.5161 1.8920 1.8920 15.6064 15.6064 23.6452 23.6452 24.2576 24.2576 27.4118 27.4118 28.2607 28.2607 35.4526 35.4526 k = 0.3627-0.2565 0.4443 ( 546 PWs) bands (ev): 0.2409 0.2409 0.3521 0.3521 1.5087 1.5087 1.5261 1.5261 1.9084 1.9084 15.8525 15.8525 23.5216 23.5216 24.1325 24.1325 27.3564 27.3564 28.2083 28.2083 35.0710 35.0710 k = 0.3676-0.2600 0.4503 ( 546 PWs) bands (ev): 0.2325 0.2325 0.3392 0.3392 1.5173 1.5173 1.5362 1.5362 1.9245 1.9245 16.1006 16.1006 23.4019 23.4019 24.0112 24.0112 27.3036 27.3036 28.1578 28.1578 34.6922 34.6922 k = 0.3725-0.2634 0.4563 ( 546 PWs) bands (ev): 0.2242 0.2242 0.3261 0.3261 1.5262 1.5262 1.5461 1.5461 1.9404 1.9404 16.3507 16.3507 23.2860 23.2860 23.8937 23.8937 27.2532 27.2532 28.1094 28.1094 34.3163 34.3163 k = 0.3775-0.2669 0.4623 ( 546 PWs) bands (ev): 0.2160 0.2160 0.3129 0.3129 1.5353 1.5353 1.5559 1.5559 1.9560 1.9560 16.6026 16.6026 23.1741 23.1741 23.7801 23.7801 27.2051 27.2051 28.0629 28.0629 33.9435 33.9435 k = 0.3824-0.2704 0.4683 ( 546 PWs) bands (ev): 0.2079 0.2079 0.2996 0.2996 1.5447 1.5447 1.5656 1.5656 1.9712 1.9712 16.8562 16.8562 23.0663 23.0663 23.6705 23.6705 27.1592 27.1592 28.0184 28.0184 33.5740 33.5740 k = 0.3873-0.2738 0.4743 ( 546 PWs) bands (ev): 0.2000 0.2000 0.2862 0.2862 1.5542 1.5542 1.5752 1.5752 1.9861 1.9861 17.1114 17.1114 22.9626 22.9626 23.5649 23.5649 27.1154 27.1154 27.9758 27.9758 33.2078 33.2078 k = 0.3922-0.2773 0.4803 ( 546 PWs) bands (ev): 0.1922 0.1922 0.2730 0.2730 1.5637 1.5637 1.5845 1.5845 2.0006 2.0006 17.3679 17.3679 22.8631 22.8631 23.4633 23.4633 27.0736 27.0736 27.9352 27.9352 32.8453 32.8453 k = 0.3971-0.2808 0.4863 ( 546 PWs) bands (ev): 0.1847 0.1847 0.2598 0.2598 1.5733 1.5733 1.5936 1.5936 2.0147 2.0147 17.6255 17.6255 22.7680 22.7680 23.3658 23.3658 27.0336 27.0336 27.8965 27.8965 32.4867 32.4867 k = 0.4020-0.2842 0.4923 ( 546 PWs) bands (ev): 0.1773 0.1773 0.2469 0.2469 1.5829 1.5829 1.6025 1.6025 2.0284 2.0284 17.8840 17.8840 22.6772 22.6772 23.2726 23.2726 26.9954 26.9954 27.8597 27.8597 32.1322 32.1322 k = 0.4069-0.2877 0.4983 ( 546 PWs) bands (ev): 0.1702 0.1702 0.2342 0.2342 1.5923 1.5923 1.6110 1.6110 2.0416 2.0416 18.1430 18.1430 22.5909 22.5909 23.1835 23.1835 26.9588 26.9588 27.8247 27.8247 31.7821 31.7821 k = 0.4118-0.2912 0.5043 ( 546 PWs) bands (ev): 0.1634 0.1634 0.2218 0.2218 1.6016 1.6016 1.6193 1.6193 2.0543 2.0543 18.4023 18.4023 22.5092 22.5092 23.0987 23.0987 26.9235 26.9235 27.7917 27.7917 31.4370 31.4370 k = 0.4167-0.2946 0.5103 ( 542 PWs) bands (ev): 0.1568 0.1568 0.2098 0.2098 1.6107 1.6107 1.6272 1.6272 2.0665 2.0665 18.6613 18.6613 22.4323 22.4323 23.0181 23.0181 26.8895 26.8895 27.7605 27.7605 31.0971 31.0971 k = 0.4216-0.2981 0.5163 ( 550 PWs) bands (ev): 0.1506 0.1506 0.1982 0.1982 1.6195 1.6195 1.6348 1.6348 2.0782 2.0782 18.9196 18.9196 22.3603 22.3603 22.9419 22.9419 26.8564 26.8564 27.7309 27.7309 30.7631 30.7631 k = 0.4265-0.3016 0.5223 ( 550 PWs) bands (ev): 0.1446 0.1446 0.1870 0.1870 1.6281 1.6281 1.6420 1.6420 2.0893 2.0893 19.1764 19.1764 22.2936 22.2936 22.8702 22.8702 26.8240 26.8240 27.7034 27.7034 30.4358 30.4358 k = 0.4314-0.3050 0.5283 ( 550 PWs) bands (ev): 0.1390 0.1390 0.1764 0.1764 1.6363 1.6363 1.6489 1.6489 2.0998 2.0998 19.4310 19.4310 22.2322 22.2322 22.8028 22.8028 26.7920 26.7920 27.6778 27.6778 30.1159 30.1159 k = 0.4363-0.3085 0.5343 ( 550 PWs) bands (ev): 0.1336 0.1336 0.1663 0.1663 1.6441 1.6441 1.6553 1.6553 2.1097 2.1097 19.6823 19.6823 22.1768 22.1768 22.7399 22.7399 26.7599 26.7599 27.6539 27.6539 29.8045 29.8045 k = 0.4412-0.3120 0.5403 ( 550 PWs) bands (ev): 0.1287 0.1287 0.1568 0.1568 1.6515 1.6515 1.6613 1.6613 2.1190 2.1190 19.9290 19.9290 22.1277 22.1277 22.6815 22.6815 26.7272 26.7272 27.6319 27.6319 29.5030 29.5030 k = 0.4461-0.3154 0.5463 ( 550 PWs) bands (ev): 0.1241 0.1241 0.1479 0.1479 1.6584 1.6584 1.6669 1.6669 2.1276 2.1276 20.1692 20.1692 22.0858 22.0858 22.6277 22.6277 26.6932 26.6932 27.6116 27.6116 29.2130 29.2130 k = 0.4510-0.3189 0.5523 ( 550 PWs) bands (ev): 0.1198 0.1198 0.1397 0.1397 1.6649 1.6649 1.6721 1.6721 2.1355 2.1355 20.4005 20.4005 22.0523 22.0523 22.5784 22.5784 26.6571 26.6571 27.5931 27.5931 28.9365 28.9365 k = 0.4559-0.3224 0.5583 ( 550 PWs) bands (ev): 0.1160 0.1160 0.1322 0.1322 1.6708 1.6708 1.6768 1.6768 2.1428 2.1428 20.6196 20.6196 22.0288 22.0288 22.5337 22.5337 26.6180 26.6180 27.5764 27.5764 28.6762 28.6762 k = 0.4608-0.3258 0.5643 ( 558 PWs) bands (ev): 0.1125 0.1125 0.1254 0.1254 1.6762 1.6762 1.6810 1.6810 2.1493 2.1493 20.8220 20.8220 22.0180 22.0180 22.4936 22.4936 26.5748 26.5748 27.5613 27.5613 28.4350 28.4350 k = 0.4657-0.3293 0.5703 ( 558 PWs) bands (ev): 0.1094 0.1094 0.1193 0.1193 1.6810 1.6810 1.6848 1.6848 2.1551 2.1551 21.0016 21.0016 22.0231 22.0231 22.4583 22.4583 26.5267 26.5267 27.5481 27.5481 28.2165 28.2165 k = 0.4706-0.3328 0.5764 ( 558 PWs) bands (ev): 0.1067 0.1067 0.1140 0.1140 1.6852 1.6852 1.6880 1.6880 2.1602 2.1602 21.1517 21.1517 22.0480 22.0480 22.4275 22.4275 26.4731 26.4731 27.5367 27.5367 28.0241 28.0241 k = 0.4755-0.3362 0.5824 ( 562 PWs) bands (ev): 0.1044 0.1044 0.1095 0.1095 1.6889 1.6889 1.6908 1.6908 2.1645 2.1645 21.2671 21.2671 22.0939 22.0939 22.4015 22.4015 26.4149 26.4149 27.5271 27.5271 27.8611 27.8611 k = 0.4804-0.3397 0.5884 ( 574 PWs) bands (ev): 0.1025 0.1025 0.1058 0.1058 1.6918 1.6918 1.6931 1.6931 2.1680 2.1680 21.3475 21.3475 22.1565 22.1565 22.3802 22.3802 26.3546 26.3546 27.5192 27.5192 27.7293 27.7293 k = 0.4853-0.3432 0.5944 ( 586 PWs) bands (ev): 0.1011 0.1011 0.1029 0.1029 1.6941 1.6941 1.6949 1.6949 2.1708 2.1708 21.3984 21.3984 22.2250 22.2250 22.3636 22.3636 26.2970 26.2970 27.5130 27.5130 27.6287 27.6287 k = 0.4902-0.3466 0.6004 ( 586 PWs) bands (ev): 0.1000 0.1000 0.1008 0.1008 1.6958 1.6958 1.6961 1.6961 2.1728 2.1728 21.4281 21.4281 22.2859 22.2859 22.3517 22.3517 26.2487 26.2487 27.5087 27.5087 27.5592 27.5592 k = 0.4951-0.3501 0.6064 ( 586 PWs) bands (ev): 0.0994 0.0994 0.0996 0.0996 1.6968 1.6968 1.6969 1.6969 2.1739 2.1739 21.4433 21.4433 22.3275 22.3275 22.3446 22.3446 26.2163 26.2163 27.5061 27.5061 27.5186 27.5186 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 0.0992 0.0992 0.0992 0.0992 1.6972 1.6972 1.6972 1.6972 2.1743 2.1743 21.4479 21.4479 22.3422 22.3422 22.3422 22.3422 26.2049 26.2049 27.5052 27.5052 27.5052 27.5052 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 0.0992 0.0992 0.0992 0.0992 1.6972 1.6972 1.6972 1.6972 2.1743 2.1743 21.4479 21.4479 22.3422 22.3422 22.3422 22.3422 26.2049 26.2049 27.5052 27.5052 27.5052 27.5052 k = 0.4931-0.3486 0.6124 ( 586 PWs) bands (ev): 0.0994 0.0994 0.0996 0.0996 1.6966 1.6966 1.6971 1.6971 2.1739 2.1739 21.4433 21.4433 22.3315 22.3315 22.3404 22.3404 26.2164 26.2164 27.5092 27.5092 27.5154 27.5154 k = 0.4861-0.3437 0.6124 ( 586 PWs) bands (ev): 0.1002 0.1002 0.1007 0.1007 1.6949 1.6949 1.6971 1.6971 2.1728 2.1728 21.4294 21.4294 22.2998 22.2998 22.3355 22.3355 26.2505 26.2505 27.5214 27.5214 27.5459 27.5459 k = 0.4792-0.3388 0.6124 ( 584 PWs) bands (ev): 0.1015 0.1015 0.1025 0.1025 1.6920 1.6920 1.6970 1.6970 2.1708 2.1708 21.4055 21.4055 22.2483 22.2483 22.3287 22.3287 26.3049 26.3049 27.5427 27.5427 27.5962 27.5962 k = 0.4722-0.3339 0.6124 ( 570 PWs) bands (ev): 0.1033 0.1033 0.1051 0.1051 1.6881 1.6881 1.6968 1.6968 2.1680 2.1680 21.3706 21.3706 22.1788 22.1788 22.3220 22.3220 26.3765 26.3765 27.5742 27.5742 27.6656 27.6656 k = 0.4653-0.3290 0.6124 ( 570 PWs) bands (ev): 0.1055 0.1055 0.1085 0.1085 1.6830 1.6830 1.6966 1.6966 2.1646 2.1646 21.3238 21.3238 22.0936 22.0936 22.3175 22.3175 26.4610 26.4610 27.6177 27.6177 27.7525 27.7525 k = 0.4583-0.3241 0.6124 ( 562 PWs) bands (ev): 0.1083 0.1083 0.1125 0.1125 1.6768 1.6768 1.6963 1.6963 2.1604 2.1604 21.2645 21.2645 21.9948 21.9948 22.3174 22.3174 26.5537 26.5537 27.6756 27.6756 27.8563 27.8563 k = 0.4514-0.3192 0.6124 ( 554 PWs) bands (ev): 0.1115 0.1115 0.1173 0.1173 1.6695 1.6695 1.6959 1.6959 2.1555 2.1555 21.1926 21.1926 21.8845 21.8845 22.3231 22.3231 26.6493 26.6493 27.7508 27.7508 27.9753 27.9753 k = 0.4444-0.3143 0.6124 ( 554 PWs) bands (ev): 0.1152 0.1152 0.1228 0.1228 1.6611 1.6611 1.6955 1.6955 2.1500 2.1500 21.1088 21.1088 21.7648 21.7648 22.3357 22.3357 26.7429 26.7429 27.8459 27.8459 28.1081 28.1081 k = 0.4375-0.3094 0.6124 ( 550 PWs) bands (ev): 0.1193 0.1193 0.1289 0.1289 1.6517 1.6517 1.6949 1.6949 2.1438 2.1438 21.0142 21.0142 21.6372 21.6372 22.3555 22.3555 26.8306 26.8306 27.9631 27.9631 28.2538 28.2538 k = 0.4306-0.3044 0.6124 ( 550 PWs) bands (ev): 0.1239 0.1239 0.1358 0.1358 1.6413 1.6413 1.6943 1.6943 2.1372 2.1372 20.9100 20.9100 21.5032 21.5032 22.3827 22.3827 26.9098 26.9098 28.1028 28.1028 28.4110 28.4110 k = 0.4236-0.2995 0.6124 ( 550 PWs) bands (ev): 0.1288 0.1288 0.1432 0.1432 1.6298 1.6298 1.6935 1.6935 2.1300 2.1300 20.7977 20.7977 21.3641 21.3641 22.4169 22.4169 26.9801 26.9801 28.2641 28.2641 28.5789 28.5789 k = 0.4167-0.2946 0.6124 ( 550 PWs) bands (ev): 0.1342 0.1342 0.1513 0.1513 1.6174 1.6174 1.6925 1.6925 2.1224 2.1224 20.6789 20.6789 21.2208 21.2208 22.4578 22.4578 27.0422 27.0422 28.4450 28.4450 28.7565 28.7565 k = 0.4097-0.2897 0.6124 ( 550 PWs) bands (ev): 0.1399 0.1399 0.1600 0.1600 1.6041 1.6041 1.6914 1.6914 2.1145 2.1145 20.5549 20.5549 21.0742 21.0742 22.5052 22.5052 27.0975 27.0975 28.6429 28.6429 28.9430 28.9430 k = 0.4028-0.2848 0.6124 ( 550 PWs) bands (ev): 0.1459 0.1459 0.1693 0.1693 1.5899 1.5899 1.6901 1.6901 2.1062 2.1062 20.4269 20.4269 20.9251 20.9251 22.5585 22.5585 27.1476 27.1476 28.8552 28.8552 29.1379 29.1379 k = 0.3958-0.2799 0.6124 ( 550 PWs) bands (ev): 0.1522 0.1522 0.1791 0.1791 1.5749 1.5749 1.6886 1.6886 2.0977 2.0977 20.2959 20.2959 20.7740 20.7740 22.6175 22.6175 27.1939 27.1939 29.0794 29.0794 29.3409 29.3409 k = 0.3889-0.2750 0.6124 ( 554 PWs) bands (ev): 0.1588 0.1588 0.1894 0.1894 1.5590 1.5590 1.6869 1.6869 2.0891 2.0891 20.1627 20.1627 20.6216 20.6216 22.6819 22.6819 27.2377 27.2377 29.3132 29.3132 29.5517 29.5517 k = 0.3819-0.2701 0.6124 ( 554 PWs) bands (ev): 0.1657 0.1657 0.2002 0.2002 1.5425 1.5425 1.6849 1.6849 2.0804 2.0804 20.0282 20.0282 20.4684 20.4684 22.7515 22.7515 27.2798 27.2798 29.5543 29.5543 29.7707 29.7707 k = 0.3750-0.2652 0.6124 ( 554 PWs) bands (ev): 0.1727 0.1727 0.2114 0.2114 1.5253 1.5253 1.6826 1.6826 2.0717 2.0717 19.8929 19.8929 20.3147 20.3147 22.8259 22.8259 27.3211 27.3211 29.8006 29.8006 29.9985 29.9985 k = 0.3681-0.2603 0.6124 ( 554 PWs) bands (ev): 0.1799 0.1799 0.2230 0.2230 1.5075 1.5075 1.6801 1.6801 2.0631 2.0631 19.7572 19.7572 20.1611 20.1611 22.9051 22.9051 27.3620 27.3620 30.0495 30.0495 30.2360 30.2360 k = 0.3611-0.2553 0.6124 ( 554 PWs) bands (ev): 0.1873 0.1873 0.2349 0.2349 1.4891 1.4891 1.6771 1.6771 2.0546 2.0546 19.6216 19.6216 20.0080 20.0080 22.9889 22.9889 27.4031 27.4031 30.2990 30.2990 30.4844 30.4844 k = 0.3542-0.2504 0.6124 ( 556 PWs) bands (ev): 0.1947 0.1947 0.2471 0.2471 1.4704 1.4704 1.6739 1.6739 2.0464 2.0464 19.4862 19.4862 19.8557 19.8557 23.0770 23.0770 27.4445 27.4445 30.5477 30.5477 30.7440 30.7440 k = 0.3472-0.2455 0.6124 ( 556 PWs) bands (ev): 0.2021 0.2021 0.2595 0.2595 1.4512 1.4512 1.6703 1.6703 2.0385 2.0385 19.3513 19.3513 19.7046 19.7046 23.1694 23.1694 27.4866 27.4866 30.7956 30.7956 31.0141 31.0141 k = 0.3403-0.2406 0.6124 ( 546 PWs) bands (ev): 0.2096 0.2096 0.2720 0.2720 1.4318 1.4318 1.6663 1.6663 2.0309 2.0309 19.2170 19.2170 19.5551 19.5551 23.2659 23.2659 27.5298 27.5298 31.0434 31.0434 31.2932 31.2932 k = 0.3333-0.2357 0.6124 ( 546 PWs) bands (ev): 0.2170 0.2170 0.2847 0.2847 1.4123 1.4123 1.6619 1.6619 2.0239 2.0239 19.0833 19.0833 19.4077 19.4077 23.3664 23.3664 27.5739 27.5739 31.2921 31.2921 31.5797 31.5797 k = 0.3264-0.2308 0.6124 ( 546 PWs) bands (ev): 0.2243 0.2243 0.2972 0.2972 1.3927 1.3927 1.6572 1.6572 2.0173 2.0173 18.9501 18.9501 19.2628 19.2628 23.4707 23.4707 27.6191 27.6191 31.5422 31.5422 31.8726 31.8726 k = 0.3194-0.2259 0.6124 ( 546 PWs) bands (ev): 0.2315 0.2315 0.3097 0.3097 1.3731 1.3731 1.6521 1.6521 2.0112 2.0112 18.8173 18.8173 19.1208 19.1208 23.5789 23.5789 27.6657 27.6657 31.7944 31.7944 32.1708 32.1708 k = 0.3125-0.2210 0.6124 ( 546 PWs) bands (ev): 0.2384 0.2384 0.3221 0.3221 1.3538 1.3538 1.6467 1.6467 2.0057 2.0057 18.6848 18.6848 18.9822 18.9822 23.6906 23.6906 27.7136 27.7136 32.0487 32.0487 32.4737 32.4737 k = 0.3056-0.2161 0.6124 ( 546 PWs) bands (ev): 0.2452 0.2452 0.3341 0.3341 1.3347 1.3347 1.6410 1.6410 2.0008 2.0008 18.5524 18.5524 18.8474 18.8474 23.8060 23.8060 27.7629 27.7629 32.3054 32.3054 32.7807 32.7807 k = 0.2986-0.2111 0.6124 ( 546 PWs) bands (ev): 0.2516 0.2516 0.3457 0.3457 1.3162 1.3162 1.6351 1.6351 1.9965 1.9965 18.4200 18.4200 18.7166 18.7166 23.9247 23.9247 27.8138 27.8138 32.5645 32.5645 33.0913 33.0913 k = 0.2917-0.2062 0.6124 ( 552 PWs) bands (ev): 0.2576 0.2576 0.3568 0.3568 1.2982 1.2982 1.6290 1.6290 1.9928 1.9928 18.2876 18.2876 18.5902 18.5902 24.0468 24.0468 27.8662 27.8662 32.8261 32.8261 33.4052 33.4052 k = 0.2847-0.2013 0.6124 ( 552 PWs) bands (ev): 0.2633 0.2633 0.3672 0.3672 1.2809 1.2809 1.6228 1.6228 1.9897 1.9897 18.1552 18.1552 18.4683 18.4683 24.1721 24.1721 27.9202 27.9202 33.0901 33.0901 33.7221 33.7221 k = 0.2778-0.1964 0.6124 ( 552 PWs) bands (ev): 0.2685 0.2685 0.3769 0.3769 1.2646 1.2646 1.6165 1.6165 1.9872 1.9872 18.0230 18.0230 18.3509 18.3509 24.3006 24.3006 27.9758 27.9758 33.3565 33.3565 34.0414 34.0414 k = 0.2708-0.1915 0.6124 ( 552 PWs) bands (ev): 0.2733 0.2733 0.3857 0.3857 1.2493 1.2493 1.6102 1.6102 1.9852 1.9852 17.8912 17.8912 18.2379 18.2379 24.4320 24.4320 28.0331 28.0331 33.6253 33.6253 34.3629 34.3629 k = 0.2639-0.1866 0.6124 ( 552 PWs) bands (ev): 0.2775 0.2775 0.3935 0.3935 1.2352 1.2352 1.6040 1.6040 1.9839 1.9839 17.7602 17.7602 18.1291 18.1291 24.5664 24.5664 28.0920 28.0920 33.8965 33.8965 34.6862 34.6862 k = 0.2569-0.1817 0.6124 ( 552 PWs) bands (ev): 0.2811 0.2811 0.4001 0.4001 1.2225 1.2225 1.5979 1.5979 1.9830 1.9830 17.6301 17.6301 18.0245 18.0245 24.7037 24.7037 28.1526 28.1526 34.1700 34.1700 35.0107 35.0107 k = 0.2500-0.1768 0.6124 ( 552 PWs) bands (ev): 0.2840 0.2840 0.4055 0.4055 1.2112 1.2112 1.5920 1.5920 1.9826 1.9826 17.5012 17.5012 17.9238 17.9238 24.8436 24.8436 28.2149 28.2149 34.4458 34.4458 35.3360 35.3360 k = 0.2431-0.1719 0.6124 ( 552 PWs) bands (ev): 0.2864 0.2864 0.4096 0.4096 1.2016 1.2016 1.5864 1.5864 1.9827 1.9827 17.3739 17.3739 17.8269 17.8269 24.9862 24.9862 28.2788 28.2788 34.7239 34.7239 35.6614 35.6614 k = 0.2361-0.1670 0.6124 ( 552 PWs) bands (ev): 0.2880 0.2880 0.4123 0.4123 1.1935 1.1935 1.5812 1.5812 1.9833 1.9833 17.2483 17.2483 17.7336 17.7336 25.1312 25.1312 28.3445 28.3445 35.0041 35.0041 35.9862 35.9862 k = 0.2292-0.1620 0.6124 ( 552 PWs) bands (ev): 0.2889 0.2889 0.4136 0.4136 1.1873 1.1873 1.5763 1.5763 1.9842 1.9842 17.1247 17.1247 17.6438 17.6438 25.2786 25.2786 28.4118 28.4118 35.2864 35.2864 36.3092 36.3092 k = 0.2222-0.1571 0.6124 ( 556 PWs) bands (ev): 0.2890 0.2890 0.4134 0.4134 1.1828 1.1828 1.5718 1.5718 1.9856 1.9856 17.0032 17.0032 17.5575 17.5575 25.4283 25.4283 28.4807 28.4807 35.5708 35.5708 36.6293 36.6293 k = 0.2153-0.1522 0.6124 ( 556 PWs) bands (ev): 0.2884 0.2884 0.4118 0.4118 1.1800 1.1800 1.5679 1.5679 1.9872 1.9872 16.8841 16.8841 17.4744 17.4744 25.5802 25.5802 28.5513 28.5513 35.8573 35.8573 36.9446 36.9446 k = 0.2083-0.1473 0.6124 ( 556 PWs) bands (ev): 0.2870 0.2870 0.4089 0.4089 1.1789 1.1789 1.5644 1.5644 1.9892 1.9892 16.7674 16.7674 17.3946 17.3946 25.7341 25.7341 28.6234 28.6234 36.1457 36.1457 37.2527 37.2527 k = 0.2014-0.1424 0.6124 ( 554 PWs) bands (ev): 0.2848 0.2848 0.4047 0.4047 1.1795 1.1795 1.5614 1.5614 1.9915 1.9915 16.6534 16.6534 17.3180 17.3180 25.8898 25.8898 28.6972 28.6972 36.4360 36.4360 37.5500 37.5500 k = 0.1944-0.1375 0.6124 ( 554 PWs) bands (ev): 0.2818 0.2818 0.3995 0.3995 1.1816 1.1816 1.5590 1.5590 1.9940 1.9940 16.5421 16.5421 17.2445 17.2445 26.0474 26.0474 28.7724 28.7724 36.7280 36.7280 37.8315 37.8315 k = 0.1875-0.1326 0.6124 ( 554 PWs) bands (ev): 0.2779 0.2779 0.3932 0.3932 1.1851 1.1851 1.5572 1.5572 1.9968 1.9968 16.4336 16.4336 17.1740 17.1740 26.2065 26.2065 28.8490 28.8490 37.0217 37.0217 38.0898 38.0898 k = 0.1806-0.1277 0.6124 ( 554 PWs) bands (ev): 0.2733 0.2733 0.3862 0.3862 1.1898 1.1898 1.5559 1.5559 1.9998 1.9998 16.3282 16.3282 17.1065 17.1065 26.3670 26.3670 28.9270 28.9270 37.3166 37.3166 38.3144 38.3144 k = 0.1736-0.1228 0.6124 ( 562 PWs) bands (ev): 0.2680 0.2680 0.3785 0.3785 1.1956 1.1956 1.5551 1.5551 2.0029 2.0029 16.2258 16.2258 17.0419 17.0419 26.5289 26.5289 29.0063 29.0063 37.6124 37.6124 38.4899 38.4899 k = 0.1667-0.1179 0.6124 ( 562 PWs) bands (ev): 0.2618 0.2618 0.3703 0.3703 1.2024 1.2024 1.5548 1.5548 2.0062 2.0062 16.1267 16.1267 16.9802 16.9802 26.6918 26.6918 29.0868 29.0868 37.9079 37.9079 38.5785 38.5785 k = 0.1597-0.1129 0.6124 ( 562 PWs) bands (ev): 0.2550 0.2550 0.3618 0.3618 1.2100 1.2100 1.5550 1.5550 2.0097 2.0097 16.0308 16.0308 16.9213 16.9213 26.8556 26.8556 29.1684 29.1684 38.1959 38.1959 38.4588 38.4588 k = 0.1528-0.1080 0.6124 ( 558 PWs) bands (ev): 0.2476 0.2476 0.3531 0.3531 1.2181 1.2181 1.5557 1.5557 2.0133 2.0133 15.9382 15.9382 16.8653 16.8653 27.0201 27.0201 29.2509 29.2509 38.2180 38.2180 38.4959 38.4959 k = 0.1458-0.1031 0.6124 ( 558 PWs) bands (ev): 0.2395 0.2395 0.3444 0.3444 1.2267 1.2267 1.5569 1.5569 2.0169 2.0169 15.8492 15.8492 16.8121 16.8121 27.1850 27.1850 29.3342 29.3342 37.9962 37.9962 38.6011 38.6011 k = 0.1389-0.0982 0.6124 ( 558 PWs) bands (ev): 0.2310 0.2310 0.3357 0.3357 1.2357 1.2357 1.5584 1.5584 2.0206 2.0206 15.7636 15.7636 16.7615 16.7615 27.3500 27.3500 29.4181 29.4181 37.7695 37.7695 38.5236 38.5236 k = 0.1319-0.0933 0.6124 ( 558 PWs) bands (ev): 0.2220 0.2220 0.3272 0.3272 1.2448 1.2448 1.5603 1.5603 2.0244 2.0244 15.6817 15.6817 16.7137 16.7137 27.5148 27.5148 29.5024 29.5024 37.5441 37.5441 38.4037 38.4037 k = 0.1250-0.0884 0.6124 ( 558 PWs) bands (ev): 0.2128 0.2128 0.3188 0.3188 1.2541 1.2541 1.5625 1.5625 2.0281 2.0281 15.6035 15.6035 16.6685 16.6685 27.6791 27.6791 29.5870 29.5870 37.3215 37.3215 38.2641 38.2641 k = 0.1181-0.0835 0.6124 ( 554 PWs) bands (ev): 0.2034 0.2034 0.3107 0.3107 1.2632 1.2632 1.5649 1.5649 2.0319 2.0319 15.5291 15.5291 16.6260 16.6260 27.8425 27.8425 29.6715 29.6715 37.1024 37.1024 38.1137 38.1137 k = 0.1111-0.0786 0.6124 ( 554 PWs) bands (ev): 0.1939 0.1939 0.3029 0.3029 1.2723 1.2723 1.5676 1.5676 2.0356 2.0356 15.4585 15.4585 16.5861 16.5861 28.0046 28.0046 29.7557 29.7557 36.8873 36.8873 37.9582 37.9582 k = 0.1042-0.0737 0.6124 ( 554 PWs) bands (ev): 0.1844 0.1844 0.2955 0.2955 1.2811 1.2811 1.5704 1.5704 2.0393 2.0393 15.3918 15.3918 16.5487 16.5487 28.1647 28.1647 29.8393 29.8393 36.6767 36.6767 37.8013 37.8013 k = 0.0972-0.0687 0.6124 ( 554 PWs) bands (ev): 0.1752 0.1752 0.2883 0.2883 1.2896 1.2896 1.5734 1.5734 2.0429 2.0429 15.3291 15.3291 16.5139 16.5139 28.3224 28.3224 29.9219 29.9219 36.4714 36.4714 37.6458 37.6458 k = 0.0903-0.0638 0.6124 ( 552 PWs) bands (ev): 0.1661 0.1661 0.2816 0.2816 1.2978 1.2978 1.5764 1.5764 2.0463 2.0463 15.2704 15.2704 16.4816 16.4816 28.4768 28.4768 30.0032 30.0032 36.2719 36.2719 37.4937 37.4937 k = 0.0833-0.0589 0.6124 ( 552 PWs) bands (ev): 0.1574 0.1574 0.2752 0.2752 1.3055 1.3055 1.5794 1.5794 2.0497 2.0497 15.2159 15.2159 16.4518 16.4518 28.6274 28.6274 30.0826 30.0826 36.0790 36.0790 37.3468 37.3468 k = 0.0764-0.0540 0.6124 ( 548 PWs) bands (ev): 0.1491 0.1491 0.2692 0.2692 1.3128 1.3128 1.5824 1.5824 2.0529 2.0529 15.1654 15.1654 16.4245 16.4245 28.7731 28.7731 30.1598 30.1598 35.8936 35.8936 37.2065 37.2065 k = 0.0694-0.0491 0.6124 ( 548 PWs) bands (ev): 0.1414 0.1414 0.2637 0.2637 1.3195 1.3195 1.5853 1.5853 2.0559 2.0559 15.1192 15.1192 16.3996 16.3996 28.9129 28.9129 30.2342 30.2342 35.7167 35.7167 37.0738 37.0738 k = 0.0625-0.0442 0.6124 ( 548 PWs) bands (ev): 0.1341 0.1341 0.2587 0.2587 1.3257 1.3257 1.5881 1.5881 2.0586 2.0586 15.0773 15.0773 16.3772 16.3772 29.0458 29.0458 30.3052 30.3052 35.5493 35.5493 36.9500 36.9500 k = 0.0556-0.0393 0.6124 ( 548 PWs) bands (ev): 0.1275 0.1275 0.2541 0.2541 1.3313 1.3313 1.5908 1.5908 2.0612 2.0612 15.0396 15.0396 16.3571 16.3571 29.1703 29.1703 30.3721 30.3721 35.3929 35.3929 36.8361 36.8361 k = 0.0486-0.0344 0.6124 ( 552 PWs) bands (ev): 0.1216 0.1216 0.2500 0.2500 1.3363 1.3363 1.5932 1.5932 2.0635 2.0635 15.0063 15.0063 16.3395 16.3395 29.2853 29.2853 30.4342 30.4342 35.2488 35.2488 36.7329 36.7329 k = 0.0417-0.0295 0.6124 ( 552 PWs) bands (ev): 0.1164 0.1164 0.2464 0.2464 1.3406 1.3406 1.5953 1.5953 2.0656 2.0656 14.9773 14.9773 16.3242 16.3242 29.3890 29.3890 30.4908 30.4908 35.1188 35.1188 36.6415 36.6415 k = 0.0347-0.0246 0.6124 ( 552 PWs) bands (ev): 0.1119 0.1119 0.2433 0.2433 1.3443 1.3443 1.5972 1.5972 2.0673 2.0673 14.9528 14.9528 16.3113 16.3113 29.4802 29.4802 30.5410 30.5410 35.0044 35.0044 36.5625 36.5625 k = 0.0278-0.0196 0.6124 ( 552 PWs) bands (ev): 0.1082 0.1082 0.2408 0.2408 1.3474 1.3474 1.5988 1.5988 2.0688 2.0688 14.9326 14.9326 16.3008 16.3008 29.5572 29.5572 30.5839 30.5839 34.9076 34.9076 36.4967 36.4967 k = 0.0208-0.0147 0.6124 ( 552 PWs) bands (ev): 0.1053 0.1053 0.2388 0.2388 1.3497 1.3497 1.6001 1.6001 2.0699 2.0699 14.9169 14.9169 16.2926 16.2926 29.6188 29.6188 30.6185 30.6185 34.8300 34.8300 36.4449 36.4449 k = 0.0139-0.0098 0.6124 ( 552 PWs) bands (ev): 0.1032 0.1032 0.2374 0.2374 1.3514 1.3514 1.6010 1.6010 2.0708 2.0708 14.9057 14.9057 16.2868 16.2868 29.6636 29.6636 30.6439 30.6439 34.7733 34.7733 36.4074 36.4074 k = 0.0069-0.0049 0.6124 ( 546 PWs) bands (ev): 0.1020 0.1020 0.2366 0.2366 1.3525 1.3525 1.6015 1.6015 2.0713 2.0713 14.8990 14.8990 16.2833 16.2833 29.6909 29.6909 30.6595 30.6595 34.7388 34.7388 36.3848 36.3848 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 0.1015 0.1015 0.2363 0.2363 1.3528 1.3528 1.6017 1.6017 2.0714 2.0714 14.8968 14.8968 16.2821 16.2821 29.7001 29.7001 30.6648 30.6648 34.7272 34.7272 36.3772 36.3772 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 0.1015 0.1015 0.2363 0.2363 1.3528 1.3528 1.6017 1.6017 2.0714 2.0714 14.8968 14.8968 16.2821 16.2821 29.7001 29.7001 30.6648 30.6648 34.7272 34.7272 36.3772 36.3772 k = 0.0000 0.0000 0.6039 ( 546 PWs) bands (ev): 0.1017 0.1017 0.2364 0.2364 1.3528 1.3528 1.6016 1.6016 2.0710 2.0710 14.8527 14.8527 16.3293 16.3293 29.7027 29.7027 30.6668 30.6668 34.7278 34.7278 36.3773 36.3773 k = 0.0000 0.0000 0.5954 ( 550 PWs) bands (ev): 0.1020 0.1020 0.2369 0.2369 1.3529 1.3529 1.6011 1.6011 2.0695 2.0695 14.7348 14.7348 16.4563 16.4563 29.7105 29.7105 30.6728 30.6728 34.7296 34.7296 36.3774 36.3774 k = 0.0000 0.0000 0.5869 ( 554 PWs) bands (ev): 0.1026 0.1026 0.2377 0.2377 1.3531 1.3531 1.6003 1.6003 2.0670 2.0670 14.5702 14.5702 16.6362 16.6362 29.7234 29.7234 30.6827 30.6827 34.7324 34.7324 36.3778 36.3778 k = 0.0000 0.0000 0.5784 ( 554 PWs) bands (ev): 0.1035 0.1035 0.2389 0.2389 1.3534 1.3534 1.5992 1.5992 2.0636 2.0636 14.3797 14.3797 16.8483 16.8483 29.7415 29.7415 30.6967 30.6967 34.7366 34.7366 36.3783 36.3783 k = 0.0000 0.0000 0.5698 ( 554 PWs) bands (ev): 0.1045 0.1045 0.2403 0.2403 1.3537 1.3537 1.5977 1.5977 2.0592 2.0592 14.1752 14.1752 17.0805 17.0805 29.7648 29.7648 30.7146 30.7146 34.7420 34.7420 36.3789 36.3789 k = 0.0000 0.0000 0.5613 ( 554 PWs) bands (ev): 0.1058 0.1058 0.2421 0.2421 1.3541 1.3541 1.5960 1.5960 2.0539 2.0539 13.9634 13.9634 17.3260 17.3260 29.7932 29.7932 30.7366 30.7366 34.7487 34.7487 36.3798 36.3798 k = 0.0000 0.0000 0.5528 ( 553 PWs) bands (ev): 0.1073 0.1073 0.2441 0.2441 1.3545 1.3545 1.5939 1.5939 2.0477 2.0477 13.7482 13.7482 17.5812 17.5812 29.8267 29.8267 30.7625 30.7625 34.7565 34.7565 36.3809 36.3809 k = 0.0000 0.0000 0.5443 ( 553 PWs) bands (ev): 0.1091 0.1091 0.2465 0.2465 1.3551 1.3551 1.5915 1.5915 2.0406 2.0406 13.5318 13.5318 17.8437 17.8437 29.8653 29.8653 30.7924 30.7924 34.7655 34.7655 36.3822 36.3822 k = 0.0000 0.0000 0.5358 ( 551 PWs) bands (ev): 0.1110 0.1110 0.2491 0.2491 1.3557 1.3557 1.5887 1.5887 2.0327 2.0327 13.3154 13.3154 18.1122 18.1122 29.9089 29.9089 30.8263 30.8263 34.7757 34.7757 36.3837 36.3837 k = 0.0000 0.0000 0.5273 ( 553 PWs) bands (ev): 0.1132 0.1132 0.2520 0.2520 1.3564 1.3564 1.5856 1.5856 2.0240 2.0240 13.1001 13.1001 18.3858 18.3858 29.9575 29.9575 30.8641 30.8641 34.7872 34.7872 36.3855 36.3855 k = 0.0000 0.0000 0.5188 ( 553 PWs) bands (ev): 0.1155 0.1155 0.2551 0.2551 1.3572 1.3572 1.5822 1.5822 2.0145 2.0145 12.8864 12.8864 18.6639 18.6639 30.0110 30.0110 30.9059 30.9059 34.7998 34.7998 36.3877 36.3877 k = 0.0000 0.0000 0.5103 ( 559 PWs) bands (ev): 0.1180 0.1180 0.2585 0.2585 1.3580 1.3580 1.5784 1.5784 2.0043 2.0043 12.6747 12.6747 18.9461 18.9461 30.0694 30.0694 30.9517 30.9517 34.8136 34.8136 36.3903 36.3903 k = 0.0000 0.0000 0.5018 ( 559 PWs) bands (ev): 0.1207 0.1207 0.2621 0.2621 1.3589 1.3589 1.5743 1.5743 1.9935 1.9935 12.4654 12.4654 19.2320 19.2320 30.1326 30.1326 31.0015 31.0015 34.8287 34.8287 36.3933 36.3933 k = 0.0000 0.0000 0.4933 ( 559 PWs) bands (ev): 0.1235 0.1235 0.2659 0.2659 1.3599 1.3599 1.5698 1.5698 1.9821 1.9821 12.2587 12.2587 19.5214 19.5214 30.2007 30.2007 31.0553 31.0553 34.8450 34.8450 36.3968 36.3968 k = 0.0000 0.0000 0.4848 ( 559 PWs) bands (ev): 0.1265 0.1265 0.2698 0.2698 1.3610 1.3610 1.5649 1.5649 1.9701 1.9701 12.0548 12.0548 19.8141 19.8141 30.2734 30.2734 31.1130 31.1130 34.8625 34.8625 36.4008 36.4008 k = 0.0000 0.0000 0.4763 ( 559 PWs) bands (ev): 0.1296 0.1296 0.2740 0.2740 1.3621 1.3621 1.5597 1.5597 1.9577 1.9577 11.8537 11.8537 20.1100 20.1100 30.3508 30.3508 31.1747 31.1747 34.8812 34.8812 36.4054 36.4054 k = 0.0000 0.0000 0.4678 ( 559 PWs) bands (ev): 0.1328 0.1328 0.2782 0.2782 1.3633 1.3633 1.5541 1.5541 1.9448 1.9448 11.6557 11.6557 20.4090 20.4090 30.4327 30.4327 31.2404 31.2404 34.9012 34.9012 36.4107 36.4107 k = 0.0000 0.0000 0.4593 ( 559 PWs) bands (ev): 0.1362 0.1362 0.2826 0.2826 1.3645 1.3645 1.5481 1.5481 1.9317 1.9317 11.4608 11.4608 20.7108 20.7108 30.5191 30.5191 31.3101 31.3101 34.9224 34.9224 36.4166 36.4166 k = 0.0000 0.0000 0.4508 ( 559 PWs) bands (ev): 0.1396 0.1396 0.2870 0.2870 1.3658 1.3658 1.5418 1.5418 1.9183 1.9183 11.2691 11.2691 21.0155 21.0155 30.6099 30.6099 31.3837 31.3837 34.9448 34.9448 36.4232 36.4232 k = 0.0000 0.0000 0.4423 ( 553 PWs) bands (ev): 0.1432 0.1432 0.2915 0.2915 1.3670 1.3670 1.5351 1.5351 1.9047 1.9047 11.0806 11.0806 21.3230 21.3230 30.7050 30.7050 31.4613 31.4613 34.9685 34.9685 36.4307 36.4307 k = 0.0000 0.0000 0.4338 ( 553 PWs) bands (ev): 0.1468 0.1468 0.2960 0.2960 1.3683 1.3683 1.5281 1.5281 1.8910 1.8910 10.8954 10.8954 21.6331 21.6331 30.8042 30.8042 31.5430 31.5430 34.9934 34.9934 36.4390 36.4390 k = 0.0000 0.0000 0.4253 ( 549 PWs) bands (ev): 0.1504 0.1504 0.3005 0.3005 1.3694 1.3694 1.5208 1.5208 1.8773 1.8773 10.7136 10.7136 21.9459 21.9459 30.9076 30.9076 31.6286 31.6286 35.0195 35.0195 36.4482 36.4482 k = 0.0000 0.0000 0.4168 ( 549 PWs) bands (ev): 0.1541 0.1541 0.3049 0.3049 1.3705 1.3705 1.5132 1.5132 1.8636 1.8636 10.5352 10.5352 22.2612 22.2612 31.0149 31.0149 31.7183 31.7183 35.0468 35.0468 36.4583 36.4583 k = 0.0000 0.0000 0.4082 ( 549 PWs) bands (ev): 0.1579 0.1579 0.3093 0.3093 1.3713 1.3713 1.5055 1.5055 1.8501 1.8501 10.3602 10.3602 22.5789 22.5789 31.1261 31.1261 31.8120 31.8120 35.0754 35.0754 36.4695 36.4695 k = 0.0000 0.0000 0.3997 ( 549 PWs) bands (ev): 0.1616 0.1616 0.3135 0.3135 1.3717 1.3717 1.4978 1.4978 1.8368 1.8368 10.1887 10.1887 22.8991 22.8991 31.2410 31.2410 31.9097 31.9097 35.1051 35.1051 36.4818 36.4818 k = 0.0000 0.0000 0.3912 ( 551 PWs) bands (ev): 0.1654 0.1654 0.3177 0.3177 1.3717 1.3717 1.4901 1.4901 1.8238 1.8238 10.0207 10.0207 23.2217 23.2217 31.3595 31.3595 32.0116 32.0116 35.1361 35.1361 36.4952 36.4952 k = 0.0000 0.0000 0.3827 ( 559 PWs) bands (ev): 0.1692 0.1692 0.3216 0.3216 1.3710 1.3710 1.4828 1.4828 1.8110 1.8110 9.8563 9.8563 23.5466 23.5466 31.4815 31.4815 32.1175 32.1175 35.1683 35.1683 36.5097 36.5097 k = 0.0000 0.0000 0.3742 ( 559 PWs) bands (ev): 0.1729 0.1729 0.3254 0.3254 1.3694 1.3694 1.4761 1.4761 1.7987 1.7987 9.6954 9.6954 23.8737 23.8737 31.6068 31.6068 32.2275 32.2275 35.2018 35.2018 36.5256 36.5256 k = 0.0000 0.0000 0.3657 ( 559 PWs) bands (ev): 0.1766 0.1766 0.3289 0.3289 1.3665 1.3665 1.4703 1.4703 1.7868 1.7868 9.5381 9.5381 24.2031 24.2031 31.7352 31.7352 32.3417 32.3417 35.2364 35.2364 36.5427 36.5427 k = 0.0000 0.0000 0.3572 ( 563 PWs) bands (ev): 0.1803 0.1803 0.3322 0.3322 1.3623 1.3623 1.4656 1.4656 1.7753 1.7753 9.3844 9.3844 24.5345 24.5345 31.8666 31.8666 32.4600 32.4600 35.2722 35.2722 36.5611 36.5611 k = 0.0000 0.0000 0.3487 ( 563 PWs) bands (ev): 0.1839 0.1839 0.3351 0.3351 1.3564 1.3564 1.4623 1.4623 1.7643 1.7643 9.2344 9.2344 24.8681 24.8681 32.0009 32.0009 32.5826 32.5826 35.3093 35.3093 36.5811 36.5811 k = 0.0000 0.0000 0.3402 ( 563 PWs) bands (ev): 0.1874 0.1874 0.3378 0.3378 1.3489 1.3489 1.4604 1.4604 1.7538 1.7538 9.0880 9.0880 25.2036 25.2036 32.1379 32.1379 32.7093 32.7093 35.3475 35.3475 36.6024 36.6024 k = 0.0000 0.0000 0.3317 ( 563 PWs) bands (ev): 0.1909 0.1909 0.3401 0.3401 1.3400 1.3400 1.4598 1.4598 1.7438 1.7438 8.9453 8.9453 25.5411 25.5411 32.2774 32.2774 32.8403 32.8403 35.3869 35.3869 36.6253 36.6253 k = 0.0000 0.0000 0.3232 ( 559 PWs) bands (ev): 0.1943 0.1943 0.3420 0.3420 1.3298 1.3298 1.4604 1.4604 1.7343 1.7343 8.8062 8.8062 25.8806 25.8806 32.4193 32.4193 32.9755 32.9755 35.4275 35.4275 36.6498 36.6498 k = 0.0000 0.0000 0.3147 ( 559 PWs) bands (ev): 0.1976 0.1976 0.3436 0.3436 1.3185 1.3185 1.4620 1.4620 1.7252 1.7252 8.6708 8.6708 26.2218 26.2218 32.5634 32.5634 33.1148 33.1148 35.4692 35.4692 36.6758 36.6758 k = 0.0000 0.0000 0.3062 ( 559 PWs) bands (ev): 0.2007 0.2007 0.3447 0.3447 1.3065 1.3065 1.4644 1.4644 1.7167 1.7167 8.5392 8.5392 26.5647 26.5647 32.7097 32.7097 33.2584 33.2584 35.5120 35.5120 36.7035 36.7035 k = 0.0000 0.0000 0.2977 ( 559 PWs) bands (ev): 0.2038 0.2038 0.3454 0.3454 1.2940 1.2940 1.4675 1.4675 1.7086 1.7086 8.4112 8.4112 26.9093 26.9093 32.8579 32.8579 33.4060 33.4060 35.5560 35.5560 36.7328 36.7328 k = 0.0000 0.0000 0.2892 ( 559 PWs) bands (ev): 0.2067 0.2067 0.3456 0.3456 1.2811 1.2811 1.4711 1.4711 1.7010 1.7010 8.2870 8.2870 27.2554 27.2554 33.0079 33.0079 33.5576 33.5576 35.6010 35.6010 36.7638 36.7638 k = 0.0000 0.0000 0.2807 ( 567 PWs) bands (ev): 0.2095 0.2095 0.3455 0.3455 1.2679 1.2679 1.4752 1.4752 1.6937 1.6937 8.1665 8.1665 27.6030 27.6030 33.1597 33.1597 33.7132 33.7132 35.6470 35.6470 36.7966 36.7966 k = 0.0000 0.0000 0.2722 ( 567 PWs) bands (ev): 0.2121 0.2121 0.3448 0.3448 1.2547 1.2547 1.4796 1.4796 1.6869 1.6869 8.0497 8.0497 27.9520 27.9520 33.3132 33.3132 33.8725 33.8725 35.6940 35.6940 36.8311 36.8311 k = 0.0000 0.0000 0.2637 ( 567 PWs) bands (ev): 0.2146 0.2146 0.3437 0.3437 1.2415 1.2415 1.4843 1.4843 1.6805 1.6805 7.9367 7.9367 28.3023 28.3023 33.4682 33.4682 34.0355 34.0355 35.7421 35.7421 36.8675 36.8675 k = 0.0000 0.0000 0.2552 ( 567 PWs) bands (ev): 0.2170 0.2170 0.3422 0.3422 1.2284 1.2284 1.4892 1.4892 1.6745 1.6745 7.8274 7.8274 28.6538 28.6538 33.6248 33.6248 34.2019 34.2019 35.7910 35.7910 36.9057 36.9057 k = 0.0000 0.0000 0.2467 ( 571 PWs) bands (ev): 0.2192 0.2192 0.3402 0.3402 1.2156 1.2156 1.4944 1.4944 1.6688 1.6688 7.7219 7.7219 29.0062 29.0062 33.7827 33.7827 34.3715 34.3715 35.8408 35.8408 36.9458 36.9458 k = 0.0000 0.0000 0.2381 ( 571 PWs) bands (ev): 0.2212 0.2212 0.3378 0.3378 1.2030 1.2030 1.4996 1.4996 1.6634 1.6634 7.6201 7.6201 29.3597 29.3597 33.9420 33.9420 34.5442 34.5442 35.8915 35.8915 36.9878 36.9878 k = 0.0000 0.0000 0.2296 ( 571 PWs) bands (ev): 0.2231 0.2231 0.3349 0.3349 1.1908 1.1908 1.5050 1.5050 1.6583 1.6583 7.5220 7.5220 29.7138 29.7138 34.1025 34.1025 34.7195 34.7195 35.9429 35.9429 37.0318 37.0318 k = 0.0000 0.0000 0.2211 ( 571 PWs) bands (ev): 0.2248 0.2248 0.3317 0.3317 1.1789 1.1789 1.5104 1.5104 1.6535 1.6535 7.4276 7.4276 30.0686 30.0686 34.2640 34.2640 34.8973 34.8973 35.9949 35.9949 37.0778 37.0778 k = 0.0000 0.0000 0.2126 ( 571 PWs) bands (ev): 0.2264 0.2264 0.3281 0.3281 1.1675 1.1675 1.5159 1.5159 1.6491 1.6491 7.3370 7.3370 30.4238 30.4238 34.4265 34.4265 35.0771 35.0771 36.0476 36.0476 37.1259 37.1259 k = 0.0000 0.0000 0.2041 ( 567 PWs) bands (ev): 0.2278 0.2278 0.3242 0.3242 1.1566 1.1566 1.5214 1.5214 1.6448 1.6448 7.2501 7.2501 30.7792 30.7792 34.5898 34.5898 35.2586 35.2586 36.1007 36.1007 37.1761 37.1761 k = 0.0000 0.0000 0.1956 ( 569 PWs) bands (ev): 0.2291 0.2291 0.3200 0.3200 1.1462 1.1462 1.5268 1.5268 1.6409 1.6409 7.1670 7.1670 31.1346 31.1346 34.7535 34.7535 35.4412 35.4412 36.1543 36.1543 37.2286 37.2286 k = 0.0000 0.0000 0.1871 ( 569 PWs) bands (ev): 0.2302 0.2302 0.3155 0.3155 1.1363 1.1363 1.5322 1.5322 1.6371 1.6371 7.0875 7.0875 31.4896 31.4896 34.9175 34.9175 35.6245 35.6245 36.2082 36.2082 37.2836 37.2836 k = 0.0000 0.0000 0.1786 ( 569 PWs) bands (ev): 0.2312 0.2312 0.3107 0.3107 1.1269 1.1269 1.5376 1.5376 1.6336 1.6336 7.0117 7.0117 31.8440 31.8440 35.0814 35.0814 35.8075 35.8075 36.2622 36.2622 37.3414 37.3414 k = 0.0000 0.0000 0.1701 ( 569 PWs) bands (ev): 0.2320 0.2320 0.3058 0.3058 1.1181 1.1181 1.5428 1.5428 1.6304 1.6304 6.9396 6.9396 32.1974 32.1974 35.2447 35.2447 35.9895 35.9895 36.3164 36.3164 37.4024 37.4024 k = 0.0000 0.0000 0.1616 ( 569 PWs) bands (ev): 0.2327 0.2327 0.3008 0.3008 1.1098 1.1098 1.5479 1.5479 1.6273 1.6273 6.8711 6.8711 32.5494 32.5494 35.4069 35.4069 36.1689 36.1689 36.3707 36.3707 37.4671 37.4672 k = 0.0000 0.0000 0.1531 ( 569 PWs) bands (ev): 0.2333 0.2333 0.2956 0.2956 1.1020 1.1020 1.5529 1.5529 1.6245 1.6245 6.8063 6.8063 32.8995 32.8995 35.5675 35.5675 36.3430 36.3430 36.4263 36.4263 37.5366 37.5366 k = 0.0000 0.0000 0.1446 ( 569 PWs) bands (ev): 0.2338 0.2338 0.2904 0.2904 1.0947 1.0947 1.5577 1.5577 1.6218 1.6218 6.7451 6.7451 33.2471 33.2471 35.7255 35.7255 36.4696 36.4696 36.5232 36.5232 37.6121 37.6121 k = 0.0000 0.0000 0.1361 ( 565 PWs) bands (ev): 0.2342 0.2342 0.2852 0.2852 1.0880 1.0880 1.5623 1.5623 1.6193 1.6193 6.6876 6.6876 33.5914 33.5914 35.8802 35.8802 36.5259 36.5259 36.6815 36.6815 37.6953 37.6953 k = 0.0000 0.0000 0.1276 ( 569 PWs) bands (ev): 0.2345 0.2345 0.2800 0.2800 1.0818 1.0818 1.5668 1.5668 1.6170 1.6170 6.6336 6.6336 33.9316 33.9316 36.0304 36.0304 36.5779 36.5779 36.8321 36.8321 37.7886 37.7886 k = 0.0000 0.0000 0.1191 ( 569 PWs) bands (ev): 0.2347 0.2347 0.2750 0.2750 1.0761 1.0761 1.5710 1.5710 1.6149 1.6149 6.5832 6.5832 34.2665 34.2665 36.1747 36.1747 36.6281 36.6281 36.9694 36.9694 37.8941 37.8941 k = 0.0000 0.0000 0.1106 ( 569 PWs) bands (ev): 0.2348 0.2348 0.2700 0.2700 1.0708 1.0708 1.5750 1.5750 1.6130 1.6130 6.5364 6.5364 34.5949 34.5949 36.3118 36.3118 36.6767 36.6767 37.0911 37.0911 38.0136 38.0136 k = 0.0000 0.0000 0.1021 ( 571 PWs) bands (ev): 0.2349 0.2349 0.2653 0.2653 1.0660 1.0660 1.5787 1.5787 1.6112 1.6112 6.4932 6.4932 34.9150 34.9150 36.4398 36.4398 36.7236 36.7236 37.1973 37.1973 38.1474 38.1474 k = 0.0000 0.0000 0.0936 ( 567 PWs) bands (ev): 0.2349 0.2349 0.2607 0.2607 1.0617 1.0617 1.5822 1.5822 1.6095 1.6095 6.4535 6.4535 35.2247 35.2247 36.5570 36.5570 36.7683 36.7683 37.2901 37.2901 38.2941 38.2941 k = 0.0000 0.0000 0.0851 ( 567 PWs) bands (ev): 0.2349 0.2349 0.2564 0.2564 1.0578 1.0578 1.5855 1.5855 1.6081 1.6081 6.4173 6.4173 35.5213 35.5213 36.6616 36.6616 36.8106 36.8106 37.3732 37.3732 38.4511 38.4511 k = 0.0000 0.0000 0.0765 ( 563 PWs) bands (ev): 0.2348 0.2348 0.2524 0.2524 1.0543 1.0543 1.5884 1.5884 1.6068 1.6068 6.3846 6.3846 35.8015 35.8015 36.7521 36.7521 36.8503 36.8503 37.4516 37.4516 38.6156 38.6156 k = 0.0000 0.0000 0.0680 ( 563 PWs) bands (ev): 0.2347 0.2347 0.2488 0.2488 1.0513 1.0513 1.5911 1.5911 1.6056 1.6056 6.3553 6.3553 36.0613 36.0613 36.8278 36.8278 36.8869 36.8869 37.5295 37.5295 38.7846 38.7846 k = 0.0000 0.0000 0.0595 ( 559 PWs) bands (ev): 0.2346 0.2346 0.2455 0.2455 1.0486 1.0486 1.5934 1.5934 1.6046 1.6046 6.3296 6.3296 36.2960 36.2960 36.8886 36.8886 36.9201 36.9201 37.6106 37.6106 38.9558 38.9558 k = 0.0000 0.0000 0.0510 ( 559 PWs) bands (ev): 0.2345 0.2345 0.2426 0.2426 1.0463 1.0463 1.5955 1.5955 1.6037 1.6037 6.3073 6.3073 36.5011 36.5011 36.9358 36.9358 36.9498 36.9498 37.6963 37.6963 39.1265 39.1265 k = 0.0000 0.0000 0.0425 ( 555 PWs) bands (ev): 0.2345 0.2345 0.2400 0.2400 1.0444 1.0444 1.5972 1.5972 1.6029 1.6029 6.2885 6.2885 36.6729 36.6729 36.9709 36.9709 36.9756 36.9756 37.7859 37.7859 39.2942 39.2942 k = 0.0000 0.0000 0.0340 ( 555 PWs) bands (ev): 0.2344 0.2344 0.2380 0.2380 1.0428 1.0428 1.5987 1.5987 1.6023 1.6023 6.2731 6.2731 36.8094 36.8094 36.9956 36.9956 36.9979 36.9979 37.8753 37.8753 39.4545 39.4545 k = 0.0000 0.0000 0.0255 ( 555 PWs) bands (ev): 0.2343 0.2343 0.2363 0.2363 1.0416 1.0416 1.5998 1.5998 1.6018 1.6018 6.2611 6.2611 36.9115 36.9115 37.0130 37.0130 37.0152 37.0152 37.9579 37.9579 39.6005 39.6005 k = 0.0000 0.0000 0.0170 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2351 0.2351 1.0408 1.0408 1.6006 1.6006 1.6015 1.6015 6.2526 6.2526 36.9814 36.9814 37.0253 37.0253 37.0267 37.0267 38.0252 38.0252 39.7214 39.7214 k = 0.0000 0.0000 0.0085 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2344 0.2344 1.0403 1.0403 1.6011 1.6011 1.6013 1.6013 6.2475 6.2475 37.0220 37.0220 37.0327 37.0327 37.0331 37.0331 38.0693 38.0693 39.8032 39.8032 k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2342 0.2342 1.0401 1.0401 1.6012 1.6012 1.6012 1.6012 6.2458 6.2458 37.0352 37.0352 37.0352 37.0352 37.0352 37.0352 38.0847 38.0847 39.8324 39.8324 k = 0.0000 0.0000 0.0000 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2342 0.2342 1.0401 1.0401 1.6012 1.6012 1.6012 1.6012 6.2458 6.2458 37.0352 37.0352 37.0352 37.0352 37.0352 37.0352 38.0847 38.0847 39.8324 39.8324 k = 0.0028 0.0040 0.0069 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2344 0.2344 1.0403 1.0403 1.6011 1.6011 1.6013 1.6013 6.2474 6.2474 37.0256 37.0256 37.0259 37.0259 37.0367 37.0367 38.0696 38.0696 39.8032 39.8032 k = 0.0056 0.0079 0.0138 ( 555 PWs) bands (ev): 0.2342 0.2342 0.2352 0.2352 1.0408 1.0408 1.6006 1.6006 1.6015 1.6015 6.2525 6.2525 36.9956 36.9956 36.9977 36.9977 37.0411 37.0411 38.0264 38.0264 39.7200 39.7200 k = 0.0084 0.0119 0.0206 ( 555 PWs) bands (ev): 0.2341 0.2341 0.2364 0.2364 1.0416 1.0416 1.5999 1.5999 1.6017 1.6017 6.2608 6.2608 36.9431 36.9431 36.9500 36.9500 37.0485 37.0485 37.9604 37.9604 39.5944 39.5944 k = 0.0112 0.0159 0.0275 ( 555 PWs) bands (ev): 0.2341 0.2341 0.2381 0.2381 1.0428 1.0428 1.5989 1.5989 1.6021 1.6021 6.2726 6.2726 36.8648 36.8648 36.8819 36.8819 37.0588 37.0588 37.8780 37.8780 39.4405 39.4405 k = 0.0140 0.0199 0.0344 ( 555 PWs) bands (ev): 0.2340 0.2340 0.2403 0.2403 1.0443 1.0443 1.5976 1.5976 1.6027 1.6027 6.2877 6.2877 36.7581 36.7581 36.7927 36.7927 37.0721 37.0721 37.7841 37.7841 39.2726 39.2726 k = 0.0169 0.0238 0.0413 ( 561 PWs) bands (ev): 0.2340 0.2340 0.2429 0.2429 1.0462 1.0462 1.5960 1.5960 1.6033 1.6033 6.3062 6.3062 36.6224 36.6224 36.6821 36.6821 37.0883 37.0883 37.6793 37.6793 39.1041 39.1041 k = 0.0197 0.0278 0.0482 ( 561 PWs) bands (ev): 0.2339 0.2339 0.2459 0.2459 1.0485 1.0485 1.5941 1.5941 1.6041 1.6041 6.3281 6.3281 36.4594 36.4594 36.5504 36.5504 37.1075 37.1075 37.5597 37.5597 38.9483 38.9483 k = 0.0225 0.0318 0.0550 ( 567 PWs) bands (ev): 0.2338 0.2338 0.2492 0.2492 1.0511 1.0511 1.5920 1.5920 1.6049 1.6049 6.3533 6.3533 36.2728 36.2728 36.3987 36.3987 37.1296 37.1296 37.4182 37.4182 38.8164 38.8164 k = 0.0253 0.0358 0.0619 ( 567 PWs) bands (ev): 0.2337 0.2337 0.2529 0.2529 1.0542 1.0542 1.5896 1.5896 1.6060 1.6060 6.3820 6.3820 36.0670 36.0670 36.2286 36.2286 37.1546 37.1546 37.2491 37.2491 38.7161 38.7161 k = 0.0281 0.0397 0.0688 ( 567 PWs) bands (ev): 0.2336 0.2336 0.2568 0.2568 1.0576 1.0576 1.5869 1.5869 1.6071 1.6071 6.4141 6.4141 35.8461 35.8461 36.0424 36.0424 37.0509 37.0509 37.1826 37.1826 38.6497 38.6497 k = 0.0309 0.0437 0.0757 ( 567 PWs) bands (ev): 0.2334 0.2334 0.2610 0.2610 1.0615 1.0615 1.5841 1.5841 1.6084 1.6084 6.4497 6.4497 35.6136 35.6136 35.8425 35.8425 36.8262 36.8262 37.2136 37.2136 38.6145 38.6145 k = 0.0337 0.0477 0.0826 ( 567 PWs) bands (ev): 0.2333 0.2333 0.2654 0.2654 1.0658 1.0658 1.5810 1.5810 1.6099 1.6099 6.4887 6.4887 35.3721 35.3721 35.6309 35.6309 36.5801 36.5801 37.2475 37.2475 38.6056 38.6056 k = 0.0365 0.0516 0.0894 ( 567 PWs) bands (ev): 0.2331 0.2331 0.2698 0.2698 1.0706 1.0706 1.5777 1.5777 1.6115 1.6115 6.5312 6.5312 35.1239 35.1239 35.4100 35.4100 36.3176 36.3176 37.2843 37.2843 38.6180 38.6180 k = 0.0393 0.0556 0.0963 ( 567 PWs) bands (ev): 0.2329 0.2329 0.2744 0.2744 1.0758 1.0758 1.5742 1.5742 1.6133 1.6133 6.5771 6.5771 34.8706 34.8706 35.1814 35.1814 36.0430 36.0430 37.3241 37.3241 38.6474 38.6474 k = 0.0421 0.0596 0.1032 ( 561 PWs) bands (ev): 0.2326 0.2326 0.2790 0.2790 1.0815 1.0815 1.5706 1.5706 1.6152 1.6152 6.6266 6.6266 34.6135 34.6135 34.9469 34.9469 35.7597 35.7597 37.3668 37.3668 38.6908 38.6908 k = 0.0449 0.0636 0.1101 ( 561 PWs) bands (ev): 0.2324 0.2324 0.2835 0.2835 1.0877 1.0877 1.5668 1.5668 1.6174 1.6174 6.6797 6.6797 34.3534 34.3534 34.7076 34.7076 35.4701 35.4701 37.4125 37.4125 38.7459 38.7459 k = 0.0478 0.0675 0.1170 ( 561 PWs) bands (ev): 0.2321 0.2321 0.2880 0.2880 1.0944 1.0944 1.5628 1.5628 1.6197 1.6197 6.7362 6.7362 34.0913 34.0913 34.4647 34.4647 35.1760 35.1760 37.4611 37.4611 38.8109 38.8109 k = 0.0506 0.0715 0.1239 ( 561 PWs) bands (ev): 0.2318 0.2318 0.2924 0.2924 1.1015 1.1015 1.5588 1.5588 1.6222 1.6222 6.7964 6.7964 33.8275 33.8275 34.2191 34.2191 34.8790 34.8790 37.5127 37.5127 38.8847 38.8847 k = 0.0534 0.0755 0.1307 ( 561 PWs) bands (ev): 0.2315 0.2315 0.2966 0.2966 1.1091 1.1091 1.5546 1.5546 1.6249 1.6249 6.8601 6.8601 33.5627 33.5627 33.9716 33.9716 34.5801 34.5801 37.5672 37.5672 38.9664 38.9664 k = 0.0562 0.0795 0.1376 ( 561 PWs) bands (ev): 0.2312 0.2312 0.3006 0.3006 1.1172 1.1172 1.5503 1.5503 1.6278 1.6278 6.9275 6.9275 33.2971 33.2971 33.7228 33.7228 34.2802 34.2802 37.6247 37.6247 39.0553 39.0553 k = 0.0590 0.0834 0.1445 ( 561 PWs) bands (ev): 0.2308 0.2308 0.3043 0.3043 1.1257 1.1257 1.5460 1.5460 1.6309 1.6309 6.9985 6.9985 33.0310 33.0310 33.4731 33.4731 33.9800 33.9800 37.6851 37.6851 39.1509 39.1509 k = 0.0618 0.0874 0.1514 ( 561 PWs) bands (ev): 0.2304 0.2304 0.3078 0.3078 1.1346 1.1346 1.5417 1.5417 1.6342 1.6342 7.0732 7.0732 32.7646 32.7646 33.2230 33.2230 33.6802 33.6802 37.7484 37.7484 39.2528 39.2528 k = 0.0646 0.0914 0.1583 ( 561 PWs) bands (ev): 0.2300 0.2300 0.3110 0.3110 1.1439 1.1439 1.5373 1.5373 1.6378 1.6378 7.1516 7.1516 32.4980 32.4980 32.9729 32.9729 33.3813 33.3813 37.8147 37.8147 39.3607 39.3607 k = 0.0674 0.0953 0.1651 ( 561 PWs) bands (ev): 0.2296 0.2296 0.3139 0.3139 1.1536 1.1536 1.5329 1.5329 1.6415 1.6415 7.2336 7.2336 32.2314 32.2314 32.7230 32.7230 33.0837 33.0837 37.8840 37.8840 39.4742 39.4742 k = 0.0702 0.0993 0.1720 ( 564 PWs) bands (ev): 0.2292 0.2292 0.3165 0.3165 1.1637 1.1637 1.5285 1.5285 1.6455 1.6455 7.3194 7.3194 31.9648 31.9648 32.4736 32.4736 32.7879 32.7879 37.9562 37.9562 39.5932 39.5932 k = 0.0730 0.1033 0.1789 ( 564 PWs) bands (ev): 0.2287 0.2287 0.3188 0.3188 1.1740 1.1740 1.5241 1.5241 1.6497 1.6497 7.4088 7.4088 31.6982 31.6982 32.2249 32.2249 32.4942 32.4942 38.0313 38.0313 39.7175 39.7175 k = 0.0758 0.1073 0.1858 ( 564 PWs) bands (ev): 0.2283 0.2283 0.3207 0.3207 1.1845 1.1845 1.5198 1.5198 1.6542 1.6542 7.5021 7.5021 31.4318 31.4318 31.9771 31.9771 32.2031 32.2031 38.1093 38.1093 39.8469 39.8469 k = 0.0787 0.1112 0.1927 ( 564 PWs) bands (ev): 0.2278 0.2278 0.3223 0.3223 1.1952 1.1952 1.5156 1.5156 1.6588 1.6588 7.5991 7.5991 31.1654 31.1654 31.7303 31.7303 31.9148 31.9148 38.1903 38.1903 39.9812 39.9812 k = 0.0815 0.1152 0.1995 ( 558 PWs) bands (ev): 0.2273 0.2273 0.3235 0.3235 1.2061 1.2061 1.5114 1.5114 1.6637 1.6637 7.6998 7.6998 30.8992 30.8992 31.4847 31.4847 31.6296 31.6296 38.2743 38.2743 40.1204 40.1204 k = 0.0843 0.1192 0.2064 ( 552 PWs) bands (ev): 0.2269 0.2269 0.3245 0.3245 1.2171 1.2171 1.5074 1.5074 1.6688 1.6688 7.8044 7.8044 30.6331 30.6331 31.2403 31.2403 31.3478 31.3478 38.3611 38.3611 40.2643 40.2643 k = 0.0871 0.1231 0.2133 ( 552 PWs) bands (ev): 0.2264 0.2264 0.3252 0.3252 1.2281 1.2281 1.5034 1.5034 1.6741 1.6741 7.9127 7.9127 30.3671 30.3671 30.9974 30.9974 31.0696 31.0696 38.4510 38.4510 40.4127 40.4127 k = 0.0899 0.1271 0.2202 ( 552 PWs) bands (ev): 0.2259 0.2259 0.3256 0.3256 1.2390 1.2390 1.4996 1.4996 1.6796 1.6796 8.0248 8.0248 30.1014 30.1014 30.7559 30.7559 30.7950 30.7950 38.5437 38.5437 40.5655 40.5655 k = 0.0927 0.1311 0.2271 ( 552 PWs) bands (ev): 0.2255 0.2255 0.3258 0.3258 1.2499 1.2499 1.4959 1.4959 1.6852 1.6852 8.1407 8.1407 29.8360 29.8360 30.5159 30.5159 30.5243 30.5243 38.6394 38.6394 40.7227 40.7227 k = 0.0955 0.1351 0.2339 ( 558 PWs) bands (ev): 0.2251 0.2251 0.3258 0.3258 1.2607 1.2607 1.4924 1.4924 1.6910 1.6910 8.2605 8.2605 29.5710 29.5710 30.2574 30.2574 30.2775 30.2775 38.7380 38.7380 40.8841 40.8841 k = 0.0983 0.1390 0.2408 ( 558 PWs) bands (ev): 0.2247 0.2247 0.3255 0.3255 1.2713 1.2713 1.4891 1.4891 1.6970 1.6970 8.3840 8.3840 29.3065 29.3065 29.9944 29.9944 30.0408 30.0408 38.8396 38.8396 41.0495 41.0495 k = 0.1011 0.1430 0.2477 ( 555 PWs) bands (ev): 0.2243 0.2243 0.3252 0.3252 1.2816 1.2816 1.4859 1.4859 1.7030 1.7030 8.5113 8.5113 29.0429 29.0429 29.7354 29.7354 29.8058 29.8058 38.9441 38.9441 41.2190 41.2190 k = 0.1039 0.1470 0.2546 ( 555 PWs) bands (ev): 0.2240 0.2240 0.3246 0.3246 1.2917 1.2917 1.4830 1.4830 1.7092 1.7092 8.6424 8.6424 28.7802 28.7802 29.4801 29.4801 29.5726 29.5726 39.0515 39.0515 41.3922 41.3922 k = 0.1067 0.1510 0.2615 ( 555 PWs) bands (ev): 0.2237 0.2237 0.3240 0.3240 1.3015 1.3015 1.4802 1.4802 1.7154 1.7154 8.7773 8.7773 28.5187 28.5187 29.2286 29.2286 29.3412 29.3412 39.1619 39.1619 41.5692 41.5692 k = 0.1096 0.1549 0.2683 ( 555 PWs) bands (ev): 0.2235 0.2235 0.3233 0.3233 1.3109 1.3109 1.4777 1.4777 1.7216 1.7216 8.9159 8.9159 28.2586 28.2586 28.9808 28.9808 29.1116 29.1116 39.2752 39.2752 41.7496 41.7496 k = 0.1124 0.1589 0.2752 ( 555 PWs) bands (ev): 0.2234 0.2234 0.3226 0.3226 1.3199 1.3199 1.4754 1.4754 1.7278 1.7278 9.0583 9.0583 28.0002 28.0002 28.7365 28.7365 28.8839 28.8839 39.3914 39.3914 41.9334 41.9334 k = 0.1152 0.1629 0.2821 ( 555 PWs) bands (ev): 0.2234 0.2234 0.3219 0.3219 1.3286 1.3286 1.4733 1.4733 1.7340 1.7340 9.2045 9.2045 27.7436 27.7436 28.4956 28.4956 28.6581 28.6581 39.5105 39.5105 42.1202 42.1202 k = 0.1180 0.1668 0.2890 ( 561 PWs) bands (ev): 0.2234 0.2234 0.3212 0.3212 1.3368 1.3368 1.4715 1.4715 1.7400 1.7400 9.3544 9.3544 27.4891 27.4891 28.2580 28.2580 28.4341 28.4341 39.6326 39.6326 42.3098 42.3098 k = 0.1208 0.1708 0.2959 ( 567 PWs) bands (ev): 0.2235 0.2235 0.3205 0.3205 1.3445 1.3445 1.4699 1.4699 1.7460 1.7460 9.5081 9.5081 27.2369 27.2369 28.0235 28.0235 28.2122 28.2122 39.7576 39.7576 42.5016 42.5016 k = 0.1236 0.1748 0.3027 ( 567 PWs) bands (ev): 0.2238 0.2238 0.3199 0.3199 1.3518 1.3518 1.4686 1.4686 1.7517 1.7517 9.6654 9.6654 26.9872 26.9872 27.7923 27.7923 27.9922 27.9922 39.8856 39.8856 42.6951 42.6952 k = 0.1264 0.1788 0.3096 ( 567 PWs) bands (ev): 0.2241 0.2241 0.3194 0.3194 1.3587 1.3587 1.4675 1.4675 1.7573 1.7573 9.8264 9.8264 26.7402 26.7402 27.5640 27.5640 27.7743 27.7743 40.0164 40.0164 42.8893 42.8893 k = 0.1292 0.1827 0.3165 ( 564 PWs) bands (ev): 0.2246 0.2246 0.3190 0.3190 1.3650 1.3650 1.4667 1.4667 1.7626 1.7626 9.9911 9.9911 26.4961 26.4961 27.3387 27.3387 27.5584 27.5584 40.1502 40.1502 43.0825 43.0825 k = 0.1320 0.1867 0.3234 ( 552 PWs) bands (ev): 0.2252 0.2252 0.3188 0.3188 1.3708 1.3708 1.4661 1.4661 1.7676 1.7676 10.1594 10.1594 26.2550 26.2550 27.1163 27.1163 27.3447 27.3447 40.2869 40.2869 43.2720 43.2721 k = 0.1348 0.1907 0.3303 ( 552 PWs) bands (ev): 0.2259 0.2259 0.3187 0.3187 1.3761 1.3761 1.4659 1.4659 1.7722 1.7722 10.3313 10.3313 26.0170 26.0170 26.8967 26.8967 27.1329 27.1329 40.4265 40.4265 43.4530 43.4530 k = 0.1376 0.1947 0.3371 ( 552 PWs) bands (ev): 0.2268 0.2268 0.3188 0.3188 1.3809 1.3809 1.4658 1.4658 1.7765 1.7765 10.5068 10.5068 25.7822 25.7822 26.6798 26.6798 26.9233 26.9233 40.5691 40.5691 43.6189 43.6189 k = 0.1404 0.1986 0.3440 ( 552 PWs) bands (ev): 0.2279 0.2279 0.3191 0.3191 1.3852 1.3852 1.4661 1.4661 1.7804 1.7804 10.6859 10.6859 25.5509 25.5509 26.4656 26.4656 26.7157 26.7157 40.7145 40.7145 43.7641 43.7641 k = 0.1433 0.2026 0.3509 ( 552 PWs) bands (ev): 0.2291 0.2291 0.3197 0.3197 1.3889 1.3889 1.4666 1.4666 1.7839 1.7839 10.8685 10.8685 25.3230 25.3230 26.2540 26.2540 26.5103 26.5103 40.8629 40.8629 43.8693 43.8693 k = 0.1461 0.2066 0.3578 ( 553 PWs) bands (ev): 0.2305 0.2305 0.3205 0.3205 1.3921 1.3921 1.4673 1.4673 1.7869 1.7869 11.0545 11.0545 25.0987 25.0987 26.0451 26.0451 26.3070 26.3070 41.0142 41.0142 43.9532 43.9532 k = 0.1489 0.2105 0.3647 ( 553 PWs) bands (ev): 0.2320 0.2320 0.3215 0.3215 1.3947 1.3947 1.4684 1.4684 1.7895 1.7895 11.2440 11.2440 24.8781 24.8781 25.8388 25.8388 26.1059 26.1059 41.1684 41.1684 44.0387 44.0387 k = 0.1517 0.2145 0.3716 ( 553 PWs) bands (ev): 0.2338 0.2338 0.3228 0.3228 1.3968 1.3968 1.4697 1.4697 1.7915 1.7915 11.4370 11.4370 24.6613 24.6613 25.6351 25.6351 25.9069 25.9069 41.3255 41.3255 44.1261 44.1261 k = 0.1545 0.2185 0.3784 ( 559 PWs) bands (ev): 0.2357 0.2357 0.3244 0.3244 1.3983 1.3983 1.4713 1.4713 1.7931 1.7931 11.6333 11.6333 24.4483 24.4483 25.4339 25.4339 25.7101 25.7101 41.4856 41.4856 44.2152 44.2152 k = 0.1573 0.2225 0.3853 ( 559 PWs) bands (ev): 0.2379 0.2379 0.3262 0.3262 1.3993 1.3993 1.4731 1.4731 1.7941 1.7941 11.8330 11.8330 24.2392 24.2392 25.2353 25.2353 25.5155 25.5155 41.6485 41.6485 44.3064 44.3064 k = 0.1601 0.2264 0.3922 ( 559 PWs) bands (ev): 0.2402 0.2402 0.3283 0.3283 1.3997 1.3997 1.4752 1.4752 1.7947 1.7947 12.0360 12.0360 24.0340 24.0340 25.0393 25.0393 25.3232 25.3232 41.8143 41.8143 44.3995 44.3995 k = 0.1629 0.2304 0.3991 ( 559 PWs) bands (ev): 0.2428 0.2428 0.3307 0.3307 1.3995 1.3995 1.4775 1.4775 1.7947 1.7947 12.2423 12.2423 23.8328 23.8328 24.8458 24.8458 25.1332 25.1332 41.9831 41.9831 44.4947 44.4947 k = 0.1657 0.2344 0.4060 ( 559 PWs) bands (ev): 0.2455 0.2455 0.3334 0.3334 1.3987 1.3987 1.4801 1.4801 1.7942 1.7942 12.4518 12.4518 23.6356 23.6356 24.6548 24.6548 24.9454 24.9454 42.1547 42.1547 44.5920 44.5920 k = 0.1685 0.2384 0.4128 ( 559 PWs) bands (ev): 0.2485 0.2485 0.3364 0.3364 1.3973 1.3973 1.4829 1.4829 1.7933 1.7933 12.6645 12.6645 23.4426 23.4426 24.4664 24.4664 24.7599 24.7599 42.3293 42.3293 44.6913 44.6913 k = 0.1713 0.2423 0.4197 ( 559 PWs) bands (ev): 0.2517 0.2517 0.3396 0.3396 1.3953 1.3953 1.4860 1.4860 1.7918 1.7918 12.8804 12.8804 23.2536 23.2536 24.2805 24.2805 24.5766 24.5766 42.5067 42.5067 44.7928 44.7928 k = 0.1742 0.2463 0.4266 ( 559 PWs) bands (ev): 0.2550 0.2550 0.3431 0.3431 1.3926 1.3926 1.4893 1.4893 1.7899 1.7899 13.0994 13.0994 23.0688 23.0688 24.0971 24.0971 24.3958 24.3958 42.6870 42.6870 44.8965 44.8965 k = 0.1770 0.2503 0.4335 ( 556 PWs) bands (ev): 0.2586 0.2586 0.3468 0.3468 1.3894 1.3894 1.4929 1.4929 1.7876 1.7876 13.3216 13.3216 22.8881 22.8881 23.9163 23.9163 24.2172 24.2172 42.8702 42.8702 45.0023 45.0023 k = 0.1798 0.2542 0.4404 ( 556 PWs) bands (ev): 0.2624 0.2624 0.3507 0.3507 1.3856 1.3856 1.4967 1.4967 1.7849 1.7849 13.5467 13.5467 22.7116 22.7116 23.7381 23.7381 24.0410 24.0410 43.0564 43.0564 45.1102 45.1102 k = 0.1826 0.2582 0.4472 ( 556 PWs) bands (ev): 0.2664 0.2664 0.3549 0.3549 1.3811 1.3811 1.5007 1.5007 1.7818 1.7818 13.7749 13.7749 22.5393 22.5393 23.5624 23.5624 23.8672 23.8672 43.2453 43.2453 45.2203 45.2203 k = 0.1854 0.2622 0.4541 ( 547 PWs) bands (ev): 0.2706 0.2706 0.3592 0.3592 1.3761 1.3761 1.5050 1.5050 1.7784 1.7784 14.0060 14.0060 22.3712 22.3712 23.3894 23.3894 23.6958 23.6958 43.4372 43.4372 45.3327 45.3327 k = 0.1882 0.2662 0.4610 ( 547 PWs) bands (ev): 0.2750 0.2750 0.3637 0.3637 1.3704 1.3704 1.5095 1.5095 1.7746 1.7746 14.2399 14.2399 22.2073 22.2073 23.2189 23.2189 23.5268 23.5268 43.6320 43.6320 45.4472 45.4472 k = 0.1910 0.2701 0.4679 ( 553 PWs) bands (ev): 0.2795 0.2795 0.3683 0.3683 1.3642 1.3642 1.5142 1.5142 1.7706 1.7706 14.4768 14.4768 22.0476 22.0476 23.0510 23.0510 23.3602 23.3602 43.8296 43.8296 45.5637 45.5637 k = 0.1938 0.2741 0.4748 ( 553 PWs) bands (ev): 0.2843 0.2843 0.3730 0.3730 1.3575 1.3575 1.5191 1.5191 1.7663 1.7663 14.7164 14.7164 21.8921 21.8921 22.8858 22.8858 23.1961 23.1961 44.0301 44.0301 45.6824 45.6824 k = 0.1966 0.2781 0.4816 ( 553 PWs) bands (ev): 0.2892 0.2892 0.3778 0.3778 1.3503 1.3503 1.5242 1.5242 1.7617 1.7617 14.9588 14.9588 21.7409 21.7409 22.7232 22.7232 23.0345 23.0345 44.2335 44.2335 45.8032 45.8032 k = 0.1994 0.2820 0.4885 ( 553 PWs) bands (ev): 0.2942 0.2942 0.3825 0.3825 1.3426 1.3426 1.5294 1.5294 1.7570 1.7570 15.2039 15.2039 21.5938 21.5938 22.5634 22.5634 22.8754 22.8754 44.4397 44.4397 45.9261 45.9261 k = 0.2022 0.2860 0.4954 ( 553 PWs) bands (ev): 0.2995 0.2995 0.3873 0.3873 1.3345 1.3345 1.5349 1.5349 1.7520 1.7520 15.4517 15.4517 21.4510 21.4510 22.4062 22.4062 22.7189 22.7189 44.6488 44.6488 46.0510 46.0511 k = 0.2051 0.2900 0.5023 ( 547 PWs) bands (ev): 0.3048 0.3048 0.3919 0.3919 1.3261 1.3261 1.5406 1.5406 1.7469 1.7469 15.7020 15.7020 21.3123 21.3123 22.2518 22.2518 22.5649 22.5649 44.8608 44.8608 46.1780 46.1780 k = 0.2079 0.2940 0.5092 ( 547 PWs) bands (ev): 0.3103 0.3103 0.3964 0.3964 1.3174 1.3174 1.5464 1.5464 1.7417 1.7417 15.9548 15.9548 21.1779 21.1779 22.1002 22.1002 22.4135 22.4135 45.0756 45.0756 46.3069 46.3069 k = 0.2107 0.2979 0.5160 ( 547 PWs) bands (ev): 0.3160 0.3160 0.4007 0.4007 1.3085 1.3085 1.5525 1.5525 1.7363 1.7363 16.2099 16.2099 21.0477 21.0477 21.9515 21.9515 22.2647 22.2647 45.2932 45.2932 46.4376 46.4376 k = 0.2135 0.3019 0.5229 ( 541 PWs) bands (ev): 0.3217 0.3217 0.4047 0.4047 1.2995 1.2995 1.5586 1.5586 1.7308 1.7308 16.4674 16.4674 20.9217 20.9217 21.8056 21.8056 22.1186 22.1186 45.5137 45.5137 46.5703 46.5703 k = 0.2163 0.3059 0.5298 ( 541 PWs) bands (ev): 0.3275 0.3275 0.4083 0.4083 1.2905 1.2905 1.5650 1.5650 1.7252 1.7252 16.7271 16.7271 20.7999 20.7999 21.6626 21.6626 21.9751 21.9751 45.7371 45.7371 46.7046 46.7046 k = 0.2191 0.3099 0.5367 ( 541 PWs) bands (ev): 0.3335 0.3335 0.4116 0.4116 1.2816 1.2816 1.5714 1.5714 1.7195 1.7195 16.9886 16.9886 20.6824 20.6824 21.5227 21.5227 21.8343 21.8343 45.9633 45.9633 46.8407 46.8407 k = 0.2219 0.3138 0.5436 ( 541 PWs) bands (ev): 0.3395 0.3395 0.4143 0.4143 1.2730 1.2730 1.5780 1.5780 1.7137 1.7137 17.2520 17.2520 20.5693 20.5693 21.3860 21.3860 21.6962 21.6962 46.1923 46.1923 46.9782 46.9783 k = 0.2247 0.3178 0.5504 ( 541 PWs) bands (ev): 0.3455 0.3455 0.4165 0.4165 1.2647 1.2647 1.5848 1.5848 1.7078 1.7078 17.5167 17.5167 20.4607 20.4607 21.2525 21.2525 21.5609 21.5609 46.4241 46.4241 47.1133 47.1133 k = 0.2275 0.3218 0.5573 ( 541 PWs) bands (ev): 0.3516 0.3516 0.4180 0.4180 1.2568 1.2568 1.5916 1.5916 1.7017 1.7017 17.7825 17.7825 20.3568 20.3568 21.1225 21.1225 21.4284 21.4284 46.6587 46.6587 47.2474 47.2474 k = 0.2303 0.3257 0.5642 ( 541 PWs) bands (ev): 0.3577 0.3577 0.4188 0.4188 1.2495 1.2495 1.5985 1.5985 1.6956 1.6956 18.0484 18.0484 20.2580 20.2580 20.9962 20.9962 21.2987 21.2987 46.8962 46.8962 47.3820 47.3820 k = 0.2331 0.3297 0.5711 ( 544 PWs) bands (ev): 0.3639 0.3639 0.4188 0.4188 1.2429 1.2429 1.6056 1.6056 1.6893 1.6893 18.3134 18.3134 20.1649 20.1649 20.8742 20.8742 21.1719 21.1719 47.1365 47.1365 47.5166 47.5166 k = 0.2360 0.3337 0.5780 ( 544 PWs) bands (ev): 0.3700 0.3700 0.4180 0.4180 1.2371 1.2371 1.6127 1.6127 1.6830 1.6830 18.5753 18.5753 20.0790 20.0790 20.7573 20.7573 21.0479 21.0479 47.3795 47.3795 47.6506 47.6506 k = 0.2388 0.3377 0.5849 ( 544 PWs) bands (ev): 0.3761 0.3761 0.4163 0.4163 1.2322 1.2322 1.6198 1.6198 1.6764 1.6764 18.8297 18.8297 20.0027 20.0027 20.6470 20.6470 20.9269 20.9269 47.6253 47.6254 47.7827 47.7827 k = 0.2416 0.3416 0.5917 ( 544 PWs) bands (ev): 0.3822 0.3822 0.4137 0.4137 1.2282 1.2282 1.6270 1.6270 1.6698 1.6698 19.0676 19.0676 19.9418 19.9418 20.5468 20.5468 20.8088 20.8088 47.8740 47.8740 47.9101 47.9101 k = 0.2444 0.3456 0.5986 ( 544 PWs) bands (ev): 0.3883 0.3883 0.4101 0.4101 1.2254 1.2254 1.6343 1.6343 1.6629 1.6629 19.2681 19.2681 19.9089 19.9089 20.4649 20.4649 20.6937 20.6937 48.0271 48.0271 48.1037 48.1038 k = 0.2472 0.3496 0.6055 ( 544 PWs) bands (ev): 0.3943 0.3943 0.4056 0.4056 1.2236 1.2236 1.6415 1.6415 1.6560 1.6560 19.3942 19.3942 19.9179 19.9179 20.4242 20.4242 20.5816 20.5816 48.1212 48.1212 48.2290 48.2290 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 0.4002 0.4002 0.4002 0.4002 1.2230 1.2230 1.6488 1.6488 1.6488 1.6488 19.4297 19.4297 19.9372 19.9372 20.4725 20.4725 20.4725 20.4725 48.1686 48.1686 48.2929 48.2929 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 0.4002 0.4002 0.4002 0.4002 1.2230 1.2230 1.6488 1.6488 1.6488 1.6488 19.4297 19.4297 19.9372 19.9372 20.4725 20.4725 20.4725 20.4725 48.1686 48.1686 48.2929 48.2929 k = 0.2528 0.3456 0.6124 ( 544 PWs) bands (ev): 0.3939 0.3939 0.4061 0.4061 1.2236 1.2236 1.6414 1.6414 1.6560 1.6560 19.4088 19.4088 19.9104 19.9104 20.3666 20.3666 20.6320 20.6320 48.0624 48.0624 48.1430 48.1430 k = 0.2556 0.3377 0.6124 ( 544 PWs) bands (ev): 0.3867 0.3867 0.4118 0.4118 1.2254 1.2254 1.6339 1.6339 1.6632 1.6632 19.3647 19.3647 19.8466 19.8466 20.2637 20.2637 20.8604 20.8604 47.8107 47.8107 47.8735 47.8735 k = 0.2584 0.3297 0.6124 ( 544 PWs) bands (ev): 0.3787 0.3787 0.4174 0.4174 1.2284 1.2284 1.6261 1.6261 1.6704 1.6704 19.3119 19.3119 19.7677 19.7677 20.1641 20.1641 21.1212 21.1212 47.5215 47.5215 47.5801 47.5801 k = 0.2612 0.3218 0.6124 ( 544 PWs) bands (ev): 0.3700 0.3700 0.4230 0.4230 1.2325 1.2325 1.6182 1.6182 1.6775 1.6775 19.2564 19.2564 19.6835 19.6835 20.0675 20.0675 21.3984 21.3984 47.2200 47.2200 47.2786 47.2786 k = 0.2640 0.3138 0.6124 ( 544 PWs) bands (ev): 0.3607 0.3607 0.4283 0.4283 1.2377 1.2377 1.6100 1.6100 1.6845 1.6845 19.2008 19.2008 19.5983 19.5983 19.9743 19.9743 21.6853 21.6853 46.9126 46.9126 46.9729 46.9729 k = 0.2669 0.3059 0.6124 ( 541 PWs) bands (ev): 0.3509 0.3509 0.4336 0.4336 1.2440 1.2440 1.6016 1.6016 1.6914 1.6914 19.1462 19.1462 19.5138 19.5138 19.8842 19.8842 21.9787 21.9787 46.6019 46.6019 46.6647 46.6647 k = 0.2697 0.2979 0.6124 ( 541 PWs) bands (ev): 0.3406 0.3406 0.4386 0.4386 1.2513 1.2513 1.5929 1.5929 1.6982 1.6982 19.0934 19.0934 19.4312 19.4312 19.7975 19.7975 22.2770 22.2770 46.2891 46.2891 46.3547 46.3547 k = 0.2725 0.2900 0.6124 ( 541 PWs) bands (ev): 0.3300 0.3300 0.4435 0.4435 1.2596 1.2596 1.5840 1.5840 1.7048 1.7048 19.0427 19.0427 19.3508 19.3508 19.7140 19.7140 22.5791 22.5791 45.9748 45.9748 46.0437 46.0437 k = 0.2753 0.2820 0.6124 ( 541 PWs) bands (ev): 0.3192 0.3192 0.4482 0.4482 1.2687 1.2687 1.5748 1.5748 1.7113 1.7113 18.9944 18.9944 19.2732 19.2732 19.6339 19.6339 22.8844 22.8844 45.6597 45.6597 45.7319 45.7319 k = 0.2781 0.2741 0.6124 ( 541 PWs) bands (ev): 0.3083 0.3083 0.4527 0.4527 1.2786 1.2786 1.5654 1.5654 1.7176 1.7176 18.9484 18.9484 19.1984 19.1984 19.5572 19.5572 23.1926 23.1926 45.3441 45.3441 45.4198 45.4198 k = 0.2809 0.2662 0.6124 ( 541 PWs) bands (ev): 0.2974 0.2974 0.4570 0.4570 1.2893 1.2893 1.5557 1.5557 1.7237 1.7237 18.9050 18.9050 19.1266 19.1266 19.4839 19.4839 23.5034 23.5034 45.0283 45.0283 45.1075 45.1075 k = 0.2837 0.2582 0.6124 ( 547 PWs) bands (ev): 0.2866 0.2866 0.4611 0.4611 1.3007 1.3007 1.5457 1.5457 1.7296 1.7296 18.8640 18.8640 19.0580 19.0580 19.4140 19.4140 23.8165 23.8165 44.7126 44.7126 44.7953 44.7953 k = 0.2865 0.2503 0.6124 ( 547 PWs) bands (ev): 0.2760 0.2760 0.4650 0.4650 1.3127 1.3127 1.5355 1.5355 1.7353 1.7353 18.8256 18.8256 18.9927 18.9927 19.3476 19.3476 24.1319 24.1319 44.3973 44.3973 44.4835 44.4835 k = 0.2893 0.2423 0.6124 ( 547 PWs) bands (ev): 0.2658 0.2658 0.4686 0.4686 1.3252 1.3252 1.5250 1.5250 1.7407 1.7407 18.7897 18.7897 18.9307 18.9307 19.2847 19.2847 24.4493 24.4493 44.0825 44.0825 44.1721 44.1721 k = 0.2921 0.2344 0.6124 ( 553 PWs) bands (ev): 0.2559 0.2559 0.4719 0.4719 1.3382 1.3382 1.5142 1.5142 1.7459 1.7459 18.7562 18.7562 18.8723 18.8723 19.2253 19.2253 24.7686 24.7686 43.7683 43.7683 43.8613 43.8613 k = 0.2949 0.2264 0.6124 ( 553 PWs) bands (ev): 0.2465 0.2465 0.4751 0.4751 1.3516 1.3516 1.5032 1.5032 1.7508 1.7508 18.7250 18.7250 18.8174 18.8174 19.1694 19.1694 25.0898 25.0898 43.4550 43.4550 43.5513 43.5513 k = 0.2978 0.2185 0.6124 ( 553 PWs) bands (ev): 0.2376 0.2376 0.4779 0.4779 1.3654 1.3654 1.4919 1.4919 1.7554 1.7554 18.6958 18.6958 18.7665 18.7665 19.1171 19.1171 25.4128 25.4128 43.1426 43.1426 43.2422 43.2422 k = 0.3006 0.2105 0.6124 ( 553 PWs) bands (ev): 0.2294 0.2294 0.4805 0.4805 1.3794 1.3794 1.4805 1.4805 1.7597 1.7597 18.6681 18.6681 18.7201 18.7201 19.0684 19.0684 25.7373 25.7373 42.8312 42.8312 42.9341 42.9341 k = 0.3034 0.2026 0.6124 ( 553 PWs) bands (ev): 0.2218 0.2218 0.4828 0.4828 1.3936 1.3936 1.4689 1.4689 1.7637 1.7637 18.6404 18.6404 18.6797 18.6797 19.0232 19.0232 26.0634 26.0634 42.5211 42.5211 42.6271 42.6271 k = 0.3062 0.1947 0.6124 ( 559 PWs) bands (ev): 0.2150 0.2150 0.4848 0.4848 1.4076 1.4076 1.4574 1.4574 1.7674 1.7674 18.6103 18.6103 18.6476 18.6476 18.9817 18.9817 26.3909 26.3909 42.2121 42.2121 42.3211 42.3211 k = 0.3090 0.1867 0.6124 ( 559 PWs) bands (ev): 0.2090 0.2090 0.4865 0.4865 1.4203 1.4203 1.4472 1.4472 1.7707 1.7707 18.5779 18.5779 18.6239 18.6239 18.9438 18.9438 26.7197 26.7197 41.9045 41.9045 42.0165 42.0165 k = 0.3118 0.1788 0.6124 ( 559 PWs) bands (ev): 0.2039 0.2039 0.4878 0.4878 1.4240 1.4240 1.4459 1.4459 1.7738 1.7738 18.5458 18.5458 18.6057 18.6057 18.9095 18.9095 27.0497 27.0497 41.5983 41.5983 41.7133 41.7133 k = 0.3146 0.1708 0.6124 ( 559 PWs) bands (ev): 0.1996 0.1996 0.4889 0.4889 1.4149 1.4149 1.4573 1.4573 1.7764 1.7764 18.5160 18.5160 18.5914 18.5914 18.8789 18.8789 27.3808 27.3808 41.2936 41.2936 41.4114 41.4114 k = 0.3174 0.1629 0.6124 ( 553 PWs) bands (ev): 0.1962 0.1962 0.4897 0.4897 1.4027 1.4027 1.4717 1.4717 1.7788 1.7788 18.4890 18.4890 18.5800 18.5800 18.8519 18.8519 27.7129 27.7129 40.9905 40.9905 41.1110 41.1110 k = 0.3202 0.1549 0.6124 ( 553 PWs) bands (ev): 0.1937 0.1937 0.4901 0.4901 1.3898 1.3898 1.4866 1.4866 1.7808 1.7808 18.4652 18.4652 18.5715 18.5715 18.8286 18.8286 28.0456 28.0456 40.6889 40.6889 40.8121 40.8121 k = 0.3230 0.1470 0.6124 ( 553 PWs) bands (ev): 0.1922 0.1922 0.4902 0.4902 1.3766 1.3766 1.5018 1.5018 1.7825 1.7825 18.4448 18.4448 18.5655 18.5655 18.8089 18.8089 28.3789 28.3789 40.3891 40.3891 40.5147 40.5147 k = 0.3258 0.1390 0.6124 ( 553 PWs) bands (ev): 0.1917 0.1917 0.4899 0.4899 1.3631 1.3631 1.5171 1.5171 1.7838 1.7838 18.4277 18.4277 18.5620 18.5620 18.7929 18.7929 28.7125 28.7125 40.0909 40.0909 40.2190 40.2190 k = 0.3287 0.1311 0.6124 ( 553 PWs) bands (ev): 0.1921 0.1921 0.4893 0.4893 1.3495 1.3495 1.5325 1.5325 1.7848 1.7848 18.4141 18.4141 18.5610 18.5610 18.7805 18.7805 29.0462 29.0462 39.7945 39.7945 39.9249 39.9249 k = 0.3315 0.1231 0.6124 ( 553 PWs) bands (ev): 0.1934 0.1934 0.4883 0.4883 1.3357 1.3357 1.5478 1.5478 1.7854 1.7854 18.4039 18.4039 18.5625 18.5625 18.7718 18.7718 29.3797 29.3797 39.5000 39.5000 39.6326 39.6326 k = 0.3343 0.1152 0.6124 ( 559 PWs) bands (ev): 0.1957 0.1957 0.4870 0.4870 1.3219 1.3219 1.5631 1.5631 1.7858 1.7858 18.3971 18.3971 18.5663 18.5663 18.7667 18.7667 29.7126 29.7126 39.2072 39.2072 39.3419 39.3419 k = 0.3371 0.1073 0.6124 ( 559 PWs) bands (ev): 0.1989 0.1989 0.4853 0.4853 1.3081 1.3081 1.5784 1.5784 1.7858 1.7858 18.3937 18.3937 18.5727 18.5727 18.7653 18.7653 30.0446 30.0446 38.9165 38.9165 39.0530 39.0530 k = 0.3399 0.0993 0.6124 ( 559 PWs) bands (ev): 0.2030 0.2030 0.4832 0.4832 1.2944 1.2944 1.5936 1.5936 1.7855 1.7855 18.3937 18.3937 18.5814 18.5814 18.7674 18.7674 30.3750 30.3750 38.6277 38.6277 38.7660 38.7660 k = 0.3427 0.0914 0.6124 ( 559 PWs) bands (ev): 0.2080 0.2080 0.4808 0.4808 1.2807 1.2807 1.6087 1.6087 1.7850 1.7850 18.3970 18.3970 18.5926 18.5926 18.7732 18.7732 30.7034 30.7034 38.3409 38.3409 38.4808 38.4808 k = 0.3455 0.0834 0.6124 ( 559 PWs) bands (ev): 0.2137 0.2137 0.4780 0.4780 1.2672 1.2672 1.6237 1.6237 1.7841 1.7841 18.4037 18.4037 18.6062 18.6062 18.7825 18.7825 31.0289 31.0289 38.0562 38.0562 38.1975 38.1975 k = 0.3483 0.0755 0.6124 ( 559 PWs) bands (ev): 0.2202 0.2202 0.4748 0.4748 1.2539 1.2539 1.6386 1.6386 1.7830 1.7830 18.4136 18.4136 18.6223 18.6223 18.7954 18.7954 31.3506 31.3506 37.7737 37.7737 37.9162 37.9162 k = 0.3511 0.0675 0.6124 ( 559 PWs) bands (ev): 0.2273 0.2273 0.4712 0.4712 1.2410 1.2410 1.6533 1.6533 1.7817 1.7817 18.4268 18.4268 18.6408 18.6408 18.8118 18.8118 31.6674 31.6674 37.4933 37.4933 37.6368 37.6368 k = 0.3539 0.0596 0.6124 ( 565 PWs) bands (ev): 0.2351 0.2351 0.4672 0.4672 1.2284 1.2284 1.6680 1.6680 1.7801 1.7801 18.4432 18.4432 18.6619 18.6619 18.8317 18.8317 31.9778 31.9778 37.2151 37.2151 37.3592 37.3592 k = 0.3567 0.0516 0.6124 ( 565 PWs) bands (ev): 0.2433 0.2433 0.4629 0.4629 1.2163 1.2163 1.6825 1.6825 1.7783 1.7783 18.4627 18.4627 18.6854 18.6854 18.8551 18.8551 32.2800 32.2800 36.9394 36.9394 37.0838 37.0838 k = 0.3596 0.0437 0.6124 ( 565 PWs) bands (ev): 0.2519 0.2519 0.4582 0.4582 1.2047 1.2047 1.6968 1.6968 1.7764 1.7764 18.4853 18.4853 18.7115 18.7115 18.8819 18.8819 32.5716 32.5716 36.6662 36.6662 36.8104 36.8104 k = 0.3624 0.0358 0.6124 ( 559 PWs) bands (ev): 0.2608 0.2608 0.4530 0.4530 1.1939 1.1939 1.7110 1.7110 1.7742 1.7742 18.5109 18.5109 18.7402 18.7402 18.9121 18.9121 32.8497 32.8497 36.3957 36.3957 36.5391 36.5391 k = 0.3652 0.0278 0.6124 ( 559 PWs) bands (ev): 0.2699 0.2699 0.4476 0.4476 1.1838 1.1838 1.7250 1.7250 1.7719 1.7719 18.5394 18.5394 18.7715 18.7715 18.9457 18.9457 33.1104 33.1104 36.1279 36.1279 36.2699 36.2699 k = 0.3680 0.0199 0.6124 ( 559 PWs) bands (ev): 0.2790 0.2790 0.4417 0.4417 1.1747 1.1747 1.7389 1.7389 1.7695 1.7695 18.5708 18.5708 18.8054 18.8054 18.9825 18.9825 33.3489 33.3489 35.8633 35.8633 36.0029 36.0029 k = 0.3708 0.0119 0.6124 ( 559 PWs) bands (ev): 0.2879 0.2879 0.4355 0.4355 1.1666 1.1666 1.7526 1.7526 1.7669 1.7669 18.6050 18.6050 18.8421 18.8421 19.0227 19.0227 33.5595 33.5595 35.6023 35.6023 35.7380 35.7380 k = 0.3736 0.0040 0.6124 ( 559 PWs) bands (ev): 0.2966 0.2966 0.4289 0.4289 1.1597 1.1597 1.7643 1.7643 1.7661 1.7661 18.6418 18.6418 18.8815 18.8815 19.0660 19.0660 33.7352 33.7352 35.3457 35.3457 35.4753 35.4753 k = 0.3764-0.0040 0.6124 ( 559 PWs) bands (ev): 0.3048 0.3048 0.4220 0.4220 1.1542 1.1542 1.7616 1.7616 1.7795 1.7795 18.6813 18.6813 18.9236 18.9236 19.1126 19.1126 33.8679 33.8679 35.0948 35.0948 35.2148 35.2148 k = 0.3792-0.0119 0.6124 ( 559 PWs) bands (ev): 0.3125 0.3125 0.4147 0.4147 1.1500 1.1500 1.7588 1.7588 1.7927 1.7927 18.7234 18.7234 18.9686 18.9686 19.1622 19.1622 33.9491 33.9491 34.8522 34.8522 34.9566 34.9566 k = 0.3820-0.0199 0.6124 ( 559 PWs) bands (ev): 0.3194 0.3194 0.4071 0.4071 1.1475 1.1475 1.7559 1.7559 1.8058 1.8058 18.7678 18.7678 19.0164 19.0164 19.2149 19.2149 33.9698 33.9698 34.6223 34.6223 34.7007 34.7007 k = 0.3848-0.0278 0.6124 ( 559 PWs) bands (ev): 0.3255 0.3255 0.3992 0.3992 1.1467 1.1467 1.7531 1.7531 1.8186 1.8186 18.8147 18.8147 19.0671 19.0671 19.2706 19.2706 33.9212 33.9212 34.4126 34.4126 34.4471 34.4471 k = 0.3876-0.0358 0.6124 ( 559 PWs) bands (ev): 0.3305 0.3305 0.3910 0.3910 1.1476 1.1476 1.7502 1.7502 1.8313 1.8313 18.8638 18.8638 19.1207 19.1207 19.3292 19.3292 33.8009 33.8009 34.1959 34.1959 34.2275 34.2275 k = 0.3904-0.0437 0.6124 ( 559 PWs) bands (ev): 0.3343 0.3343 0.3825 0.3825 1.1504 1.1504 1.7474 1.7474 1.8439 1.8439 18.9151 18.9151 19.1772 19.1772 19.3908 19.3908 33.6240 33.6240 33.9471 33.9471 34.0564 34.0564 k = 0.3933-0.0516 0.6124 ( 559 PWs) bands (ev): 0.3370 0.3370 0.3737 0.3737 1.1551 1.1551 1.7446 1.7446 1.8562 1.8562 18.9687 18.9687 19.2366 19.2366 19.4551 19.4551 33.4154 33.4154 33.7008 33.7008 33.8809 33.8809 k = 0.3961-0.0596 0.6124 ( 553 PWs) bands (ev): 0.3384 0.3384 0.3648 0.3648 1.1618 1.1618 1.7418 1.7418 1.8684 1.8684 19.0243 19.0243 19.2990 19.2990 19.5221 19.5221 33.1923 33.1923 33.4570 33.4570 33.6908 33.6908 k = 0.3989-0.0675 0.6124 ( 553 PWs) bands (ev): 0.3385 0.3385 0.3556 0.3556 1.1703 1.1703 1.7390 1.7390 1.8805 1.8805 19.0819 19.0819 19.3642 19.3642 19.5918 19.5918 32.9629 32.9629 33.2157 33.2157 33.4843 33.4843 k = 0.4017-0.0755 0.6124 ( 553 PWs) bands (ev): 0.3373 0.3373 0.3461 0.3461 1.1808 1.1808 1.7364 1.7364 1.8923 1.8923 19.1416 19.1416 19.4323 19.4323 19.6641 19.6641 32.7312 32.7312 32.9770 32.9770 33.2632 33.2632 k = 0.4045-0.0834 0.6124 ( 553 PWs) bands (ev): 0.3349 0.3349 0.3366 0.3366 1.1929 1.1929 1.7337 1.7337 1.9041 1.9041 19.2033 19.2033 19.5032 19.5032 19.7388 19.7388 32.4991 32.4991 32.7409 32.7409 33.0303 33.0303 k = 0.4073-0.0914 0.6124 ( 553 PWs) bands (ev): 0.3268 0.3268 0.3312 0.3312 1.2068 1.2068 1.7312 1.7312 1.9156 1.9156 19.2668 19.2668 19.5768 19.5768 19.8159 19.8159 32.2675 32.2675 32.5075 32.5075 32.7885 32.7885 k = 0.4101-0.0993 0.6124 ( 553 PWs) bands (ev): 0.3170 0.3170 0.3264 0.3264 1.2222 1.2222 1.7288 1.7288 1.9271 1.9271 19.3323 19.3323 19.6532 19.6532 19.8954 19.8954 32.0368 32.0368 32.2769 32.2769 32.5403 32.5403 k = 0.4129-0.1073 0.6124 ( 553 PWs) bands (ev): 0.3070 0.3070 0.3206 0.3206 1.2390 1.2390 1.7264 1.7264 1.9383 1.9383 19.3997 19.3997 19.7321 19.7321 19.9770 19.9770 31.8074 31.8074 32.0492 32.0492 32.2881 32.2881 k = 0.4157-0.1152 0.6124 ( 541 PWs) bands (ev): 0.2970 0.2970 0.3139 0.3139 1.2570 1.2570 1.7241 1.7241 1.9495 1.9495 19.4689 19.4689 19.8136 19.8136 20.0607 20.0607 31.5793 31.5793 31.8244 31.8244 32.0337 32.0337 k = 0.4185-0.1231 0.6124 ( 541 PWs) bands (ev): 0.2869 0.2869 0.3063 0.3063 1.2761 1.2761 1.7220 1.7220 1.9605 1.9605 19.5399 19.5399 19.8975 19.8975 20.1464 20.1464 31.3522 31.3522 31.6025 31.6025 31.7789 31.7789 k = 0.4213-0.1311 0.6124 ( 541 PWs) bands (ev): 0.2769 0.2769 0.2981 0.2981 1.2960 1.2960 1.7199 1.7199 1.9713 1.9713 19.6126 19.6126 19.9838 19.9838 20.2340 20.2340 31.1258 31.1258 31.3838 31.3838 31.5254 31.5254 k = 0.4242-0.1390 0.6124 ( 541 PWs) bands (ev): 0.2668 0.2668 0.2892 0.2892 1.3167 1.3167 1.7179 1.7179 1.9821 1.9821 19.6871 19.6871 20.0723 20.0723 20.3233 20.3233 30.8996 30.8996 31.1682 31.1682 31.2749 31.2749 k = 0.4270-0.1470 0.6124 ( 541 PWs) bands (ev): 0.2568 0.2568 0.2798 0.2798 1.3379 1.3379 1.7161 1.7161 1.9927 1.9927 19.7631 19.7631 20.1629 20.1629 20.4141 20.4141 30.6729 30.6729 30.9560 30.9560 31.0289 31.0289 k = 0.4298-0.1549 0.6124 ( 547 PWs) bands (ev): 0.2469 0.2469 0.2701 0.2701 1.3594 1.3594 1.7143 1.7143 2.0031 2.0031 19.8407 19.8407 20.2555 20.2555 20.5064 20.5064 30.4452 30.4452 30.7471 30.7471 30.7890 30.7890 k = 0.4326-0.1629 0.6124 ( 547 PWs) bands (ev): 0.2370 0.2370 0.2601 0.2601 1.3812 1.3812 1.7127 1.7127 2.0135 2.0135 19.9198 19.9198 20.3499 20.3499 20.5999 20.5999 30.2157 30.2157 30.5419 30.5419 30.5566 30.5566 k = 0.4354-0.1708 0.6124 ( 547 PWs) bands (ev): 0.2274 0.2274 0.2499 0.2499 1.4030 1.4030 1.7111 1.7111 2.0237 2.0237 20.0001 20.0001 20.4462 20.4462 20.6946 20.6946 29.9845 29.9845 30.3325 30.3325 30.3403 30.3403 k = 0.4382-0.1788 0.6124 ( 547 PWs) bands (ev): 0.2178 0.2178 0.2396 0.2396 1.4248 1.4248 1.7097 1.7097 2.0337 2.0337 20.0816 20.0816 20.5440 20.5440 20.7901 20.7901 29.7517 29.7517 30.1171 30.1171 30.1427 30.1427 k = 0.4410-0.1867 0.6124 ( 547 PWs) bands (ev): 0.2085 0.2085 0.2293 0.2293 1.4463 1.4463 1.7084 1.7084 2.0436 2.0436 20.1641 20.1641 20.6432 20.6432 20.8862 20.8862 29.5182 29.5182 29.9102 29.9102 29.9491 29.9491 k = 0.4438-0.1947 0.6124 ( 547 PWs) bands (ev): 0.1994 0.1994 0.2190 0.2190 1.4674 1.4674 1.7071 1.7071 2.0534 2.0534 20.2474 20.2474 20.7437 20.7437 20.9828 20.9828 29.2850 29.2850 29.7114 29.7114 29.7598 29.7598 k = 0.4466-0.2026 0.6124 ( 547 PWs) bands (ev): 0.1905 0.1905 0.2089 0.2089 1.4880 1.4880 1.7060 1.7060 2.0630 2.0630 20.3313 20.3313 20.8453 20.8453 21.0796 21.0796 29.0534 29.0534 29.5204 29.5204 29.5751 29.5751 k = 0.4494-0.2105 0.6124 ( 547 PWs) bands (ev): 0.1819 0.1819 0.1990 0.1990 1.5081 1.5081 1.7049 1.7049 2.0724 2.0724 20.4155 20.4155 20.9478 20.9478 21.1762 21.1762 28.8242 28.8242 29.3366 29.3366 29.3951 29.3951 k = 0.4522-0.2185 0.6124 ( 547 PWs) bands (ev): 0.1737 0.1737 0.1893 0.1893 1.5275 1.5275 1.7039 1.7039 2.0816 2.0816 20.4996 20.4996 21.0508 21.0508 21.2724 21.2724 28.5986 28.5986 29.1601 29.1601 29.2202 29.2202 k = 0.4551-0.2264 0.6124 ( 547 PWs) bands (ev): 0.1657 0.1657 0.1799 0.1799 1.5460 1.5460 1.7030 1.7030 2.0906 2.0906 20.5835 20.5835 21.1543 21.1543 21.3677 21.3677 28.3774 28.3774 28.9905 28.9905 29.0508 29.0508 k = 0.4579-0.2344 0.6124 ( 547 PWs) bands (ev): 0.1581 0.1581 0.1708 0.1708 1.5638 1.5638 1.7022 1.7022 2.0994 2.0994 20.6666 20.6666 21.2577 21.2577 21.4619 21.4619 28.1613 28.1613 28.8282 28.8282 28.8871 28.8871 k = 0.4607-0.2423 0.6124 ( 547 PWs) bands (ev): 0.1509 0.1509 0.1622 0.1622 1.5805 1.5805 1.7015 1.7015 2.1078 2.1078 20.7485 20.7485 21.3609 21.3609 21.5545 21.5545 27.9512 27.9512 28.6731 28.6731 28.7297 28.7297 k = 0.4635-0.2503 0.6124 ( 544 PWs) bands (ev): 0.1441 0.1441 0.1540 0.1540 1.5963 1.5963 1.7008 1.7008 2.1160 2.1160 20.8287 20.8287 21.4633 21.4633 21.6449 21.6449 27.7478 27.7478 28.5256 28.5256 28.5789 28.5789 k = 0.4663-0.2582 0.6124 ( 544 PWs) bands (ev): 0.1377 0.1377 0.1462 0.1462 1.6110 1.6110 1.7002 1.7002 2.1238 2.1238 20.9068 20.9068 21.5644 21.5644 21.7328 21.7328 27.5519 27.5519 28.3860 28.3860 28.4353 28.4353 k = 0.4691-0.2662 0.6124 ( 544 PWs) bands (ev): 0.1317 0.1317 0.1390 0.1390 1.6247 1.6247 1.6997 1.6997 2.1312 2.1312 20.9821 20.9821 21.6637 21.6637 21.8174 21.8174 27.3644 27.3644 28.2548 28.2548 28.2994 28.2994 k = 0.4719-0.2741 0.6124 ( 556 PWs) bands (ev): 0.1262 0.1262 0.1323 0.1323 1.6372 1.6372 1.6992 1.6992 2.1381 2.1381 21.0541 21.0541 21.7604 21.7604 21.8982 21.8982 27.1863 27.1863 28.1322 28.1322 28.1717 28.1717 k = 0.4747-0.2820 0.6124 ( 556 PWs) bands (ev): 0.1212 0.1212 0.1262 0.1262 1.6485 1.6485 1.6988 1.6988 2.1446 2.1446 21.1220 21.1220 21.8538 21.8538 21.9745 21.9745 27.0185 27.0185 28.0190 28.0190 28.0531 28.0531 k = 0.4775-0.2900 0.6124 ( 556 PWs) bands (ev): 0.1166 0.1166 0.1206 0.1206 1.6587 1.6587 1.6984 1.6984 2.1506 2.1506 21.1853 21.1853 21.9427 21.9427 22.0456 22.0456 26.8624 26.8624 27.9156 27.9156 27.9442 27.9442 k = 0.4803-0.2979 0.6124 ( 556 PWs) bands (ev): 0.1126 0.1126 0.1156 0.1156 1.6677 1.6677 1.6981 1.6981 2.1559 2.1559 21.2432 21.2432 22.0262 22.0262 22.1107 22.1107 26.7192 26.7192 27.8227 27.8227 27.8458 27.8458 k = 0.4831-0.3059 0.6124 ( 565 PWs) bands (ev): 0.1091 0.1091 0.1113 0.1113 1.6755 1.6755 1.6979 1.6979 2.1607 2.1607 21.2951 21.2951 22.1029 22.1029 22.1692 22.1692 26.5904 26.5904 27.7405 27.7405 27.7583 27.7583 k = 0.4860-0.3138 0.6124 ( 565 PWs) bands (ev): 0.1061 0.1061 0.1076 0.1076 1.6821 1.6821 1.6976 1.6976 2.1648 2.1648 21.3403 21.3403 22.1714 22.1714 22.2203 22.2203 26.4775 26.4775 27.6700 27.6700 27.6829 27.6829 k = 0.4888-0.3218 0.6124 ( 571 PWs) bands (ev): 0.1036 0.1036 0.1046 0.1046 1.6875 1.6875 1.6975 1.6975 2.1682 2.1682 21.3783 21.3783 22.2303 22.2303 22.2632 22.2632 26.3821 26.3821 27.6113 27.6113 27.6199 27.6199 k = 0.4916-0.3297 0.6124 ( 583 PWs) bands (ev): 0.1017 0.1017 0.1022 0.1022 1.6917 1.6917 1.6973 1.6973 2.1709 2.1709 21.4084 21.4084 22.2780 22.2780 22.2973 22.2973 26.3058 26.3058 27.5651 27.5651 27.5700 27.5700 k = 0.4944-0.3377 0.6124 ( 586 PWs) bands (ev): 0.1003 0.1003 0.1005 0.1005 1.6948 1.6948 1.6972 1.6972 2.1728 2.1728 21.4302 21.4302 22.3133 22.3133 22.3221 22.3221 26.2502 26.2502 27.5319 27.5319 27.5342 27.5342 k = 0.4972-0.3456 0.6124 ( 586 PWs) bands (ev): 0.0995 0.0995 0.0995 0.0995 1.6966 1.6966 1.6972 1.6972 2.1740 2.1740 21.4434 21.4434 22.3349 22.3349 22.3372 22.3372 26.2163 26.2163 27.5119 27.5119 27.5125 27.5125 k = 0.5000-0.3536 0.6124 ( 586 PWs) bands (ev): 0.0992 0.0992 0.0992 0.0992 1.6972 1.6972 1.6972 1.6972 2.1743 2.1743 21.4479 21.4479 22.3422 22.3422 22.3422 22.3422 26.2049 26.2049 27.5052 27.5052 27.5052 27.5052 k = 0.2500 0.3536 0.6124 ( 544 PWs) bands (ev): 0.4002 0.4002 0.4002 0.4002 1.2230 1.2230 1.6488 1.6488 1.6488 1.6488 19.4297 19.4297 19.9372 19.9372 20.4725 20.4725 20.4725 20.4725 48.1686 48.1686 48.2929 48.2929 k = 0.2451 0.3466 0.6124 ( 544 PWs) bands (ev): 0.3940 0.3940 0.4059 0.4059 1.2236 1.2236 1.6414 1.6414 1.6560 1.6560 19.4028 19.4028 19.9076 19.9076 20.4023 20.4023 20.6053 20.6053 48.0902 48.0902 48.1672 48.1672 k = 0.2402 0.3397 0.6124 ( 544 PWs) bands (ev): 0.3874 0.3874 0.4110 0.4110 1.2254 1.2254 1.6340 1.6340 1.6632 1.6632 19.3320 19.3320 19.8159 19.8159 20.4202 20.4202 20.7678 20.7678 47.8312 47.8312 47.9908 47.9908 k = 0.2353 0.3328 0.6124 ( 544 PWs) bands (ev): 0.3803 0.3803 0.4156 0.4156 1.2284 1.2284 1.6264 1.6264 1.6703 1.6703 19.2349 19.2349 19.6812 19.6812 20.5051 20.5051 20.9445 20.9445 47.5091 47.5091 47.8398 47.8398 k = 0.2304 0.3258 0.6124 ( 544 PWs) bands (ev): 0.3729 0.3729 0.4196 0.4196 1.2325 1.2325 1.6188 1.6188 1.6772 1.6772 19.1241 19.1241 19.5277 19.5277 20.6262 20.6262 21.1294 21.1294 47.1800 47.1800 47.6895 47.6895 k = 0.2255 0.3189 0.6124 ( 544 PWs) bands (ev): 0.3651 0.3651 0.4229 0.4229 1.2378 1.2378 1.6110 1.6110 1.6841 1.6841 19.0069 19.0069 19.3671 19.3671 20.7674 20.7674 21.3197 21.3197 46.8501 46.8501 47.5404 47.5404 k = 0.2206 0.3120 0.6124 ( 544 PWs) bands (ev): 0.3571 0.3571 0.4256 0.4256 1.2441 1.2441 1.6032 1.6032 1.6909 1.6909 18.8867 18.8867 19.2046 19.2046 20.9213 20.9213 21.5141 21.5141 46.5208 46.5208 47.3930 47.3930 k = 0.2157 0.3050 0.6124 ( 540 PWs) bands (ev): 0.3488 0.3488 0.4277 0.4277 1.2515 1.2515 1.5954 1.5954 1.6977 1.6977 18.7655 18.7655 19.0426 19.0426 21.0840 21.0840 21.7118 21.7118 46.1926 46.1926 47.2478 47.2478 k = 0.2108 0.2981 0.6124 ( 540 PWs) bands (ev): 0.3403 0.3403 0.4291 0.4291 1.2598 1.2598 1.5875 1.5875 1.7044 1.7044 18.6441 18.6441 18.8829 18.8829 21.2538 21.2538 21.9124 21.9124 45.8659 45.8659 47.1047 47.1047 k = 0.2059 0.2912 0.6124 ( 540 PWs) bands (ev): 0.3317 0.3317 0.4298 0.4298 1.2690 1.2690 1.5795 1.5795 1.7111 1.7111 18.5223 18.5223 18.7268 18.7268 21.4293 21.4293 22.1156 22.1156 45.5408 45.5408 46.9636 46.9636 k = 0.2010 0.2842 0.6124 ( 540 PWs) bands (ev): 0.3229 0.3229 0.4299 0.4299 1.2790 1.2790 1.5716 1.5716 1.7178 1.7178 18.3996 18.3996 18.5759 18.5759 21.6100 21.6100 22.3212 22.3212 45.2174 45.2174 46.8239 46.8239 k = 0.1961 0.2773 0.6124 ( 540 PWs) bands (ev): 0.3141 0.3141 0.4293 0.4293 1.2898 1.2898 1.5636 1.5636 1.7245 1.7245 18.2743 18.2743 18.4323 18.4323 21.7952 21.7952 22.5291 22.5291 44.8956 44.8956 46.6843 46.6843 k = 0.1912 0.2704 0.6124 ( 542 PWs) bands (ev): 0.3052 0.3052 0.4281 0.4281 1.3012 1.3012 1.5557 1.5557 1.7312 1.7312 18.1448 18.1448 18.2982 18.2982 21.9847 21.9847 22.7390 22.7390 44.5754 44.5754 46.5402 46.5402 k = 0.1863 0.2634 0.6124 ( 542 PWs) bands (ev): 0.2964 0.2964 0.4263 0.4263 1.3131 1.3131 1.5479 1.5479 1.7381 1.7381 18.0103 18.0103 18.1745 18.1745 22.1783 22.1783 22.9511 22.9511 44.2570 44.2570 46.3763 46.3763 k = 0.1814 0.2565 0.6124 ( 548 PWs) bands (ev): 0.2875 0.2875 0.4239 0.4239 1.3254 1.3254 1.5402 1.5402 1.7450 1.7450 17.8723 17.8723 18.0600 18.0600 22.3756 22.3756 23.1650 23.1650 43.9402 43.9402 46.1637 46.1637 k = 0.1765 0.2496 0.6124 ( 548 PWs) bands (ev): 0.2787 0.2787 0.4208 0.4208 1.3380 1.3380 1.5326 1.5326 1.7521 1.7521 17.7327 17.7327 17.9529 17.9529 22.5766 22.5766 23.3808 23.3808 43.6252 43.6252 45.9071 45.9071 k = 0.1716 0.2426 0.6124 ( 548 PWs) bands (ev): 0.2700 0.2700 0.4173 0.4173 1.3508 1.3508 1.5253 1.5253 1.7594 1.7594 17.5933 17.5933 17.8517 17.8517 22.7811 22.7811 23.5984 23.5984 43.3118 43.3118 45.6279 45.6279 k = 0.1667 0.2357 0.6124 ( 552 PWs) bands (ev): 0.2614 0.2614 0.4132 0.4132 1.3635 1.3635 1.5182 1.5182 1.7669 1.7669 17.4551 17.4551 17.7552 17.7552 22.9889 22.9889 23.8177 23.8177 43.0000 43.0000 45.3354 45.3354 k = 0.1618 0.2288 0.6124 ( 552 PWs) bands (ev): 0.2529 0.2529 0.4086 0.4086 1.3761 1.3761 1.5116 1.5116 1.7746 1.7746 17.3189 17.3189 17.6630 17.6630 23.1999 23.1999 24.0387 24.0387 42.6901 42.6901 45.0332 45.0332 k = 0.1569 0.2218 0.6124 ( 552 PWs) bands (ev): 0.2446 0.2446 0.4036 0.4036 1.3882 1.3882 1.5054 1.5054 1.7826 1.7826 17.1851 17.1851 17.5746 17.5746 23.4140 23.4140 24.2613 24.2613 42.3818 42.3818 44.7237 44.7237 k = 0.1520 0.2149 0.6124 ( 552 PWs) bands (ev): 0.2364 0.2364 0.3982 0.3982 1.3995 1.3995 1.5001 1.5001 1.7910 1.7910 17.0540 17.0540 17.4898 17.4898 23.6310 23.6310 24.4854 24.4854 42.0752 42.0752 44.4082 44.4082 k = 0.1471 0.2080 0.6124 ( 556 PWs) bands (ev): 0.2284 0.2284 0.3924 0.3924 1.4096 1.4096 1.4959 1.4959 1.7997 1.7997 16.9259 16.9259 17.4084 17.4084 23.8509 23.8509 24.7109 24.7109 41.7703 41.7703 44.0880 44.0880 k = 0.1422 0.2010 0.6124 ( 556 PWs) bands (ev): 0.2206 0.2206 0.3862 0.3862 1.4178 1.4178 1.4934 1.4934 1.8088 1.8088 16.8008 16.8008 17.3303 17.3303 24.0734 24.0734 24.9379 24.9379 41.4672 41.4672 43.7643 43.7643 k = 0.1373 0.1941 0.6124 ( 556 PWs) bands (ev): 0.2130 0.2130 0.3798 0.3798 1.4236 1.4236 1.4931 1.4931 1.8183 1.8183 16.6789 16.6789 17.2555 17.2555 24.2985 24.2985 25.1661 25.1661 41.1658 41.1658 43.4378 43.4378 k = 0.1324 0.1872 0.6124 ( 552 PWs) bands (ev): 0.2056 0.2056 0.3731 0.3731 1.4265 1.4265 1.4955 1.4955 1.8283 1.8283 16.5604 16.5604 17.1838 17.1838 24.5259 24.5259 25.3957 25.3957 40.8663 40.8663 43.1095 43.1095 k = 0.1275 0.1802 0.6124 ( 552 PWs) bands (ev): 0.1984 0.1984 0.3661 0.3661 1.4267 1.4267 1.5002 1.5002 1.8386 1.8386 16.4453 16.4453 17.1152 17.1152 24.7555 24.7555 25.6263 25.6263 40.5687 40.5687 42.7799 42.7799 k = 0.1225 0.1733 0.6124 ( 552 PWs) bands (ev): 0.1915 0.1915 0.3591 0.3591 1.4249 1.4249 1.5067 1.5067 1.8494 1.8494 16.3338 16.3338 17.0496 17.0496 24.9871 24.9871 25.8579 25.8579 40.2729 40.2729 42.4498 42.4498 k = 0.1176 0.1664 0.6124 ( 552 PWs) bands (ev): 0.1847 0.1847 0.3518 0.3518 1.4217 1.4217 1.5140 1.5140 1.8605 1.8605 16.2259 16.2259 16.9870 16.9870 25.2204 25.2204 26.0904 26.0904 39.9791 39.9791 42.1197 42.1197 k = 0.1127 0.1594 0.6124 ( 556 PWs) bands (ev): 0.1783 0.1783 0.3445 0.3445 1.4177 1.4177 1.5217 1.5217 1.8721 1.8721 16.1216 16.1216 16.9273 16.9273 25.4553 25.4553 26.3238 26.3238 39.6874 39.6874 41.7901 41.7901 k = 0.1078 0.1525 0.6124 ( 552 PWs) bands (ev): 0.1720 0.1720 0.3372 0.3372 1.4133 1.4133 1.5293 1.5293 1.8839 1.8839 16.0212 16.0212 16.8705 16.8705 25.6915 25.6915 26.5578 26.5578 39.3979 39.3979 41.4619 41.4619 k = 0.1029 0.1456 0.6124 ( 552 PWs) bands (ev): 0.1660 0.1660 0.3299 0.3299 1.4088 1.4088 1.5368 1.5368 1.8960 1.8960 15.9246 15.9246 16.8166 16.8166 25.9287 25.9287 26.7922 26.7922 39.1107 39.1107 41.1355 41.1355 k = 0.0980 0.1386 0.6124 ( 556 PWs) bands (ev): 0.1603 0.1603 0.3226 0.3226 1.4041 1.4041 1.5438 1.5438 1.9082 1.9082 15.8319 15.8319 16.7655 16.7655 26.1665 26.1665 27.0270 27.0270 38.8260 38.8260 40.8115 40.8115 k = 0.0931 0.1317 0.6124 ( 556 PWs) bands (ev): 0.1548 0.1548 0.3154 0.3154 1.3995 1.3995 1.5504 1.5504 1.9206 1.9206 15.7433 15.7433 16.7171 16.7171 26.4046 26.4046 27.2619 27.2619 38.5439 38.5439 40.4903 40.4903 k = 0.0882 0.1248 0.6124 ( 560 PWs) bands (ev): 0.1495 0.1495 0.3083 0.3083 1.3951 1.3951 1.5566 1.5566 1.9330 1.9330 15.6587 15.6587 16.6714 16.6714 26.6425 26.6425 27.4965 27.4965 38.2646 38.2646 40.1725 40.1725 k = 0.0833 0.1179 0.6124 ( 560 PWs) bands (ev): 0.1445 0.1445 0.3014 0.3014 1.3907 1.3907 1.5623 1.5623 1.9453 1.9453 15.5782 15.5782 16.6285 16.6285 26.8798 26.8798 27.7308 27.7308 37.9886 37.9886 39.8590 39.8590 k = 0.0784 0.1109 0.6124 ( 560 PWs) bands (ev): 0.1398 0.1398 0.2946 0.2946 1.3865 1.3865 1.5675 1.5675 1.9575 1.9575 15.5020 15.5020 16.5881 16.5881 27.1160 27.1160 27.9642 27.9642 37.7161 37.7161 39.5504 39.5504 k = 0.0735 0.1040 0.6124 ( 560 PWs) bands (ev): 0.1353 0.1353 0.2881 0.2881 1.3826 1.3826 1.5722 1.5722 1.9695 1.9695 15.4300 15.4300 16.5504 16.5504 27.3502 27.3502 28.1964 28.1964 37.4475 37.4475 39.2473 39.2473 k = 0.0686 0.0971 0.6124 ( 556 PWs) bands (ev): 0.1311 0.1311 0.2819 0.2819 1.3788 1.3788 1.5765 1.5765 1.9811 1.9811 15.3624 15.3624 16.5153 16.5153 27.5819 27.5819 28.4268 28.4268 37.1833 37.1833 38.9507 38.9507 k = 0.0637 0.0901 0.6124 ( 556 PWs) bands (ev): 0.1271 0.1271 0.2760 0.2760 1.3753 1.3753 1.5804 1.5804 1.9923 1.9923 15.2991 15.2991 16.4828 16.4828 27.8100 27.8100 28.6549 28.6549 36.9240 36.9240 38.6616 38.6616 k = 0.0588 0.0832 0.6124 ( 556 PWs) bands (ev): 0.1234 0.1234 0.2704 0.2704 1.3720 1.3720 1.5838 1.5838 2.0030 2.0030 15.2403 15.2403 16.4528 16.4528 28.0336 28.0336 28.8798 28.8798 36.6705 36.6705 38.3811 38.3811 k = 0.0539 0.0763 0.6124 ( 556 PWs) bands (ev): 0.1200 0.1200 0.2652 0.2652 1.3690 1.3690 1.5869 1.5869 2.0132 2.0132 15.1860 15.1860 16.4253 16.4253 28.2515 28.2515 29.1006 29.1006 36.4235 36.4235 38.1104 38.1104 k = 0.0490 0.0693 0.6124 ( 558 PWs) bands (ev): 0.1169 0.1169 0.2603 0.2603 1.3662 1.3662 1.5897 1.5897 2.0227 2.0227 15.1362 15.1362 16.4002 16.4002 28.4623 28.4623 29.3162 29.3162 36.1843 36.1843 37.8512 37.8512 k = 0.0441 0.0624 0.6124 ( 554 PWs) bands (ev): 0.1140 0.1140 0.2559 0.2559 1.3637 1.3637 1.5921 1.5921 2.0316 2.0316 15.0910 15.0910 16.3776 16.3776 28.6643 28.6643 29.5252 29.5252 35.9542 35.9542 37.6051 37.6051 k = 0.0392 0.0555 0.6124 ( 554 PWs) bands (ev): 0.1114 0.1114 0.2518 0.2518 1.3614 1.3614 1.5942 1.5942 2.0396 2.0396 15.0504 15.0504 16.3575 16.3575 28.8555 28.8555 29.7257 29.7257 35.7350 35.7350 37.3741 37.3741 k = 0.0343 0.0485 0.6124 ( 554 PWs) bands (ev): 0.1091 0.1091 0.2482 0.2482 1.3594 1.3594 1.5960 1.5960 2.0469 2.0469 15.0146 15.0146 16.3397 16.3397 29.0338 29.0338 29.9156 29.9156 35.5287 35.5287 37.1603 37.1603 k = 0.0294 0.0416 0.6124 ( 554 PWs) bands (ev): 0.1071 0.1071 0.2451 0.2451 1.3576 1.3576 1.5976 1.5976 2.0533 2.0533 14.9834 14.9834 16.3244 16.3244 29.1968 29.1968 30.0921 30.0921 35.3381 35.3381 36.9666 36.9666 k = 0.0245 0.0347 0.6124 ( 554 PWs) bands (ev): 0.1054 0.1054 0.2424 0.2424 1.3562 1.3562 1.5989 1.5989 2.0588 2.0588 14.9570 14.9570 16.3114 16.3114 29.3417 29.3417 30.2521 30.2521 35.1663 35.1663 36.7955 36.7955 k = 0.0196 0.0277 0.6124 ( 554 PWs) bands (ev): 0.1040 0.1040 0.2402 0.2402 1.3550 1.3550 1.5999 1.5999 2.0633 2.0633 14.9353 14.9353 16.3009 16.3009 29.4656 29.4656 30.3917 30.3917 35.0171 35.0171 36.6500 36.6500 k = 0.0147 0.0208 0.6124 ( 554 PWs) bands (ev): 0.1029 0.1029 0.2385 0.2385 1.3540 1.3540 1.6007 1.6007 2.0668 2.0668 14.9185 14.9185 16.2926 16.2926 29.5658 29.5658 30.5068 30.5068 34.8945 34.8945 36.5331 36.5331 k = 0.0098 0.0139 0.6124 ( 546 PWs) bands (ev): 0.1022 0.1022 0.2373 0.2373 1.3533 1.3533 1.6013 1.6013 2.0694 2.0694 14.9064 14.9064 16.2868 16.2868 29.6396 29.6396 30.5930 30.5930 34.8031 34.8031 36.4473 36.4473 k = 0.0049 0.0069 0.6124 ( 546 PWs) bands (ev): 0.1017 0.1017 0.2365 0.2365 1.3529 1.3529 1.6016 1.6016 2.0709 2.0709 14.8992 14.8992 16.2833 16.2833 29.6849 29.6849 30.6466 30.6466 34.7464 34.7464 36.3949 36.3949 k = 0.0000 0.0000 0.6124 ( 546 PWs) bands (ev): 0.1015 0.1015 0.2363 0.2363 1.3528 1.3528 1.6017 1.6017 2.0714 2.0714 14.8968 14.8968 16.2821 16.2821 29.7001 29.7001 30.6648 30.6648 34.7272 34.7272 36.3772 36.3772 Writing output data file Sn.save init_run : 0.05s CPU 2.87s WALL ( 1 calls) electrons : 31.22s CPU 32.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 31.22s CPU 32.38s 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 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 481 calls) cegterg : 28.60s CPU 29.42s WALL ( 551 calls) Called by sum_band: Called by *egterg: h_psi : 11.15s CPU 11.50s WALL ( 7569 calls) s_psi : 0.36s CPU 0.39s WALL ( 7569 calls) g_psi : 0.03s CPU 0.02s WALL ( 6537 calls) cdiaghg : 16.51s CPU 16.98s WALL ( 7018 calls) cegterg:over : 0.81s CPU 0.82s WALL ( 6537 calls) cegterg:upda : 0.57s CPU 0.63s WALL ( 6537 calls) cegterg:last : 0.32s CPU 0.31s WALL ( 1267 calls) cdiaghg:chol : 0.80s CPU 0.88s WALL ( 7018 calls) cdiaghg:inve : 0.17s CPU 0.18s WALL ( 7018 calls) cdiaghg:para : 1.18s CPU 1.18s WALL ( 14036 calls) Called by h_psi: h_psi:vloc : 10.26s CPU 10.52s WALL ( 7569 calls) h_psi:vnl : 0.87s CPU 0.96s WALL ( 7569 calls) add_vuspsi : 0.52s CPU 0.51s WALL ( 7569 calls) General routines calbec : 0.35s CPU 0.43s WALL ( 7569 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.83s CPU 10.02s WALL ( 362404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.20s WALL ( 962 calls) Parallel routines fft_scatter : 6.33s CPU 6.31s WALL ( 362427 calls) PWSCF : 0m38.50s CPU 1m15.01s WALL This run was terminated on: 21:17:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=