Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19: 2 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: ./Ti.save/ 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 19 19 6 318 318 53 Max 20 20 7 321 321 56 Sum 693 693 217 11489 11489 1985 bravais-lattice index = 14 lattice parameter (alat) = 5.3712 a.u. unit-cell volume = 119.2840 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.371159 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 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= 452 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0052083 -0.0036828 0.0063789), wk = 0.0022124 k( 3) = ( 0.0104167 -0.0073657 0.0127578), wk = 0.0022124 k( 4) = ( 0.0156250 -0.0110485 0.0191366), wk = 0.0022124 k( 5) = ( 0.0208333 -0.0147314 0.0255155), wk = 0.0022124 k( 6) = ( 0.0260417 -0.0184142 0.0318944), wk = 0.0022124 k( 7) = ( 0.0312500 -0.0220971 0.0382733), wk = 0.0022124 k( 8) = ( 0.0364583 -0.0257799 0.0446522), wk = 0.0022124 k( 9) = ( 0.0416667 -0.0294628 0.0510310), wk = 0.0022124 k( 10) = ( 0.0468750 -0.0331456 0.0574099), wk = 0.0022124 k( 11) = ( 0.0520833 -0.0368285 0.0637888), wk = 0.0022124 k( 12) = ( 0.0572917 -0.0405113 0.0701677), wk = 0.0022124 k( 13) = ( 0.0625000 -0.0441942 0.0765466), wk = 0.0022124 k( 14) = ( 0.0677083 -0.0478770 0.0829254), wk = 0.0022124 k( 15) = ( 0.0729167 -0.0515599 0.0893043), wk = 0.0022124 k( 16) = ( 0.0781250 -0.0552427 0.0956832), wk = 0.0022124 k( 17) = ( 0.0833333 -0.0589256 0.1020621), wk = 0.0022124 k( 18) = ( 0.0885417 -0.0626084 0.1084410), wk = 0.0022124 k( 19) = ( 0.0937500 -0.0662913 0.1148198), wk = 0.0022124 k( 20) = ( 0.0989583 -0.0699741 0.1211987), wk = 0.0022124 k( 21) = ( 0.1041667 -0.0736570 0.1275776), wk = 0.0022124 k( 22) = ( 0.1093750 -0.0773398 0.1339565), wk = 0.0022124 k( 23) = ( 0.1145833 -0.0810226 0.1403353), wk = 0.0022124 k( 24) = ( 0.1197917 -0.0847055 0.1467142), wk = 0.0022124 k( 25) = ( 0.1250000 -0.0883883 0.1530931), wk = 0.0022124 k( 26) = ( 0.1302083 -0.0920712 0.1594720), wk = 0.0022124 k( 27) = ( 0.1354167 -0.0957540 0.1658509), wk = 0.0022124 k( 28) = ( 0.1406250 -0.0994369 0.1722297), wk = 0.0022124 k( 29) = ( 0.1458333 -0.1031197 0.1786086), wk = 0.0022124 k( 30) = ( 0.1510417 -0.1068026 0.1849875), wk = 0.0022124 k( 31) = ( 0.1562500 -0.1104854 0.1913664), wk = 0.0022124 k( 32) = ( 0.1614583 -0.1141683 0.1977453), wk = 0.0022124 k( 33) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0022124 k( 34) = ( 0.1718750 -0.1215340 0.2105030), wk = 0.0022124 k( 35) = ( 0.1770833 -0.1252168 0.2168819), wk = 0.0022124 k( 36) = ( 0.1822917 -0.1288997 0.2232608), wk = 0.0022124 k( 37) = ( 0.1875000 -0.1325825 0.2296397), wk = 0.0022124 k( 38) = ( 0.1927083 -0.1362654 0.2360185), wk = 0.0022124 k( 39) = ( 0.1979167 -0.1399482 0.2423974), wk = 0.0022124 k( 40) = ( 0.2031250 -0.1436311 0.2487763), wk = 0.0022124 k( 41) = ( 0.2083333 -0.1473139 0.2551552), wk = 0.0022124 k( 42) = ( 0.2135417 -0.1509968 0.2615341), wk = 0.0022124 k( 43) = ( 0.2187500 -0.1546796 0.2679129), wk = 0.0022124 k( 44) = ( 0.2239583 -0.1583625 0.2742918), wk = 0.0022124 k( 45) = ( 0.2291667 -0.1620453 0.2806707), wk = 0.0022124 k( 46) = ( 0.2343750 -0.1657282 0.2870496), wk = 0.0022124 k( 47) = ( 0.2395833 -0.1694110 0.2934285), wk = 0.0022124 k( 48) = ( 0.2447917 -0.1730938 0.2998073), wk = 0.0022124 k( 49) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0022124 k( 50) = ( 0.2552083 -0.1804595 0.3125651), wk = 0.0022124 k( 51) = ( 0.2604167 -0.1841424 0.3189440), wk = 0.0022124 k( 52) = ( 0.2656250 -0.1878252 0.3253229), wk = 0.0022124 k( 53) = ( 0.2708333 -0.1915081 0.3317017), wk = 0.0022124 k( 54) = ( 0.2760417 -0.1951909 0.3380806), wk = 0.0022124 k( 55) = ( 0.2812500 -0.1988738 0.3444595), wk = 0.0022124 k( 56) = ( 0.2864583 -0.2025566 0.3508384), wk = 0.0022124 k( 57) = ( 0.2916667 -0.2062395 0.3572173), wk = 0.0022124 k( 58) = ( 0.2968750 -0.2099223 0.3635961), wk = 0.0022124 k( 59) = ( 0.3020833 -0.2136052 0.3699750), wk = 0.0022124 k( 60) = ( 0.3072917 -0.2172880 0.3763539), wk = 0.0022124 k( 61) = ( 0.3125000 -0.2209709 0.3827328), wk = 0.0022124 k( 62) = ( 0.3177083 -0.2246537 0.3891116), wk = 0.0022124 k( 63) = ( 0.3229167 -0.2283366 0.3954905), wk = 0.0022124 k( 64) = ( 0.3281250 -0.2320194 0.4018694), wk = 0.0022124 k( 65) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0022124 k( 66) = ( 0.3385417 -0.2393851 0.4146272), wk = 0.0022124 k( 67) = ( 0.3437500 -0.2430680 0.4210060), wk = 0.0022124 k( 68) = ( 0.3489583 -0.2467508 0.4273849), wk = 0.0022124 k( 69) = ( 0.3541667 -0.2504337 0.4337638), wk = 0.0022124 k( 70) = ( 0.3593750 -0.2541165 0.4401427), wk = 0.0022124 k( 71) = ( 0.3645833 -0.2577993 0.4465216), wk = 0.0022124 k( 72) = ( 0.3697917 -0.2614822 0.4529005), wk = 0.0022124 k( 73) = ( 0.3750000 -0.2651650 0.4592793), wk = 0.0022124 k( 74) = ( 0.3802083 -0.2688479 0.4656582), wk = 0.0022124 k( 75) = ( 0.3854167 -0.2725307 0.4720371), wk = 0.0022124 k( 76) = ( 0.3906250 -0.2762136 0.4784160), wk = 0.0022124 k( 77) = ( 0.3958333 -0.2798964 0.4847948), wk = 0.0022124 k( 78) = ( 0.4010417 -0.2835793 0.4911737), wk = 0.0022124 k( 79) = ( 0.4062500 -0.2872621 0.4975526), wk = 0.0022124 k( 80) = ( 0.4114583 -0.2909450 0.5039315), wk = 0.0022124 k( 81) = ( 0.4166667 -0.2946278 0.5103104), wk = 0.0022124 k( 82) = ( 0.4218750 -0.2983107 0.5166892), wk = 0.0022124 k( 83) = ( 0.4270833 -0.3019935 0.5230681), wk = 0.0022124 k( 84) = ( 0.4322917 -0.3056764 0.5294470), wk = 0.0022124 k( 85) = ( 0.4375000 -0.3093592 0.5358259), wk = 0.0022124 k( 86) = ( 0.4427083 -0.3130421 0.5422048), wk = 0.0022124 k( 87) = ( 0.4479167 -0.3167249 0.5485836), wk = 0.0022124 k( 88) = ( 0.4531250 -0.3204078 0.5549625), wk = 0.0022124 k( 89) = ( 0.4583333 -0.3240906 0.5613414), wk = 0.0022124 k( 90) = ( 0.4635417 -0.3277735 0.5677203), wk = 0.0022124 k( 91) = ( 0.4687500 -0.3314563 0.5740992), wk = 0.0022124 k( 92) = ( 0.4739583 -0.3351391 0.5804780), wk = 0.0022124 k( 93) = ( 0.4791667 -0.3388220 0.5868569), wk = 0.0022124 k( 94) = ( 0.4843750 -0.3425048 0.5932358), wk = 0.0022124 k( 95) = ( 0.4895833 -0.3461877 0.5996147), wk = 0.0022124 k( 96) = ( 0.4947917 -0.3498705 0.6059936), wk = 0.0022124 k( 97) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0022124 k( 98) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0022124 k( 99) = ( 0.4926471 -0.3483541 0.6123724), wk = 0.0022124 k( 100) = ( 0.4852941 -0.3431548 0.6123724), wk = 0.0022124 k( 101) = ( 0.4779412 -0.3379554 0.6123724), wk = 0.0022124 k( 102) = ( 0.4705882 -0.3327561 0.6123724), wk = 0.0022124 k( 103) = ( 0.4632353 -0.3275568 0.6123724), wk = 0.0022124 k( 104) = ( 0.4558823 -0.3223575 0.6123724), wk = 0.0022124 k( 105) = ( 0.4485294 -0.3171582 0.6123724), wk = 0.0022124 k( 106) = ( 0.4411765 -0.3119589 0.6123724), wk = 0.0022124 k( 107) = ( 0.4338235 -0.3067596 0.6123724), wk = 0.0022124 k( 108) = ( 0.4264706 -0.3015602 0.6123724), wk = 0.0022124 k( 109) = ( 0.4191177 -0.2963609 0.6123724), wk = 0.0022124 k( 110) = ( 0.4117647 -0.2911616 0.6123724), wk = 0.0022124 k( 111) = ( 0.4044118 -0.2859623 0.6123724), wk = 0.0022124 k( 112) = ( 0.3970588 -0.2807630 0.6123724), wk = 0.0022124 k( 113) = ( 0.3897059 -0.2755637 0.6123724), wk = 0.0022124 k( 114) = ( 0.3823529 -0.2703644 0.6123724), wk = 0.0022124 k( 115) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0022124 k( 116) = ( 0.3676471 -0.2599657 0.6123724), wk = 0.0022124 k( 117) = ( 0.3602941 -0.2547664 0.6123724), wk = 0.0022124 k( 118) = ( 0.3529412 -0.2495671 0.6123724), wk = 0.0022124 k( 119) = ( 0.3455882 -0.2443678 0.6123724), wk = 0.0022124 k( 120) = ( 0.3382353 -0.2391685 0.6123724), wk = 0.0022124 k( 121) = ( 0.3308823 -0.2339692 0.6123724), wk = 0.0022124 k( 122) = ( 0.3235294 -0.2287698 0.6123724), wk = 0.0022124 k( 123) = ( 0.3161765 -0.2235705 0.6123724), wk = 0.0022124 k( 124) = ( 0.3088235 -0.2183712 0.6123724), wk = 0.0022124 k( 125) = ( 0.3014706 -0.2131719 0.6123724), wk = 0.0022124 k( 126) = ( 0.2941177 -0.2079726 0.6123724), wk = 0.0022124 k( 127) = ( 0.2867647 -0.2027733 0.6123724), wk = 0.0022124 k( 128) = ( 0.2794118 -0.1975740 0.6123724), wk = 0.0022124 k( 129) = ( 0.2720588 -0.1923746 0.6123724), wk = 0.0022124 k( 130) = ( 0.2647059 -0.1871753 0.6123724), wk = 0.0022124 k( 131) = ( 0.2573529 -0.1819760 0.6123724), wk = 0.0022124 k( 132) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0022124 k( 133) = ( 0.2426471 -0.1715774 0.6123724), wk = 0.0022124 k( 134) = ( 0.2352941 -0.1663781 0.6123724), wk = 0.0022124 k( 135) = ( 0.2279412 -0.1611788 0.6123724), wk = 0.0022124 k( 136) = ( 0.2205882 -0.1559794 0.6123724), wk = 0.0022124 k( 137) = ( 0.2132353 -0.1507801 0.6123724), wk = 0.0022124 k( 138) = ( 0.2058823 -0.1455808 0.6123724), wk = 0.0022124 k( 139) = ( 0.1985294 -0.1403815 0.6123724), wk = 0.0022124 k( 140) = ( 0.1911765 -0.1351822 0.6123724), wk = 0.0022124 k( 141) = ( 0.1838235 -0.1299829 0.6123724), wk = 0.0022124 k( 142) = ( 0.1764706 -0.1247836 0.6123724), wk = 0.0022124 k( 143) = ( 0.1691177 -0.1195842 0.6123724), wk = 0.0022124 k( 144) = ( 0.1617647 -0.1143849 0.6123724), wk = 0.0022124 k( 145) = ( 0.1544118 -0.1091856 0.6123724), wk = 0.0022124 k( 146) = ( 0.1470588 -0.1039863 0.6123724), wk = 0.0022124 k( 147) = ( 0.1397059 -0.0987870 0.6123724), wk = 0.0022124 k( 148) = ( 0.1323529 -0.0935877 0.6123724), wk = 0.0022124 k( 149) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0022124 k( 150) = ( 0.1176471 -0.0831890 0.6123724), wk = 0.0022124 k( 151) = ( 0.1102941 -0.0779897 0.6123724), wk = 0.0022124 k( 152) = ( 0.1029412 -0.0727904 0.6123724), wk = 0.0022124 k( 153) = ( 0.0955882 -0.0675911 0.6123724), wk = 0.0022124 k( 154) = ( 0.0882353 -0.0623918 0.6123724), wk = 0.0022124 k( 155) = ( 0.0808824 -0.0571925 0.6123724), wk = 0.0022124 k( 156) = ( 0.0735294 -0.0519931 0.6123724), wk = 0.0022124 k( 157) = ( 0.0661765 -0.0467938 0.6123724), wk = 0.0022124 k( 158) = ( 0.0588235 -0.0415945 0.6123724), wk = 0.0022124 k( 159) = ( 0.0514706 -0.0363952 0.6123724), wk = 0.0022124 k( 160) = ( 0.0441177 -0.0311959 0.6123724), wk = 0.0022124 k( 161) = ( 0.0367647 -0.0259966 0.6123724), wk = 0.0022124 k( 162) = ( 0.0294118 -0.0207973 0.6123724), wk = 0.0022124 k( 163) = ( 0.0220588 -0.0155979 0.6123724), wk = 0.0022124 k( 164) = ( 0.0147059 -0.0103986 0.6123724), wk = 0.0022124 k( 165) = ( 0.0073529 -0.0051993 0.6123724), wk = 0.0022124 k( 166) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0022124 k( 167) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0022124 k( 168) = ( 0.0000000 0.0000000 0.6033670), wk = 0.0022124 k( 169) = ( 0.0000000 0.0000000 0.5943615), wk = 0.0022124 k( 170) = ( 0.0000000 0.0000000 0.5853560), wk = 0.0022124 k( 171) = ( 0.0000000 0.0000000 0.5763505), wk = 0.0022124 k( 172) = ( 0.0000000 0.0000000 0.5673450), wk = 0.0022124 k( 173) = ( 0.0000000 0.0000000 0.5583396), wk = 0.0022124 k( 174) = ( 0.0000000 0.0000000 0.5493341), wk = 0.0022124 k( 175) = ( 0.0000000 0.0000000 0.5403286), wk = 0.0022124 k( 176) = ( 0.0000000 0.0000000 0.5313231), wk = 0.0022124 k( 177) = ( 0.0000000 0.0000000 0.5223177), wk = 0.0022124 k( 178) = ( 0.0000000 0.0000000 0.5133122), wk = 0.0022124 k( 179) = ( 0.0000000 0.0000000 0.5043067), wk = 0.0022124 k( 180) = ( 0.0000000 0.0000000 0.4953012), wk = 0.0022124 k( 181) = ( 0.0000000 0.0000000 0.4862958), wk = 0.0022124 k( 182) = ( 0.0000000 0.0000000 0.4772903), wk = 0.0022124 k( 183) = ( 0.0000000 0.0000000 0.4682848), wk = 0.0022124 k( 184) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0022124 k( 185) = ( 0.0000000 0.0000000 0.4502739), wk = 0.0022124 k( 186) = ( 0.0000000 0.0000000 0.4412684), wk = 0.0022124 k( 187) = ( 0.0000000 0.0000000 0.4322629), wk = 0.0022124 k( 188) = ( 0.0000000 0.0000000 0.4232574), wk = 0.0022124 k( 189) = ( 0.0000000 0.0000000 0.4142519), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.4052465), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.3962410), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.3872355), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.3782300), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.3692246), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.3602191), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.3512136), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.3422081), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.3332026), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.3241972), wk = 0.0022124 k( 200) = ( 0.0000000 0.0000000 0.3151917), wk = 0.0022124 k( 201) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0022124 k( 202) = ( 0.0000000 0.0000000 0.2971807), wk = 0.0022124 k( 203) = ( 0.0000000 0.0000000 0.2881753), wk = 0.0022124 k( 204) = ( 0.0000000 0.0000000 0.2791698), wk = 0.0022124 k( 205) = ( 0.0000000 0.0000000 0.2701643), wk = 0.0022124 k( 206) = ( 0.0000000 0.0000000 0.2611588), wk = 0.0022124 k( 207) = ( 0.0000000 0.0000000 0.2521534), wk = 0.0022124 k( 208) = ( 0.0000000 0.0000000 0.2431479), wk = 0.0022124 k( 209) = ( 0.0000000 0.0000000 0.2341424), wk = 0.0022124 k( 210) = ( 0.0000000 0.0000000 0.2251369), wk = 0.0022124 k( 211) = ( 0.0000000 0.0000000 0.2161315), wk = 0.0022124 k( 212) = ( 0.0000000 0.0000000 0.2071260), wk = 0.0022124 k( 213) = ( 0.0000000 0.0000000 0.1981205), wk = 0.0022124 k( 214) = ( 0.0000000 0.0000000 0.1891150), wk = 0.0022124 k( 215) = ( 0.0000000 0.0000000 0.1801095), wk = 0.0022124 k( 216) = ( 0.0000000 0.0000000 0.1711041), wk = 0.0022124 k( 217) = ( 0.0000000 0.0000000 0.1620986), wk = 0.0022124 k( 218) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0022124 k( 219) = ( 0.0000000 0.0000000 0.1440876), wk = 0.0022124 k( 220) = ( 0.0000000 0.0000000 0.1350822), wk = 0.0022124 k( 221) = ( 0.0000000 0.0000000 0.1260767), wk = 0.0022124 k( 222) = ( 0.0000000 0.0000000 0.1170712), wk = 0.0022124 k( 223) = ( 0.0000000 0.0000000 0.1080657), wk = 0.0022124 k( 224) = ( 0.0000000 0.0000000 0.0990602), wk = 0.0022124 k( 225) = ( 0.0000000 0.0000000 0.0900548), wk = 0.0022124 k( 226) = ( 0.0000000 0.0000000 0.0810493), wk = 0.0022124 k( 227) = ( 0.0000000 0.0000000 0.0720438), wk = 0.0022124 k( 228) = ( 0.0000000 0.0000000 0.0630383), wk = 0.0022124 k( 229) = ( 0.0000000 0.0000000 0.0540329), wk = 0.0022124 k( 230) = ( 0.0000000 0.0000000 0.0450274), wk = 0.0022124 k( 231) = ( 0.0000000 0.0000000 0.0360219), wk = 0.0022124 k( 232) = ( 0.0000000 0.0000000 0.0270164), wk = 0.0022124 k( 233) = ( 0.0000000 0.0000000 0.0180110), wk = 0.0022124 k( 234) = ( 0.0000000 0.0000000 0.0090055), wk = 0.0022124 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 237) = ( 0.0030121 0.0042597 0.0073780), wk = 0.0022124 k( 238) = ( 0.0060241 0.0085194 0.0147560), wk = 0.0022124 k( 239) = ( 0.0090361 0.0127790 0.0221339), wk = 0.0022124 k( 240) = ( 0.0120482 0.0170387 0.0295119), wk = 0.0022124 k( 241) = ( 0.0150602 0.0212984 0.0368899), wk = 0.0022124 k( 242) = ( 0.0180723 0.0255581 0.0442679), wk = 0.0022124 k( 243) = ( 0.0210843 0.0298178 0.0516459), wk = 0.0022124 k( 244) = ( 0.0240964 0.0340774 0.0590239), wk = 0.0022124 k( 245) = ( 0.0271084 0.0383371 0.0664018), wk = 0.0022124 k( 246) = ( 0.0301205 0.0425968 0.0737798), wk = 0.0022124 k( 247) = ( 0.0331325 0.0468565 0.0811578), wk = 0.0022124 k( 248) = ( 0.0361446 0.0511162 0.0885358), wk = 0.0022124 k( 249) = ( 0.0391566 0.0553758 0.0959138), wk = 0.0022124 k( 250) = ( 0.0421687 0.0596355 0.1032917), wk = 0.0022124 k( 251) = ( 0.0451807 0.0638952 0.1106697), wk = 0.0022124 k( 252) = ( 0.0481928 0.0681549 0.1180477), wk = 0.0022124 k( 253) = ( 0.0512048 0.0724146 0.1254257), wk = 0.0022124 k( 254) = ( 0.0542169 0.0766742 0.1328037), wk = 0.0022124 k( 255) = ( 0.0572289 0.0809339 0.1401817), wk = 0.0022124 k( 256) = ( 0.0602410 0.0851936 0.1475596), wk = 0.0022124 k( 257) = ( 0.0632530 0.0894533 0.1549376), wk = 0.0022124 k( 258) = ( 0.0662651 0.0937129 0.1623156), wk = 0.0022124 k( 259) = ( 0.0692771 0.0979726 0.1696936), wk = 0.0022124 k( 260) = ( 0.0722892 0.1022323 0.1770716), wk = 0.0022124 k( 261) = ( 0.0753012 0.1064920 0.1844495), wk = 0.0022124 k( 262) = ( 0.0783133 0.1107517 0.1918275), wk = 0.0022124 k( 263) = ( 0.0813253 0.1150113 0.1992055), wk = 0.0022124 k( 264) = ( 0.0843374 0.1192710 0.2065835), wk = 0.0022124 k( 265) = ( 0.0873494 0.1235307 0.2139615), wk = 0.0022124 k( 266) = ( 0.0903614 0.1277904 0.2213394), wk = 0.0022124 k( 267) = ( 0.0933735 0.1320501 0.2287174), wk = 0.0022124 k( 268) = ( 0.0963855 0.1363097 0.2360954), wk = 0.0022124 k( 269) = ( 0.0993976 0.1405694 0.2434734), wk = 0.0022124 k( 270) = ( 0.1024096 0.1448291 0.2508514), wk = 0.0022124 k( 271) = ( 0.1054217 0.1490888 0.2582293), wk = 0.0022124 k( 272) = ( 0.1084337 0.1533485 0.2656073), wk = 0.0022124 k( 273) = ( 0.1114458 0.1576081 0.2729853), wk = 0.0022124 k( 274) = ( 0.1144578 0.1618678 0.2803633), wk = 0.0022124 k( 275) = ( 0.1174699 0.1661275 0.2877413), wk = 0.0022124 k( 276) = ( 0.1204819 0.1703872 0.2951193), wk = 0.0022124 k( 277) = ( 0.1234940 0.1746469 0.3024972), wk = 0.0022124 k( 278) = ( 0.1265060 0.1789065 0.3098752), wk = 0.0022124 k( 279) = ( 0.1295181 0.1831662 0.3172532), wk = 0.0022124 k( 280) = ( 0.1325301 0.1874259 0.3246312), wk = 0.0022124 k( 281) = ( 0.1355422 0.1916856 0.3320092), wk = 0.0022124 k( 282) = ( 0.1385542 0.1959453 0.3393871), wk = 0.0022124 k( 283) = ( 0.1415663 0.2002049 0.3467651), wk = 0.0022124 k( 284) = ( 0.1445783 0.2044646 0.3541431), wk = 0.0022124 k( 285) = ( 0.1475904 0.2087243 0.3615211), wk = 0.0022124 k( 286) = ( 0.1506024 0.2129840 0.3688991), wk = 0.0022124 k( 287) = ( 0.1536145 0.2172437 0.3762770), wk = 0.0022124 k( 288) = ( 0.1566265 0.2215033 0.3836550), wk = 0.0022124 k( 289) = ( 0.1596385 0.2257630 0.3910330), wk = 0.0022124 k( 290) = ( 0.1626506 0.2300227 0.3984110), wk = 0.0022124 k( 291) = ( 0.1656626 0.2342824 0.4057890), wk = 0.0022124 k( 292) = ( 0.1686747 0.2385420 0.4131669), wk = 0.0022124 k( 293) = ( 0.1716867 0.2428017 0.4205449), wk = 0.0022124 k( 294) = ( 0.1746988 0.2470614 0.4279229), wk = 0.0022124 k( 295) = ( 0.1777108 0.2513211 0.4353009), wk = 0.0022124 k( 296) = ( 0.1807229 0.2555808 0.4426789), wk = 0.0022124 k( 297) = ( 0.1837349 0.2598404 0.4500569), wk = 0.0022124 k( 298) = ( 0.1867470 0.2641001 0.4574348), wk = 0.0022124 k( 299) = ( 0.1897590 0.2683598 0.4648128), wk = 0.0022124 k( 300) = ( 0.1927711 0.2726195 0.4721908), wk = 0.0022124 k( 301) = ( 0.1957831 0.2768792 0.4795688), wk = 0.0022124 k( 302) = ( 0.1987952 0.2811388 0.4869468), wk = 0.0022124 k( 303) = ( 0.2018072 0.2853985 0.4943247), wk = 0.0022124 k( 304) = ( 0.2048193 0.2896582 0.5017027), wk = 0.0022124 k( 305) = ( 0.2078313 0.2939179 0.5090807), wk = 0.0022124 k( 306) = ( 0.2108434 0.2981776 0.5164587), wk = 0.0022124 k( 307) = ( 0.2138554 0.3024372 0.5238367), wk = 0.0022124 k( 308) = ( 0.2168675 0.3066969 0.5312146), wk = 0.0022124 k( 309) = ( 0.2198795 0.3109566 0.5385926), wk = 0.0022124 k( 310) = ( 0.2228916 0.3152163 0.5459706), wk = 0.0022124 k( 311) = ( 0.2259036 0.3194759 0.5533486), wk = 0.0022124 k( 312) = ( 0.2289157 0.3237356 0.5607266), wk = 0.0022124 k( 313) = ( 0.2319277 0.3279953 0.5681045), wk = 0.0022124 k( 314) = ( 0.2349398 0.3322550 0.5754825), wk = 0.0022124 k( 315) = ( 0.2379518 0.3365147 0.5828605), wk = 0.0022124 k( 316) = ( 0.2409639 0.3407744 0.5902385), wk = 0.0022124 k( 317) = ( 0.2439759 0.3450340 0.5976165), wk = 0.0022124 k( 318) = ( 0.2469880 0.3492937 0.6049945), wk = 0.0022124 k( 319) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0022124 k( 320) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0022124 k( 321) = ( 0.2530120 0.3450340 0.6123724), wk = 0.0022124 k( 322) = ( 0.2560241 0.3365147 0.6123724), wk = 0.0022124 k( 323) = ( 0.2590361 0.3279953 0.6123724), wk = 0.0022124 k( 324) = ( 0.2620482 0.3194760 0.6123724), wk = 0.0022124 k( 325) = ( 0.2650602 0.3109566 0.6123724), wk = 0.0022124 k( 326) = ( 0.2680723 0.3024372 0.6123724), wk = 0.0022124 k( 327) = ( 0.2710843 0.2939179 0.6123724), wk = 0.0022124 k( 328) = ( 0.2740964 0.2853985 0.6123724), wk = 0.0022124 k( 329) = ( 0.2771084 0.2768792 0.6123724), wk = 0.0022124 k( 330) = ( 0.2801205 0.2683598 0.6123724), wk = 0.0022124 k( 331) = ( 0.2831325 0.2598404 0.6123724), wk = 0.0022124 k( 332) = ( 0.2861446 0.2513211 0.6123724), wk = 0.0022124 k( 333) = ( 0.2891566 0.2428017 0.6123724), wk = 0.0022124 k( 334) = ( 0.2921687 0.2342824 0.6123724), wk = 0.0022124 k( 335) = ( 0.2951807 0.2257630 0.6123724), wk = 0.0022124 k( 336) = ( 0.2981928 0.2172437 0.6123724), wk = 0.0022124 k( 337) = ( 0.3012048 0.2087243 0.6123724), wk = 0.0022124 k( 338) = ( 0.3042169 0.2002049 0.6123724), wk = 0.0022124 k( 339) = ( 0.3072289 0.1916856 0.6123724), wk = 0.0022124 k( 340) = ( 0.3102410 0.1831662 0.6123724), wk = 0.0022124 k( 341) = ( 0.3132530 0.1746469 0.6123724), wk = 0.0022124 k( 342) = ( 0.3162651 0.1661275 0.6123724), wk = 0.0022124 k( 343) = ( 0.3192771 0.1576081 0.6123724), wk = 0.0022124 k( 344) = ( 0.3222892 0.1490888 0.6123724), wk = 0.0022124 k( 345) = ( 0.3253012 0.1405694 0.6123724), wk = 0.0022124 k( 346) = ( 0.3283133 0.1320501 0.6123724), wk = 0.0022124 k( 347) = ( 0.3313253 0.1235307 0.6123724), wk = 0.0022124 k( 348) = ( 0.3343373 0.1150113 0.6123724), wk = 0.0022124 k( 349) = ( 0.3373494 0.1064920 0.6123724), wk = 0.0022124 k( 350) = ( 0.3403615 0.0979726 0.6123724), wk = 0.0022124 k( 351) = ( 0.3433735 0.0894533 0.6123724), wk = 0.0022124 k( 352) = ( 0.3463855 0.0809339 0.6123724), wk = 0.0022124 k( 353) = ( 0.3493976 0.0724146 0.6123724), wk = 0.0022124 k( 354) = ( 0.3524096 0.0638952 0.6123724), wk = 0.0022124 k( 355) = ( 0.3554217 0.0553758 0.6123724), wk = 0.0022124 k( 356) = ( 0.3584337 0.0468565 0.6123724), wk = 0.0022124 k( 357) = ( 0.3614458 0.0383371 0.6123724), wk = 0.0022124 k( 358) = ( 0.3644578 0.0298178 0.6123724), wk = 0.0022124 k( 359) = ( 0.3674699 0.0212984 0.6123724), wk = 0.0022124 k( 360) = ( 0.3704819 0.0127790 0.6123724), wk = 0.0022124 k( 361) = ( 0.3734940 0.0042597 0.6123724), wk = 0.0022124 k( 362) = ( 0.3765060 -0.0042597 0.6123724), wk = 0.0022124 k( 363) = ( 0.3795181 -0.0127790 0.6123724), wk = 0.0022124 k( 364) = ( 0.3825301 -0.0212984 0.6123724), wk = 0.0022124 k( 365) = ( 0.3855422 -0.0298178 0.6123724), wk = 0.0022124 k( 366) = ( 0.3885542 -0.0383371 0.6123724), wk = 0.0022124 k( 367) = ( 0.3915663 -0.0468565 0.6123724), wk = 0.0022124 k( 368) = ( 0.3945783 -0.0553758 0.6123724), wk = 0.0022124 k( 369) = ( 0.3975904 -0.0638952 0.6123724), wk = 0.0022124 k( 370) = ( 0.4006024 -0.0724146 0.6123724), wk = 0.0022124 k( 371) = ( 0.4036145 -0.0809339 0.6123724), wk = 0.0022124 k( 372) = ( 0.4066265 -0.0894533 0.6123724), wk = 0.0022124 k( 373) = ( 0.4096385 -0.0979726 0.6123724), wk = 0.0022124 k( 374) = ( 0.4126506 -0.1064920 0.6123724), wk = 0.0022124 k( 375) = ( 0.4156627 -0.1150113 0.6123724), wk = 0.0022124 k( 376) = ( 0.4186747 -0.1235307 0.6123724), wk = 0.0022124 k( 377) = ( 0.4216867 -0.1320501 0.6123724), wk = 0.0022124 k( 378) = ( 0.4246988 -0.1405694 0.6123724), wk = 0.0022124 k( 379) = ( 0.4277108 -0.1490888 0.6123724), wk = 0.0022124 k( 380) = ( 0.4307229 -0.1576081 0.6123724), wk = 0.0022124 k( 381) = ( 0.4337349 -0.1661275 0.6123724), wk = 0.0022124 k( 382) = ( 0.4367470 -0.1746469 0.6123724), wk = 0.0022124 k( 383) = ( 0.4397590 -0.1831662 0.6123724), wk = 0.0022124 k( 384) = ( 0.4427711 -0.1916856 0.6123724), wk = 0.0022124 k( 385) = ( 0.4457831 -0.2002049 0.6123724), wk = 0.0022124 k( 386) = ( 0.4487952 -0.2087243 0.6123724), wk = 0.0022124 k( 387) = ( 0.4518072 -0.2172437 0.6123724), wk = 0.0022124 k( 388) = ( 0.4548193 -0.2257630 0.6123724), wk = 0.0022124 k( 389) = ( 0.4578313 -0.2342824 0.6123724), wk = 0.0022124 k( 390) = ( 0.4608434 -0.2428017 0.6123724), wk = 0.0022124 k( 391) = ( 0.4638554 -0.2513211 0.6123724), wk = 0.0022124 k( 392) = ( 0.4668675 -0.2598404 0.6123724), wk = 0.0022124 k( 393) = ( 0.4698795 -0.2683598 0.6123724), wk = 0.0022124 k( 394) = ( 0.4728916 -0.2768792 0.6123724), wk = 0.0022124 k( 395) = ( 0.4759036 -0.2853985 0.6123724), wk = 0.0022124 k( 396) = ( 0.4789157 -0.2939179 0.6123724), wk = 0.0022124 k( 397) = ( 0.4819277 -0.3024372 0.6123724), wk = 0.0022124 k( 398) = ( 0.4849398 -0.3109566 0.6123724), wk = 0.0022124 k( 399) = ( 0.4879518 -0.3194760 0.6123724), wk = 0.0022124 k( 400) = ( 0.4909639 -0.3279953 0.6123724), wk = 0.0022124 k( 401) = ( 0.4939759 -0.3365147 0.6123724), wk = 0.0022124 k( 402) = ( 0.4969880 -0.3450340 0.6123724), wk = 0.0022124 k( 403) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0022124 k( 404) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0022124 k( 405) = ( 0.2447917 0.3461877 0.6123724), wk = 0.0022124 k( 406) = ( 0.2395833 0.3388220 0.6123724), wk = 0.0022124 k( 407) = ( 0.2343750 0.3314563 0.6123724), wk = 0.0022124 k( 408) = ( 0.2291667 0.3240906 0.6123724), wk = 0.0022124 k( 409) = ( 0.2239583 0.3167249 0.6123724), wk = 0.0022124 k( 410) = ( 0.2187500 0.3093592 0.6123724), wk = 0.0022124 k( 411) = ( 0.2135417 0.3019935 0.6123724), wk = 0.0022124 k( 412) = ( 0.2083333 0.2946278 0.6123724), wk = 0.0022124 k( 413) = ( 0.2031250 0.2872621 0.6123724), wk = 0.0022124 k( 414) = ( 0.1979167 0.2798964 0.6123724), wk = 0.0022124 k( 415) = ( 0.1927083 0.2725307 0.6123724), wk = 0.0022124 k( 416) = ( 0.1875000 0.2651650 0.6123724), wk = 0.0022124 k( 417) = ( 0.1822917 0.2577994 0.6123724), wk = 0.0022124 k( 418) = ( 0.1770833 0.2504336 0.6123724), wk = 0.0022124 k( 419) = ( 0.1718750 0.2430680 0.6123724), wk = 0.0022124 k( 420) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0022124 k( 421) = ( 0.1614583 0.2283366 0.6123724), wk = 0.0022124 k( 422) = ( 0.1562500 0.2209709 0.6123724), wk = 0.0022124 k( 423) = ( 0.1510417 0.2136052 0.6123724), wk = 0.0022124 k( 424) = ( 0.1458333 0.2062395 0.6123724), wk = 0.0022124 k( 425) = ( 0.1406250 0.1988738 0.6123724), wk = 0.0022124 k( 426) = ( 0.1354167 0.1915081 0.6123724), wk = 0.0022124 k( 427) = ( 0.1302083 0.1841424 0.6123724), wk = 0.0022124 k( 428) = ( 0.1250000 0.1767767 0.6123724), wk = 0.0022124 k( 429) = ( 0.1197917 0.1694110 0.6123724), wk = 0.0022124 k( 430) = ( 0.1145833 0.1620453 0.6123724), wk = 0.0022124 k( 431) = ( 0.1093750 0.1546796 0.6123724), wk = 0.0022124 k( 432) = ( 0.1041667 0.1473139 0.6123724), wk = 0.0022124 k( 433) = ( 0.0989583 0.1399482 0.6123724), wk = 0.0022124 k( 434) = ( 0.0937500 0.1325825 0.6123724), wk = 0.0022124 k( 435) = ( 0.0885417 0.1252168 0.6123724), wk = 0.0022124 k( 436) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0022124 k( 437) = ( 0.0781250 0.1104854 0.6123724), wk = 0.0022124 k( 438) = ( 0.0729167 0.1031197 0.6123724), wk = 0.0022124 k( 439) = ( 0.0677083 0.0957540 0.6123724), wk = 0.0022124 k( 440) = ( 0.0625000 0.0883883 0.6123724), wk = 0.0022124 k( 441) = ( 0.0572917 0.0810227 0.6123724), wk = 0.0022124 k( 442) = ( 0.0520833 0.0736570 0.6123724), wk = 0.0022124 k( 443) = ( 0.0468750 0.0662913 0.6123724), wk = 0.0022124 k( 444) = ( 0.0416667 0.0589256 0.6123724), wk = 0.0022124 k( 445) = ( 0.0364583 0.0515599 0.6123724), wk = 0.0022124 k( 446) = ( 0.0312500 0.0441942 0.6123724), wk = 0.0022124 k( 447) = ( 0.0260417 0.0368285 0.6123724), wk = 0.0022124 k( 448) = ( 0.0208333 0.0294628 0.6123724), wk = 0.0022124 k( 449) = ( 0.0156250 0.0220971 0.6123724), wk = 0.0022124 k( 450) = ( 0.0104167 0.0147314 0.6123724), wk = 0.0022124 k( 451) = ( 0.0052083 0.0073657 0.6123724), wk = 0.0022124 k( 452) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0022124 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0052083 -0.0052083 0.0052083), wk = 0.0022124 k( 3) = ( 0.0104167 -0.0104167 0.0104167), wk = 0.0022124 k( 4) = ( 0.0156250 -0.0156250 0.0156250), wk = 0.0022124 k( 5) = ( 0.0208333 -0.0208333 0.0208333), wk = 0.0022124 k( 6) = ( 0.0260417 -0.0260417 0.0260417), wk = 0.0022124 k( 7) = ( 0.0312500 -0.0312500 0.0312500), wk = 0.0022124 k( 8) = ( 0.0364583 -0.0364583 0.0364583), wk = 0.0022124 k( 9) = ( 0.0416667 -0.0416667 0.0416667), wk = 0.0022124 k( 10) = ( 0.0468750 -0.0468750 0.0468750), wk = 0.0022124 k( 11) = ( 0.0520833 -0.0520833 0.0520833), wk = 0.0022124 k( 12) = ( 0.0572917 -0.0572917 0.0572917), wk = 0.0022124 k( 13) = ( 0.0625000 -0.0625000 0.0625000), wk = 0.0022124 k( 14) = ( 0.0677083 -0.0677083 0.0677083), wk = 0.0022124 k( 15) = ( 0.0729167 -0.0729167 0.0729167), wk = 0.0022124 k( 16) = ( 0.0781250 -0.0781250 0.0781250), wk = 0.0022124 k( 17) = ( 0.0833333 -0.0833333 0.0833333), wk = 0.0022124 k( 18) = ( 0.0885417 -0.0885417 0.0885417), wk = 0.0022124 k( 19) = ( 0.0937500 -0.0937500 0.0937500), wk = 0.0022124 k( 20) = ( 0.0989583 -0.0989583 0.0989583), wk = 0.0022124 k( 21) = ( 0.1041667 -0.1041667 0.1041667), wk = 0.0022124 k( 22) = ( 0.1093750 -0.1093750 0.1093750), wk = 0.0022124 k( 23) = ( 0.1145833 -0.1145833 0.1145833), wk = 0.0022124 k( 24) = ( 0.1197917 -0.1197917 0.1197917), wk = 0.0022124 k( 25) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0022124 k( 26) = ( 0.1302083 -0.1302083 0.1302083), wk = 0.0022124 k( 27) = ( 0.1354167 -0.1354167 0.1354167), wk = 0.0022124 k( 28) = ( 0.1406250 -0.1406250 0.1406250), wk = 0.0022124 k( 29) = ( 0.1458333 -0.1458333 0.1458333), wk = 0.0022124 k( 30) = ( 0.1510417 -0.1510417 0.1510417), wk = 0.0022124 k( 31) = ( 0.1562500 -0.1562500 0.1562500), wk = 0.0022124 k( 32) = ( 0.1614583 -0.1614583 0.1614583), wk = 0.0022124 k( 33) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0022124 k( 34) = ( 0.1718750 -0.1718750 0.1718750), wk = 0.0022124 k( 35) = ( 0.1770833 -0.1770833 0.1770833), wk = 0.0022124 k( 36) = ( 0.1822917 -0.1822917 0.1822917), wk = 0.0022124 k( 37) = ( 0.1875000 -0.1875000 0.1875000), wk = 0.0022124 k( 38) = ( 0.1927083 -0.1927083 0.1927083), wk = 0.0022124 k( 39) = ( 0.1979167 -0.1979167 0.1979167), wk = 0.0022124 k( 40) = ( 0.2031250 -0.2031250 0.2031250), wk = 0.0022124 k( 41) = ( 0.2083333 -0.2083333 0.2083333), wk = 0.0022124 k( 42) = ( 0.2135417 -0.2135417 0.2135417), wk = 0.0022124 k( 43) = ( 0.2187500 -0.2187500 0.2187500), wk = 0.0022124 k( 44) = ( 0.2239583 -0.2239583 0.2239583), wk = 0.0022124 k( 45) = ( 0.2291667 -0.2291667 0.2291667), wk = 0.0022124 k( 46) = ( 0.2343750 -0.2343750 0.2343750), wk = 0.0022124 k( 47) = ( 0.2395833 -0.2395833 0.2395833), wk = 0.0022124 k( 48) = ( 0.2447917 -0.2447917 0.2447917), wk = 0.0022124 k( 49) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0022124 k( 50) = ( 0.2552083 -0.2552083 0.2552083), wk = 0.0022124 k( 51) = ( 0.2604167 -0.2604167 0.2604167), wk = 0.0022124 k( 52) = ( 0.2656250 -0.2656250 0.2656250), wk = 0.0022124 k( 53) = ( 0.2708333 -0.2708333 0.2708333), wk = 0.0022124 k( 54) = ( 0.2760417 -0.2760417 0.2760417), wk = 0.0022124 k( 55) = ( 0.2812500 -0.2812500 0.2812500), wk = 0.0022124 k( 56) = ( 0.2864583 -0.2864583 0.2864583), wk = 0.0022124 k( 57) = ( 0.2916667 -0.2916667 0.2916667), wk = 0.0022124 k( 58) = ( 0.2968750 -0.2968750 0.2968750), wk = 0.0022124 k( 59) = ( 0.3020833 -0.3020833 0.3020833), wk = 0.0022124 k( 60) = ( 0.3072917 -0.3072917 0.3072917), wk = 0.0022124 k( 61) = ( 0.3125000 -0.3125000 0.3125000), wk = 0.0022124 k( 62) = ( 0.3177083 -0.3177083 0.3177083), wk = 0.0022124 k( 63) = ( 0.3229167 -0.3229167 0.3229167), wk = 0.0022124 k( 64) = ( 0.3281250 -0.3281250 0.3281250), wk = 0.0022124 k( 65) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0022124 k( 66) = ( 0.3385417 -0.3385417 0.3385417), wk = 0.0022124 k( 67) = ( 0.3437500 -0.3437500 0.3437500), wk = 0.0022124 k( 68) = ( 0.3489583 -0.3489583 0.3489583), wk = 0.0022124 k( 69) = ( 0.3541667 -0.3541667 0.3541667), wk = 0.0022124 k( 70) = ( 0.3593750 -0.3593750 0.3593750), wk = 0.0022124 k( 71) = ( 0.3645833 -0.3645833 0.3645833), wk = 0.0022124 k( 72) = ( 0.3697917 -0.3697917 0.3697917), wk = 0.0022124 k( 73) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0022124 k( 74) = ( 0.3802083 -0.3802083 0.3802083), wk = 0.0022124 k( 75) = ( 0.3854167 -0.3854167 0.3854167), wk = 0.0022124 k( 76) = ( 0.3906250 -0.3906250 0.3906250), wk = 0.0022124 k( 77) = ( 0.3958333 -0.3958333 0.3958333), wk = 0.0022124 k( 78) = ( 0.4010417 -0.4010417 0.4010417), wk = 0.0022124 k( 79) = ( 0.4062500 -0.4062500 0.4062500), wk = 0.0022124 k( 80) = ( 0.4114583 -0.4114583 0.4114583), wk = 0.0022124 k( 81) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0022124 k( 82) = ( 0.4218750 -0.4218750 0.4218750), wk = 0.0022124 k( 83) = ( 0.4270833 -0.4270833 0.4270833), wk = 0.0022124 k( 84) = ( 0.4322917 -0.4322917 0.4322917), wk = 0.0022124 k( 85) = ( 0.4375000 -0.4375000 0.4375000), wk = 0.0022124 k( 86) = ( 0.4427083 -0.4427083 0.4427083), wk = 0.0022124 k( 87) = ( 0.4479167 -0.4479167 0.4479167), wk = 0.0022124 k( 88) = ( 0.4531250 -0.4531250 0.4531250), wk = 0.0022124 k( 89) = ( 0.4583333 -0.4583333 0.4583333), wk = 0.0022124 k( 90) = ( 0.4635417 -0.4635417 0.4635417), wk = 0.0022124 k( 91) = ( 0.4687500 -0.4687500 0.4687500), wk = 0.0022124 k( 92) = ( 0.4739583 -0.4739583 0.4739583), wk = 0.0022124 k( 93) = ( 0.4791667 -0.4791667 0.4791667), wk = 0.0022124 k( 94) = ( 0.4843750 -0.4843750 0.4843750), wk = 0.0022124 k( 95) = ( 0.4895833 -0.4895833 0.4895833), wk = 0.0022124 k( 96) = ( 0.4947917 -0.4947917 0.4947917), wk = 0.0022124 k( 97) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0022124 k( 98) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0022124 k( 99) = ( 0.4926471 -0.4926471 0.5000000), wk = 0.0022124 k( 100) = ( 0.4852941 -0.4852941 0.5000000), wk = 0.0022124 k( 101) = ( 0.4779412 -0.4779412 0.5000000), wk = 0.0022124 k( 102) = ( 0.4705882 -0.4705882 0.5000000), wk = 0.0022124 k( 103) = ( 0.4632353 -0.4632353 0.5000000), wk = 0.0022124 k( 104) = ( 0.4558823 -0.4558824 0.5000000), wk = 0.0022124 k( 105) = ( 0.4485294 -0.4485294 0.5000000), wk = 0.0022124 k( 106) = ( 0.4411765 -0.4411765 0.5000000), wk = 0.0022124 k( 107) = ( 0.4338235 -0.4338235 0.5000000), wk = 0.0022124 k( 108) = ( 0.4264706 -0.4264706 0.5000000), wk = 0.0022124 k( 109) = ( 0.4191177 -0.4191177 0.5000000), wk = 0.0022124 k( 110) = ( 0.4117647 -0.4117647 0.5000000), wk = 0.0022124 k( 111) = ( 0.4044118 -0.4044118 0.5000000), wk = 0.0022124 k( 112) = ( 0.3970588 -0.3970588 0.5000000), wk = 0.0022124 k( 113) = ( 0.3897059 -0.3897059 0.5000000), wk = 0.0022124 k( 114) = ( 0.3823529 -0.3823529 0.5000000), wk = 0.0022124 k( 115) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0022124 k( 116) = ( 0.3676471 -0.3676471 0.5000000), wk = 0.0022124 k( 117) = ( 0.3602941 -0.3602941 0.5000000), wk = 0.0022124 k( 118) = ( 0.3529412 -0.3529412 0.5000000), wk = 0.0022124 k( 119) = ( 0.3455882 -0.3455882 0.5000000), wk = 0.0022124 k( 120) = ( 0.3382353 -0.3382353 0.5000000), wk = 0.0022124 k( 121) = ( 0.3308823 -0.3308823 0.5000000), wk = 0.0022124 k( 122) = ( 0.3235294 -0.3235294 0.5000000), wk = 0.0022124 k( 123) = ( 0.3161765 -0.3161765 0.5000000), wk = 0.0022124 k( 124) = ( 0.3088235 -0.3088235 0.5000000), wk = 0.0022124 k( 125) = ( 0.3014706 -0.3014706 0.5000000), wk = 0.0022124 k( 126) = ( 0.2941177 -0.2941177 0.5000000), wk = 0.0022124 k( 127) = ( 0.2867647 -0.2867647 0.5000000), wk = 0.0022124 k( 128) = ( 0.2794118 -0.2794118 0.5000000), wk = 0.0022124 k( 129) = ( 0.2720588 -0.2720588 0.5000000), wk = 0.0022124 k( 130) = ( 0.2647059 -0.2647059 0.5000000), wk = 0.0022124 k( 131) = ( 0.2573529 -0.2573529 0.5000000), wk = 0.0022124 k( 132) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0022124 k( 133) = ( 0.2426471 -0.2426471 0.5000000), wk = 0.0022124 k( 134) = ( 0.2352941 -0.2352941 0.5000000), wk = 0.0022124 k( 135) = ( 0.2279412 -0.2279412 0.5000000), wk = 0.0022124 k( 136) = ( 0.2205882 -0.2205882 0.5000000), wk = 0.0022124 k( 137) = ( 0.2132353 -0.2132353 0.5000000), wk = 0.0022124 k( 138) = ( 0.2058823 -0.2058823 0.5000000), wk = 0.0022124 k( 139) = ( 0.1985294 -0.1985294 0.5000000), wk = 0.0022124 k( 140) = ( 0.1911765 -0.1911765 0.5000000), wk = 0.0022124 k( 141) = ( 0.1838235 -0.1838235 0.5000000), wk = 0.0022124 k( 142) = ( 0.1764706 -0.1764706 0.5000000), wk = 0.0022124 k( 143) = ( 0.1691177 -0.1691177 0.5000000), wk = 0.0022124 k( 144) = ( 0.1617647 -0.1617647 0.5000000), wk = 0.0022124 k( 145) = ( 0.1544118 -0.1544118 0.5000000), wk = 0.0022124 k( 146) = ( 0.1470588 -0.1470588 0.5000000), wk = 0.0022124 k( 147) = ( 0.1397059 -0.1397059 0.5000000), wk = 0.0022124 k( 148) = ( 0.1323529 -0.1323529 0.5000000), wk = 0.0022124 k( 149) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0022124 k( 150) = ( 0.1176471 -0.1176471 0.5000000), wk = 0.0022124 k( 151) = ( 0.1102941 -0.1102941 0.5000000), wk = 0.0022124 k( 152) = ( 0.1029412 -0.1029412 0.5000000), wk = 0.0022124 k( 153) = ( 0.0955882 -0.0955882 0.5000000), wk = 0.0022124 k( 154) = ( 0.0882353 -0.0882353 0.5000000), wk = 0.0022124 k( 155) = ( 0.0808824 -0.0808824 0.5000000), wk = 0.0022124 k( 156) = ( 0.0735294 -0.0735294 0.5000000), wk = 0.0022124 k( 157) = ( 0.0661765 -0.0661765 0.5000000), wk = 0.0022124 k( 158) = ( 0.0588235 -0.0588235 0.5000000), wk = 0.0022124 k( 159) = ( 0.0514706 -0.0514706 0.5000000), wk = 0.0022124 k( 160) = ( 0.0441177 -0.0441177 0.5000000), wk = 0.0022124 k( 161) = ( 0.0367647 -0.0367647 0.5000000), wk = 0.0022124 k( 162) = ( 0.0294118 -0.0294118 0.5000000), wk = 0.0022124 k( 163) = ( 0.0220588 -0.0220588 0.5000000), wk = 0.0022124 k( 164) = ( 0.0147059 -0.0147059 0.5000000), wk = 0.0022124 k( 165) = ( 0.0073529 -0.0073529 0.5000000), wk = 0.0022124 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 168) = ( 0.0000000 0.0000000 0.4926471), wk = 0.0022124 k( 169) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0022124 k( 170) = ( 0.0000000 0.0000000 0.4779412), wk = 0.0022124 k( 171) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0022124 k( 172) = ( 0.0000000 0.0000000 0.4632353), wk = 0.0022124 k( 173) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0022124 k( 174) = ( 0.0000000 0.0000000 0.4485294), wk = 0.0022124 k( 175) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0022124 k( 176) = ( 0.0000000 0.0000000 0.4338235), wk = 0.0022124 k( 177) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0022124 k( 178) = ( 0.0000000 0.0000000 0.4191177), wk = 0.0022124 k( 179) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0022124 k( 180) = ( 0.0000000 0.0000000 0.4044118), wk = 0.0022124 k( 181) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0022124 k( 182) = ( 0.0000000 0.0000000 0.3897059), wk = 0.0022124 k( 183) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0022124 k( 184) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022124 k( 185) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0022124 k( 186) = ( 0.0000000 0.0000000 0.3602941), wk = 0.0022124 k( 187) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0022124 k( 188) = ( 0.0000000 0.0000000 0.3455882), wk = 0.0022124 k( 189) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.3308823), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.3161765), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.3014706), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.2867647), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.2720588), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0022124 k( 200) = ( 0.0000000 0.0000000 0.2573529), wk = 0.0022124 k( 201) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022124 k( 202) = ( 0.0000000 0.0000000 0.2426471), wk = 0.0022124 k( 203) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0022124 k( 204) = ( 0.0000000 0.0000000 0.2279412), wk = 0.0022124 k( 205) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0022124 k( 206) = ( 0.0000000 0.0000000 0.2132353), wk = 0.0022124 k( 207) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0022124 k( 208) = ( 0.0000000 0.0000000 0.1985294), wk = 0.0022124 k( 209) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0022124 k( 210) = ( 0.0000000 0.0000000 0.1838235), wk = 0.0022124 k( 211) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0022124 k( 212) = ( 0.0000000 0.0000000 0.1691176), wk = 0.0022124 k( 213) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0022124 k( 214) = ( 0.0000000 0.0000000 0.1544118), wk = 0.0022124 k( 215) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0022124 k( 216) = ( 0.0000000 0.0000000 0.1397059), wk = 0.0022124 k( 217) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0022124 k( 218) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022124 k( 219) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0022124 k( 220) = ( 0.0000000 0.0000000 0.1102941), wk = 0.0022124 k( 221) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0022124 k( 222) = ( 0.0000000 0.0000000 0.0955882), wk = 0.0022124 k( 223) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0022124 k( 224) = ( 0.0000000 0.0000000 0.0808824), wk = 0.0022124 k( 225) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0022124 k( 226) = ( 0.0000000 0.0000000 0.0661765), wk = 0.0022124 k( 227) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0022124 k( 228) = ( 0.0000000 0.0000000 0.0514706), wk = 0.0022124 k( 229) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0022124 k( 230) = ( 0.0000000 0.0000000 0.0367647), wk = 0.0022124 k( 231) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0022124 k( 232) = ( 0.0000000 0.0000000 0.0220588), wk = 0.0022124 k( 233) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0022124 k( 234) = ( 0.0000000 0.0000000 0.0073529), wk = 0.0022124 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 237) = ( 0.0030121 0.0030121 0.0030121), wk = 0.0022124 k( 238) = ( 0.0060241 0.0060241 0.0060241), wk = 0.0022124 k( 239) = ( 0.0090361 0.0090361 0.0090361), wk = 0.0022124 k( 240) = ( 0.0120482 0.0120482 0.0120482), wk = 0.0022124 k( 241) = ( 0.0150602 0.0150602 0.0150602), wk = 0.0022124 k( 242) = ( 0.0180723 0.0180723 0.0180723), wk = 0.0022124 k( 243) = ( 0.0210843 0.0210843 0.0210843), wk = 0.0022124 k( 244) = ( 0.0240964 0.0240964 0.0240964), wk = 0.0022124 k( 245) = ( 0.0271084 0.0271084 0.0271084), wk = 0.0022124 k( 246) = ( 0.0301205 0.0301205 0.0301205), wk = 0.0022124 k( 247) = ( 0.0331325 0.0331325 0.0331325), wk = 0.0022124 k( 248) = ( 0.0361446 0.0361446 0.0361446), wk = 0.0022124 k( 249) = ( 0.0391566 0.0391566 0.0391566), wk = 0.0022124 k( 250) = ( 0.0421687 0.0421687 0.0421687), wk = 0.0022124 k( 251) = ( 0.0451807 0.0451807 0.0451807), wk = 0.0022124 k( 252) = ( 0.0481928 0.0481928 0.0481928), wk = 0.0022124 k( 253) = ( 0.0512048 0.0512048 0.0512048), wk = 0.0022124 k( 254) = ( 0.0542169 0.0542169 0.0542169), wk = 0.0022124 k( 255) = ( 0.0572289 0.0572289 0.0572289), wk = 0.0022124 k( 256) = ( 0.0602410 0.0602410 0.0602410), wk = 0.0022124 k( 257) = ( 0.0632530 0.0632530 0.0632530), wk = 0.0022124 k( 258) = ( 0.0662651 0.0662651 0.0662651), wk = 0.0022124 k( 259) = ( 0.0692771 0.0692771 0.0692771), wk = 0.0022124 k( 260) = ( 0.0722892 0.0722892 0.0722892), wk = 0.0022124 k( 261) = ( 0.0753012 0.0753012 0.0753012), wk = 0.0022124 k( 262) = ( 0.0783133 0.0783133 0.0783133), wk = 0.0022124 k( 263) = ( 0.0813253 0.0813253 0.0813253), wk = 0.0022124 k( 264) = ( 0.0843374 0.0843373 0.0843374), wk = 0.0022124 k( 265) = ( 0.0873494 0.0873494 0.0873494), wk = 0.0022124 k( 266) = ( 0.0903614 0.0903615 0.0903614), wk = 0.0022124 k( 267) = ( 0.0933735 0.0933735 0.0933735), wk = 0.0022124 k( 268) = ( 0.0963855 0.0963855 0.0963855), wk = 0.0022124 k( 269) = ( 0.0993976 0.0993976 0.0993976), wk = 0.0022124 k( 270) = ( 0.1024096 0.1024096 0.1024096), wk = 0.0022124 k( 271) = ( 0.1054217 0.1054217 0.1054217), wk = 0.0022124 k( 272) = ( 0.1084337 0.1084337 0.1084337), wk = 0.0022124 k( 273) = ( 0.1114458 0.1114458 0.1114458), wk = 0.0022124 k( 274) = ( 0.1144578 0.1144578 0.1144578), wk = 0.0022124 k( 275) = ( 0.1174699 0.1174699 0.1174699), wk = 0.0022124 k( 276) = ( 0.1204819 0.1204819 0.1204819), wk = 0.0022124 k( 277) = ( 0.1234940 0.1234940 0.1234940), wk = 0.0022124 k( 278) = ( 0.1265060 0.1265060 0.1265060), wk = 0.0022124 k( 279) = ( 0.1295181 0.1295181 0.1295181), wk = 0.0022124 k( 280) = ( 0.1325301 0.1325301 0.1325301), wk = 0.0022124 k( 281) = ( 0.1355422 0.1355422 0.1355422), wk = 0.0022124 k( 282) = ( 0.1385542 0.1385542 0.1385542), wk = 0.0022124 k( 283) = ( 0.1415663 0.1415663 0.1415663), wk = 0.0022124 k( 284) = ( 0.1445783 0.1445783 0.1445783), wk = 0.0022124 k( 285) = ( 0.1475904 0.1475904 0.1475904), wk = 0.0022124 k( 286) = ( 0.1506024 0.1506024 0.1506024), wk = 0.0022124 k( 287) = ( 0.1536145 0.1536145 0.1536145), wk = 0.0022124 k( 288) = ( 0.1566265 0.1566265 0.1566265), wk = 0.0022124 k( 289) = ( 0.1596385 0.1596385 0.1596386), wk = 0.0022124 k( 290) = ( 0.1626506 0.1626506 0.1626506), wk = 0.0022124 k( 291) = ( 0.1656626 0.1656626 0.1656626), wk = 0.0022124 k( 292) = ( 0.1686747 0.1686747 0.1686747), wk = 0.0022124 k( 293) = ( 0.1716867 0.1716867 0.1716868), wk = 0.0022124 k( 294) = ( 0.1746988 0.1746988 0.1746988), wk = 0.0022124 k( 295) = ( 0.1777108 0.1777108 0.1777108), wk = 0.0022124 k( 296) = ( 0.1807229 0.1807229 0.1807229), wk = 0.0022124 k( 297) = ( 0.1837349 0.1837349 0.1837349), wk = 0.0022124 k( 298) = ( 0.1867470 0.1867470 0.1867470), wk = 0.0022124 k( 299) = ( 0.1897590 0.1897590 0.1897590), wk = 0.0022124 k( 300) = ( 0.1927711 0.1927711 0.1927711), wk = 0.0022124 k( 301) = ( 0.1957831 0.1957831 0.1957831), wk = 0.0022124 k( 302) = ( 0.1987952 0.1987952 0.1987952), wk = 0.0022124 k( 303) = ( 0.2018072 0.2018072 0.2018072), wk = 0.0022124 k( 304) = ( 0.2048193 0.2048193 0.2048193), wk = 0.0022124 k( 305) = ( 0.2078313 0.2078313 0.2078313), wk = 0.0022124 k( 306) = ( 0.2108434 0.2108434 0.2108434), wk = 0.0022124 k( 307) = ( 0.2138554 0.2138554 0.2138554), wk = 0.0022124 k( 308) = ( 0.2168675 0.2168675 0.2168675), wk = 0.0022124 k( 309) = ( 0.2198795 0.2198795 0.2198795), wk = 0.0022124 k( 310) = ( 0.2228916 0.2228916 0.2228916), wk = 0.0022124 k( 311) = ( 0.2259036 0.2259036 0.2259036), wk = 0.0022124 k( 312) = ( 0.2289157 0.2289157 0.2289157), wk = 0.0022124 k( 313) = ( 0.2319277 0.2319277 0.2319277), wk = 0.0022124 k( 314) = ( 0.2349398 0.2349398 0.2349398), wk = 0.0022124 k( 315) = ( 0.2379518 0.2379518 0.2379518), wk = 0.0022124 k( 316) = ( 0.2409639 0.2409639 0.2409639), wk = 0.0022124 k( 317) = ( 0.2439759 0.2439759 0.2439759), wk = 0.0022124 k( 318) = ( 0.2469880 0.2469879 0.2469880), wk = 0.0022124 k( 319) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 320) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 321) = ( 0.2530120 0.2409639 0.2530121), wk = 0.0022124 k( 322) = ( 0.2560241 0.2319277 0.2560241), wk = 0.0022124 k( 323) = ( 0.2590361 0.2228916 0.2590361), wk = 0.0022124 k( 324) = ( 0.2620482 0.2138554 0.2620482), wk = 0.0022124 k( 325) = ( 0.2650602 0.2048193 0.2650602), wk = 0.0022124 k( 326) = ( 0.2680723 0.1957831 0.2680723), wk = 0.0022124 k( 327) = ( 0.2710843 0.1867470 0.2710843), wk = 0.0022124 k( 328) = ( 0.2740964 0.1777108 0.2740964), wk = 0.0022124 k( 329) = ( 0.2771084 0.1686747 0.2771084), wk = 0.0022124 k( 330) = ( 0.2801205 0.1596386 0.2801205), wk = 0.0022124 k( 331) = ( 0.2831325 0.1506024 0.2831325), wk = 0.0022124 k( 332) = ( 0.2861446 0.1415663 0.2861446), wk = 0.0022124 k( 333) = ( 0.2891566 0.1325301 0.2891566), wk = 0.0022124 k( 334) = ( 0.2921687 0.1234940 0.2921687), wk = 0.0022124 k( 335) = ( 0.2951807 0.1144578 0.2951807), wk = 0.0022124 k( 336) = ( 0.2981928 0.1054217 0.2981928), wk = 0.0022124 k( 337) = ( 0.3012048 0.0963855 0.3012048), wk = 0.0022124 k( 338) = ( 0.3042169 0.0873494 0.3042169), wk = 0.0022124 k( 339) = ( 0.3072289 0.0783133 0.3072289), wk = 0.0022124 k( 340) = ( 0.3102410 0.0692771 0.3102410), wk = 0.0022124 k( 341) = ( 0.3132530 0.0602410 0.3132530), wk = 0.0022124 k( 342) = ( 0.3162651 0.0512048 0.3162651), wk = 0.0022124 k( 343) = ( 0.3192771 0.0421687 0.3192771), wk = 0.0022124 k( 344) = ( 0.3222892 0.0331325 0.3222892), wk = 0.0022124 k( 345) = ( 0.3253012 0.0240964 0.3253012), wk = 0.0022124 k( 346) = ( 0.3283133 0.0150602 0.3283133), wk = 0.0022124 k( 347) = ( 0.3313253 0.0060241 0.3313253), wk = 0.0022124 k( 348) = ( 0.3343373 -0.0030121 0.3343373), wk = 0.0022124 k( 349) = ( 0.3373494 -0.0120482 0.3373494), wk = 0.0022124 k( 350) = ( 0.3403615 -0.0210843 0.3403614), wk = 0.0022124 k( 351) = ( 0.3433735 -0.0301205 0.3433735), wk = 0.0022124 k( 352) = ( 0.3463855 -0.0391566 0.3463855), wk = 0.0022124 k( 353) = ( 0.3493976 -0.0481928 0.3493976), wk = 0.0022124 k( 354) = ( 0.3524096 -0.0572289 0.3524096), wk = 0.0022124 k( 355) = ( 0.3554217 -0.0662651 0.3554217), wk = 0.0022124 k( 356) = ( 0.3584337 -0.0753012 0.3584337), wk = 0.0022124 k( 357) = ( 0.3614458 -0.0843373 0.3614458), wk = 0.0022124 k( 358) = ( 0.3644578 -0.0933735 0.3644578), wk = 0.0022124 k( 359) = ( 0.3674699 -0.1024096 0.3674699), wk = 0.0022124 k( 360) = ( 0.3704819 -0.1114458 0.3704819), wk = 0.0022124 k( 361) = ( 0.3734940 -0.1204819 0.3734940), wk = 0.0022124 k( 362) = ( 0.3765060 -0.1295181 0.3765060), wk = 0.0022124 k( 363) = ( 0.3795181 -0.1385542 0.3795181), wk = 0.0022124 k( 364) = ( 0.3825301 -0.1475904 0.3825301), wk = 0.0022124 k( 365) = ( 0.3855422 -0.1566265 0.3855422), wk = 0.0022124 k( 366) = ( 0.3885542 -0.1656626 0.3885542), wk = 0.0022124 k( 367) = ( 0.3915663 -0.1746988 0.3915663), wk = 0.0022124 k( 368) = ( 0.3945783 -0.1837349 0.3945783), wk = 0.0022124 k( 369) = ( 0.3975904 -0.1927711 0.3975904), wk = 0.0022124 k( 370) = ( 0.4006024 -0.2018072 0.4006024), wk = 0.0022124 k( 371) = ( 0.4036145 -0.2108434 0.4036145), wk = 0.0022124 k( 372) = ( 0.4066265 -0.2198795 0.4066265), wk = 0.0022124 k( 373) = ( 0.4096385 -0.2289157 0.4096385), wk = 0.0022124 k( 374) = ( 0.4126506 -0.2379518 0.4126506), wk = 0.0022124 k( 375) = ( 0.4156627 -0.2469879 0.4156626), wk = 0.0022124 k( 376) = ( 0.4186747 -0.2560241 0.4186747), wk = 0.0022124 k( 377) = ( 0.4216867 -0.2650602 0.4216868), wk = 0.0022124 k( 378) = ( 0.4246988 -0.2740964 0.4246988), wk = 0.0022124 k( 379) = ( 0.4277108 -0.2831325 0.4277108), wk = 0.0022124 k( 380) = ( 0.4307229 -0.2921687 0.4307229), wk = 0.0022124 k( 381) = ( 0.4337349 -0.3012048 0.4337349), wk = 0.0022124 k( 382) = ( 0.4367470 -0.3102410 0.4367470), wk = 0.0022124 k( 383) = ( 0.4397590 -0.3192771 0.4397590), wk = 0.0022124 k( 384) = ( 0.4427711 -0.3283133 0.4427711), wk = 0.0022124 k( 385) = ( 0.4457831 -0.3373494 0.4457831), wk = 0.0022124 k( 386) = ( 0.4487952 -0.3463855 0.4487952), wk = 0.0022124 k( 387) = ( 0.4518072 -0.3554217 0.4518072), wk = 0.0022124 k( 388) = ( 0.4548193 -0.3644578 0.4548193), wk = 0.0022124 k( 389) = ( 0.4578313 -0.3734940 0.4578313), wk = 0.0022124 k( 390) = ( 0.4608434 -0.3825301 0.4608434), wk = 0.0022124 k( 391) = ( 0.4638554 -0.3915663 0.4638554), wk = 0.0022124 k( 392) = ( 0.4668675 -0.4006024 0.4668675), wk = 0.0022124 k( 393) = ( 0.4698795 -0.4096385 0.4698795), wk = 0.0022124 k( 394) = ( 0.4728916 -0.4186747 0.4728916), wk = 0.0022124 k( 395) = ( 0.4759036 -0.4277108 0.4759036), wk = 0.0022124 k( 396) = ( 0.4789157 -0.4367470 0.4789157), wk = 0.0022124 k( 397) = ( 0.4819277 -0.4457831 0.4819277), wk = 0.0022124 k( 398) = ( 0.4849398 -0.4548193 0.4849398), wk = 0.0022124 k( 399) = ( 0.4879518 -0.4638554 0.4879518), wk = 0.0022124 k( 400) = ( 0.4909639 -0.4728916 0.4909639), wk = 0.0022124 k( 401) = ( 0.4939759 -0.4819277 0.4939759), wk = 0.0022124 k( 402) = ( 0.4969880 -0.4909639 0.4969879), wk = 0.0022124 k( 403) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0022124 k( 404) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 405) = ( 0.2447917 0.2447917 0.2552083), wk = 0.0022124 k( 406) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0022124 k( 407) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0022124 k( 408) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0022124 k( 409) = ( 0.2239583 0.2239583 0.2760417), wk = 0.0022124 k( 410) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0022124 k( 411) = ( 0.2135417 0.2135417 0.2864583), wk = 0.0022124 k( 412) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0022124 k( 413) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0022124 k( 414) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0022124 k( 415) = ( 0.1927083 0.1927083 0.3072917), wk = 0.0022124 k( 416) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022124 k( 417) = ( 0.1822917 0.1822917 0.3177083), wk = 0.0022124 k( 418) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0022124 k( 419) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0022124 k( 420) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022124 k( 421) = ( 0.1614583 0.1614583 0.3385417), wk = 0.0022124 k( 422) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0022124 k( 423) = ( 0.1510417 0.1510417 0.3489583), wk = 0.0022124 k( 424) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0022124 k( 425) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0022124 k( 426) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0022124 k( 427) = ( 0.1302083 0.1302083 0.3697917), wk = 0.0022124 k( 428) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022124 k( 429) = ( 0.1197917 0.1197917 0.3802083), wk = 0.0022124 k( 430) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0022124 k( 431) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0022124 k( 432) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0022124 k( 433) = ( 0.0989583 0.0989583 0.4010417), wk = 0.0022124 k( 434) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0022124 k( 435) = ( 0.0885417 0.0885417 0.4114583), wk = 0.0022124 k( 436) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0022124 k( 437) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0022124 k( 438) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0022124 k( 439) = ( 0.0677083 0.0677083 0.4322917), wk = 0.0022124 k( 440) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022124 k( 441) = ( 0.0572917 0.0572917 0.4427083), wk = 0.0022124 k( 442) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0022124 k( 443) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0022124 k( 444) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0022124 k( 445) = ( 0.0364583 0.0364583 0.4635417), wk = 0.0022124 k( 446) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0022124 k( 447) = ( 0.0260417 0.0260417 0.4739583), wk = 0.0022124 k( 448) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0022124 k( 449) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0022124 k( 450) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0022124 k( 451) = ( 0.0052083 0.0052083 0.4947917), wk = 0.0022124 k( 452) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 Dense grid: 11489 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 84, 20) NL pseudopotentials 0.02 Mb ( 42, 34) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 319) G-vector shells 0.00 Mb ( 83) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 84, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 34, 2, 20) The potential is recalculated from file : ./Ti.save/charge-density.dat Starting wfc are random Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 3.9 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.2 secs Computing kpt #: 36 total cpu time spent up to now is 5.3 secs Computing kpt #: 37 total cpu time spent up to now is 5.4 secs Computing kpt #: 38 total cpu time spent up to now is 5.5 secs Computing kpt #: 39 total cpu time spent up to now is 5.5 secs Computing kpt #: 40 total cpu time spent up to now is 5.6 secs Computing kpt #: 41 total cpu time spent up to now is 5.7 secs Computing kpt #: 42 total cpu time spent up to now is 5.8 secs Computing kpt #: 43 total cpu time spent up to now is 5.8 secs Computing kpt #: 44 total cpu time spent up to now is 5.9 secs Computing kpt #: 45 total cpu time spent up to now is 6.0 secs Computing kpt #: 46 total cpu time spent up to now is 6.1 secs Computing kpt #: 47 total cpu time spent up to now is 6.1 secs Computing kpt #: 48 total cpu time spent up to now is 6.2 secs Computing kpt #: 49 total cpu time spent up to now is 6.3 secs Computing kpt #: 50 total cpu time spent up to now is 6.4 secs Computing kpt #: 51 total cpu time spent up to now is 6.4 secs Computing kpt #: 52 total cpu time spent up to now is 6.5 secs Computing kpt #: 53 total cpu time spent up to now is 6.6 secs Computing kpt #: 54 total cpu time spent up to now is 6.7 secs Computing kpt #: 55 total cpu time spent up to now is 6.7 secs Computing kpt #: 56 total cpu time spent up to now is 6.8 secs Computing kpt #: 57 total cpu time spent up to now is 6.9 secs Computing kpt #: 58 total cpu time spent up to now is 7.0 secs Computing kpt #: 59 total cpu time spent up to now is 7.0 secs Computing kpt #: 60 total cpu time spent up to now is 7.1 secs Computing kpt #: 61 total cpu time spent up to now is 7.2 secs Computing kpt #: 62 total cpu time spent up to now is 7.3 secs Computing kpt #: 63 total cpu time spent up to now is 7.3 secs Computing kpt #: 64 total cpu time spent up to now is 7.4 secs Computing kpt #: 65 total cpu time spent up to now is 7.5 secs Computing kpt #: 66 total cpu time spent up to now is 7.6 secs Computing kpt #: 67 total cpu time spent up to now is 7.6 secs Computing kpt #: 68 total cpu time spent up to now is 7.7 secs Computing kpt #: 69 total cpu time spent up to now is 7.8 secs Computing kpt #: 70 total cpu time spent up to now is 7.9 secs Computing kpt #: 71 total cpu time spent up to now is 8.0 secs Computing kpt #: 72 total cpu time spent up to now is 8.0 secs Computing kpt #: 73 total cpu time spent up to now is 8.1 secs Computing kpt #: 74 total cpu time spent up to now is 8.2 secs Computing kpt #: 75 total cpu time spent up to now is 8.3 secs Computing kpt #: 76 total cpu time spent up to now is 8.3 secs Computing kpt #: 77 total cpu time spent up to now is 8.4 secs Computing kpt #: 78 total cpu time spent up to now is 8.5 secs Computing kpt #: 79 total cpu time spent up to now is 8.6 secs Computing kpt #: 80 total cpu time spent up to now is 8.7 secs Computing kpt #: 81 total cpu time spent up to now is 8.7 secs Computing kpt #: 82 total cpu time spent up to now is 8.8 secs Computing kpt #: 83 total cpu time spent up to now is 8.9 secs Computing kpt #: 84 total cpu time spent up to now is 9.0 secs Computing kpt #: 85 total cpu time spent up to now is 9.1 secs Computing kpt #: 86 total cpu time spent up to now is 9.2 secs Computing kpt #: 87 total cpu time spent up to now is 9.2 secs Computing kpt #: 88 total cpu time spent up to now is 9.3 secs Computing kpt #: 89 total cpu time spent up to now is 9.4 secs Computing kpt #: 90 total cpu time spent up to now is 9.5 secs Computing kpt #: 91 total cpu time spent up to now is 9.6 secs Computing kpt #: 92 total cpu time spent up to now is 9.7 secs Computing kpt #: 93 total cpu time spent up to now is 9.8 secs Computing kpt #: 94 total cpu time spent up to now is 9.9 secs Computing kpt #: 95 total cpu time spent up to now is 10.0 secs Computing kpt #: 96 total cpu time spent up to now is 10.1 secs Computing kpt #: 97 total cpu time spent up to now is 10.2 secs Computing kpt #: 98 total cpu time spent up to now is 10.3 secs Computing kpt #: 99 total cpu time spent up to now is 10.4 secs Computing kpt #: 100 total cpu time spent up to now is 10.5 secs Computing kpt #: 101 total cpu time spent up to now is 10.6 secs Computing kpt #: 102 total cpu time spent up to now is 10.7 secs Computing kpt #: 103 total cpu time spent up to now is 10.8 secs Computing kpt #: 104 total cpu time spent up to now is 10.9 secs Computing kpt #: 105 total cpu time spent up to now is 11.0 secs Computing kpt #: 106 total cpu time spent up to now is 11.1 secs Computing kpt #: 107 total cpu time spent up to now is 11.2 secs Computing kpt #: 108 total cpu time spent up to now is 11.3 secs Computing kpt #: 109 total cpu time spent up to now is 11.4 secs Computing kpt #: 110 total cpu time spent up to now is 11.5 secs Computing kpt #: 111 total cpu time spent up to now is 11.6 secs Computing kpt #: 112 total cpu time spent up to now is 11.7 secs Computing kpt #: 113 total cpu time spent up to now is 12.3 secs Computing kpt #: 114 total cpu time spent up to now is 12.3 secs Computing kpt #: 115 total cpu time spent up to now is 12.4 secs Computing kpt #: 116 total cpu time spent up to now is 12.5 secs Computing kpt #: 117 total cpu time spent up to now is 12.6 secs Computing kpt #: 118 total cpu time spent up to now is 12.7 secs Computing kpt #: 119 total cpu time spent up to now is 12.8 secs Computing kpt #: 120 total cpu time spent up to now is 12.9 secs Computing kpt #: 121 total cpu time spent up to now is 13.0 secs Computing kpt #: 122 total cpu time spent up to now is 13.1 secs Computing kpt #: 123 total cpu time spent up to now is 13.1 secs Computing kpt #: 124 total cpu time spent up to now is 13.2 secs Computing kpt #: 125 total cpu time spent up to now is 13.3 secs Computing kpt #: 126 total cpu time spent up to now is 13.4 secs Computing kpt #: 127 total cpu time spent up to now is 13.5 secs Computing kpt #: 128 total cpu time spent up to now is 13.6 secs Computing kpt #: 129 total cpu time spent up to now is 13.7 secs Computing kpt #: 130 total cpu time spent up to now is 13.8 secs Computing kpt #: 131 total cpu time spent up to now is 13.8 secs Computing kpt #: 132 total cpu time spent up to now is 13.9 secs Computing kpt #: 133 total cpu time spent up to now is 14.0 secs Computing kpt #: 134 total cpu time spent up to now is 14.1 secs Computing kpt #: 135 total cpu time spent up to now is 14.2 secs Computing kpt #: 136 total cpu time spent up to now is 14.3 secs Computing kpt #: 137 total cpu time spent up to now is 14.4 secs Computing kpt #: 138 total cpu time spent up to now is 14.5 secs Computing kpt #: 139 total cpu time spent up to now is 14.5 secs Computing kpt #: 140 total cpu time spent up to now is 14.6 secs Computing kpt #: 141 total cpu time spent up to now is 14.7 secs Computing kpt #: 142 total cpu time spent up to now is 14.8 secs Computing kpt #: 143 total cpu time spent up to now is 14.9 secs Computing kpt #: 144 total cpu time spent up to now is 15.0 secs Computing kpt #: 145 total cpu time spent up to now is 15.1 secs Computing kpt #: 146 total cpu time spent up to now is 15.1 secs Computing kpt #: 147 total cpu time spent up to now is 15.2 secs Computing kpt #: 148 total cpu time spent up to now is 15.3 secs Computing kpt #: 149 total cpu time spent up to now is 15.4 secs Computing kpt #: 150 total cpu time spent up to now is 15.5 secs Computing kpt #: 151 total cpu time spent up to now is 15.6 secs Computing kpt #: 152 total cpu time spent up to now is 15.7 secs Computing kpt #: 153 total cpu time spent up to now is 15.7 secs Computing kpt #: 154 total cpu time spent up to now is 15.8 secs Computing kpt #: 155 total cpu time spent up to now is 15.9 secs Computing kpt #: 156 total cpu time spent up to now is 16.0 secs Computing kpt #: 157 total cpu time spent up to now is 16.1 secs Computing kpt #: 158 total cpu time spent up to now is 16.2 secs Computing kpt #: 159 total cpu time spent up to now is 16.3 secs Computing kpt #: 160 total cpu time spent up to now is 16.3 secs Computing kpt #: 161 total cpu time spent up to now is 16.4 secs Computing kpt #: 162 total cpu time spent up to now is 16.5 secs Computing kpt #: 163 total cpu time spent up to now is 16.6 secs Computing kpt #: 164 total cpu time spent up to now is 16.7 secs Computing kpt #: 165 total cpu time spent up to now is 16.8 secs Computing kpt #: 166 total cpu time spent up to now is 16.9 secs Computing kpt #: 167 total cpu time spent up to now is 17.0 secs Computing kpt #: 168 total cpu time spent up to now is 17.0 secs Computing kpt #: 169 total cpu time spent up to now is 17.1 secs Computing kpt #: 170 total cpu time spent up to now is 17.2 secs Computing kpt #: 171 total cpu time spent up to now is 17.3 secs Computing kpt #: 172 total cpu time spent up to now is 17.4 secs Computing kpt #: 173 total cpu time spent up to now is 17.5 secs Computing kpt #: 174 total cpu time spent up to now is 17.5 secs Computing kpt #: 175 total cpu time spent up to now is 17.6 secs Computing kpt #: 176 total cpu time spent up to now is 17.7 secs Computing kpt #: 177 total cpu time spent up to now is 17.8 secs Computing kpt #: 178 total cpu time spent up to now is 17.9 secs Computing kpt #: 179 total cpu time spent up to now is 18.0 secs Computing kpt #: 180 total cpu time spent up to now is 18.0 secs Computing kpt #: 181 total cpu time spent up to now is 18.1 secs Computing kpt #: 182 total cpu time spent up to now is 18.2 secs Computing kpt #: 183 total cpu time spent up to now is 18.3 secs Computing kpt #: 184 total cpu time spent up to now is 18.4 secs Computing kpt #: 185 total cpu time spent up to now is 18.4 secs Computing kpt #: 186 total cpu time spent up to now is 18.5 secs Computing kpt #: 187 total cpu time spent up to now is 18.6 secs Computing kpt #: 188 total cpu time spent up to now is 18.7 secs Computing kpt #: 189 total cpu time spent up to now is 18.8 secs Computing kpt #: 190 total cpu time spent up to now is 18.8 secs Computing kpt #: 191 total cpu time spent up to now is 18.9 secs Computing kpt #: 192 total cpu time spent up to now is 19.0 secs Computing kpt #: 193 total cpu time spent up to now is 19.1 secs Computing kpt #: 194 total cpu time spent up to now is 19.1 secs Computing kpt #: 195 total cpu time spent up to now is 19.2 secs Computing kpt #: 196 total cpu time spent up to now is 19.3 secs Computing kpt #: 197 total cpu time spent up to now is 19.4 secs Computing kpt #: 198 total cpu time spent up to now is 19.5 secs Computing kpt #: 199 total cpu time spent up to now is 19.5 secs Computing kpt #: 200 total cpu time spent up to now is 19.6 secs Computing kpt #: 201 total cpu time spent up to now is 19.7 secs Computing kpt #: 202 total cpu time spent up to now is 19.8 secs Computing kpt #: 203 total cpu time spent up to now is 19.8 secs Computing kpt #: 204 total cpu time spent up to now is 19.9 secs Computing kpt #: 205 total cpu time spent up to now is 20.0 secs Computing kpt #: 206 total cpu time spent up to now is 20.1 secs Computing kpt #: 207 total cpu time spent up to now is 20.1 secs Computing kpt #: 208 total cpu time spent up to now is 20.2 secs Computing kpt #: 209 total cpu time spent up to now is 20.3 secs Computing kpt #: 210 total cpu time spent up to now is 20.4 secs Computing kpt #: 211 total cpu time spent up to now is 20.4 secs Computing kpt #: 212 total cpu time spent up to now is 20.5 secs Computing kpt #: 213 total cpu time spent up to now is 20.6 secs Computing kpt #: 214 total cpu time spent up to now is 20.6 secs Computing kpt #: 215 total cpu time spent up to now is 20.7 secs Computing kpt #: 216 total cpu time spent up 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Computing kpt #: 232 total cpu time spent up to now is 22.0 secs Computing kpt #: 233 total cpu time spent up to now is 22.1 secs Computing kpt #: 234 total cpu time spent up to now is 22.1 secs Computing kpt #: 235 total cpu time spent up to now is 22.2 secs Computing kpt #: 236 total cpu time spent up to now is 22.3 secs Computing kpt #: 237 total cpu time spent up to now is 22.4 secs Computing kpt #: 238 total cpu time spent up to now is 22.4 secs Computing kpt #: 239 total cpu time spent up to now is 22.5 secs Computing kpt #: 240 total cpu time spent up to now is 22.6 secs Computing kpt #: 241 total cpu time spent up to now is 22.7 secs Computing kpt #: 242 total cpu time spent up to now is 22.7 secs Computing kpt #: 243 total cpu time spent up to now is 22.8 secs Computing kpt #: 244 total cpu time spent up to now is 22.9 secs Computing kpt #: 245 total cpu time spent up to now is 22.9 secs Computing kpt #: 246 total cpu time spent up to now is 23.0 secs Computing kpt #: 247 total cpu time spent up to now is 23.1 secs Computing kpt #: 248 total cpu time spent up to now is 23.2 secs Computing kpt #: 249 total cpu time spent up to now is 23.2 secs Computing kpt #: 250 total cpu time spent up to now is 23.3 secs Computing kpt #: 251 total cpu time spent up to now is 23.4 secs Computing kpt #: 252 total cpu time spent up to now is 23.5 secs Computing kpt #: 253 total cpu time spent up to now is 23.5 secs Computing kpt #: 254 total cpu time spent up to now is 23.6 secs Computing kpt #: 255 total cpu time spent up to now is 23.7 secs Computing kpt #: 256 total cpu time spent up to now is 23.8 secs Computing kpt #: 257 total cpu time spent up to now is 23.8 secs Computing kpt #: 258 total cpu time spent up to now is 23.9 secs Computing kpt #: 259 total cpu time spent up to now is 24.0 secs Computing kpt #: 260 total cpu time spent up to now is 24.0 secs Computing kpt #: 261 total cpu time spent up to now is 24.1 secs Computing kpt #: 262 total cpu time spent up to now is 24.2 secs Computing kpt #: 263 total cpu time spent up to now is 24.3 secs Computing kpt #: 264 total cpu time spent up to now is 24.4 secs Computing kpt #: 265 total cpu time spent up to now is 24.4 secs Computing kpt #: 266 total cpu time spent up to now is 24.5 secs Computing kpt #: 267 total cpu time spent up to now is 24.6 secs Computing kpt #: 268 total cpu time spent up to now is 24.6 secs Computing kpt #: 269 total cpu time spent up to now is 24.7 secs Computing kpt #: 270 total cpu time spent up to now is 24.8 secs Computing kpt #: 271 total cpu time spent up to now is 24.9 secs Computing kpt #: 272 total cpu time spent up to now is 24.9 secs Computing kpt #: 273 total cpu time spent up to now is 25.0 secs Computing kpt #: 274 total cpu time spent up to now is 25.1 secs Computing kpt #: 275 total cpu time spent up to now is 25.2 secs Computing kpt #: 276 total cpu time spent up to now is 25.2 secs Computing kpt #: 277 total cpu time spent up to now is 25.3 secs Computing kpt #: 278 total cpu time spent up to now is 25.4 secs Computing kpt #: 279 total cpu time spent up to now is 25.5 secs Computing kpt #: 280 total cpu time spent up to now is 25.6 secs Computing kpt #: 281 total cpu time spent up to now is 25.6 secs Computing kpt #: 282 total cpu time spent up to now is 25.7 secs Computing kpt #: 283 total cpu time spent up to now is 25.8 secs Computing kpt #: 284 total cpu time spent up to now is 25.9 secs Computing kpt #: 285 total cpu time spent up to now is 25.9 secs Computing kpt #: 286 total cpu time spent up to now is 26.0 secs Computing kpt #: 287 total cpu time spent up to now is 26.1 secs Computing kpt #: 288 total cpu time spent up to now is 26.2 secs Computing kpt #: 289 total cpu time spent up to now is 26.2 secs Computing kpt #: 290 total cpu time spent up to now is 26.3 secs Computing kpt #: 291 total cpu time spent up to now is 26.4 secs Computing kpt #: 292 total cpu time spent up to now is 26.5 secs Computing kpt #: 293 total cpu time spent up to now is 26.6 secs Computing kpt #: 294 total cpu time spent up to now is 26.6 secs Computing kpt #: 295 total cpu time spent up to now is 26.7 secs Computing kpt #: 296 total cpu time spent up to now is 26.8 secs Computing kpt #: 297 total cpu time spent up to now is 26.9 secs Computing kpt #: 298 total cpu time spent up to now is 27.0 secs Computing kpt #: 299 total cpu time spent up to now is 27.1 secs Computing kpt #: 300 total cpu time spent up to now is 27.1 secs Computing kpt #: 301 total cpu time spent up to now is 27.2 secs Computing kpt #: 302 total cpu time spent up to now is 27.3 secs Computing kpt #: 303 total cpu time spent up to now is 27.4 secs Computing kpt #: 304 total cpu time spent up to now is 27.5 secs Computing kpt #: 305 total cpu time spent up to now is 27.6 secs Computing kpt #: 306 total cpu time spent up to now is 27.6 secs Computing kpt #: 307 total cpu time spent up to now is 27.7 secs Computing kpt #: 308 total cpu time spent up to now is 27.8 secs Computing kpt #: 309 total cpu time spent up to now is 27.9 secs Computing kpt #: 310 total cpu time spent up to now is 28.0 secs Computing kpt #: 311 total cpu time spent up to now is 28.1 secs Computing kpt #: 312 total cpu time spent up to now is 28.2 secs Computing kpt #: 313 total cpu time spent up to now is 28.3 secs Computing kpt #: 314 total cpu time spent up to now is 28.4 secs Computing kpt #: 315 total cpu time spent up to now is 28.5 secs Computing kpt #: 316 total cpu time spent up to now is 28.6 secs Computing kpt #: 317 total cpu time spent up to now is 28.7 secs Computing kpt #: 318 total cpu time spent up to now is 28.8 secs Computing kpt #: 319 total cpu time spent up to now is 28.9 secs Computing kpt #: 320 total cpu time spent up to now is 29.0 secs Computing kpt #: 321 total cpu time spent up to now is 29.1 secs Computing kpt #: 322 total cpu time spent up to now is 29.2 secs Computing kpt #: 323 total cpu time spent up to now is 29.3 secs Computing kpt #: 324 total cpu time spent up to now is 29.5 secs Computing kpt #: 325 total cpu time spent up to now is 29.6 secs Computing kpt #: 326 total cpu time spent up to now is 29.7 secs Computing kpt #: 327 total cpu time spent up to now is 29.8 secs Computing kpt #: 328 total cpu time spent up to now is 29.9 secs Computing kpt #: 329 total cpu time spent up to now is 30.0 secs Computing kpt #: 330 total cpu time spent up to now is 30.1 secs Computing kpt #: 331 total cpu time spent up to now is 30.2 secs Computing kpt #: 332 total cpu time spent up to now is 30.3 secs Computing kpt #: 333 total cpu time spent up to now is 30.4 secs Computing kpt #: 334 total cpu time spent up to now is 30.5 secs Computing kpt #: 335 total cpu time spent up to now is 30.6 secs Computing kpt #: 336 total cpu time spent up to now is 30.7 secs Computing kpt #: 337 total cpu time spent up to now is 30.8 secs Computing kpt #: 338 total cpu time spent up to now is 30.9 secs Computing kpt #: 339 total cpu time spent up to now is 31.0 secs Computing kpt #: 340 total cpu time spent up to now is 31.1 secs Computing kpt #: 341 total cpu time spent up to now is 31.2 secs Computing kpt #: 342 total cpu time spent up to now is 31.3 secs Computing kpt #: 343 total cpu time spent up to now is 31.4 secs Computing kpt #: 344 total cpu time spent up to now is 31.5 secs Computing kpt #: 345 total cpu time spent up to now is 31.5 secs Computing kpt #: 346 total cpu time spent up to now is 31.6 secs Computing kpt #: 347 total cpu time spent up to now is 31.7 secs Computing kpt #: 348 total cpu time spent up to now is 31.8 secs Computing kpt #: 349 total cpu time spent up to now is 31.9 secs Computing kpt #: 350 total cpu time spent up to now is 32.0 secs Computing kpt #: 351 total cpu time spent up to now is 32.1 secs Computing kpt #: 352 total cpu time spent up to now is 32.2 secs Computing kpt #: 353 total cpu time spent up to now is 32.3 secs Computing kpt #: 354 total cpu time spent up to now is 32.4 secs Computing kpt #: 355 total cpu time spent up to now is 32.5 secs Computing kpt #: 356 total cpu time spent up to now is 32.6 secs Computing kpt #: 357 total cpu time spent up to now is 32.7 secs Computing kpt #: 358 total cpu time spent up to now is 32.8 secs Computing kpt #: 359 total cpu time spent up to now is 32.9 secs Computing kpt #: 360 total cpu time spent up to now is 33.0 secs Computing kpt #: 361 total cpu time spent up to now is 33.1 secs Computing kpt #: 362 total cpu time spent up to now is 33.2 secs Computing kpt #: 363 total cpu time spent up to now is 33.3 secs Computing kpt #: 364 total cpu time spent up to now is 33.4 secs Computing kpt #: 365 total cpu time spent up to now is 33.5 secs Computing kpt #: 366 total cpu time spent up to now is 33.6 secs Computing kpt #: 367 total cpu time spent up to now is 33.7 secs Computing kpt #: 368 total cpu time spent up to now is 33.8 secs Computing kpt #: 369 total cpu time spent up to now is 33.9 secs Computing kpt #: 370 total cpu time spent up to now is 34.0 secs Computing kpt #: 371 total cpu time spent up to now is 34.1 secs Computing kpt #: 372 total cpu time spent up to now is 34.2 secs Computing kpt #: 373 total cpu time spent up to now is 34.3 secs Computing kpt #: 374 total cpu time spent up to now is 34.4 secs Computing kpt #: 375 total cpu time spent up to now is 34.5 secs Computing kpt #: 376 total cpu time spent up to now is 34.6 secs Computing kpt #: 377 total cpu time spent up to now is 34.7 secs Computing kpt #: 378 total cpu time spent up to now is 34.8 secs Computing kpt #: 379 total cpu time spent up to now is 34.9 secs Computing kpt #: 380 total cpu time spent up to now is 35.0 secs Computing kpt #: 381 total cpu time spent up to now is 35.1 secs Computing kpt #: 382 total cpu time spent up to now is 35.2 secs Computing kpt #: 383 total cpu time spent up to now is 35.3 secs Computing kpt #: 384 total cpu time spent up to now is 35.4 secs Computing kpt #: 385 total cpu time spent up to now is 35.5 secs Computing kpt #: 386 total cpu time spent up to now is 35.6 secs Computing kpt #: 387 total cpu time spent up to now is 35.7 secs Computing kpt #: 388 total cpu time spent up to now is 35.8 secs Computing kpt #: 389 total cpu time spent up to now is 35.9 secs Computing kpt #: 390 total cpu time spent up to now is 36.0 secs Computing kpt #: 391 total cpu time spent up to now is 36.1 secs Computing kpt #: 392 total cpu time spent up to now is 36.2 secs Computing kpt #: 393 total cpu time spent up to now is 36.3 secs Computing kpt #: 394 total cpu time spent up to now is 36.4 secs Computing kpt #: 395 total cpu time spent up to now is 36.5 secs Computing kpt #: 396 total cpu time spent up to now is 36.6 secs Computing kpt #: 397 total cpu time spent up to now is 36.7 secs Computing kpt #: 398 total cpu time spent up to now is 36.8 secs Computing kpt #: 399 total cpu time spent up to now is 36.9 secs Computing kpt #: 400 total cpu time spent up to now is 37.0 secs Computing kpt #: 401 total cpu time spent up to now is 37.1 secs Computing kpt #: 402 total cpu time spent up to now is 37.2 secs Computing kpt #: 403 total cpu time spent up to now is 37.3 secs Computing kpt #: 404 total cpu time spent up to now is 37.4 secs Computing kpt #: 405 total cpu time spent up to now is 37.5 secs Computing kpt #: 406 total cpu time spent up to now is 37.6 secs Computing kpt #: 407 total cpu time spent up to now is 37.7 secs Computing kpt #: 408 total cpu time spent up to now is 37.8 secs Computing kpt #: 409 total cpu time spent up to now is 37.9 secs Computing kpt #: 410 total cpu time spent up to now is 38.0 secs Computing kpt #: 411 total cpu time spent up to now is 38.1 secs Computing kpt #: 412 total cpu time spent up to now is 38.2 secs Computing kpt #: 413 total cpu time spent up to now is 38.2 secs Computing kpt #: 414 total cpu time spent up to now is 38.3 secs Computing kpt #: 415 total cpu time spent up to now is 38.4 secs Computing kpt #: 416 total cpu time spent up to now is 38.5 secs Computing kpt #: 417 total cpu time spent up to now is 38.6 secs Computing kpt #: 418 total cpu time spent up to now is 38.7 secs Computing kpt #: 419 total cpu time spent up to now is 38.8 secs Computing kpt #: 420 total cpu time spent up to now is 38.9 secs Computing kpt #: 421 total cpu time spent up to now is 39.0 secs Computing kpt #: 422 total cpu time spent up to now is 39.0 secs Computing kpt #: 423 total cpu time spent up to now is 39.1 secs Computing kpt #: 424 total cpu time spent up to now is 39.2 secs Computing kpt #: 425 total cpu time spent up to now is 39.3 secs Computing kpt #: 426 total cpu time spent up to now is 39.4 secs Computing kpt #: 427 total cpu time spent up to now is 39.5 secs Computing kpt #: 428 total cpu time spent up to now is 39.6 secs Computing kpt #: 429 total cpu time spent up to now is 39.7 secs Computing kpt #: 430 total cpu time spent up to now is 39.7 secs Computing kpt #: 431 total cpu time spent up to now is 39.8 secs Computing kpt #: 432 total cpu time spent up to now is 39.9 secs Computing kpt #: 433 total cpu time spent up to now is 40.0 secs Computing kpt #: 434 total cpu time spent up to now is 40.1 secs Computing kpt #: 435 total cpu time spent up to now is 40.2 secs Computing kpt #: 436 total cpu time spent up to now is 40.2 secs Computing kpt #: 437 total cpu time spent up to now is 40.3 secs Computing kpt #: 438 total cpu time spent up to now is 40.4 secs Computing kpt #: 439 total cpu time spent up to now is 40.5 secs Computing kpt #: 440 total cpu time spent up to now is 40.6 secs Computing kpt #: 441 total cpu time spent up to now is 40.7 secs Computing kpt #: 442 total cpu time spent up to now is 40.7 secs Computing kpt #: 443 total cpu time spent up to now is 40.8 secs Computing kpt #: 444 total cpu time spent up to now is 40.9 secs Computing kpt #: 445 total cpu time spent up to now is 41.0 secs Computing kpt #: 446 total cpu time spent up to now is 41.1 secs Computing kpt #: 447 total cpu time spent up to now is 41.1 secs Computing kpt #: 448 total cpu time spent up to now is 41.2 secs Computing kpt #: 449 total cpu time spent up to now is 41.3 secs Computing kpt #: 450 total cpu time spent up to now is 41.4 secs Computing kpt #: 451 total cpu time spent up to now is 41.5 secs Computing kpt #: 452 total cpu time spent up to now is 41.6 secs ethr = 8.33E-08, avg # of iterations = 14.3 total cpu time spent up to now is 41.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1433 PWs) bands (ev): -43.5134 -43.5134 -19.8439 -19.8439 -19.1751 -19.1751 -19.1750 -19.1750 7.1202 7.1202 13.9978 13.9978 13.9978 13.9978 14.0253 14.0253 15.7363 15.7363 15.7363 15.7363 k = 0.0052-0.0037 0.0064 ( 1449 PWs) bands (ev): -43.5133 -43.5133 -19.8440 -19.8440 -19.1753 -19.1753 -19.1752 -19.1752 7.1220 7.1220 13.9976 13.9976 13.9982 13.9982 14.0254 14.0254 15.7347 15.7347 15.7368 15.7368 k = 0.0104-0.0074 0.0128 ( 1457 PWs) bands (ev): -43.5131 -43.5131 -19.8445 -19.8445 -19.1759 -19.1759 -19.1755 -19.1755 7.1275 7.1275 13.9970 13.9970 13.9992 13.9992 14.0258 14.0258 15.7299 15.7299 15.7386 15.7386 k = 0.0156-0.0110 0.0191 ( 1457 PWs) bands (ev): -43.5128 -43.5128 -19.8452 -19.8452 -19.1769 -19.1769 -19.1761 -19.1761 7.1367 7.1367 13.9961 13.9961 14.0008 14.0008 14.0267 14.0267 15.7219 15.7219 15.7416 15.7416 k = 0.0208-0.0147 0.0255 ( 1457 PWs) bands (ev): -43.5124 -43.5124 -19.8463 -19.8463 -19.1783 -19.1783 -19.1768 -19.1768 7.1496 7.1496 13.9947 13.9947 14.0023 14.0023 14.0286 14.0286 15.7108 15.7108 15.7457 15.7457 k = 0.0260-0.0184 0.0319 ( 1457 PWs) bands (ev): -43.5118 -43.5118 -19.8476 -19.8476 -19.1802 -19.1802 -19.1778 -19.1778 7.1661 7.1661 13.9931 13.9931 14.0033 14.0033 14.0320 14.0320 15.6965 15.6965 15.7510 15.7510 k = 0.0312-0.0221 0.0383 ( 1457 PWs) bands (ev): -43.5111 -43.5111 -19.8492 -19.8492 -19.1824 -19.1824 -19.1791 -19.1791 7.1862 7.1862 13.9911 13.9911 14.0034 14.0034 14.0373 14.0373 15.6791 15.6791 15.7574 15.7574 k = 0.0365-0.0258 0.0447 ( 1457 PWs) bands (ev): -43.5102 -43.5102 -19.8512 -19.8512 -19.1850 -19.1850 -19.1805 -19.1805 7.2099 7.2099 13.9888 13.9888 14.0027 14.0027 14.0445 14.0445 15.6587 15.6587 15.7650 15.7650 k = 0.0417-0.0295 0.0510 ( 1457 PWs) bands (ev): -43.5092 -43.5092 -19.8534 -19.8534 -19.1881 -19.1881 -19.1822 -19.1822 7.2372 7.2372 13.9862 13.9862 14.0012 14.0012 14.0536 14.0536 15.6352 15.6352 15.7736 15.7736 k = 0.0469-0.0331 0.0574 ( 1457 PWs) bands (ev): -43.5082 -43.5082 -19.8559 -19.8559 -19.1915 -19.1915 -19.1841 -19.1841 7.2681 7.2681 13.9834 13.9834 13.9992 13.9992 14.0642 14.0642 15.6086 15.6086 15.7833 15.7833 k = 0.0521-0.0368 0.0638 ( 1457 PWs) bands (ev): -43.5069 -43.5069 -19.8587 -19.8587 -19.1952 -19.1952 -19.1862 -19.1862 7.3024 7.3024 13.9804 13.9804 13.9967 13.9967 14.0764 14.0764 15.5791 15.5791 15.7941 15.7941 k = 0.0573-0.0405 0.0702 ( 1457 PWs) bands (ev): -43.5056 -43.5056 -19.8617 -19.8617 -19.1993 -19.1993 -19.1885 -19.1885 7.3403 7.3403 13.9772 13.9772 13.9940 13.9940 14.0901 14.0901 15.5468 15.5468 15.8058 15.8058 k = 0.0625-0.0442 0.0765 ( 1457 PWs) bands (ev): -43.5042 -43.5042 -19.8651 -19.8651 -19.2038 -19.2038 -19.1910 -19.1910 7.3816 7.3816 13.9740 13.9740 13.9911 13.9911 14.1051 14.1051 15.5115 15.5115 15.8186 15.8186 k = 0.0677-0.0479 0.0829 ( 1461 PWs) bands (ev): -43.5026 -43.5026 -19.8687 -19.8687 -19.2086 -19.2086 -19.1937 -19.1937 7.4263 7.4263 13.9707 13.9707 13.9881 13.9881 14.1215 14.1215 15.4735 15.4735 15.8322 15.8322 k = 0.0729-0.0516 0.0893 ( 1461 PWs) bands (ev): -43.5009 -43.5009 -19.8725 -19.8725 -19.2137 -19.2137 -19.1967 -19.1967 7.4743 7.4743 13.9674 13.9674 13.9850 13.9850 14.1392 14.1392 15.4328 15.4328 15.8467 15.8467 k = 0.0781-0.0552 0.0957 ( 1461 PWs) bands (ev): -43.4991 -43.4991 -19.8767 -19.8767 -19.2191 -19.2191 -19.1998 -19.1998 7.5257 7.5257 13.9641 13.9641 13.9820 13.9820 14.1582 14.1582 15.3894 15.3894 15.8620 15.8620 k = 0.0833-0.0589 0.1021 ( 1453 PWs) bands (ev): -43.4972 -43.4972 -19.8810 -19.8810 -19.2248 -19.2248 -19.2032 -19.2032 7.5802 7.5802 13.9610 13.9610 13.9790 13.9790 14.1785 14.1785 15.3434 15.3434 15.8781 15.8781 k = 0.0885-0.0626 0.1084 ( 1453 PWs) bands (ev): -43.4952 -43.4952 -19.8856 -19.8856 -19.2308 -19.2308 -19.2068 -19.2068 7.6380 7.6380 13.9581 13.9581 13.9763 13.9763 14.2000 14.2000 15.2950 15.2950 15.8950 15.8950 k = 0.0938-0.0663 0.1148 ( 1453 PWs) bands (ev): -43.4931 -43.4931 -19.8905 -19.8905 -19.2370 -19.2370 -19.2105 -19.2105 7.6988 7.6988 13.9554 13.9554 13.9737 13.9737 14.2228 14.2228 15.2441 15.2441 15.9124 15.9124 k = 0.0990-0.0700 0.1212 ( 1453 PWs) bands (ev): -43.4909 -43.4909 -19.8956 -19.8956 -19.2435 -19.2435 -19.2145 -19.2145 7.7627 7.7627 13.9530 13.9530 13.9714 13.9714 14.2467 14.2467 15.1910 15.1910 15.9305 15.9305 k = 0.1042-0.0737 0.1276 ( 1453 PWs) bands (ev): -43.4885 -43.4885 -19.9009 -19.9009 -19.2503 -19.2503 -19.2186 -19.2186 7.8296 7.8296 13.9509 13.9509 13.9695 13.9695 14.2718 14.2718 15.1356 15.1356 15.9492 15.9492 k = 0.1094-0.0773 0.1340 ( 1453 PWs) bands (ev): -43.4861 -43.4861 -19.9064 -19.9064 -19.2572 -19.2572 -19.2229 -19.2229 7.8993 7.8993 13.9493 13.9493 13.9681 13.9681 14.2981 14.2981 15.0781 15.0781 15.9683 15.9683 k = 0.1146-0.0810 0.1403 ( 1457 PWs) bands (ev): -43.4836 -43.4836 -19.9121 -19.9121 -19.2643 -19.2643 -19.2274 -19.2274 7.9718 7.9718 13.9482 13.9482 13.9671 13.9671 14.3256 14.3256 15.0186 15.0186 15.9878 15.9878 k = 0.1198-0.0847 0.1467 ( 1457 PWs) bands (ev): -43.4810 -43.4810 -19.9180 -19.9180 -19.2717 -19.2717 -19.2321 -19.2321 8.0470 8.0470 13.9476 13.9476 13.9667 13.9667 14.3541 14.3541 14.9571 14.9571 16.0077 16.0077 k = 0.1250-0.0884 0.1531 ( 1449 PWs) bands (ev): -43.4784 -43.4784 -19.9241 -19.9241 -19.2792 -19.2792 -19.2370 -19.2370 8.1249 8.1249 13.9477 13.9477 13.9669 13.9669 14.3837 14.3837 14.8938 14.8938 16.0279 16.0279 k = 0.1302-0.0921 0.1595 ( 1453 PWs) bands (ev): -43.4756 -43.4756 -19.9303 -19.9303 -19.2868 -19.2868 -19.2420 -19.2420 8.2052 8.2052 13.9484 13.9484 13.9678 13.9678 14.4143 14.4143 14.8289 14.8289 16.0483 16.0483 k = 0.1354-0.0958 0.1659 ( 1457 PWs) bands (ev): -43.4728 -43.4728 -19.9367 -19.9367 -19.2946 -19.2946 -19.2472 -19.2472 8.2879 8.2879 13.9499 13.9499 13.9695 13.9695 14.4459 14.4459 14.7624 14.7624 16.0689 16.0689 k = 0.1406-0.0994 0.1722 ( 1445 PWs) bands (ev): -43.4699 -43.4699 -19.9433 -19.9433 -19.3025 -19.3025 -19.2525 -19.2525 8.3729 8.3729 13.9523 13.9523 13.9720 13.9720 14.4783 14.4783 14.6946 14.6946 16.0896 16.0896 k = 0.1458-0.1031 0.1786 ( 1445 PWs) bands (ev): -43.4669 -43.4669 -19.9500 -19.9500 -19.3105 -19.3105 -19.2580 -19.2580 8.4601 8.4601 13.9555 13.9555 13.9753 13.9753 14.5108 14.5108 14.6262 14.6262 16.1104 16.1104 k = 0.1510-0.1068 0.1850 ( 1445 PWs) bands (ev): -43.4639 -43.4639 -19.9568 -19.9568 -19.3186 -19.3186 -19.2637 -19.2637 8.5493 8.5493 13.9597 13.9597 13.9797 13.9797 14.5324 14.5324 14.5685 14.5685 16.1312 16.1312 k = 0.1562-0.1105 0.1914 ( 1445 PWs) bands (ev): -43.4608 -43.4608 -19.9638 -19.9638 -19.3268 -19.3268 -19.2695 -19.2695 8.6404 8.6404 13.9649 13.9649 13.9850 13.9850 14.4771 14.4771 14.5873 14.5873 16.1520 16.1520 k = 0.1615-0.1142 0.1977 ( 1445 PWs) bands (ev): -43.4577 -43.4577 -19.9708 -19.9708 -19.3350 -19.3350 -19.2754 -19.2754 8.7332 8.7332 13.9711 13.9711 13.9914 13.9914 14.4054 14.4054 14.6225 14.6225 16.1727 16.1727 k = 0.1667-0.1179 0.2041 ( 1445 PWs) bands (ev): -43.4545 -43.4545 -19.9779 -19.9779 -19.3433 -19.3433 -19.2815 -19.2815 8.8277 8.8277 13.9785 13.9785 13.9989 13.9989 14.3316 14.3316 14.6595 14.6595 16.1933 16.1933 k = 0.1719-0.1215 0.2105 ( 1445 PWs) bands (ev): -43.4512 -43.4512 -19.9851 -19.9851 -19.3516 -19.3516 -19.2877 -19.2877 8.9236 8.9236 13.9871 13.9871 14.0075 14.0075 14.2567 14.2567 14.6977 14.6977 16.2138 16.2138 k = 0.1771-0.1252 0.2169 ( 1445 PWs) bands (ev): -43.4479 -43.4479 -19.9924 -19.9924 -19.3600 -19.3600 -19.2941 -19.2941 9.0208 9.0208 13.9969 13.9969 14.0172 14.0172 14.1811 14.1811 14.7367 14.7367 16.2341 16.2341 k = 0.1823-0.1289 0.2233 ( 1441 PWs) bands (ev): -43.4446 -43.4446 -19.9997 -19.9997 -19.3683 -19.3683 -19.3005 -19.3005 9.1191 9.1191 14.0079 14.0079 14.0275 14.0275 14.1055 14.1055 14.7767 14.7767 16.2544 16.2544 k = 0.1875-0.1326 0.2296 ( 1441 PWs) bands (ev): -43.4412 -43.4412 -20.0070 -20.0070 -19.3766 -19.3766 -19.3071 -19.3071 9.2182 9.2182 14.0199 14.0199 14.0204 14.0204 14.0485 14.0485 14.8173 14.8173 16.2747 16.2747 k = 0.1927-0.1363 0.2360 ( 1437 PWs) bands (ev): -43.4378 -43.4378 -20.0144 -20.0144 -19.3849 -19.3849 -19.3137 -19.3137 9.3181 9.3181 13.9473 13.9473 14.0342 14.0342 14.0574 14.0574 14.8588 14.8588 16.2949 16.2949 k = 0.1979-0.1399 0.2424 ( 1445 PWs) bands (ev): -43.4344 -43.4344 -20.0218 -20.0218 -19.3932 -19.3932 -19.3205 -19.3205 9.4184 9.4184 13.8698 13.8698 14.0494 14.0494 14.0723 14.0723 14.9009 14.9009 16.3151 16.3151 k = 0.2031-0.1436 0.2488 ( 1445 PWs) bands (ev): -43.4310 -43.4310 -20.0292 -20.0292 -19.4014 -19.4014 -19.3273 -19.3273 9.5190 9.5190 13.7915 13.7915 14.0661 14.0661 14.0890 14.0890 14.9436 14.9436 16.3355 16.3355 k = 0.2083-0.1473 0.2552 ( 1445 PWs) bands (ev): -43.4275 -43.4275 -20.0366 -20.0366 -19.4096 -19.4096 -19.3342 -19.3342 9.6197 9.6197 13.7130 13.7130 14.0844 14.0844 14.1074 14.1074 14.9870 14.9870 16.3561 16.3561 k = 0.2135-0.1510 0.2615 ( 1445 PWs) bands (ev): -43.4241 -43.4241 -20.0440 -20.0440 -19.4176 -19.4176 -19.3412 -19.3412 9.7200 9.7200 13.6343 13.6343 14.1042 14.1042 14.1273 14.1273 15.0309 15.0309 16.3770 16.3770 k = 0.2188-0.1547 0.2679 ( 1445 PWs) bands (ev): -43.4206 -43.4206 -20.0513 -20.0513 -19.4257 -19.4257 -19.3483 -19.3483 9.8199 9.8199 13.5556 13.5556 14.1256 14.1256 14.1489 14.1489 15.0753 15.0753 16.3985 16.3985 k = 0.2240-0.1584 0.2743 ( 1441 PWs) bands (ev): -43.4171 -43.4171 -20.0586 -20.0586 -19.4336 -19.4336 -19.3554 -19.3554 9.9190 9.9190 13.4769 13.4769 14.1486 14.1486 14.1722 14.1722 15.1202 15.1202 16.4207 16.4207 k = 0.2292-0.1620 0.2807 ( 1441 PWs) bands (ev): -43.4136 -43.4136 -20.0659 -20.0659 -19.4414 -19.4414 -19.3626 -19.3626 10.0170 10.0170 13.3984 13.3984 14.1733 14.1733 14.1971 14.1971 15.1655 15.1655 16.4438 16.4438 k = 0.2344-0.1657 0.2870 ( 1441 PWs) bands (ev): -43.4101 -43.4101 -20.0731 -20.0731 -19.4491 -19.4491 -19.3698 -19.3698 10.1137 10.1137 13.3202 13.3202 14.1996 14.1996 14.2237 14.2237 15.2112 15.2112 16.4680 16.4680 k = 0.2396-0.1694 0.2934 ( 1437 PWs) bands (ev): -43.4067 -43.4067 -20.0802 -20.0802 -19.4567 -19.4567 -19.3771 -19.3771 10.2086 10.2086 13.2423 13.2423 14.2277 14.2277 14.2520 14.2520 15.2573 15.2573 16.4936 16.4936 k = 0.2448-0.1731 0.2998 ( 1437 PWs) bands (ev): -43.4032 -43.4032 -20.0872 -20.0872 -19.4642 -19.4642 -19.3844 -19.3844 10.3016 10.3016 13.1647 13.1647 14.2575 14.2575 14.2821 14.2821 15.3037 15.3037 16.5210 16.5210 k = 0.2500-0.1768 0.3062 ( 1437 PWs) bands (ev): -43.3997 -43.3997 -20.0942 -20.0942 -19.4715 -19.4715 -19.3917 -19.3917 10.3921 10.3921 13.0877 13.0877 14.2891 14.2891 14.3139 14.3139 15.3503 15.3503 16.5503 16.5503 k = 0.2552-0.1805 0.3126 ( 1437 PWs) bands (ev): -43.3963 -43.3963 -20.1010 -20.1010 -19.4787 -19.4787 -19.3991 -19.3991 10.4800 10.4800 13.0113 13.0113 14.3224 14.3224 14.3475 14.3475 15.3971 15.3971 16.5820 16.5820 k = 0.2604-0.1841 0.3189 ( 1437 PWs) bands (ev): -43.3929 -43.3929 -20.1078 -20.1078 -19.4858 -19.4858 -19.4064 -19.4064 10.5649 10.5649 12.9355 12.9355 14.3575 14.3575 14.3829 14.3829 15.4440 15.4440 16.6164 16.6164 k = 0.2656-0.1878 0.3253 ( 1437 PWs) bands (ev): -43.3895 -43.3895 -20.1145 -20.1145 -19.4926 -19.4926 -19.4138 -19.4138 10.6465 10.6465 12.8604 12.8604 14.3944 14.3944 14.4201 14.4201 15.4911 15.4911 16.6538 16.6538 k = 0.2708-0.1915 0.3317 ( 1437 PWs) bands (ev): -43.3862 -43.3862 -20.1210 -20.1210 -19.4994 -19.4994 -19.4211 -19.4211 10.7243 10.7243 12.7860 12.7860 14.4331 14.4331 14.4591 14.4591 15.5382 15.5382 16.6945 16.6945 k = 0.2760-0.1952 0.3381 ( 1437 PWs) bands (ev): -43.3828 -43.3828 -20.1274 -20.1274 -19.5059 -19.5059 -19.4284 -19.4284 10.7982 10.7982 12.7126 12.7126 14.4736 14.4736 14.4999 14.4999 15.5853 15.5853 16.7391 16.7391 k = 0.2812-0.1989 0.3445 ( 1437 PWs) bands (ev): -43.3796 -43.3796 -20.1337 -20.1337 -19.5123 -19.5123 -19.4357 -19.4357 10.8678 10.8678 12.6400 12.6400 14.5160 14.5160 14.5425 14.5425 15.6323 15.6323 16.7877 16.7877 k = 0.2865-0.2026 0.3508 ( 1437 PWs) bands (ev): -43.3763 -43.3763 -20.1399 -20.1399 -19.5185 -19.5185 -19.4429 -19.4429 10.9329 10.9329 12.5684 12.5684 14.5601 14.5601 14.5869 14.5869 15.6793 15.6793 16.8407 16.8407 k = 0.2917-0.2062 0.3572 ( 1437 PWs) bands (ev): -43.3731 -43.3731 -20.1459 -20.1459 -19.5245 -19.5245 -19.4502 -19.4502 10.9933 10.9933 12.4979 12.4979 14.6060 14.6060 14.6331 14.6331 15.7260 15.7260 16.8984 16.8984 k = 0.2969-0.2099 0.3636 ( 1437 PWs) bands (ev): -43.3700 -43.3700 -20.1518 -20.1518 -19.5304 -19.5304 -19.4573 -19.4573 11.0487 11.0487 12.4284 12.4284 14.6537 14.6537 14.6811 14.6811 15.7726 15.7726 16.9611 16.9611 k = 0.3021-0.2136 0.3700 ( 1425 PWs) bands (ev): -43.3669 -43.3669 -20.1576 -20.1576 -19.5360 -19.5360 -19.4644 -19.4644 11.0991 11.0991 12.3601 12.3601 14.7032 14.7032 14.7309 14.7309 15.8189 15.8189 17.0290 17.0290 k = 0.3073-0.2173 0.3764 ( 1425 PWs) bands (ev): -43.3638 -43.3638 -20.1632 -20.1632 -19.5415 -19.5415 -19.4715 -19.4715 11.1442 11.1442 12.2930 12.2930 14.7545 14.7545 14.7824 14.7824 15.8649 15.8649 17.1024 17.1024 k = 0.3125-0.2210 0.3827 ( 1425 PWs) bands (ev): -43.3608 -43.3608 -20.1687 -20.1687 -19.5467 -19.5467 -19.4784 -19.4784 11.1842 11.1842 12.2272 12.2272 14.8075 14.8075 14.8356 14.8356 15.9105 15.9105 17.1812 17.1812 k = 0.3177-0.2247 0.3891 ( 1417 PWs) bands (ev): -43.3578 -43.3578 -20.1741 -20.1741 -19.5518 -19.5518 -19.4853 -19.4853 11.2190 11.2190 12.1626 12.1626 14.8622 14.8622 14.8906 14.8906 15.9557 15.9557 17.2657 17.2657 k = 0.3229-0.2283 0.3955 ( 1417 PWs) bands (ev): -43.3550 -43.3550 -20.1793 -20.1793 -19.5566 -19.5566 -19.4921 -19.4921 11.2486 11.2486 12.0994 12.0994 14.9186 14.9186 14.9472 14.9472 16.0005 16.0005 17.3559 17.3559 k = 0.3281-0.2320 0.4019 ( 1417 PWs) bands (ev): -43.3521 -43.3521 -20.1843 -20.1843 -19.5613 -19.5613 -19.4988 -19.4988 11.2731 11.2731 12.0376 12.0376 14.9766 14.9766 15.0054 15.0054 16.0446 16.0446 17.4517 17.4517 k = 0.3333-0.2357 0.4082 ( 1417 PWs) bands (ev): -43.3494 -43.3494 -20.1892 -20.1892 -19.5657 -19.5657 -19.5054 -19.5054 11.2928 11.2928 11.9772 11.9772 15.0362 15.0362 15.0652 15.0652 16.0882 16.0882 17.5531 17.5531 k = 0.3385-0.2394 0.4146 ( 1417 PWs) bands (ev): -43.3467 -43.3467 -20.1940 -20.1940 -19.5700 -19.5700 -19.5119 -19.5119 11.3078 11.3078 11.9182 11.9182 15.0974 15.0974 15.1266 15.1266 16.1311 16.1311 17.6599 17.6599 k = 0.3438-0.2431 0.4210 ( 1417 PWs) bands (ev): -43.3441 -43.3441 -20.1986 -20.1986 -19.5740 -19.5740 -19.5183 -19.5183 11.3184 11.3184 11.8608 11.8608 15.1600 15.1600 15.1894 15.1894 16.1734 16.1734 17.7720 17.7720 k = 0.3490-0.2468 0.4274 ( 1421 PWs) bands (ev): -43.3415 -43.3415 -20.2031 -20.2031 -19.5779 -19.5779 -19.5245 -19.5245 11.3247 11.3247 11.8050 11.8050 15.2241 15.2241 15.2536 15.2536 16.2149 16.2149 17.8892 17.8892 k = 0.3542-0.2504 0.4338 ( 1421 PWs) bands (ev): -43.3390 -43.3390 -20.2074 -20.2074 -19.5815 -19.5815 -19.5306 -19.5306 11.3272 11.3272 11.7507 11.7507 15.2895 15.2895 15.3192 15.3192 16.2555 16.2555 18.0112 18.0112 k = 0.3594-0.2541 0.4401 ( 1429 PWs) bands (ev): -43.3366 -43.3366 -20.2116 -20.2116 -19.5850 -19.5850 -19.5365 -19.5365 11.3260 11.3260 11.6981 11.6981 15.3562 15.3562 15.3860 15.3860 16.2953 16.2953 18.1377 18.1377 k = 0.3646-0.2578 0.4465 ( 1429 PWs) bands (ev): -43.3343 -43.3343 -20.2156 -20.2156 -19.5883 -19.5883 -19.5424 -19.5424 11.3216 11.3216 11.6471 11.6471 15.4241 15.4241 15.4540 15.4540 16.3342 16.3342 18.2683 18.2683 k = 0.3698-0.2615 0.4529 ( 1429 PWs) bands (ev): -43.3320 -43.3320 -20.2195 -20.2195 -19.5914 -19.5914 -19.5480 -19.5480 11.3143 11.3143 11.5978 11.5978 15.4930 15.4930 15.5230 15.5230 16.3722 16.3722 18.4029 18.4029 k = 0.3750-0.2652 0.4593 ( 1421 PWs) bands (ev): -43.3298 -43.3298 -20.2232 -20.2232 -19.5943 -19.5943 -19.5535 -19.5535 11.3043 11.3043 11.5502 11.5502 15.5629 15.5629 15.5930 15.5930 16.4091 16.4091 18.5408 18.5408 k = 0.3802-0.2688 0.4657 ( 1421 PWs) bands (ev): -43.3277 -43.3277 -20.2268 -20.2268 -19.5970 -19.5970 -19.5588 -19.5588 11.2921 11.2921 11.5043 11.5043 15.6337 15.6337 15.6637 15.6637 16.4449 16.4449 18.6819 18.6819 k = 0.3854-0.2725 0.4720 ( 1421 PWs) bands (ev): -43.3257 -43.3257 -20.2302 -20.2302 -19.5995 -19.5995 -19.5639 -19.5639 11.2780 11.2780 11.4602 11.4602 15.7051 15.7051 15.7352 15.7352 16.4797 16.4797 18.8255 18.8255 k = 0.3906-0.2762 0.4784 ( 1425 PWs) bands (ev): -43.3238 -43.3238 -20.2335 -20.2335 -19.6019 -19.6019 -19.5689 -19.5689 11.2622 11.2622 11.4180 11.4180 15.7771 15.7771 15.8071 15.8071 16.5132 16.5132 18.9713 18.9713 k = 0.3958-0.2799 0.4848 ( 1425 PWs) bands (ev): -43.3219 -43.3219 -20.2366 -20.2366 -19.6041 -19.6041 -19.5737 -19.5737 11.2450 11.2450 11.3775 11.3775 15.8494 15.8494 15.8793 15.8793 16.5456 16.5456 19.1187 19.1187 k = 0.4010-0.2836 0.4912 ( 1433 PWs) bands (ev): -43.3201 -43.3201 -20.2396 -20.2396 -19.6062 -19.6062 -19.5782 -19.5782 11.2269 11.2269 11.3388 11.3388 15.9219 15.9219 15.9517 15.9517 16.5767 16.5767 19.2673 19.2673 k = 0.4062-0.2873 0.4976 ( 1425 PWs) bands (ev): -43.3185 -43.3185 -20.2425 -20.2425 -19.6081 -19.6081 -19.5826 -19.5826 11.2081 11.2081 11.3021 11.3021 15.9943 15.9943 16.0240 16.0240 16.6065 16.6065 19.4164 19.4164 k = 0.4115-0.2909 0.5039 ( 1425 PWs) bands (ev): -43.3169 -43.3169 -20.2451 -20.2451 -19.6098 -19.6098 -19.5868 -19.5868 11.1887 11.1887 11.2672 11.2672 16.0664 16.0664 16.0959 16.0959 16.6349 16.6349 19.5654 19.5654 k = 0.4167-0.2946 0.5103 ( 1424 PWs) bands (ev): -43.3153 -43.3153 -20.2477 -20.2477 -19.6114 -19.6114 -19.5907 -19.5907 11.1692 11.1692 11.2342 11.2342 16.1379 16.1379 16.1671 16.1671 16.6620 16.6620 19.7138 19.7138 k = 0.4219-0.2983 0.5167 ( 1424 PWs) bands (ev): -43.3139 -43.3139 -20.2501 -20.2501 -19.6129 -19.6129 -19.5945 -19.5945 11.1497 11.1497 11.2031 11.2031 16.2086 16.2086 16.2375 16.2375 16.6877 16.6877 19.8608 19.8608 k = 0.4271-0.3020 0.5231 ( 1432 PWs) bands (ev): -43.3126 -43.3126 -20.2523 -20.2523 -19.6142 -19.6142 -19.5980 -19.5980 11.1304 11.1304 11.1739 11.1739 16.2780 16.2780 16.3066 16.3066 16.7119 16.7119 20.0056 20.0056 k = 0.4323-0.3057 0.5294 ( 1432 PWs) bands (ev): -43.3113 -43.3113 -20.2544 -20.2544 -19.6154 -19.6154 -19.6013 -19.6013 11.1116 11.1116 11.1467 11.1467 16.3458 16.3458 16.3740 16.3740 16.7346 16.7346 20.1474 20.1474 k = 0.4375-0.3094 0.5358 ( 1432 PWs) bands (ev): -43.3102 -43.3102 -20.2563 -20.2563 -19.6166 -19.6166 -19.6044 -19.6044 11.0934 11.0934 11.1215 11.1215 16.4117 16.4117 16.4394 16.4394 16.7558 16.7558 20.2853 20.2853 k = 0.4427-0.3130 0.5422 ( 1440 PWs) bands (ev): -43.3091 -43.3091 -20.2581 -20.2581 -19.6175 -19.6175 -19.6072 -19.6072 11.0761 11.0761 11.0982 11.0982 16.4751 16.4751 16.5022 16.5022 16.7755 16.7755 20.4183 20.4183 k = 0.4479-0.3167 0.5486 ( 1440 PWs) bands (ev): -43.3082 -43.3082 -20.2598 -20.2598 -19.6184 -19.6184 -19.6098 -19.6098 11.0597 11.0597 11.0770 11.0770 16.5355 16.5355 16.5621 16.5621 16.7936 16.7936 20.5453 20.5453 k = 0.4531-0.3204 0.5550 ( 1448 PWs) bands (ev): -43.3073 -43.3073 -20.2612 -20.2612 -19.6192 -19.6192 -19.6122 -19.6122 11.0445 11.0445 11.0577 11.0577 16.5926 16.5926 16.6185 16.6185 16.8102 16.8102 20.6652 20.6652 k = 0.4583-0.3241 0.5613 ( 1448 PWs) bands (ev): -43.3065 -43.3065 -20.2626 -20.2626 -19.6199 -19.6199 -19.6143 -19.6143 11.0306 11.0306 11.0404 11.0404 16.6458 16.6458 16.6709 16.6709 16.8252 16.8252 20.7766 20.7766 k = 0.4635-0.3278 0.5677 ( 1456 PWs) bands (ev): -43.3058 -43.3058 -20.2637 -20.2637 -19.6205 -19.6205 -19.6162 -19.6162 11.0180 11.0180 11.0251 11.0251 16.6944 16.6944 16.7185 16.7185 16.8388 16.8388 20.8781 20.8781 k = 0.4688-0.3315 0.5741 ( 1456 PWs) bands (ev): -43.3052 -43.3052 -20.2647 -20.2647 -19.6210 -19.6210 -19.6178 -19.6178 11.0069 11.0069 11.0119 11.0119 16.7380 16.7380 16.7608 16.7608 16.8510 16.8510 20.9680 20.9680 k = 0.4740-0.3351 0.5805 ( 1464 PWs) bands (ev): -43.3047 -43.3047 -20.2656 -20.2656 -19.6214 -19.6214 -19.6192 -19.6192 10.9973 10.9973 11.0007 11.0007 16.7761 16.7761 16.7969 16.7969 16.8622 16.8622 21.0440 21.0440 k = 0.4792-0.3388 0.5869 ( 1464 PWs) bands (ev): -43.3042 -43.3042 -20.2663 -20.2663 -19.6218 -19.6218 -19.6203 -19.6203 10.9894 10.9894 10.9915 10.9915 16.8080 16.8080 16.8258 16.8258 16.8728 16.8728 21.1029 21.1029 k = 0.4844-0.3425 0.5932 ( 1464 PWs) bands (ev): -43.3039 -43.3039 -20.2669 -20.2669 -19.6220 -19.6220 -19.6212 -19.6212 10.9832 10.9832 10.9843 10.9843 16.8334 16.8334 16.8463 16.8463 16.8835 16.8835 21.1398 21.1398 k = 0.4896-0.3462 0.5996 ( 1464 PWs) bands (ev): -43.3037 -43.3037 -20.2672 -20.2672 -19.6222 -19.6222 -19.6219 -19.6219 10.9787 10.9787 10.9792 10.9792 16.8518 16.8518 16.8587 16.8587 16.8937 16.8937 21.1537 21.1537 k = 0.4948-0.3499 0.6060 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2675 -20.2675 -19.6223 -19.6223 -19.6222 -19.6222 10.9760 10.9760 10.9761 10.9761 16.8630 16.8630 16.8649 16.8649 16.9012 16.9012 21.1547 21.1547 k = 0.5000-0.3536 0.6124 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2676 -20.2676 -19.6224 -19.6224 -19.6224 -19.6224 10.9751 10.9751 10.9751 10.9751 16.8667 16.8667 16.8667 16.8667 16.9039 16.9039 21.1538 21.1538 k = 0.5000-0.3536 0.6124 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2676 -20.2676 -19.6224 -19.6224 -19.6224 -19.6224 10.9751 10.9751 10.9751 10.9751 16.8667 16.8667 16.8667 16.8667 16.9039 16.9039 21.1538 21.1538 k = 0.4926-0.3484 0.6124 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2675 -20.2675 -19.6224 -19.6224 -19.6222 -19.6222 10.9760 10.9760 10.9761 10.9761 16.8624 16.8624 16.8654 16.8654 16.9013 16.9013 21.1549 21.1549 k = 0.4853-0.3432 0.6124 ( 1464 PWs) bands (ev): -43.3037 -43.3037 -20.2672 -20.2672 -19.6224 -19.6224 -19.6216 -19.6216 10.9788 10.9788 10.9791 10.9791 16.8494 16.8494 16.8599 16.8599 16.8950 16.8950 21.1573 21.1573 k = 0.4779-0.3380 0.6124 ( 1464 PWs) bands (ev): -43.3039 -43.3039 -20.2669 -20.2669 -19.6225 -19.6225 -19.6207 -19.6207 10.9835 10.9835 10.9840 10.9840 16.8276 16.8276 16.8464 16.8464 16.8893 16.8893 21.1586 21.1586 k = 0.4706-0.3328 0.6124 ( 1464 PWs) bands (ev): -43.3042 -43.3042 -20.2663 -20.2663 -19.6227 -19.6227 -19.6195 -19.6195 10.9900 10.9900 10.9909 10.9909 16.7969 16.7969 16.8229 16.8229 16.8869 16.8869 21.1559 21.1559 k = 0.4632-0.3276 0.6124 ( 1464 PWs) bands (ev): -43.3047 -43.3047 -20.2656 -20.2656 -19.6228 -19.6228 -19.6178 -19.6178 10.9983 10.9983 10.9996 10.9996 16.7577 16.7577 16.7909 16.7909 16.8866 16.8866 21.1469 21.1469 k = 0.4559-0.3224 0.6124 ( 1456 PWs) bands (ev): -43.3052 -43.3052 -20.2648 -20.2648 -19.6230 -19.6230 -19.6158 -19.6158 11.0085 11.0085 11.0103 11.0103 16.7102 16.7102 16.7517 16.7517 16.8875 16.8875 21.1303 21.1303 k = 0.4485-0.3172 0.6124 ( 1448 PWs) bands (ev): -43.3058 -43.3058 -20.2638 -20.2638 -19.6232 -19.6232 -19.6135 -19.6135 11.0205 11.0205 11.0227 11.0227 16.6554 16.6554 16.7060 16.7060 16.8892 16.8892 21.1061 21.1061 k = 0.4412-0.3120 0.6124 ( 1444 PWs) bands (ev): -43.3064 -43.3064 -20.2627 -20.2627 -19.6234 -19.6234 -19.6108 -19.6108 11.0344 11.0344 11.0370 11.0370 16.5937 16.5937 16.6544 16.6544 16.8915 16.8915 21.0749 21.0749 k = 0.4338-0.3068 0.6124 ( 1444 PWs) bands (ev): -43.3072 -43.3072 -20.2615 -20.2615 -19.6237 -19.6237 -19.6078 -19.6078 11.0501 11.0501 11.0529 11.0529 16.5261 16.5261 16.5973 16.5973 16.8942 16.8942 21.0374 21.0374 k = 0.4265-0.3016 0.6124 ( 1444 PWs) bands (ev): -43.3081 -43.3081 -20.2602 -20.2602 -19.6239 -19.6239 -19.6044 -19.6044 11.0676 11.0676 11.0705 11.0705 16.4531 16.4531 16.5350 16.5350 16.8973 16.8973 20.9945 20.9945 k = 0.4191-0.2964 0.6124 ( 1440 PWs) bands (ev): -43.3090 -43.3090 -20.2587 -20.2587 -19.6242 -19.6242 -19.6007 -19.6007 11.0870 11.0870 11.0896 11.0896 16.3754 16.3754 16.4682 16.4682 16.9007 16.9007 20.9465 20.9465 k = 0.4118-0.2912 0.6124 ( 1440 PWs) bands (ev): -43.3100 -43.3100 -20.2571 -20.2571 -19.6245 -19.6245 -19.5967 -19.5967 11.1081 11.1081 11.1102 11.1102 16.2936 16.2936 16.3972 16.3972 16.9045 16.9045 20.8940 20.8940 k = 0.4044-0.2860 0.6124 ( 1432 PWs) bands (ev): -43.3111 -43.3111 -20.2555 -20.2555 -19.6247 -19.6247 -19.5923 -19.5923 11.1309 11.1309 11.1323 11.1323 16.2084 16.2084 16.3226 16.3226 16.9087 16.9087 20.8372 20.8372 k = 0.3971-0.2808 0.6124 ( 1432 PWs) bands (ev): -43.3123 -43.3123 -20.2538 -20.2538 -19.6249 -19.6249 -19.5876 -19.5876 11.1545 11.1545 11.1564 11.1564 16.1202 16.1202 16.2448 16.2448 16.9131 16.9131 20.7765 20.7765 k = 0.3897-0.2756 0.6124 ( 1432 PWs) bands (ev): -43.3135 -43.3135 -20.2520 -20.2520 -19.6252 -19.6252 -19.5827 -19.5827 11.1788 11.1788 11.1828 11.1828 16.0295 16.0295 16.1645 16.1645 16.9179 16.9179 20.7120 20.7120 k = 0.3824-0.2704 0.6124 ( 1432 PWs) bands (ev): -43.3149 -43.3149 -20.2501 -20.2501 -19.6253 -19.6253 -19.5774 -19.5774 11.2038 11.2038 11.2112 11.2112 15.9367 15.9367 16.0821 16.0821 16.9230 16.9230 20.6441 20.6441 k = 0.3750-0.2652 0.6124 ( 1428 PWs) bands (ev): -43.3163 -43.3163 -20.2483 -20.2483 -19.6255 -19.6255 -19.5718 -19.5718 11.2294 11.2294 11.2413 11.2413 15.8423 15.8423 15.9982 15.9982 16.9283 16.9283 20.5729 20.5729 k = 0.3676-0.2600 0.6124 ( 1434 PWs) bands (ev): -43.3177 -43.3177 -20.2463 -20.2463 -19.6256 -19.6256 -19.5660 -19.5660 11.2556 11.2556 11.2732 11.2732 15.7465 15.7465 15.9134 15.9134 16.9339 16.9339 20.4987 20.4987 k = 0.3603-0.2548 0.6124 ( 1434 PWs) bands (ev): -43.3192 -43.3192 -20.2444 -20.2444 -19.6256 -19.6256 -19.5599 -19.5599 11.2821 11.2821 11.3068 11.3068 15.6498 15.6498 15.8281 15.8281 16.9397 16.9397 20.4215 20.4215 k = 0.3529-0.2496 0.6124 ( 1436 PWs) bands (ev): -43.3208 -43.3208 -20.2424 -20.2424 -19.6256 -19.6256 -19.5535 -19.5535 11.3086 11.3086 11.3422 11.3422 15.5524 15.5524 15.7430 15.7430 16.9458 16.9458 20.3416 20.3416 k = 0.3456-0.2444 0.6124 ( 1436 PWs) bands (ev): -43.3224 -43.3224 -20.2405 -20.2405 -19.6256 -19.6256 -19.5469 -19.5469 11.3349 11.3349 11.3793 11.3793 15.4546 15.4546 15.6585 15.6585 16.9521 16.9521 20.2592 20.2592 k = 0.3382-0.2392 0.6124 ( 1436 PWs) bands (ev): -43.3241 -43.3241 -20.2386 -20.2386 -19.6254 -19.6254 -19.5400 -19.5400 11.3608 11.3608 11.4181 11.4181 15.3566 15.3566 15.5753 15.5753 16.9586 16.9586 20.1743 20.1743 k = 0.3309-0.2340 0.6124 ( 1436 PWs) bands (ev): -43.3258 -43.3258 -20.2367 -20.2367 -19.6252 -19.6252 -19.5329 -19.5329 11.3859 11.3859 11.4587 11.4587 15.2586 15.2586 15.4940 15.4940 16.9653 16.9653 20.0872 20.0872 k = 0.3235-0.2288 0.6124 ( 1446 PWs) bands (ev): -43.3276 -43.3276 -20.2348 -20.2348 -19.6248 -19.6248 -19.5256 -19.5256 11.4099 11.4099 11.5008 11.5008 15.1609 15.1609 15.4150 15.4150 16.9722 16.9722 19.9980 19.9980 k = 0.3162-0.2236 0.6124 ( 1442 PWs) bands (ev): -43.3294 -43.3294 -20.2330 -20.2330 -19.6244 -19.6244 -19.5182 -19.5182 11.4325 11.4325 11.5447 11.5447 15.0637 15.0637 15.3389 15.3389 16.9792 16.9792 19.9068 19.9068 k = 0.3088-0.2184 0.6124 ( 1442 PWs) bands (ev): -43.3313 -43.3313 -20.2312 -20.2312 -19.6239 -19.6239 -19.5105 -19.5105 11.4534 11.4534 11.5902 11.5902 14.9670 14.9670 15.2663 15.2663 16.9865 16.9865 19.8138 19.8138 k = 0.3015-0.2132 0.6124 ( 1444 PWs) bands (ev): -43.3332 -43.3332 -20.2295 -20.2295 -19.6233 -19.6233 -19.5027 -19.5027 11.4722 11.4722 11.6373 11.6373 14.8711 14.8711 15.1977 15.1977 16.9938 16.9938 19.7191 19.7191 k = 0.2941-0.2080 0.6124 ( 1442 PWs) bands (ev): -43.3351 -43.3351 -20.2279 -20.2279 -19.6225 -19.6225 -19.4947 -19.4947 11.4885 11.4885 11.6860 11.6860 14.7761 14.7761 15.1337 15.1337 17.0013 17.0013 19.6228 19.6228 k = 0.2868-0.2028 0.6124 ( 1442 PWs) bands (ev): -43.3370 -43.3370 -20.2264 -20.2264 -19.6217 -19.6217 -19.4866 -19.4866 11.5020 11.5020 11.7363 11.7363 14.6822 14.6822 15.0746 15.0746 17.0089 17.0089 19.5250 19.5250 k = 0.2794-0.1976 0.6124 ( 1440 PWs) bands (ev): -43.3390 -43.3390 -20.2250 -20.2250 -19.6207 -19.6207 -19.4783 -19.4783 11.5123 11.5123 11.7882 11.7882 14.5894 14.5894 15.0211 15.0211 17.0166 17.0166 19.4258 19.4258 k = 0.2721-0.1924 0.6124 ( 1444 PWs) bands (ev): -43.3410 -43.3410 -20.2237 -20.2237 -19.6197 -19.6197 -19.4700 -19.4700 11.5193 11.5193 11.8416 11.8416 14.4979 14.4979 14.9734 14.9734 17.0244 17.0244 19.3255 19.3255 k = 0.2647-0.1872 0.6124 ( 1444 PWs) bands (ev): -43.3429 -43.3429 -20.2224 -20.2224 -19.6185 -19.6185 -19.4616 -19.4616 11.5225 11.5225 11.8965 11.8965 14.4078 14.4078 14.9320 14.9320 17.0322 17.0322 19.2240 19.2240 k = 0.2574-0.1820 0.6124 ( 1436 PWs) bands (ev): -43.3449 -43.3449 -20.2213 -20.2213 -19.6172 -19.6172 -19.4531 -19.4531 11.5218 11.5218 11.9529 11.9529 14.3192 14.3192 14.8971 14.8971 17.0401 17.0401 19.1214 19.1214 k = 0.2500-0.1768 0.6124 ( 1436 PWs) bands (ev): -43.3469 -43.3469 -20.2203 -20.2203 -19.6158 -19.6158 -19.4445 -19.4445 11.5171 11.5171 12.0107 12.0107 14.2321 14.2321 14.8689 14.8689 17.0480 17.0480 19.0180 19.0180 k = 0.2426-0.1716 0.6124 ( 1436 PWs) bands (ev): -43.3489 -43.3489 -20.2194 -20.2194 -19.6143 -19.6143 -19.4359 -19.4359 11.5083 11.5083 12.0700 12.0700 14.1468 14.1468 14.8475 14.8475 17.0559 17.0559 18.9138 18.9138 k = 0.2353-0.1664 0.6124 ( 1444 PWs) bands (ev): -43.3509 -43.3509 -20.2187 -20.2187 -19.6127 -19.6127 -19.4273 -19.4273 11.4954 11.4954 12.1306 12.1306 14.0632 14.0632 14.8330 14.8330 17.0638 17.0638 18.8088 18.8088 k = 0.2279-0.1612 0.6124 ( 1444 PWs) bands (ev): -43.3529 -43.3529 -20.2180 -20.2180 -19.6109 -19.6109 -19.4188 -19.4188 11.4784 11.4784 12.1926 12.1926 13.9814 13.9814 14.8252 14.8252 17.0716 17.0716 18.7032 18.7032 k = 0.2206-0.1560 0.6124 ( 1446 PWs) bands (ev): -43.3549 -43.3549 -20.2175 -20.2175 -19.6091 -19.6091 -19.4102 -19.4102 11.4576 11.4576 12.2559 12.2559 13.9016 13.9016 14.8240 14.8240 17.0795 17.0795 18.5972 18.5972 k = 0.2132-0.1508 0.6124 ( 1446 PWs) bands (ev): -43.3568 -43.3568 -20.2170 -20.2170 -19.6073 -19.6073 -19.4017 -19.4017 11.4332 11.4332 12.3205 12.3205 13.8237 13.8237 14.8291 14.8291 17.0873 17.0873 18.4907 18.4907 k = 0.2059-0.1456 0.6124 ( 1446 PWs) bands (ev): -43.3588 -43.3588 -20.2167 -20.2167 -19.6053 -19.6053 -19.3932 -19.3932 11.4055 11.4055 12.3863 12.3863 13.7479 13.7479 14.8402 14.8402 17.0950 17.0950 18.3840 18.3840 k = 0.1985-0.1404 0.6124 ( 1442 PWs) bands (ev): -43.3607 -43.3607 -20.2165 -20.2165 -19.6033 -19.6033 -19.3848 -19.3848 11.3748 11.3748 12.4533 12.4533 13.6743 13.6743 14.8569 14.8569 17.1026 17.1026 18.2770 18.2770 k = 0.1912-0.1352 0.6124 ( 1442 PWs) bands (ev): -43.3626 -43.3626 -20.2164 -20.2164 -19.6012 -19.6012 -19.3766 -19.3766 11.3415 11.3415 12.5214 12.5214 13.6028 13.6028 14.8788 14.8788 17.1101 17.1101 18.1700 18.1700 k = 0.1838-0.1300 0.6124 ( 1442 PWs) bands (ev): -43.3644 -43.3644 -20.2163 -20.2163 -19.5991 -19.5991 -19.3684 -19.3684 11.3060 11.3060 12.5905 12.5905 13.5336 13.5336 14.9053 14.9053 17.1175 17.1175 18.0629 18.0629 k = 0.1765-0.1248 0.6124 ( 1442 PWs) bands (ev): -43.3662 -43.3662 -20.2164 -20.2164 -19.5969 -19.5969 -19.3604 -19.3604 11.2687 11.2687 12.6607 12.6607 13.4666 13.4666 14.9359 14.9359 17.1247 17.1247 17.9561 17.9561 k = 0.1691-0.1196 0.6124 ( 1456 PWs) bands (ev): -43.3680 -43.3680 -20.2165 -20.2165 -19.5947 -19.5947 -19.3525 -19.3525 11.2300 11.2300 12.7317 12.7317 13.4020 13.4020 14.9703 14.9703 17.1318 17.1318 17.8495 17.8495 k = 0.1618-0.1144 0.6124 ( 1452 PWs) bands (ev): -43.3697 -43.3697 -20.2167 -20.2167 -19.5925 -19.5925 -19.3449 -19.3449 11.1903 11.1903 12.8037 12.8037 13.3399 13.3399 15.0077 15.0077 17.1387 17.1387 17.7432 17.7432 k = 0.1544-0.1092 0.6124 ( 1448 PWs) bands (ev): -43.3714 -43.3714 -20.2170 -20.2170 -19.5902 -19.5902 -19.3374 -19.3374 11.1499 11.1499 12.8763 12.8763 13.2801 13.2801 15.0478 15.0478 17.1454 17.1454 17.6375 17.6375 k = 0.1471-0.1040 0.6124 ( 1436 PWs) bands (ev): -43.3730 -43.3730 -20.2174 -20.2174 -19.5880 -19.5880 -19.3301 -19.3301 11.1094 11.1094 12.9496 12.9496 13.2229 13.2229 15.0899 15.0899 17.1518 17.1518 17.5325 17.5325 k = 0.1397-0.0988 0.6124 ( 1436 PWs) bands (ev): -43.3745 -43.3745 -20.2177 -20.2177 -19.5858 -19.5858 -19.3230 -19.3230 11.0689 11.0689 13.0234 13.0234 13.1682 13.1682 15.1336 15.1336 17.1580 17.1580 17.4283 17.4283 k = 0.1324-0.0936 0.6124 ( 1436 PWs) bands (ev): -43.3760 -43.3760 -20.2182 -20.2182 -19.5837 -19.5837 -19.3162 -19.3162 11.0289 11.0289 13.0976 13.0976 13.1161 13.1161 15.1785 15.1785 17.1638 17.1638 17.3253 17.3253 k = 0.1250-0.0884 0.6124 ( 1436 PWs) bands (ev): -43.3775 -43.3775 -20.2186 -20.2186 -19.5816 -19.5816 -19.3097 -19.3097 10.9895 10.9895 13.0665 13.0665 13.1720 13.1720 15.2239 15.2239 17.1684 17.1684 17.2244 17.2244 k = 0.1176-0.0832 0.6124 ( 1436 PWs) bands (ev): -43.3789 -43.3789 -20.2191 -20.2191 -19.5795 -19.5795 -19.3034 -19.3034 10.9512 10.9512 13.0196 13.0196 13.2465 13.2465 15.2695 15.2695 17.1199 17.1199 17.1778 17.1778 k = 0.1103-0.0780 0.6124 ( 1436 PWs) bands (ev): -43.3802 -43.3802 -20.2196 -20.2196 -19.5775 -19.5775 -19.2975 -19.2975 10.9141 10.9141 12.9754 12.9754 13.3208 13.3208 15.3148 15.3148 17.0220 17.0220 17.1819 17.1819 k = 0.1029-0.0728 0.6124 ( 1432 PWs) bands (ev): -43.3814 -43.3814 -20.2201 -20.2201 -19.5756 -19.5756 -19.2918 -19.2918 10.8784 10.8784 12.9339 12.9339 13.3947 13.3947 15.3594 15.3594 16.9250 16.9250 17.1866 17.1866 k = 0.0956-0.0676 0.6124 ( 1432 PWs) bands (ev): -43.3826 -43.3826 -20.2206 -20.2206 -19.5737 -19.5737 -19.2865 -19.2865 10.8444 10.8444 12.8952 12.8952 13.4678 13.4678 15.4029 15.4029 16.8301 16.8301 17.1913 17.1913 k = 0.0882-0.0624 0.6124 ( 1436 PWs) bands (ev): -43.3836 -43.3836 -20.2211 -20.2211 -19.5720 -19.5720 -19.2815 -19.2815 10.8123 10.8123 12.8592 12.8592 13.5400 13.5400 15.4449 15.4449 16.7376 16.7376 17.1956 17.1956 k = 0.0809-0.0572 0.6124 ( 1436 PWs) bands (ev): -43.3847 -43.3847 -20.2216 -20.2216 -19.5703 -19.5703 -19.2769 -19.2769 10.7822 10.7822 12.8260 12.8260 13.6107 13.6107 15.4850 15.4850 16.6482 16.6482 17.1997 17.1997 k = 0.0735-0.0520 0.6124 ( 1436 PWs) bands (ev): -43.3856 -43.3856 -20.2220 -20.2220 -19.5688 -19.5688 -19.2726 -19.2726 10.7542 10.7542 12.7956 12.7956 13.6795 13.6795 15.5229 15.5229 16.5622 16.5622 17.2035 17.2035 k = 0.0662-0.0468 0.6124 ( 1436 PWs) bands (ev): -43.3864 -43.3864 -20.2225 -20.2225 -19.5674 -19.5674 -19.2687 -19.2687 10.7286 10.7286 12.7680 12.7680 13.7459 13.7459 15.5582 15.5582 16.4803 16.4803 17.2069 17.2069 k = 0.0588-0.0416 0.6124 ( 1442 PWs) bands (ev): -43.3872 -43.3872 -20.2229 -20.2229 -19.5661 -19.5661 -19.2652 -19.2652 10.7053 10.7053 12.7433 12.7433 13.8091 13.8091 15.5906 15.5906 16.4031 16.4031 17.2100 17.2100 k = 0.0515-0.0364 0.6124 ( 1442 PWs) bands (ev): -43.3879 -43.3879 -20.2233 -20.2233 -19.5650 -19.5650 -19.2620 -19.2620 10.6846 10.6846 12.7215 12.7215 13.8684 13.8684 15.6200 15.6200 16.3315 16.3315 17.2127 17.2127 k = 0.0441-0.0312 0.6124 ( 1436 PWs) bands (ev): -43.3884 -43.3884 -20.2236 -20.2236 -19.5640 -19.5640 -19.2593 -19.2593 10.6664 10.6664 12.7025 12.7025 13.9229 13.9229 15.6459 15.6459 16.2662 16.2662 17.2151 17.2151 k = 0.0368-0.0260 0.6124 ( 1436 PWs) bands (ev): -43.3889 -43.3889 -20.2239 -20.2239 -19.5631 -19.5631 -19.2570 -19.2570 10.6510 10.6510 12.6865 12.6865 13.9717 13.9717 15.6682 15.6682 16.2084 16.2084 17.2172 17.2172 k = 0.0294-0.0208 0.6124 ( 1436 PWs) bands (ev): -43.3894 -43.3894 -20.2241 -20.2241 -19.5624 -19.5624 -19.2551 -19.2551 10.6382 10.6382 12.6733 12.6733 14.0136 14.0136 15.6867 15.6867 16.1590 16.1590 17.2189 17.2189 k = 0.0221-0.0156 0.6124 ( 1428 PWs) bands (ev): -43.3897 -43.3897 -20.2243 -20.2243 -19.5618 -19.5618 -19.2536 -19.2536 10.6283 10.6283 12.6631 12.6631 14.0477 14.0477 15.7013 15.7013 16.1191 16.1191 17.2202 17.2202 k = 0.0147-0.0104 0.6124 ( 1432 PWs) bands (ev): -43.3899 -43.3899 -20.2245 -20.2245 -19.5614 -19.5614 -19.2525 -19.2525 10.6211 10.6211 12.6558 12.6558 14.0729 14.0729 15.7118 15.7118 16.0897 16.0897 17.2211 17.2211 k = 0.0074-0.0052 0.6124 ( 1432 PWs) bands (ev): -43.3900 -43.3900 -20.2245 -20.2245 -19.5612 -19.5612 -19.2519 -19.2519 10.6168 10.6168 12.6514 12.6514 14.0885 14.0885 15.7181 15.7181 16.0718 16.0718 17.2217 17.2217 k = 0.0000 0.0000 0.6124 ( 1432 PWs) bands (ev): -43.3901 -43.3901 -20.2246 -20.2246 -19.5611 -19.5611 -19.2517 -19.2517 10.6154 10.6154 12.6499 12.6499 14.0937 14.0937 15.7202 15.7202 16.0657 16.0657 17.2219 17.2219 k = 0.0000 0.0000 0.6124 ( 1432 PWs) bands (ev): -43.3901 -43.3901 -20.2246 -20.2246 -19.5611 -19.5611 -19.2517 -19.2517 10.6154 10.6154 12.6499 12.6499 14.0937 14.0937 15.7202 15.7202 16.0657 16.0657 17.2219 17.2219 k = 0.0000 0.0000 0.6034 ( 1432 PWs) bands (ev): -43.3902 -43.3902 -20.2243 -20.2243 -19.5610 -19.5610 -19.2517 -19.2517 10.6146 10.6146 12.6505 12.6505 14.0899 14.0899 15.7203 15.7203 16.0654 16.0654 17.2195 17.2195 k = 0.0000 0.0000 0.5944 ( 1432 PWs) bands (ev): -43.3904 -43.3904 -20.2236 -20.2236 -19.5605 -19.5605 -19.2516 -19.2516 10.6123 10.6123 12.6524 12.6524 14.0788 14.0788 15.7205 15.7205 16.0644 16.0644 17.2124 17.2124 k = 0.0000 0.0000 0.5854 ( 1428 PWs) bands (ev): -43.3907 -43.3907 -20.2223 -20.2223 -19.5597 -19.5597 -19.2514 -19.2514 10.6084 10.6084 12.6556 12.6556 14.0606 14.0606 15.7207 15.7207 16.0628 16.0628 17.2005 17.2005 k = 0.0000 0.0000 0.5764 ( 1434 PWs) bands (ev): -43.3912 -43.3912 -20.2206 -20.2206 -19.5586 -19.5586 -19.2512 -19.2512 10.6028 10.6028 12.6599 12.6599 14.0357 14.0357 15.7209 15.7209 16.0605 16.0605 17.1840 17.1840 k = 0.0000 0.0000 0.5673 ( 1438 PWs) bands (ev): -43.3917 -43.3917 -20.2184 -20.2184 -19.5573 -19.5573 -19.2509 -19.2509 10.5953 10.5953 12.6656 12.6656 14.0047 14.0047 15.7208 15.7208 16.0576 16.0576 17.1630 17.1630 k = 0.0000 0.0000 0.5583 ( 1446 PWs) bands (ev): -43.3925 -43.3925 -20.2157 -20.2157 -19.5556 -19.5556 -19.2506 -19.2506 10.5859 10.5859 12.6724 12.6724 13.9685 13.9685 15.7204 15.7204 16.0541 16.0541 17.1375 17.1375 k = 0.0000 0.0000 0.5493 ( 1446 PWs) bands (ev): -43.3933 -43.3933 -20.2125 -20.2125 -19.5536 -19.5536 -19.2502 -19.2502 10.5744 10.5744 12.6805 12.6805 13.9277 13.9277 15.7195 15.7195 16.0500 16.0500 17.1077 17.1077 k = 0.0000 0.0000 0.5403 ( 1450 PWs) bands (ev): -43.3943 -43.3943 -20.2089 -20.2089 -19.5512 -19.5512 -19.2497 -19.2497 10.5605 10.5605 12.6898 12.6898 13.8834 13.8834 15.7179 15.7179 16.0453 16.0453 17.0737 17.0737 k = 0.0000 0.0000 0.5313 ( 1448 PWs) bands (ev): -43.3954 -43.3954 -20.2048 -20.2048 -19.5486 -19.5486 -19.2492 -19.2492 10.5440 10.5440 12.7004 12.7004 13.8364 13.8364 15.7155 15.7155 16.0401 16.0401 17.0357 17.0357 k = 0.0000 0.0000 0.5223 ( 1448 PWs) bands (ev): -43.3966 -43.3966 -20.2003 -20.2003 -19.5457 -19.5457 -19.2486 -19.2486 10.5246 10.5246 12.7121 12.7121 13.7876 13.7876 15.7123 15.7123 16.0344 16.0344 16.9939 16.9939 k = 0.0000 0.0000 0.5133 ( 1446 PWs) bands (ev): -43.3980 -43.3980 -20.1954 -20.1954 -19.5425 -19.5425 -19.2479 -19.2479 10.5021 10.5021 12.7249 12.7249 13.7380 13.7380 15.7081 15.7081 16.0282 16.0282 16.9485 16.9485 k = 0.0000 0.0000 0.5043 ( 1446 PWs) bands (ev): -43.3994 -43.3994 -20.1900 -20.1900 -19.5390 -19.5390 -19.2472 -19.2472 10.4763 10.4763 12.7390 12.7390 13.6884 13.6884 15.7030 15.7030 16.0216 16.0216 16.8996 16.8996 k = 0.0000 0.0000 0.4953 ( 1446 PWs) bands (ev): -43.4010 -43.4010 -20.1843 -20.1843 -19.5352 -19.5352 -19.2464 -19.2464 10.4468 10.4468 12.7541 12.7541 13.6398 13.6398 15.6968 15.6968 16.0145 16.0145 16.8475 16.8475 k = 0.0000 0.0000 0.4863 ( 1446 PWs) bands (ev): -43.4027 -43.4027 -20.1781 -20.1781 -19.5311 -19.5311 -19.2456 -19.2456 10.4134 10.4134 12.7704 12.7704 13.5929 13.5929 15.6897 15.6897 16.0070 16.0070 16.7925 16.7925 k = 0.0000 0.0000 0.4773 ( 1446 PWs) bands (ev): -43.4044 -43.4044 -20.1717 -20.1717 -19.5267 -19.5267 -19.2447 -19.2447 10.3759 10.3759 12.7877 12.7877 13.5484 13.5484 15.6816 15.6816 15.9993 15.9993 16.7346 16.7346 k = 0.0000 0.0000 0.4683 ( 1446 PWs) bands (ev): -43.4063 -43.4063 -20.1648 -20.1648 -19.5220 -19.5220 -19.2438 -19.2438 10.3341 10.3341 12.8062 12.8062 13.5070 13.5070 15.6726 15.6726 15.9912 15.9912 16.6742 16.6742 k = 0.0000 0.0000 0.4593 ( 1438 PWs) bands (ev): -43.4083 -43.4083 -20.1577 -20.1577 -19.5170 -19.5170 -19.2428 -19.2428 10.2879 10.2879 12.8256 12.8256 13.4693 13.4693 15.6627 15.6627 15.9828 15.9828 16.6115 16.6115 k = 0.0000 0.0000 0.4503 ( 1446 PWs) bands (ev): -43.4104 -43.4104 -20.1502 -20.1502 -19.5118 -19.5118 -19.2417 -19.2417 10.2372 10.2372 12.8461 12.8461 13.4356 13.4356 15.6520 15.6520 15.9742 15.9742 16.5467 16.5467 k = 0.0000 0.0000 0.4413 ( 1446 PWs) bands (ev): -43.4126 -43.4126 -20.1425 -20.1425 -19.5063 -19.5063 -19.2406 -19.2406 10.1821 10.1821 12.8675 12.8675 13.4064 13.4064 15.6406 15.6406 15.9655 15.9655 16.4800 16.4800 k = 0.0000 0.0000 0.4323 ( 1444 PWs) bands (ev): -43.4148 -43.4148 -20.1346 -20.1346 -19.5005 -19.5005 -19.2394 -19.2394 10.1225 10.1225 12.8899 12.8899 13.3818 13.3818 15.6286 15.6286 15.9565 15.9565 16.4117 16.4117 k = 0.0000 0.0000 0.4233 ( 1448 PWs) bands (ev): -43.4171 -43.4171 -20.1264 -20.1264 -19.4944 -19.4944 -19.2382 -19.2382 10.0587 10.0587 12.9131 12.9131 13.3621 13.3621 15.6160 15.6160 15.9475 15.9475 16.3419 16.3419 k = 0.0000 0.0000 0.4143 ( 1448 PWs) bands (ev): -43.4195 -43.4195 -20.1180 -20.1180 -19.4881 -19.4881 -19.2369 -19.2369 9.9908 9.9908 12.9373 12.9373 13.3472 13.3472 15.6030 15.6030 15.9384 15.9384 16.2709 16.2709 k = 0.0000 0.0000 0.4052 ( 1448 PWs) bands (ev): -43.4220 -43.4220 -20.1094 -20.1094 -19.4815 -19.4815 -19.2356 -19.2356 9.9191 9.9191 12.9623 12.9623 13.3371 13.3371 15.5897 15.5897 15.9292 15.9292 16.1989 16.1989 k = 0.0000 0.0000 0.3962 ( 1448 PWs) bands (ev): -43.4245 -43.4245 -20.1006 -20.1006 -19.4747 -19.4747 -19.2342 -19.2342 9.8438 9.8438 12.9880 12.9880 13.3318 13.3318 15.5761 15.5761 15.9199 15.9199 16.1261 16.1261 k = 0.0000 0.0000 0.3872 ( 1444 PWs) bands (ev): -43.4271 -43.4271 -20.0918 -20.0918 -19.4676 -19.4676 -19.2328 -19.2328 9.7653 9.7653 13.0145 13.0145 13.3310 13.3310 15.5623 15.5623 15.9106 15.9106 16.0527 16.0527 k = 0.0000 0.0000 0.3782 ( 1440 PWs) bands (ev): -43.4298 -43.4298 -20.0828 -20.0828 -19.4603 -19.4603 -19.2313 -19.2313 9.6839 9.6839 13.0417 13.0417 13.3345 13.3345 15.5486 15.5486 15.9008 15.9008 15.9795 15.9795 k = 0.0000 0.0000 0.3692 ( 1440 PWs) bands (ev): -43.4325 -43.4325 -20.0737 -20.0737 -19.4528 -19.4528 -19.2298 -19.2298 9.6000 9.6000 13.0696 13.0696 13.3420 13.3420 15.5349 15.5349 15.8861 15.8861 15.9110 15.9110 k = 0.0000 0.0000 0.3602 ( 1440 PWs) bands (ev): -43.4352 -43.4352 -20.0646 -20.0646 -19.4450 -19.4450 -19.2283 -19.2283 9.5140 9.5140 13.0981 13.0981 13.3533 13.3533 15.5214 15.5214 15.8267 15.8267 15.8871 15.8871 k = 0.0000 0.0000 0.3512 ( 1444 PWs) bands (ev): -43.4379 -43.4379 -20.0555 -20.0555 -19.4371 -19.4371 -19.2267 -19.2267 9.4263 9.4263 13.1271 13.1271 13.3680 13.3680 15.5082 15.5082 15.7535 15.7535 15.8773 15.8773 k = 0.0000 0.0000 0.3422 ( 1444 PWs) bands (ev): -43.4407 -43.4407 -20.0463 -20.0463 -19.4289 -19.4289 -19.2250 -19.2250 9.3372 9.3372 13.1566 13.1566 13.3857 13.3857 15.4955 15.4955 15.6798 15.6798 15.8685 15.8685 k = 0.0000 0.0000 0.3332 ( 1438 PWs) bands (ev): -43.4436 -43.4436 -20.0372 -20.0372 -19.4206 -19.4206 -19.2234 -19.2234 9.2470 9.2470 13.1866 13.1866 13.4062 13.4062 15.4832 15.4832 15.6063 15.6063 15.8601 15.8601 k = 0.0000 0.0000 0.3242 ( 1450 PWs) bands (ev): -43.4464 -43.4464 -20.0281 -20.0281 -19.4122 -19.4122 -19.2217 -19.2217 9.1562 9.1562 13.2169 13.2169 13.4291 13.4291 15.4711 15.4711 15.5337 15.5337 15.8520 15.8520 k = 0.0000 0.0000 0.3152 ( 1444 PWs) bands (ev): -43.4492 -43.4492 -20.0190 -20.0190 -19.4035 -19.4035 -19.2200 -19.2200 9.0650 9.0650 13.2476 13.2476 13.4540 13.4540 15.4515 15.4515 15.4700 15.4700 15.8442 15.8442 k = 0.0000 0.0000 0.3062 ( 1444 PWs) bands (ev): -43.4521 -43.4521 -20.0101 -20.0101 -19.3948 -19.3948 -19.2182 -19.2182 8.9738 8.9738 13.2786 13.2786 13.4807 13.4807 15.3864 15.3864 15.4535 15.4535 15.8366 15.8366 k = 0.0000 0.0000 0.2972 ( 1445 PWs) bands (ev): -43.4549 -43.4549 -20.0013 -20.0013 -19.3859 -19.3859 -19.2165 -19.2165 8.8828 8.8828 13.3098 13.3098 13.5086 13.5086 15.3160 15.3160 15.4444 15.4444 15.8294 15.8294 k = 0.0000 0.0000 0.2882 ( 1445 PWs) bands (ev): -43.4578 -43.4578 -19.9926 -19.9926 -19.3769 -19.3769 -19.2147 -19.2147 8.7923 8.7923 13.3411 13.3411 13.5376 13.5376 15.2461 15.2461 15.4368 15.4368 15.8224 15.8224 k = 0.0000 0.0000 0.2792 ( 1445 PWs) bands (ev): -43.4606 -43.4606 -19.9840 -19.9840 -19.3678 -19.3678 -19.2129 -19.2129 8.7026 8.7026 13.3724 13.3724 13.5673 13.5673 15.1773 15.1773 15.4306 15.4306 15.8157 15.8157 k = 0.0000 0.0000 0.2702 ( 1445 PWs) bands (ev): -43.4634 -43.4634 -19.9756 -19.9756 -19.3587 -19.3587 -19.2111 -19.2111 8.6139 8.6139 13.4038 13.4038 13.5974 13.5974 15.1096 15.1096 15.4260 15.4260 15.8093 15.8093 k = 0.0000 0.0000 0.2612 ( 1449 PWs) bands (ev): -43.4662 -43.4662 -19.9674 -19.9674 -19.3496 -19.3496 -19.2093 -19.2093 8.5265 8.5265 13.4352 13.4352 13.6275 13.6275 15.0433 15.0433 15.4229 15.4229 15.8033 15.8033 k = 0.0000 0.0000 0.2522 ( 1447 PWs) bands (ev): -43.4689 -43.4689 -19.9594 -19.9594 -19.3404 -19.3404 -19.2075 -19.2075 8.4404 8.4404 13.4664 13.4664 13.6574 13.6574 14.9783 14.9783 15.4214 15.4214 15.7975 15.7975 k = 0.0000 0.0000 0.2431 ( 1447 PWs) bands (ev): -43.4716 -43.4716 -19.9515 -19.9515 -19.3312 -19.3312 -19.2057 -19.2057 8.3560 8.3560 13.4974 13.4974 13.6869 13.6869 14.9149 14.9149 15.4216 15.4216 15.7921 15.7921 k = 0.0000 0.0000 0.2341 ( 1451 PWs) bands (ev): -43.4743 -43.4743 -19.9439 -19.9439 -19.3221 -19.3221 -19.2039 -19.2039 8.2734 8.2734 13.5282 13.5282 13.7156 13.7156 14.8531 14.8531 15.4236 15.4236 15.7869 15.7869 k = 0.0000 0.0000 0.2251 ( 1447 PWs) bands (ev): -43.4769 -43.4769 -19.9366 -19.9366 -19.3130 -19.3130 -19.2021 -19.2021 8.1928 8.1928 13.5586 13.5586 13.7433 13.7433 14.7930 14.7930 15.4275 15.4275 15.7821 15.7821 k = 0.0000 0.0000 0.2161 ( 1455 PWs) bands (ev): -43.4795 -43.4795 -19.9294 -19.9294 -19.3040 -19.3040 -19.2003 -19.2003 8.1142 8.1142 13.5886 13.5886 13.7699 13.7699 14.7347 14.7347 15.4331 15.4331 15.7776 15.7776 k = 0.0000 0.0000 0.2071 ( 1455 PWs) bands (ev): -43.4820 -43.4820 -19.9226 -19.9226 -19.2951 -19.2951 -19.1986 -19.1986 8.0380 8.0380 13.6181 13.6181 13.7952 13.7952 14.6782 14.6782 15.4406 15.4406 15.7733 15.7733 k = 0.0000 0.0000 0.1981 ( 1457 PWs) bands (ev): -43.4844 -43.4844 -19.9160 -19.9160 -19.2863 -19.2863 -19.1968 -19.1968 7.9641 7.9641 13.6470 13.6470 13.8190 13.8190 14.6236 14.6236 15.4498 15.4498 15.7694 15.7694 k = 0.0000 0.0000 0.1891 ( 1457 PWs) bands (ev): -43.4868 -43.4868 -19.9096 -19.9096 -19.2777 -19.2777 -19.1952 -19.1952 7.8928 7.8928 13.6753 13.6753 13.8412 13.8412 14.5710 14.5710 15.4607 15.4607 15.7657 15.7657 k = 0.0000 0.0000 0.1801 ( 1457 PWs) bands (ev): -43.4891 -43.4891 -19.9036 -19.9036 -19.2693 -19.2693 -19.1935 -19.1935 7.8240 7.8240 13.7029 13.7029 13.8619 13.8619 14.5205 14.5205 15.4732 15.4732 15.7624 15.7624 k = 0.0000 0.0000 0.1711 ( 1457 PWs) bands (ev): -43.4913 -43.4913 -19.8978 -19.8978 -19.2611 -19.2611 -19.1919 -19.1919 7.7581 7.7581 13.7297 13.7297 13.8808 13.8808 14.4720 14.4720 15.4871 15.4871 15.7593 15.7593 k = 0.0000 0.0000 0.1621 ( 1457 PWs) bands (ev): -43.4935 -43.4935 -19.8923 -19.8923 -19.2531 -19.2531 -19.1903 -19.1903 7.6949 7.6949 13.7556 13.7556 13.8981 13.8981 14.4258 14.4258 15.5023 15.5023 15.7564 15.7564 k = 0.0000 0.0000 0.1531 ( 1453 PWs) bands (ev): -43.4955 -43.4955 -19.8871 -19.8871 -19.2454 -19.2454 -19.1888 -19.1888 7.6347 7.6347 13.7806 13.7806 13.9137 13.9137 14.3817 14.3817 15.5185 15.5185 15.7538 15.7538 k = 0.0000 0.0000 0.1441 ( 1457 PWs) bands (ev): -43.4975 -43.4975 -19.8821 -19.8821 -19.2380 -19.2380 -19.1874 -19.1874 7.5775 7.5775 13.8046 13.8046 13.9278 13.9278 14.3400 14.3400 15.5356 15.5356 15.7514 15.7514 k = 0.0000 0.0000 0.1351 ( 1457 PWs) bands (ev): -43.4993 -43.4993 -19.8775 -19.8775 -19.2309 -19.2309 -19.1860 -19.1860 7.5234 7.5234 13.8275 13.8275 13.9403 13.9403 14.3005 14.3005 15.5533 15.5533 15.7493 15.7493 k = 0.0000 0.0000 0.1261 ( 1457 PWs) bands (ev): -43.5011 -43.5011 -19.8732 -19.8732 -19.2241 -19.2241 -19.1847 -19.1847 7.4725 7.4725 13.8492 13.8492 13.9513 13.9513 14.2635 14.2635 15.5714 15.5714 15.7474 15.7474 k = 0.0000 0.0000 0.1171 ( 1457 PWs) bands (ev): -43.5027 -43.5027 -19.8691 -19.8691 -19.2177 -19.2177 -19.1834 -19.1834 7.4248 7.4248 13.8697 13.8697 13.9610 13.9610 14.2288 14.2288 15.5896 15.5896 15.7456 15.7456 k = 0.0000 0.0000 0.1081 ( 1457 PWs) bands (ev): -43.5043 -43.5043 -19.8654 -19.8654 -19.2117 -19.2117 -19.1822 -19.1822 7.3804 7.3804 13.8890 13.8890 13.9695 13.9695 14.1966 14.1966 15.6077 15.6077 15.7441 15.7441 k = 0.0000 0.0000 0.0991 ( 1455 PWs) bands (ev): -43.5057 -43.5057 -19.8620 -19.8620 -19.2060 -19.2060 -19.1811 -19.1811 7.3393 7.3393 13.9069 13.9069 13.9769 13.9769 14.1668 14.1668 15.6254 15.6254 15.7427 15.7427 k = 0.0000 0.0000 0.0901 ( 1457 PWs) bands (ev): -43.5070 -43.5070 -19.8588 -19.8588 -19.2008 -19.2008 -19.1801 -19.1801 7.3017 7.3017 13.9233 13.9233 13.9832 13.9832 14.1397 14.1397 15.6425 15.6425 15.7415 15.7415 k = 0.0000 0.0000 0.0810 ( 1457 PWs) bands (ev): -43.5082 -43.5082 -19.8560 -19.8560 -19.1960 -19.1960 -19.1792 -19.1792 7.2674 7.2674 13.9383 13.9383 13.9885 13.9885 14.1151 14.1151 15.6587 15.6587 15.7404 15.7404 k = 0.0000 0.0000 0.0720 ( 1457 PWs) bands (ev): -43.5093 -43.5093 -19.8534 -19.8534 -19.1917 -19.1917 -19.1783 -19.1783 7.2367 7.2367 13.9517 13.9517 13.9931 13.9931 14.0931 14.0931 15.6738 15.6738 15.7395 15.7395 k = 0.0000 0.0000 0.0630 ( 1457 PWs) bands (ev): -43.5102 -43.5102 -19.8512 -19.8512 -19.1879 -19.1879 -19.1776 -19.1776 7.2095 7.2095 13.9634 13.9634 13.9968 13.9968 14.0739 14.0739 15.6877 15.6877 15.7387 15.7387 k = 0.0000 0.0000 0.0540 ( 1457 PWs) bands (ev): -43.5111 -43.5111 -19.8492 -19.8492 -19.1845 -19.1845 -19.1769 -19.1769 7.1859 7.1859 13.9734 13.9734 13.9998 13.9998 14.0576 14.0576 15.7001 15.7001 15.7380 15.7380 k = 0.0000 0.0000 0.0450 ( 1457 PWs) bands (ev): -43.5118 -43.5118 -19.8476 -19.8476 -19.1816 -19.1816 -19.1763 -19.1763 7.1659 7.1659 13.9816 13.9816 14.0019 14.0019 14.0444 14.0444 15.7108 15.7108 15.7375 15.7375 k = 0.0000 0.0000 0.0360 ( 1457 PWs) bands (ev): -43.5124 -43.5124 -19.8462 -19.8462 -19.1793 -19.1793 -19.1759 -19.1759 7.1495 7.1495 13.9879 13.9879 14.0028 14.0028 14.0347 14.0347 15.7198 15.7198 15.7370 15.7370 k = 0.0000 0.0000 0.0270 ( 1457 PWs) bands (ev): -43.5128 -43.5128 -19.8452 -19.8452 -19.1774 -19.1774 -19.1755 -19.1755 7.1367 7.1367 13.9925 13.9925 14.0021 14.0021 14.0288 14.0288 15.7269 15.7269 15.7367 15.7367 k = 0.0000 0.0000 0.0180 ( 1457 PWs) bands (ev): -43.5131 -43.5131 -19.8445 -19.8445 -19.1761 -19.1761 -19.1753 -19.1753 7.1275 7.1275 13.9956 13.9956 14.0003 14.0003 14.0262 14.0262 15.7321 15.7321 15.7364 15.7364 k = 0.0000 0.0000 0.0090 ( 1449 PWs) bands (ev): -43.5133 -43.5133 -19.8440 -19.8440 -19.1753 -19.1753 -19.1751 -19.1751 7.1220 7.1220 13.9973 13.9973 13.9985 13.9985 14.0254 14.0254 15.7352 15.7352 15.7363 15.7363 k = 0.0000 0.0000 0.0000 ( 1433 PWs) bands (ev): -43.5134 -43.5134 -19.8439 -19.8439 -19.1751 -19.1751 -19.1750 -19.1750 7.1202 7.1202 13.9978 13.9978 13.9978 13.9978 14.0253 14.0253 15.7363 15.7363 15.7363 15.7363 k = 0.0000 0.0000 0.0000 ( 1433 PWs) bands (ev): -43.5134 -43.5134 -19.8439 -19.8439 -19.1751 -19.1751 -19.1750 -19.1750 7.1202 7.1202 13.9978 13.9978 13.9978 13.9978 14.0253 14.0253 15.7363 15.7363 15.7363 15.7363 k = 0.0030 0.0043 0.0074 ( 1445 PWs) bands (ev): -43.5133 -43.5133 -19.8440 -19.8440 -19.1753 -19.1753 -19.1751 -19.1751 7.1220 7.1220 13.9972 13.9972 13.9986 13.9986 14.0254 14.0254 15.7357 15.7357 15.7358 15.7358 k = 0.0060 0.0085 0.0148 ( 1451 PWs) bands (ev): -43.5131 -43.5131 -19.8445 -19.8445 -19.1762 -19.1762 -19.1752 -19.1752 7.1276 7.1276 13.9953 13.9953 14.0004 14.0004 14.0264 14.0264 15.7342 15.7342 15.7343 15.7343 k = 0.0090 0.0128 0.0221 ( 1451 PWs) bands (ev): -43.5128 -43.5128 -19.8452 -19.8452 -19.1776 -19.1776 -19.1754 -19.1754 7.1368 7.1368 13.9922 13.9922 14.0015 14.0015 14.0297 14.0297 15.7316 15.7316 15.7319 15.7319 k = 0.0120 0.0170 0.0295 ( 1451 PWs) bands (ev): -43.5123 -43.5123 -19.8463 -19.8463 -19.1795 -19.1795 -19.1757 -19.1757 7.1497 7.1497 13.9878 13.9878 14.0003 14.0003 14.0373 14.0373 15.7281 15.7281 15.7287 15.7287 k = 0.0151 0.0213 0.0369 ( 1451 PWs) bands (ev): -43.5118 -43.5118 -19.8476 -19.8476 -19.1820 -19.1820 -19.1760 -19.1760 7.1662 7.1662 13.9822 13.9822 13.9963 13.9963 14.0493 14.0493 15.7238 15.7238 15.7246 15.7246 k = 0.0181 0.0256 0.0443 ( 1451 PWs) bands (ev): -43.5111 -43.5111 -19.8493 -19.8493 -19.1850 -19.1850 -19.1765 -19.1765 7.1864 7.1864 13.9752 13.9752 13.9901 13.9901 14.0653 14.0653 15.7186 15.7186 15.7197 15.7197 k = 0.0211 0.0298 0.0516 ( 1451 PWs) bands (ev): -43.5102 -43.5102 -19.8512 -19.8512 -19.1885 -19.1885 -19.1770 -19.1770 7.2101 7.2101 13.9669 13.9669 13.9821 13.9821 14.0847 14.0847 15.7126 15.7126 15.7142 15.7142 k = 0.0241 0.0341 0.0590 ( 1451 PWs) bands (ev): -43.5093 -43.5093 -19.8535 -19.8535 -19.1926 -19.1926 -19.1776 -19.1776 7.2375 7.2375 13.9572 13.9572 13.9724 13.9724 14.1075 14.1075 15.7061 15.7061 15.7081 15.7081 k = 0.0271 0.0383 0.0664 ( 1451 PWs) bands (ev): -43.5082 -43.5082 -19.8561 -19.8561 -19.1970 -19.1970 -19.1782 -19.1782 7.2684 7.2684 13.9461 13.9461 13.9611 13.9611 14.1335 14.1335 15.6990 15.6990 15.7016 15.7016 k = 0.0301 0.0426 0.0738 ( 1451 PWs) bands (ev): -43.5070 -43.5070 -19.8590 -19.8590 -19.2020 -19.2020 -19.1790 -19.1790 7.3029 7.3029 13.9335 13.9335 13.9483 13.9483 14.1625 14.1625 15.6916 15.6916 15.6948 15.6948 k = 0.0331 0.0469 0.0812 ( 1451 PWs) bands (ev): -43.5056 -43.5056 -19.8622 -19.8622 -19.2074 -19.2074 -19.1798 -19.1798 7.3408 7.3408 13.9195 13.9195 13.9338 13.9338 14.1947 14.1947 15.6839 15.6839 15.6877 15.6877 k = 0.0361 0.0511 0.0885 ( 1448 PWs) bands (ev): -43.5042 -43.5042 -19.8657 -19.8657 -19.2132 -19.2132 -19.1807 -19.1807 7.3821 7.3821 13.9039 13.9039 13.9178 13.9178 14.2298 14.2298 15.6762 15.6762 15.6806 15.6806 k = 0.0392 0.0554 0.0959 ( 1448 PWs) bands (ev): -43.5027 -43.5027 -19.8695 -19.8695 -19.2193 -19.2193 -19.1818 -19.1818 7.4268 7.4268 13.8869 13.8869 13.9002 13.9002 14.2680 14.2680 15.6684 15.6684 15.6736 15.6736 k = 0.0422 0.0596 0.1033 ( 1448 PWs) bands (ev): -43.5010 -43.5010 -19.8736 -19.8736 -19.2259 -19.2259 -19.1829 -19.1829 7.4749 7.4749 13.8682 13.8682 13.8809 13.8809 14.3091 14.3091 15.6608 15.6608 15.6667 15.6667 k = 0.0452 0.0639 0.1107 ( 1454 PWs) bands (ev): -43.4993 -43.4993 -19.8780 -19.8780 -19.2327 -19.2327 -19.1840 -19.1840 7.5262 7.5262 13.8480 13.8480 13.8601 13.8601 14.3532 14.3532 15.6534 15.6534 15.6601 15.6601 k = 0.0482 0.0682 0.1180 ( 1451 PWs) bands (ev): -43.4974 -43.4974 -19.8827 -19.8827 -19.2399 -19.2399 -19.1853 -19.1853 7.5807 7.5807 13.8262 13.8262 13.8376 13.8376 14.4001 14.4001 15.6465 15.6465 15.6540 15.6540 k = 0.0512 0.0724 0.1254 ( 1451 PWs) bands (ev): -43.4955 -43.4955 -19.8877 -19.8877 -19.2473 -19.2473 -19.1867 -19.1867 7.6384 7.6384 13.8028 13.8028 13.8135 13.8135 14.4499 14.4499 15.6401 15.6401 15.6484 15.6484 k = 0.0542 0.0767 0.1328 ( 1451 PWs) bands (ev): -43.4934 -43.4934 -19.8930 -19.8930 -19.2549 -19.2549 -19.1882 -19.1882 7.6992 7.6992 13.7778 13.7778 13.7879 13.7879 14.5025 14.5025 15.6343 15.6343 15.6435 15.6435 k = 0.0572 0.0809 0.1402 ( 1451 PWs) bands (ev): -43.4913 -43.4913 -19.8987 -19.8987 -19.2628 -19.2628 -19.1897 -19.1897 7.7630 7.7630 13.7514 13.7514 13.7607 13.7607 14.5580 14.5580 15.6292 15.6292 15.6392 15.6392 k = 0.0602 0.0852 0.1476 ( 1451 PWs) bands (ev): -43.4891 -43.4891 -19.9046 -19.9046 -19.2708 -19.2708 -19.1914 -19.1914 7.8297 7.8297 13.7234 13.7234 13.7320 13.7320 14.6161 14.6161 15.6249 15.6249 15.6358 15.6358 k = 0.0633 0.0895 0.1549 ( 1451 PWs) bands (ev): -43.4868 -43.4868 -19.9107 -19.9107 -19.2790 -19.2790 -19.1932 -19.1932 7.8994 7.8994 13.6940 13.6940 13.7019 13.7019 14.6770 14.6770 15.6215 15.6215 15.6332 15.6332 k = 0.0663 0.0937 0.1623 ( 1451 PWs) bands (ev): -43.4845 -43.4845 -19.9172 -19.9172 -19.2873 -19.2873 -19.1950 -19.1950 7.9718 7.9718 13.6632 13.6632 13.6704 13.6704 14.7405 14.7405 15.6190 15.6190 15.6315 15.6315 k = 0.0693 0.0980 0.1697 ( 1451 PWs) bands (ev): -43.4820 -43.4820 -19.9239 -19.9239 -19.2957 -19.2957 -19.1970 -19.1970 8.0469 8.0469 13.6312 13.6312 13.6376 13.6376 14.8067 14.8067 15.6175 15.6175 15.6308 15.6308 k = 0.0723 0.1022 0.1771 ( 1445 PWs) bands (ev): -43.4796 -43.4796 -19.9308 -19.9308 -19.3041 -19.3041 -19.1990 -19.1990 8.1247 8.1247 13.5979 13.5979 13.6036 13.6036 14.8754 14.8754 15.6169 15.6169 15.6310 15.6310 k = 0.0753 0.1065 0.1844 ( 1448 PWs) bands (ev): -43.4770 -43.4770 -19.9380 -19.9380 -19.3126 -19.3126 -19.2012 -19.2012 8.2050 8.2050 13.5635 13.5635 13.5685 13.5685 14.9466 14.9466 15.6173 15.6173 15.6322 15.6322 k = 0.0783 0.1108 0.1918 ( 1448 PWs) bands (ev): -43.4744 -43.4744 -19.9454 -19.9454 -19.3211 -19.3211 -19.2035 -19.2035 8.2878 8.2878 13.5281 13.5281 13.5325 13.5325 15.0203 15.0203 15.6187 15.6187 15.6344 15.6344 k = 0.0813 0.1150 0.1992 ( 1436 PWs) bands (ev): -43.4718 -43.4718 -19.9529 -19.9529 -19.3295 -19.3295 -19.2059 -19.2059 8.3729 8.3729 13.4918 13.4918 13.4955 13.4955 15.0963 15.0963 15.6212 15.6212 15.6376 15.6376 k = 0.0843 0.1193 0.2066 ( 1436 PWs) bands (ev): -43.4691 -43.4691 -19.9607 -19.9607 -19.3380 -19.3380 -19.2084 -19.2084 8.4604 8.4604 13.4547 13.4547 13.4577 13.4577 15.1747 15.1747 15.6246 15.6246 15.6417 15.6417 k = 0.0873 0.1235 0.2140 ( 1436 PWs) bands (ev): -43.4664 -43.4664 -19.9686 -19.9686 -19.3464 -19.3464 -19.2110 -19.2110 8.5499 8.5499 13.4169 13.4169 13.4193 13.4193 15.2554 15.2554 15.6289 15.6289 15.6468 15.6468 k = 0.0904 0.1278 0.2213 ( 1436 PWs) bands (ev): -43.4637 -43.4637 -19.9766 -19.9766 -19.3547 -19.3547 -19.2138 -19.2138 8.6416 8.6416 13.3785 13.3785 13.3804 13.3804 15.3382 15.3382 15.6342 15.6342 15.6528 15.6528 k = 0.0934 0.1321 0.2287 ( 1436 PWs) bands (ev): -43.4609 -43.4609 -19.9848 -19.9848 -19.3630 -19.3630 -19.2166 -19.2166 8.7352 8.7352 13.3397 13.3397 13.3410 13.3410 15.4230 15.4230 15.6403 15.6403 15.6597 15.6597 k = 0.0964 0.1363 0.2361 ( 1430 PWs) bands (ev): -43.4582 -43.4582 -19.9930 -19.9930 -19.3711 -19.3711 -19.2196 -19.2196 8.8307 8.8307 13.3006 13.3006 13.3014 13.3014 15.5097 15.5097 15.6473 15.6473 15.6677 15.6677 k = 0.0994 0.1406 0.2435 ( 1430 PWs) bands (ev): -43.4554 -43.4554 -20.0013 -20.0013 -19.3792 -19.3792 -19.2227 -19.2227 8.9280 8.9280 13.2613 13.2613 13.2615 13.2615 15.5974 15.5974 15.6551 15.6551 15.6775 15.6775 k = 0.1024 0.1448 0.2509 ( 1430 PWs) bands (ev): -43.4526 -43.4526 -20.0096 -20.0096 -19.3871 -19.3871 -19.2259 -19.2259 9.0269 9.0269 13.2216 13.2216 13.2220 13.2220 15.6636 15.6636 15.6717 15.6717 15.7033 15.7033 k = 0.1054 0.1491 0.2582 ( 1436 PWs) bands (ev): -43.4498 -43.4498 -20.0179 -20.0179 -19.3949 -19.3949 -19.2292 -19.2292 9.1273 9.1273 13.1818 13.1818 13.1826 13.1826 15.6728 15.6728 15.6906 15.6906 15.7870 15.7870 k = 0.1084 0.1533 0.2656 ( 1436 PWs) bands (ev): -43.4470 -43.4470 -20.0262 -20.0262 -19.4025 -19.4025 -19.2326 -19.2326 9.2291 9.2291 13.1421 13.1421 13.1434 13.1434 15.6827 15.6827 15.7020 15.7020 15.8807 15.8807 k = 0.1114 0.1576 0.2730 ( 1442 PWs) bands (ev): -43.4442 -43.4442 -20.0345 -20.0345 -19.4100 -19.4100 -19.2362 -19.2362 9.3322 9.3322 13.1027 13.1027 13.1045 13.1045 15.6931 15.6931 15.7132 15.7132 15.9768 15.9768 k = 0.1145 0.1619 0.2804 ( 1442 PWs) bands (ev): -43.4415 -43.4415 -20.0426 -20.0426 -19.4174 -19.4174 -19.2399 -19.2399 9.4365 9.4365 13.0637 13.0637 13.0659 13.0659 15.7041 15.7041 15.7247 15.7247 16.0747 16.0747 k = 0.1175 0.1661 0.2877 ( 1442 PWs) bands (ev): -43.4388 -43.4388 -20.0506 -20.0506 -19.4246 -19.4246 -19.2437 -19.2437 9.5418 9.5418 13.0251 13.0251 13.0278 13.0278 15.7155 15.7155 15.7365 15.7365 16.1744 16.1744 k = 0.1205 0.1704 0.2951 ( 1430 PWs) bands (ev): -43.4361 -43.4361 -20.0585 -20.0585 -19.4317 -19.4317 -19.2476 -19.2476 9.6480 9.6480 12.9871 12.9871 12.9902 12.9902 15.7274 15.7274 15.7487 15.7487 16.2755 16.2755 k = 0.1235 0.1746 0.3025 ( 1430 PWs) bands (ev): -43.4334 -43.4334 -20.0662 -20.0662 -19.4385 -19.4385 -19.2517 -19.2517 9.7549 9.7549 12.9498 12.9498 12.9533 12.9533 15.7397 15.7397 15.7612 15.7612 16.3781 16.3781 k = 0.1265 0.1789 0.3099 ( 1430 PWs) bands (ev): -43.4307 -43.4307 -20.0737 -20.0737 -19.4453 -19.4453 -19.2558 -19.2558 9.8624 9.8624 12.9132 12.9132 12.9171 12.9171 15.7522 15.7522 15.7740 15.7740 16.4821 16.4821 k = 0.1295 0.1832 0.3173 ( 1433 PWs) bands (ev): -43.4281 -43.4281 -20.0810 -20.0810 -19.4518 -19.4518 -19.2601 -19.2601 9.9703 9.9703 12.8773 12.8773 12.8816 12.8816 15.7651 15.7651 15.7870 15.7870 16.5874 16.5874 k = 0.1325 0.1874 0.3246 ( 1433 PWs) bands (ev): -43.4256 -43.4256 -20.0880 -20.0880 -19.4582 -19.4582 -19.2645 -19.2645 10.0786 10.0786 12.8424 12.8424 12.8471 12.8471 15.7781 15.7781 15.8001 15.8001 16.6939 16.6939 k = 0.1355 0.1917 0.3320 ( 1445 PWs) bands (ev): -43.4231 -43.4231 -20.0948 -20.0948 -19.4644 -19.4644 -19.2691 -19.2691 10.1869 10.1869 12.8084 12.8084 12.8135 12.8135 15.7913 15.7913 15.8134 15.8134 16.8016 16.8016 k = 0.1386 0.1959 0.3394 ( 1439 PWs) bands (ev): -43.4207 -43.4207 -20.1013 -20.1013 -19.4704 -19.4704 -19.2737 -19.2737 10.2952 10.2952 12.7754 12.7754 12.7808 12.7808 15.8047 15.8047 15.8268 15.8268 16.9104 16.9104 k = 0.1416 0.2002 0.3468 ( 1439 PWs) bands (ev): -43.4183 -43.4183 -20.1075 -20.1075 -19.4763 -19.4763 -19.2785 -19.2785 10.4032 10.4032 12.7435 12.7435 12.7493 12.7493 15.8181 15.8181 15.8402 15.8402 17.0202 17.0202 k = 0.1446 0.2045 0.3541 ( 1445 PWs) bands (ev): -43.4159 -43.4159 -20.1133 -20.1133 -19.4819 -19.4819 -19.2834 -19.2834 10.5108 10.5108 12.7127 12.7127 12.7188 12.7188 15.8316 15.8316 15.8537 15.8537 17.1310 17.1310 k = 0.1476 0.2087 0.3615 ( 1445 PWs) bands (ev): -43.4137 -43.4137 -20.1188 -20.1188 -19.4874 -19.4874 -19.2884 -19.2884 10.6178 10.6178 12.6830 12.6830 12.6895 12.6895 15.8450 15.8450 15.8670 15.8670 17.2428 17.2428 k = 0.1506 0.2130 0.3689 ( 1451 PWs) bands (ev): -43.4115 -43.4115 -20.1239 -20.1239 -19.4927 -19.4927 -19.2935 -19.2935 10.7240 10.7240 12.6545 12.6545 12.6614 12.6614 15.8584 15.8584 15.8804 15.8804 17.3555 17.3555 k = 0.1536 0.2172 0.3763 ( 1439 PWs) bands (ev): -43.4093 -43.4093 -20.1287 -20.1287 -19.4978 -19.4978 -19.2987 -19.2987 10.8291 10.8291 12.6273 12.6273 12.6346 12.6346 15.8717 15.8717 15.8935 15.8935 17.4691 17.4691 k = 0.1566 0.2215 0.3837 ( 1439 PWs) bands (ev): -43.4073 -43.4073 -20.1331 -20.1331 -19.5027 -19.5027 -19.3040 -19.3040 10.9329 10.9329 12.6013 12.6013 12.6089 12.6089 15.8849 15.8849 15.9066 15.9066 17.5836 17.5836 k = 0.1596 0.2258 0.3910 ( 1445 PWs) bands (ev): -43.4053 -43.4053 -20.1372 -20.1372 -19.5073 -19.5073 -19.3094 -19.3094 11.0353 11.0353 12.5767 12.5767 12.5846 12.5846 15.8980 15.8980 15.9194 15.9194 17.6989 17.6989 k = 0.1627 0.2300 0.3984 ( 1448 PWs) bands (ev): -43.4034 -43.4034 -20.1408 -20.1408 -19.5117 -19.5117 -19.3149 -19.3149 11.1359 11.1359 12.5533 12.5533 12.5616 12.5616 15.9109 15.9109 15.9321 15.9321 17.8152 17.8152 k = 0.1657 0.2343 0.4058 ( 1448 PWs) bands (ev): -43.4016 -43.4016 -20.1441 -20.1441 -19.5160 -19.5160 -19.3205 -19.3205 11.2346 11.2346 12.5313 12.5313 12.5399 12.5399 15.9235 15.9235 15.9444 15.9444 17.9323 17.9323 k = 0.1687 0.2385 0.4132 ( 1448 PWs) bands (ev): -43.3999 -43.3999 -20.1470 -20.1470 -19.5199 -19.5199 -19.3262 -19.3262 11.3310 11.3310 12.5106 12.5106 12.5196 12.5196 15.9359 15.9359 15.9566 15.9566 18.0504 18.0504 k = 0.1717 0.2428 0.4205 ( 1445 PWs) bands (ev): -43.3982 -43.3982 -20.1495 -20.1495 -19.5236 -19.5236 -19.3320 -19.3320 11.4250 11.4250 12.4913 12.4913 12.5006 12.5006 15.9481 15.9481 15.9684 15.9684 18.1695 18.1695 k = 0.1747 0.2471 0.4279 ( 1439 PWs) bands (ev): -43.3966 -43.3966 -20.1517 -20.1517 -19.5271 -19.5271 -19.3379 -19.3379 11.5163 11.5163 12.4733 12.4733 12.4830 12.4830 15.9599 15.9599 15.9799 15.9799 18.2896 18.2896 k = 0.1777 0.2513 0.4353 ( 1451 PWs) bands (ev): -43.3951 -43.3951 -20.1535 -20.1535 -19.5303 -19.5303 -19.3438 -19.3438 11.6046 11.6046 12.4567 12.4567 12.4668 12.4668 15.9715 15.9715 15.9910 15.9910 18.4107 18.4107 k = 0.1807 0.2556 0.4427 ( 1451 PWs) bands (ev): -43.3937 -43.3937 -20.1550 -20.1550 -19.5332 -19.5332 -19.3499 -19.3499 11.6896 11.6896 12.4415 12.4415 12.4519 12.4519 15.9827 15.9827 16.0018 16.0018 18.5331 18.5331 k = 0.1837 0.2598 0.4501 ( 1451 PWs) bands (ev): -43.3924 -43.3924 -20.1561 -20.1561 -19.5358 -19.5358 -19.3560 -19.3560 11.7712 11.7712 12.4277 12.4277 12.4383 12.4383 15.9935 15.9935 16.0122 16.0122 18.6568 18.6568 k = 0.1867 0.2641 0.4574 ( 1451 PWs) bands (ev): -43.3911 -43.3911 -20.1569 -20.1569 -19.5381 -19.5381 -19.3621 -19.3621 11.8490 11.8490 12.4151 12.4151 12.4261 12.4261 16.0040 16.0040 16.0221 16.0221 18.7819 18.7819 k = 0.1898 0.2684 0.4648 ( 1445 PWs) bands (ev): -43.3900 -43.3900 -20.1575 -20.1575 -19.5401 -19.5401 -19.3683 -19.3683 11.9229 11.9229 12.4040 12.4040 12.4153 12.4153 16.0141 16.0141 16.0317 16.0317 18.9085 18.9085 k = 0.1928 0.2726 0.4722 ( 1445 PWs) bands (ev): -43.3889 -43.3889 -20.1578 -20.1578 -19.5417 -19.5417 -19.3746 -19.3746 11.9925 11.9925 12.3941 12.3941 12.4057 12.4057 16.0238 16.0238 16.0409 16.0409 19.0367 19.0367 k = 0.1958 0.2769 0.4796 ( 1451 PWs) bands (ev): -43.3879 -43.3879 -20.1578 -20.1578 -19.5430 -19.5430 -19.3809 -19.3809 12.0578 12.0578 12.3856 12.3856 12.3974 12.3974 16.0331 16.0331 16.0496 16.0496 19.1668 19.1668 k = 0.1988 0.2811 0.4869 ( 1451 PWs) bands (ev): -43.3870 -43.3870 -20.1576 -20.1576 -19.5439 -19.5439 -19.3873 -19.3873 12.1184 12.1184 12.3784 12.3784 12.3904 12.3904 16.0420 16.0420 16.0578 16.0578 19.2988 19.2988 k = 0.2018 0.2854 0.4943 ( 1451 PWs) bands (ev): -43.3861 -43.3861 -20.1573 -20.1573 -19.5444 -19.5444 -19.3937 -19.3937 12.1742 12.1742 12.3724 12.3724 12.3847 12.3847 16.0505 16.0505 16.0656 16.0656 19.4329 19.4329 k = 0.2048 0.2897 0.5017 ( 1448 PWs) bands (ev): -43.3853 -43.3853 -20.1567 -20.1567 -19.5446 -19.5446 -19.4002 -19.4002 12.2251 12.2251 12.3678 12.3678 12.3801 12.3801 16.0585 16.0585 16.0729 16.0729 19.5693 19.5693 k = 0.2078 0.2939 0.5091 ( 1448 PWs) bands (ev): -43.3846 -43.3846 -20.1560 -20.1560 -19.5443 -19.5443 -19.4066 -19.4066 12.2707 12.2707 12.3646 12.3646 12.3768 12.3768 16.0661 16.0661 16.0798 16.0798 19.7081 19.7081 k = 0.2108 0.2982 0.5165 ( 1448 PWs) bands (ev): -43.3840 -43.3840 -20.1553 -20.1553 -19.5436 -19.5436 -19.4131 -19.4131 12.3105 12.3105 12.3633 12.3633 12.3745 12.3745 16.0732 16.0732 16.0862 16.0862 19.8494 19.8494 k = 0.2139 0.3024 0.5238 ( 1442 PWs) bands (ev): -43.3834 -43.3834 -20.1544 -20.1544 -19.5425 -19.5425 -19.4196 -19.4196 12.3416 12.3416 12.3668 12.3668 12.3734 12.3734 16.0799 16.0799 16.0920 16.0920 19.9936 19.9936 k = 0.2169 0.3067 0.5312 ( 1448 PWs) bands (ev): -43.3829 -43.3829 -20.1535 -20.1535 -19.5410 -19.5410 -19.4261 -19.4261 12.3537 12.3537 12.3733 12.3733 12.3851 12.3851 16.0862 16.0862 16.0974 16.0974 20.1406 20.1406 k = 0.2199 0.3110 0.5386 ( 1448 PWs) bands (ev): -43.3825 -43.3825 -20.1526 -20.1526 -19.5390 -19.5390 -19.4326 -19.4326 12.3568 12.3568 12.3743 12.3743 12.4085 12.4085 16.0919 16.0919 16.1023 16.1023 20.2906 20.2906 k = 0.2229 0.3152 0.5460 ( 1448 PWs) bands (ev): -43.3821 -43.3821 -20.1516 -20.1516 -19.5366 -19.5366 -19.4391 -19.4391 12.3591 12.3591 12.3762 12.3762 12.4285 12.4285 16.0973 16.0973 16.1067 16.1067 20.4437 20.4437 k = 0.2259 0.3195 0.5533 ( 1448 PWs) bands (ev): -43.3818 -43.3818 -20.1507 -20.1507 -19.5338 -19.5338 -19.4456 -19.4456 12.3620 12.3620 12.3790 12.3790 12.4441 12.4441 16.1021 16.1021 16.1106 16.1106 20.6001 20.6001 k = 0.2289 0.3237 0.5607 ( 1448 PWs) bands (ev): -43.3816 -43.3816 -20.1498 -20.1498 -19.5305 -19.5305 -19.4521 -19.4521 12.3655 12.3655 12.3827 12.3827 12.4551 12.4551 16.1064 16.1064 16.1140 16.1140 20.7597 20.7597 k = 0.2319 0.3280 0.5681 ( 1448 PWs) bands (ev): -43.3813 -43.3813 -20.1490 -20.1490 -19.5268 -19.5268 -19.4585 -19.4585 12.3698 12.3698 12.3872 12.3872 12.4618 12.4618 16.1103 16.1103 16.1169 16.1169 20.9225 20.9225 k = 0.2349 0.3323 0.5755 ( 1442 PWs) bands (ev): -43.3812 -43.3812 -20.1483 -20.1483 -19.5227 -19.5227 -19.4649 -19.4649 12.3747 12.3747 12.3924 12.3924 12.4642 12.4642 16.1137 16.1137 16.1192 16.1192 21.0886 21.0886 k = 0.2380 0.3365 0.5829 ( 1436 PWs) bands (ev): -43.3810 -43.3810 -20.1477 -20.1477 -19.5181 -19.5181 -19.4713 -19.4713 12.3803 12.3803 12.3983 12.3983 12.4626 12.4626 16.1166 16.1166 16.1211 16.1211 21.2577 21.2577 k = 0.2410 0.3408 0.5902 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1472 -20.1472 -19.5132 -19.5132 -19.4776 -19.4776 12.3863 12.3863 12.4049 12.4049 12.4574 12.4574 16.1190 16.1190 16.1224 16.1224 21.4294 21.4294 k = 0.2440 0.3450 0.5976 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1469 -20.1469 -19.5079 -19.5079 -19.4839 -19.4839 12.3926 12.3926 12.4120 12.4120 12.4490 12.4490 16.1209 16.1209 16.1232 16.1232 21.6026 21.6026 k = 0.2470 0.3493 0.6050 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1467 -20.1467 -19.5023 -19.5023 -19.4901 -19.4901 12.3987 12.3987 12.4196 12.4196 12.4382 12.4382 16.1222 16.1222 16.1234 16.1234 21.7744 21.7744 k = 0.2500 0.3536 0.6124 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1466 -20.1466 -19.4963 -19.4963 -19.4963 -19.4963 12.4022 12.4022 12.4276 12.4276 12.4276 12.4276 16.1231 16.1231 16.1231 16.1231 21.9129 21.9129 k = 0.2500 0.3536 0.6124 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1466 -20.1466 -19.4963 -19.4963 -19.4963 -19.4963 12.4022 12.4022 12.4276 12.4276 12.4276 12.4276 16.1231 16.1231 16.1231 16.1231 21.9129 21.9129 k = 0.2530 0.3450 0.6124 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1467 -20.1467 -19.5024 -19.5024 -19.4900 -19.4900 12.3956 12.3956 12.4250 12.4250 12.4360 12.4360 16.1222 16.1222 16.1234 16.1234 21.8494 21.8494 k = 0.2560 0.3365 0.6124 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1469 -20.1469 -19.5084 -19.5084 -19.4835 -19.4835 12.3791 12.3791 12.4304 12.4304 12.4447 12.4447 16.1208 16.1208 16.1232 16.1232 21.7768 21.7768 k = 0.2590 0.3280 0.6124 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1473 -20.1473 -19.5143 -19.5143 -19.4767 -19.4767 12.3588 12.3588 12.4380 12.4380 12.4536 12.4536 16.1189 16.1189 16.1224 16.1224 21.7060 21.7060 k = 0.2620 0.3195 0.6124 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1478 -20.1478 -19.5201 -19.5201 -19.4698 -19.4698 12.3365 12.3365 12.4464 12.4464 12.4626 12.4626 16.1163 16.1163 16.1211 16.1211 21.6373 21.6373 k = 0.2651 0.3110 0.6124 ( 1442 PWs) bands (ev): -43.3810 -43.3810 -20.1485 -20.1485 -19.5259 -19.5259 -19.4627 -19.4627 12.3128 12.3128 12.4551 12.4551 12.4717 12.4717 16.1132 16.1132 16.1192 16.1192 21.5709 21.5709 k = 0.2681 0.3024 0.6124 ( 1442 PWs) bands (ev): -43.3810 -43.3810 -20.1493 -20.1493 -19.5315 -19.5315 -19.4555 -19.4555 12.2883 12.2883 12.4639 12.4639 12.4808 12.4808 16.1095 16.1095 16.1167 16.1167 21.5069 21.5069 k = 0.2711 0.2939 0.6124 ( 1454 PWs) bands (ev): -43.3811 -43.3811 -20.1502 -20.1502 -19.5371 -19.5371 -19.4482 -19.4482 12.2633 12.2633 12.4727 12.4727 12.4898 12.4898 16.1053 16.1053 16.1137 16.1137 21.4453 21.4453 k = 0.2741 0.2854 0.6124 ( 1454 PWs) bands (ev): -43.3811 -43.3811 -20.1513 -20.1513 -19.5425 -19.5425 -19.4408 -19.4408 12.2381 12.2381 12.4814 12.4814 12.4986 12.4986 16.1005 16.1005 16.1101 16.1101 21.3862 21.3862 k = 0.2771 0.2769 0.6124 ( 1445 PWs) bands (ev): -43.3811 -43.3811 -20.1524 -20.1524 -19.5478 -19.5478 -19.4335 -19.4335 12.2132 12.2132 12.4898 12.4898 12.5071 12.5071 16.0952 16.0952 16.1059 16.1059 21.3296 21.3296 k = 0.2801 0.2684 0.6124 ( 1445 PWs) bands (ev): -43.3811 -43.3811 -20.1537 -20.1537 -19.5530 -19.5530 -19.4262 -19.4262 12.1888 12.1888 12.4980 12.4980 12.5153 12.5153 16.0893 16.0893 16.1012 16.1012 21.2757 21.2757 k = 0.2831 0.2598 0.6124 ( 1451 PWs) bands (ev): -43.3811 -43.3811 -20.1551 -20.1551 -19.5581 -19.5581 -19.4190 -19.4190 12.1652 12.1652 12.5057 12.5057 12.5231 12.5231 16.0828 16.0828 16.0959 16.0959 21.2245 21.2245 k = 0.2861 0.2513 0.6124 ( 1451 PWs) bands (ev): -43.3810 -43.3810 -20.1566 -20.1566 -19.5630 -19.5630 -19.4119 -19.4119 12.1427 12.1427 12.5129 12.5129 12.5303 12.5303 16.0759 16.0759 16.0900 16.0900 21.1760 21.1760 k = 0.2892 0.2428 0.6124 ( 1451 PWs) bands (ev): -43.3810 -43.3810 -20.1581 -20.1581 -19.5678 -19.5678 -19.4050 -19.4050 12.1216 12.1216 12.5196 12.5196 12.5369 12.5369 16.0685 16.0685 16.0837 16.0837 21.1303 21.1303 k = 0.2922 0.2343 0.6124 ( 1451 PWs) bands (ev): -43.3808 -43.3808 -20.1597 -20.1597 -19.5725 -19.5725 -19.3983 -19.3983 12.1021 12.1021 12.5256 12.5256 12.5429 12.5429 16.0606 16.0606 16.0769 16.0769 21.0874 21.0874 k = 0.2952 0.2258 0.6124 ( 1451 PWs) bands (ev): -43.3807 -43.3807 -20.1614 -20.1614 -19.5770 -19.5770 -19.3918 -19.3918 12.0844 12.0844 12.5309 12.5309 12.5480 12.5480 16.0524 16.0524 16.0696 16.0696 21.0473 21.0473 k = 0.2982 0.2172 0.6124 ( 1457 PWs) bands (ev): -43.3805 -43.3805 -20.1631 -20.1631 -19.5814 -19.5814 -19.3856 -19.3856 12.0688 12.0688 12.5353 12.5353 12.5524 12.5524 16.0438 16.0438 16.0620 16.0620 21.0101 21.0101 k = 0.3012 0.2087 0.6124 ( 1460 PWs) bands (ev): -43.3803 -43.3803 -20.1649 -20.1649 -19.5856 -19.5856 -19.3797 -19.3797 12.0556 12.0556 12.5387 12.5387 12.5557 12.5557 16.0349 16.0349 16.0540 16.0540 20.9758 20.9758 k = 0.3042 0.2002 0.6124 ( 1457 PWs) bands (ev): -43.3800 -43.3800 -20.1667 -20.1667 -19.5897 -19.5897 -19.3741 -19.3741 12.0448 12.0448 12.5412 12.5412 12.5580 12.5580 16.0258 16.0258 16.0457 16.0457 20.9444 20.9444 k = 0.3072 0.1917 0.6124 ( 1463 PWs) bands (ev): -43.3797 -43.3797 -20.1686 -20.1686 -19.5937 -19.5937 -19.3689 -19.3689 12.0367 12.0367 12.5425 12.5425 12.5592 12.5592 16.0165 16.0165 16.0372 16.0372 20.9158 20.9158 k = 0.3102 0.1832 0.6124 ( 1451 PWs) bands (ev): -43.3793 -43.3793 -20.1704 -20.1704 -19.5974 -19.5974 -19.3641 -19.3641 12.0315 12.0315 12.5427 12.5427 12.5592 12.5592 16.0071 16.0071 16.0285 16.0285 20.8902 20.8902 k = 0.3133 0.1746 0.6124 ( 1451 PWs) bands (ev): -43.3789 -43.3789 -20.1723 -20.1723 -19.6011 -19.6011 -19.3598 -19.3598 12.0293 12.0293 12.5415 12.5415 12.5579 12.5579 15.9978 15.9978 16.0198 16.0198 20.8674 20.8674 k = 0.3163 0.1661 0.6124 ( 1451 PWs) bands (ev): -43.3784 -43.3784 -20.1741 -20.1741 -19.6045 -19.6045 -19.3558 -19.3558 12.0302 12.0302 12.5390 12.5390 12.5552 12.5552 15.9886 15.9886 16.0111 16.0111 20.8474 20.8474 k = 0.3193 0.1576 0.6124 ( 1451 PWs) bands (ev): -43.3779 -43.3779 -20.1760 -20.1760 -19.6078 -19.6078 -19.3524 -19.3524 12.0344 12.0344 12.5351 12.5351 12.5511 12.5511 15.9795 15.9795 16.0026 16.0026 20.8302 20.8302 k = 0.3223 0.1491 0.6124 ( 1451 PWs) bands (ev): -43.3773 -43.3773 -20.1779 -20.1779 -19.6110 -19.6110 -19.3494 -19.3494 12.0420 12.0420 12.5297 12.5297 12.5455 12.5455 15.9708 15.9708 15.9943 15.9943 20.8158 20.8158 k = 0.3253 0.1406 0.6124 ( 1451 PWs) bands (ev): -43.3767 -43.3767 -20.1797 -20.1797 -19.6140 -19.6140 -19.3469 -19.3469 12.0531 12.0531 12.5228 12.5228 12.5383 12.5383 15.9626 15.9626 15.9863 15.9863 20.8040 20.8040 k = 0.3283 0.1321 0.6124 ( 1451 PWs) bands (ev): -43.3760 -43.3760 -20.1816 -20.1816 -19.6168 -19.6168 -19.3450 -19.3450 12.0679 12.0679 12.5142 12.5142 12.5295 12.5295 15.9548 15.9548 15.9788 15.9788 20.7948 20.7948 k = 0.3313 0.1235 0.6124 ( 1445 PWs) bands (ev): -43.3752 -43.3752 -20.1834 -20.1834 -19.6195 -19.6195 -19.3436 -19.3436 12.0864 12.0864 12.5039 12.5039 12.5190 12.5190 15.9478 15.9478 15.9719 15.9719 20.7881 20.7881 k = 0.3343 0.1150 0.6124 ( 1445 PWs) bands (ev): -43.3744 -43.3744 -20.1852 -20.1852 -19.6220 -19.6220 -19.3427 -19.3427 12.1086 12.1086 12.4919 12.4919 12.5068 12.5068 15.9414 15.9414 15.9656 15.9656 20.7838 20.7838 k = 0.3373 0.1065 0.6124 ( 1445 PWs) bands (ev): -43.3735 -43.3735 -20.1870 -20.1870 -19.6244 -19.6244 -19.3423 -19.3423 12.1347 12.1347 12.4782 12.4782 12.4928 12.4928 15.9360 15.9360 15.9602 15.9602 20.7819 20.7819 k = 0.3404 0.0980 0.6124 ( 1445 PWs) bands (ev): -43.3726 -43.3726 -20.1887 -20.1887 -19.6266 -19.6266 -19.3425 -19.3425 12.1647 12.1647 12.4627 12.4627 12.4770 12.4770 15.9316 15.9316 15.9556 15.9556 20.7821 20.7821 k = 0.3434 0.0895 0.6124 ( 1445 PWs) bands (ev): -43.3715 -43.3715 -20.1905 -20.1905 -19.6286 -19.6286 -19.3432 -19.3432 12.1986 12.1986 12.4454 12.4454 12.4595 12.4595 15.9282 15.9282 15.9521 15.9521 20.7845 20.7845 k = 0.3464 0.0809 0.6124 ( 1445 PWs) bands (ev): -43.3705 -43.3705 -20.1922 -20.1922 -19.6305 -19.6305 -19.3445 -19.3445 12.2365 12.2365 12.4263 12.4263 12.4401 12.4401 15.9260 15.9260 15.9497 15.9497 20.7888 20.7888 k = 0.3494 0.0724 0.6124 ( 1445 PWs) bands (ev): -43.3694 -43.3694 -20.1938 -20.1938 -19.6322 -19.6322 -19.3463 -19.3463 12.2784 12.2784 12.4055 12.4055 12.4189 12.4189 15.9251 15.9251 15.9484 15.9484 20.7950 20.7950 k = 0.3524 0.0639 0.6124 ( 1433 PWs) bands (ev): -43.3682 -43.3682 -20.1955 -20.1955 -19.6338 -19.6338 -19.3487 -19.3487 12.3242 12.3242 12.3830 12.3830 12.3960 12.3960 15.9255 15.9255 15.9484 15.9484 20.8029 20.8029 k = 0.3554 0.0554 0.6124 ( 1433 PWs) bands (ev): -43.3669 -43.3669 -20.1971 -20.1971 -19.6352 -19.6352 -19.3515 -19.3515 12.3574 12.3574 12.3713 12.3713 12.3754 12.3754 15.9273 15.9273 15.9498 15.9498 20.8124 20.8124 k = 0.3584 0.0469 0.6124 ( 1433 PWs) bands (ev): -43.3657 -43.3657 -20.1987 -20.1987 -19.6365 -19.6365 -19.3549 -19.3549 12.3321 12.3321 12.3449 12.3449 12.4287 12.4287 15.9306 15.9306 15.9526 15.9526 20.8233 20.8233 k = 0.3614 0.0383 0.6124 ( 1427 PWs) bands (ev): -43.3643 -43.3643 -20.2003 -20.2003 -19.6377 -19.6377 -19.3587 -19.3587 12.3044 12.3044 12.3169 12.3169 12.4867 12.4867 15.9354 15.9354 15.9568 15.9568 20.8356 20.8356 k = 0.3645 0.0298 0.6124 ( 1430 PWs) bands (ev): -43.3629 -43.3629 -20.2019 -20.2019 -19.6387 -19.6387 -19.3630 -19.3630 12.2751 12.2751 12.2873 12.2873 12.5487 12.5487 15.9418 15.9418 15.9625 15.9625 20.8490 20.8490 k = 0.3675 0.0213 0.6124 ( 1430 PWs) bands (ev): -43.3615 -43.3615 -20.2035 -20.2035 -19.6395 -19.6395 -19.3678 -19.3678 12.2443 12.2443 12.2562 12.2562 12.6147 12.6147 15.9497 15.9497 15.9697 15.9697 20.8635 20.8635 k = 0.3705 0.0128 0.6124 ( 1430 PWs) bands (ev): -43.3600 -43.3600 -20.2050 -20.2050 -19.6403 -19.6403 -19.3730 -19.3730 12.2121 12.2121 12.2236 12.2236 12.6847 12.6847 15.9592 15.9592 15.9785 15.9785 20.8788 20.8788 k = 0.3735 0.0043 0.6124 ( 1430 PWs) bands (ev): -43.3584 -43.3584 -20.2065 -20.2065 -19.6409 -19.6409 -19.3786 -19.3786 12.1786 12.1786 12.1897 12.1897 12.7586 12.7586 15.9703 15.9703 15.9888 15.9888 20.8949 20.8949 k = 0.3765-0.0043 0.6124 ( 1430 PWs) bands (ev): -43.3569 -43.3569 -20.2080 -20.2080 -19.6414 -19.6414 -19.3847 -19.3847 12.1438 12.1438 12.1546 12.1546 12.8363 12.8363 15.9830 15.9830 16.0006 16.0006 20.9117 20.9117 k = 0.3795-0.0128 0.6124 ( 1430 PWs) bands (ev): -43.3552 -43.3552 -20.2096 -20.2096 -19.6417 -19.6417 -19.3910 -19.3910 12.1079 12.1079 12.1183 12.1183 12.9178 12.9178 15.9972 15.9972 16.0140 16.0140 20.9289 20.9289 k = 0.3825-0.0213 0.6124 ( 1427 PWs) bands (ev): -43.3536 -43.3536 -20.2111 -20.2111 -19.6420 -19.6420 -19.3977 -19.3977 12.0709 12.0709 12.0811 12.0811 13.0030 13.0030 16.0130 16.0130 16.0288 16.0288 20.9464 20.9464 k = 0.3855-0.0298 0.6124 ( 1421 PWs) bands (ev): -43.3519 -43.3519 -20.2126 -20.2126 -19.6421 -19.6421 -19.4047 -19.4047 12.0331 12.0331 12.0429 12.0429 13.0918 13.0918 16.0303 16.0303 16.0451 16.0451 20.9642 20.9642 k = 0.3886-0.0383 0.6124 ( 1421 PWs) bands (ev): -43.3502 -43.3502 -20.2141 -20.2141 -19.6422 -19.6422 -19.4120 -19.4120 11.9945 11.9945 12.0040 12.0040 13.1842 13.1842 16.0490 16.0490 16.0628 16.0628 20.9820 20.9820 k = 0.3916-0.0469 0.6124 ( 1430 PWs) bands (ev): -43.3484 -43.3484 -20.2157 -20.2157 -19.6421 -19.6421 -19.4195 -19.4195 11.9553 11.9553 11.9643 11.9643 13.2799 13.2799 16.0691 16.0691 16.0818 16.0818 20.9998 20.9998 k = 0.3946-0.0554 0.6124 ( 1430 PWs) bands (ev): -43.3467 -43.3467 -20.2172 -20.2172 -19.6420 -19.6420 -19.4273 -19.4273 11.9155 11.9155 11.9242 11.9242 13.3791 13.3791 16.0906 16.0906 16.1022 16.1022 21.0174 21.0174 k = 0.3976-0.0639 0.6124 ( 1430 PWs) bands (ev): -43.3449 -43.3449 -20.2188 -20.2188 -19.6418 -19.6418 -19.4352 -19.4352 11.8753 11.8753 11.8836 11.8836 13.4814 13.4814 16.1133 16.1133 16.1238 16.1238 21.0348 21.0348 k = 0.4006-0.0724 0.6124 ( 1430 PWs) bands (ev): -43.3431 -43.3431 -20.2204 -20.2204 -19.6415 -19.6415 -19.4433 -19.4433 11.8348 11.8348 11.8428 11.8428 13.5868 13.5868 16.1372 16.1372 16.1466 16.1466 21.0518 21.0518 k = 0.4036-0.0809 0.6124 ( 1430 PWs) bands (ev): -43.3413 -43.3413 -20.2220 -20.2220 -19.6411 -19.6411 -19.4514 -19.4514 11.7941 11.7941 11.8017 11.8017 13.6951 13.6951 16.1623 16.1623 16.1704 16.1704 21.0682 21.0682 k = 0.4066-0.0895 0.6124 ( 1430 PWs) bands (ev): -43.3395 -43.3395 -20.2236 -20.2236 -19.6406 -19.6406 -19.4597 -19.4597 11.7534 11.7534 11.7607 11.7607 13.8062 13.8062 16.1883 16.1883 16.1953 16.1953 21.0841 21.0841 k = 0.4096-0.0980 0.6124 ( 1433 PWs) bands (ev): -43.3377 -43.3377 -20.2253 -20.2253 -19.6401 -19.6401 -19.4680 -19.4680 11.7128 11.7128 11.7197 11.7197 13.9200 13.9200 16.2153 16.2153 16.2211 16.2211 21.0993 21.0993 k = 0.4127-0.1065 0.6124 ( 1433 PWs) bands (ev): -43.3359 -43.3359 -20.2270 -20.2270 -19.6395 -19.6395 -19.4764 -19.4764 11.6723 11.6723 11.6789 11.6789 14.0361 14.0361 16.2432 16.2432 16.2477 16.2477 21.1138 21.1138 k = 0.4157-0.1150 0.6124 ( 1421 PWs) bands (ev): -43.3341 -43.3341 -20.2287 -20.2287 -19.6389 -19.6389 -19.4847 -19.4847 11.6322 11.6322 11.6384 11.6384 14.1546 14.1546 16.2718 16.2718 16.2750 16.2750 21.1274 21.1274 k = 0.4187-0.1235 0.6124 ( 1421 PWs) bands (ev): -43.3323 -43.3323 -20.2304 -20.2304 -19.6382 -19.6382 -19.4930 -19.4930 11.5925 11.5925 11.5983 11.5983 14.2750 14.2750 16.3011 16.3011 16.3030 16.3030 21.1402 21.1402 k = 0.4217-0.1321 0.6124 ( 1421 PWs) bands (ev): -43.3306 -43.3306 -20.2322 -20.2322 -19.6375 -19.6375 -19.5012 -19.5012 11.5533 11.5533 11.5587 11.5587 14.3973 14.3973 16.3309 16.3309 16.3315 16.3315 21.1519 21.1519 k = 0.4247-0.1406 0.6124 ( 1421 PWs) bands (ev): -43.3288 -43.3288 -20.2340 -20.2340 -19.6367 -19.6367 -19.5093 -19.5093 11.5147 11.5147 11.5198 11.5198 14.5211 14.5211 16.3604 16.3604 16.3612 16.3612 21.1627 21.1627 k = 0.4277-0.1491 0.6124 ( 1433 PWs) bands (ev): -43.3271 -43.3271 -20.2358 -20.2358 -19.6360 -19.6360 -19.5172 -19.5172 11.4769 11.4769 11.4816 11.4816 14.6463 14.6463 16.3897 16.3897 16.3917 16.3917 21.1725 21.1725 k = 0.4307-0.1576 0.6124 ( 1427 PWs) bands (ev): -43.3254 -43.3254 -20.2377 -20.2377 -19.6352 -19.6352 -19.5251 -19.5251 11.4399 11.4399 11.4442 11.4442 14.7725 14.7725 16.4191 16.4191 16.4225 16.4225 21.1812 21.1812 k = 0.4337-0.1661 0.6124 ( 1427 PWs) bands (ev): -43.3238 -43.3238 -20.2395 -20.2395 -19.6344 -19.6344 -19.5327 -19.5327 11.4038 11.4038 11.4078 11.4078 14.8995 14.8995 16.4486 16.4486 16.4533 16.4533 21.1888 21.1888 k = 0.4367-0.1746 0.6124 ( 1433 PWs) bands (ev): -43.3221 -43.3221 -20.2414 -20.2414 -19.6335 -19.6335 -19.5401 -19.5401 11.3687 11.3687 11.3724 11.3724 15.0269 15.0269 16.4780 16.4780 16.4841 16.4841 21.1953 21.1953 k = 0.4398-0.1832 0.6124 ( 1433 PWs) bands (ev): -43.3206 -43.3206 -20.2432 -20.2432 -19.6327 -19.6327 -19.5473 -19.5473 11.3346 11.3346 11.3380 11.3380 15.1543 15.1543 16.5073 16.5073 16.5148 16.5148 21.2008 21.2008 k = 0.4428-0.1917 0.6124 ( 1427 PWs) bands (ev): -43.3190 -43.3190 -20.2451 -20.2451 -19.6319 -19.6319 -19.5543 -19.5543 11.3018 11.3018 11.3049 11.3049 15.2814 15.2814 16.5363 16.5363 16.5451 16.5451 21.2052 21.2052 k = 0.4458-0.2002 0.6124 ( 1433 PWs) bands (ev): -43.3176 -43.3176 -20.2469 -20.2469 -19.6311 -19.6311 -19.5609 -19.5609 11.2702 11.2702 11.2730 11.2730 15.4079 15.4079 16.5648 16.5648 16.5750 16.5750 21.2086 21.2086 k = 0.4488-0.2087 0.6124 ( 1427 PWs) bands (ev): -43.3162 -43.3162 -20.2488 -20.2488 -19.6303 -19.6303 -19.5673 -19.5673 11.2399 11.2399 11.2424 11.2424 15.5331 15.5331 16.5928 16.5928 16.6044 16.6044 21.2110 21.2110 k = 0.4518-0.2172 0.6124 ( 1428 PWs) bands (ev): -43.3148 -43.3148 -20.2506 -20.2506 -19.6295 -19.6295 -19.5734 -19.5734 11.2110 11.2110 11.2132 11.2132 15.6567 15.6567 16.6202 16.6202 16.6330 16.6330 21.2124 21.2124 k = 0.4548-0.2258 0.6124 ( 1434 PWs) bands (ev): -43.3135 -43.3135 -20.2523 -20.2523 -19.6287 -19.6287 -19.5792 -19.5792 11.1835 11.1835 11.1855 11.1855 15.7782 15.7782 16.6467 16.6467 16.6609 16.6609 21.2129 21.2129 k = 0.4578-0.2343 0.6124 ( 1434 PWs) bands (ev): -43.3123 -43.3123 -20.2540 -20.2540 -19.6280 -19.6280 -19.5846 -19.5846 11.1575 11.1575 11.1592 11.1592 15.8969 15.8969 16.6722 16.6722 16.6877 16.6877 21.2126 21.2126 k = 0.4608-0.2428 0.6124 ( 1434 PWs) bands (ev): -43.3111 -43.3111 -20.2557 -20.2557 -19.6273 -19.6273 -19.5897 -19.5897 11.1331 11.1331 11.1346 11.1346 16.0123 16.0123 16.6967 16.6967 16.7134 16.7134 21.2114 21.2114 k = 0.4639-0.2513 0.6124 ( 1434 PWs) bands (ev): -43.3100 -43.3100 -20.2573 -20.2573 -19.6266 -19.6266 -19.5945 -19.5945 11.1103 11.1103 11.1116 11.1116 16.1237 16.1237 16.7200 16.7200 16.7379 16.7379 21.2094 21.2094 k = 0.4669-0.2598 0.6124 ( 1446 PWs) bands (ev): -43.3090 -43.3090 -20.2588 -20.2588 -19.6259 -19.6259 -19.5989 -19.5989 11.0891 11.0891 11.0902 11.0902 16.2304 16.2304 16.7420 16.7420 16.7611 16.7611 21.2067 21.2067 k = 0.4699-0.2684 0.6124 ( 1446 PWs) bands (ev): -43.3081 -43.3081 -20.2602 -20.2602 -19.6254 -19.6254 -19.6029 -19.6029 11.0697 11.0697 11.0706 11.0706 16.3317 16.3317 16.7625 16.7625 16.7827 16.7827 21.2033 21.2033 k = 0.4729-0.2769 0.6124 ( 1446 PWs) bands (ev): -43.3072 -43.3072 -20.2615 -20.2615 -19.6248 -19.6248 -19.6066 -19.6066 11.0519 11.0519 11.0527 11.0527 16.4268 16.4268 16.7815 16.7815 16.8028 16.8028 21.1992 21.1992 k = 0.4759-0.2854 0.6124 ( 1452 PWs) bands (ev): -43.3065 -43.3065 -20.2627 -20.2627 -19.6243 -19.6243 -19.6099 -19.6099 11.0360 11.0360 11.0366 11.0366 16.5149 16.5149 16.7988 16.7988 16.8212 16.8212 21.1943 21.1943 k = 0.4789-0.2939 0.6124 ( 1452 PWs) bands (ev): -43.3058 -43.3058 -20.2638 -20.2638 -19.6239 -19.6239 -19.6128 -19.6128 11.0218 11.0218 11.0223 11.0223 16.5952 16.5952 16.8143 16.8143 16.8377 16.8377 21.1888 21.1888 k = 0.4819-0.3024 0.6124 ( 1458 PWs) bands (ev): -43.3052 -43.3052 -20.2648 -20.2648 -19.6235 -19.6235 -19.6153 -19.6153 11.0095 11.0095 11.0098 11.0098 16.6667 16.6667 16.8279 16.8279 16.8525 16.8525 21.1827 21.1827 k = 0.4849-0.3110 0.6124 ( 1464 PWs) bands (ev): -43.3047 -43.3047 -20.2656 -20.2656 -19.6231 -19.6231 -19.6175 -19.6175 10.9990 10.9990 10.9993 10.9993 16.7285 16.7285 16.8396 16.8396 16.8654 16.8654 21.1761 21.1761 k = 0.4880-0.3195 0.6124 ( 1464 PWs) bands (ev): -43.3042 -43.3042 -20.2663 -20.2663 -19.6229 -19.6229 -19.6192 -19.6192 10.9904 10.9904 10.9906 10.9906 16.7798 16.7798 16.8493 16.8493 16.8766 16.8766 21.1695 21.1695 k = 0.4910-0.3280 0.6124 ( 1464 PWs) bands (ev): -43.3039 -43.3039 -20.2669 -20.2669 -19.6226 -19.6226 -19.6206 -19.6206 10.9837 10.9837 10.9838 10.9838 16.8196 16.8196 16.8569 16.8569 16.8863 16.8863 21.1634 21.1634 k = 0.4940-0.3365 0.6124 ( 1464 PWs) bands (ev): -43.3037 -43.3037 -20.2672 -20.2672 -19.6225 -19.6225 -19.6216 -19.6216 10.9790 10.9790 10.9790 10.9790 16.8470 16.8470 16.8623 16.8623 16.8947 16.8947 21.1583 21.1583 k = 0.4970-0.3450 0.6124 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2675 -20.2675 -19.6224 -19.6224 -19.6222 -19.6222 10.9761 10.9761 10.9761 10.9761 16.8621 16.8621 16.8656 16.8656 16.9013 16.9013 21.1550 21.1550 k = 0.5000-0.3536 0.6124 ( 1464 PWs) bands (ev): -43.3035 -43.3035 -20.2676 -20.2676 -19.6224 -19.6224 -19.6224 -19.6224 10.9751 10.9751 10.9751 10.9751 16.8667 16.8667 16.8667 16.8667 16.9039 16.9039 21.1538 21.1538 k = 0.2500 0.3536 0.6124 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1466 -20.1466 -19.4963 -19.4963 -19.4963 -19.4963 12.4022 12.4022 12.4276 12.4276 12.4276 12.4276 16.1231 16.1231 16.1231 16.1231 21.9129 21.9129 k = 0.2448 0.3462 0.6124 ( 1436 PWs) bands (ev): -43.3808 -43.3808 -20.1467 -20.1467 -19.5023 -19.5023 -19.4901 -19.4901 12.3976 12.3976 12.4207 12.4207 12.4383 12.4383 16.1222 16.1222 16.1234 16.1234 21.8047 21.8047 k = 0.2396 0.3388 0.6124 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1469 -20.1469 -19.5081 -19.5081 -19.4837 -19.4837 12.3883 12.3883 12.4127 12.4127 12.4529 12.4529 16.1206 16.1206 16.1234 16.1234 21.6729 21.6729 k = 0.2344 0.3315 0.6124 ( 1436 PWs) bands (ev): -43.3809 -43.3809 -20.1473 -20.1473 -19.5137 -19.5137 -19.4772 -19.4772 12.3784 12.3784 12.4011 12.4011 12.4701 12.4701 16.1181 16.1181 16.1232 16.1232 21.5405 21.5405 k = 0.2292 0.3241 0.6124 ( 1436 PWs) bands (ev): -43.3810 -43.3810 -20.1478 -20.1478 -19.5191 -19.5191 -19.4705 -19.4705 12.3681 12.3681 12.3865 12.3865 12.4892 12.4892 16.1148 16.1148 16.1228 16.1228 21.4081 21.4081 k = 0.2240 0.3167 0.6124 ( 1440 PWs) bands (ev): -43.3811 -43.3811 -20.1484 -20.1484 -19.5243 -19.5243 -19.4638 -19.4638 12.3538 12.3538 12.3725 12.3725 12.5100 12.5100 16.1106 16.1106 16.1223 16.1223 21.2760 21.2760 k = 0.2188 0.3094 0.6124 ( 1448 PWs) bands (ev): -43.3812 -43.3812 -20.1492 -20.1492 -19.5292 -19.5292 -19.4569 -19.4569 12.3316 12.3316 12.3634 12.3634 12.5325 12.5325 16.1055 16.1055 16.1216 16.1216 21.1443 21.1443 k = 0.2135 0.3020 0.6124 ( 1446 PWs) bands (ev): -43.3813 -43.3813 -20.1502 -20.1502 -19.5339 -19.5339 -19.4499 -19.4499 12.3031 12.3031 12.3578 12.3578 12.5566 12.5566 16.0995 16.0995 16.1208 16.1208 21.0129 21.0129 k = 0.2083 0.2946 0.6124 ( 1446 PWs) bands (ev): -43.3814 -43.3814 -20.1513 -20.1513 -19.5383 -19.5383 -19.4429 -19.4429 12.2700 12.2700 12.3541 12.3541 12.5824 12.5824 16.0927 16.0927 16.1199 16.1199 20.8821 20.8821 k = 0.2031 0.2873 0.6124 ( 1450 PWs) bands (ev): -43.3816 -43.3816 -20.1525 -20.1525 -19.5424 -19.5424 -19.4357 -19.4357 12.2330 12.2330 12.3520 12.3520 12.6097 12.6097 16.0852 16.0852 16.1189 16.1189 20.7518 20.7518 k = 0.1979 0.2799 0.6124 ( 1450 PWs) bands (ev): -43.3818 -43.3818 -20.1539 -20.1539 -19.5463 -19.5463 -19.4286 -19.4286 12.1925 12.1925 12.3512 12.3512 12.6386 12.6386 16.0769 16.0769 16.1178 16.1178 20.6222 20.6222 k = 0.1927 0.2725 0.6124 ( 1450 PWs) bands (ev): -43.3820 -43.3820 -20.1554 -20.1554 -19.5499 -19.5499 -19.4214 -19.4214 12.1487 12.1487 12.3517 12.3517 12.6690 12.6690 16.0678 16.0678 16.1166 16.1166 20.4932 20.4932 k = 0.1875 0.2652 0.6124 ( 1450 PWs) bands (ev): -43.3822 -43.3822 -20.1570 -20.1570 -19.5532 -19.5532 -19.4142 -19.4142 12.1020 12.1020 12.3534 12.3534 12.7010 12.7010 16.0582 16.0582 16.1153 16.1153 20.3650 20.3650 k = 0.1823 0.2578 0.6124 ( 1446 PWs) bands (ev): -43.3824 -43.3824 -20.1588 -20.1588 -19.5562 -19.5562 -19.4070 -19.4070 12.0527 12.0527 12.3563 12.3563 12.7345 12.7345 16.0479 16.0479 16.1139 16.1139 20.2377 20.2377 k = 0.1771 0.2504 0.6124 ( 1446 PWs) bands (ev): -43.3826 -43.3826 -20.1606 -20.1606 -19.5589 -19.5589 -19.3999 -19.3999 12.0012 12.0012 12.3602 12.3602 12.7694 12.7694 16.0371 16.0371 16.1124 16.1124 20.1112 20.1112 k = 0.1719 0.2431 0.6124 ( 1446 PWs) bands (ev): -43.3829 -43.3829 -20.1626 -20.1626 -19.5614 -19.5614 -19.3927 -19.3927 11.9477 11.9477 12.3652 12.3652 12.8058 12.8058 16.0257 16.0257 16.1108 16.1108 19.9856 19.9856 k = 0.1667 0.2357 0.6124 ( 1458 PWs) bands (ev): -43.3831 -43.3831 -20.1647 -20.1647 -19.5636 -19.5636 -19.3856 -19.3856 11.8925 11.8925 12.3711 12.3711 12.8436 12.8436 16.0140 16.0140 16.1092 16.1092 19.8612 19.8612 k = 0.1615 0.2283 0.6124 ( 1458 PWs) bands (ev): -43.3834 -43.3834 -20.1669 -20.1669 -19.5655 -19.5655 -19.3786 -19.3786 11.8359 11.8359 12.3779 12.3779 12.8827 12.8827 16.0018 16.0018 16.1075 16.1075 19.7377 19.7377 k = 0.1562 0.2210 0.6124 ( 1454 PWs) bands (ev): -43.3837 -43.3837 -20.1691 -20.1691 -19.5672 -19.5672 -19.3717 -19.3717 11.7783 11.7783 12.3856 12.3856 12.9232 12.9232 15.9894 15.9894 16.1058 16.1058 19.6155 19.6155 k = 0.1510 0.2136 0.6124 ( 1456 PWs) bands (ev): -43.3840 -43.3840 -20.1715 -20.1715 -19.5686 -19.5686 -19.3648 -19.3648 11.7199 11.7199 12.3940 12.3940 12.9649 12.9649 15.9766 15.9766 16.1040 16.1040 19.4945 19.4945 k = 0.1458 0.2062 0.6124 ( 1456 PWs) bands (ev): -43.3843 -43.3843 -20.1739 -20.1739 -19.5697 -19.5697 -19.3580 -19.3580 11.6610 11.6610 12.4032 12.4032 13.0078 13.0078 15.9637 15.9637 16.1022 16.1022 19.3749 19.3749 k = 0.1406 0.1989 0.6124 ( 1452 PWs) bands (ev): -43.3846 -43.3846 -20.1764 -20.1764 -19.5707 -19.5707 -19.3514 -19.3514 11.6019 11.6019 12.4130 12.4130 13.0519 13.0519 15.9506 15.9506 16.1003 16.1003 19.2567 19.2567 k = 0.1354 0.1915 0.6124 ( 1452 PWs) bands (ev): -43.3849 -43.3849 -20.1789 -20.1789 -19.5714 -19.5714 -19.3449 -19.3449 11.5428 11.5428 12.4233 12.4233 13.0970 13.0970 15.9375 15.9375 16.0984 16.0984 19.1399 19.1399 k = 0.1302 0.1841 0.6124 ( 1452 PWs) bands (ev): -43.3852 -43.3852 -20.1815 -20.1815 -19.5719 -19.5719 -19.3385 -19.3385 11.4840 11.4840 12.4341 12.4341 13.1431 13.1431 15.9243 15.9243 16.0965 16.0965 19.0248 19.0248 k = 0.1250 0.1768 0.6124 ( 1444 PWs) bands (ev): -43.3855 -43.3855 -20.1840 -20.1840 -19.5722 -19.5722 -19.3323 -19.3323 11.4257 11.4257 12.4454 12.4454 13.1902 13.1902 15.9111 15.9111 16.0946 16.0946 18.9114 18.9114 k = 0.1198 0.1694 0.6124 ( 1444 PWs) bands (ev): -43.3858 -43.3858 -20.1866 -20.1866 -19.5724 -19.5724 -19.3262 -19.3262 11.3682 11.3682 12.4570 12.4570 13.2380 13.2380 15.8980 15.8980 16.0927 16.0927 18.7998 18.7998 k = 0.1146 0.1620 0.6124 ( 1448 PWs) bands (ev): -43.3861 -43.3861 -20.1892 -20.1892 -19.5723 -19.5723 -19.3203 -19.3203 11.3117 11.3117 12.4689 12.4689 13.2865 13.2865 15.8851 15.8851 16.0908 16.0908 18.6902 18.6902 k = 0.1094 0.1547 0.6124 ( 1448 PWs) bands (ev): -43.3864 -43.3864 -20.1918 -20.1918 -19.5722 -19.5722 -19.3146 -19.3146 11.2563 11.2563 12.4809 12.4809 13.3355 13.3355 15.8724 15.8724 16.0890 16.0890 18.5827 18.5827 k = 0.1042 0.1473 0.6124 ( 1444 PWs) bands (ev): -43.3867 -43.3867 -20.1944 -20.1944 -19.5719 -19.5719 -19.3091 -19.3091 11.2022 11.2022 12.4930 12.4930 13.3850 13.3850 15.8599 15.8599 16.0871 16.0871 18.4774 18.4774 k = 0.0990 0.1399 0.6124 ( 1446 PWs) bands (ev): -43.3869 -43.3869 -20.1969 -20.1969 -19.5714 -19.5714 -19.3038 -19.3038 11.1498 11.1498 12.5052 12.5052 13.4348 13.4348 15.8477 15.8477 16.0853 16.0853 18.3745 18.3745 k = 0.0938 0.1326 0.6124 ( 1446 PWs) bands (ev): -43.3872 -43.3872 -20.1994 -20.1994 -19.5709 -19.5709 -19.2987 -19.2987 11.0990 11.0990 12.5173 12.5173 13.4846 13.4846 15.8359 15.8359 16.0835 16.0835 18.2742 18.2742 k = 0.0885 0.1252 0.6124 ( 1446 PWs) bands (ev): -43.3875 -43.3875 -20.2018 -20.2018 -19.5703 -19.5703 -19.2939 -19.2939 11.0501 11.0501 12.5293 12.5293 13.5345 13.5345 15.8244 15.8244 16.0818 16.0818 18.1766 18.1766 k = 0.0833 0.1179 0.6124 ( 1452 PWs) bands (ev): -43.3878 -43.3878 -20.2041 -20.2041 -19.5697 -19.5697 -19.2892 -19.2892 11.0033 11.0033 12.5411 12.5411 13.5840 13.5840 15.8134 15.8134 16.0801 16.0801 18.0820 18.0820 k = 0.0781 0.1105 0.6124 ( 1448 PWs) bands (ev): -43.3880 -43.3880 -20.2064 -20.2064 -19.5690 -19.5690 -19.2848 -19.2848 10.9586 10.9586 12.5527 12.5527 13.6330 13.6330 15.8028 15.8028 16.0785 16.0785 17.9906 17.9906 k = 0.0729 0.1031 0.6124 ( 1448 PWs) bands (ev): -43.3883 -43.3883 -20.2085 -20.2085 -19.5682 -19.5682 -19.2807 -19.2807 10.9162 10.9162 12.5638 12.5638 13.6813 13.6813 15.7927 15.7927 16.0770 16.0770 17.9027 17.9027 k = 0.0677 0.0958 0.6124 ( 1444 PWs) bands (ev): -43.3885 -43.3885 -20.2106 -20.2106 -19.5675 -19.5675 -19.2768 -19.2768 10.8763 10.8763 12.5746 12.5746 13.7286 13.7286 15.7832 15.7832 16.0755 16.0755 17.8185 17.8185 k = 0.0625 0.0884 0.6124 ( 1444 PWs) bands (ev): -43.3887 -43.3887 -20.2126 -20.2126 -19.5667 -19.5667 -19.2731 -19.2731 10.8389 10.8389 12.5848 12.5848 13.7745 13.7745 15.7742 15.7742 16.0742 16.0742 17.7383 17.7383 k = 0.0573 0.0810 0.6124 ( 1446 PWs) bands (ev): -43.3889 -43.3889 -20.2144 -20.2144 -19.5660 -19.5660 -19.2698 -19.2698 10.8041 10.8041 12.5945 12.5945 13.8188 13.8188 15.7659 15.7659 16.0729 16.0729 17.6625 17.6625 k = 0.0521 0.0737 0.6124 ( 1442 PWs) bands (ev): -43.3891 -43.3891 -20.2161 -20.2161 -19.5652 -19.5652 -19.2667 -19.2667 10.7720 10.7720 12.6036 12.6036 13.8612 13.8612 15.7582 15.7582 16.0717 16.0717 17.5914 17.5914 k = 0.0469 0.0663 0.6124 ( 1442 PWs) bands (ev): -43.3893 -43.3893 -20.2177 -20.2177 -19.5645 -19.5645 -19.2639 -19.2639 10.7427 10.7427 12.6120 12.6120 13.9012 13.9012 15.7511 15.7511 16.0706 16.0706 17.5254 17.5254 k = 0.0417 0.0589 0.6124 ( 1448 PWs) bands (ev): -43.3895 -43.3895 -20.2191 -20.2191 -19.5639 -19.5639 -19.2613 -19.2613 10.7164 10.7164 12.6197 12.6197 13.9384 13.9384 15.7447 15.7447 16.0696 16.0696 17.4648 17.4648 k = 0.0365 0.0516 0.6124 ( 1452 PWs) bands (ev): -43.3896 -43.3896 -20.2203 -20.2203 -19.5633 -19.5633 -19.2591 -19.2591 10.6929 10.6929 12.6266 12.6266 13.9726 13.9726 15.7391 15.7391 16.0687 16.0687 17.4101 17.4101 k = 0.0312 0.0442 0.6124 ( 1444 PWs) bands (ev): -43.3897 -43.3897 -20.2214 -20.2214 -19.5627 -19.5627 -19.2571 -19.2571 10.6725 10.6725 12.6326 12.6326 14.0032 14.0032 15.7341 15.7341 16.0679 16.0679 17.3617 17.3617 k = 0.0260 0.0368 0.6124 ( 1444 PWs) bands (ev): -43.3898 -43.3898 -20.2224 -20.2224 -19.5622 -19.5622 -19.2555 -19.2555 10.6551 10.6551 12.6378 12.6378 14.0299 14.0299 15.7299 15.7299 16.0672 16.0672 17.3199 17.3199 k = 0.0208 0.0295 0.6124 ( 1436 PWs) bands (ev): -43.3899 -43.3899 -20.2232 -20.2232 -19.5618 -19.5618 -19.2541 -19.2541 10.6409 10.6409 12.6421 12.6421 14.0524 14.0524 15.7264 15.7264 16.0667 16.0667 17.2851 17.2851 k = 0.0156 0.0221 0.6124 ( 1432 PWs) bands (ev): -43.3900 -43.3900 -20.2238 -20.2238 -19.5615 -19.5615 -19.2531 -19.2531 10.6297 10.6297 12.6455 12.6455 14.0702 14.0702 15.7237 15.7237 16.0663 16.0663 17.2577 17.2577 k = 0.0104 0.0147 0.6124 ( 1432 PWs) bands (ev): -43.3901 -43.3901 -20.2242 -20.2242 -19.5613 -19.5613 -19.2523 -19.2523 10.6218 10.6218 12.6479 12.6479 14.0832 14.0832 15.7218 15.7218 16.0659 16.0659 17.2378 17.2378 k = 0.0052 0.0074 0.6124 ( 1432 PWs) bands (ev): -43.3901 -43.3901 -20.2245 -20.2245 -19.5612 -19.5612 -19.2518 -19.2518 10.6170 10.6170 12.6494 12.6494 14.0911 14.0911 15.7206 15.7206 16.0658 16.0658 17.2259 17.2259 k = 0.0000 0.0000 0.6124 ( 1432 PWs) bands (ev): -43.3901 -43.3901 -20.2246 -20.2246 -19.5611 -19.5611 -19.2517 -19.2517 10.6154 10.6154 12.6499 12.6499 14.0937 14.0937 15.7202 15.7202 16.0657 16.0657 17.2219 17.2219 Writing output data file Ti.save init_run : 0.15s CPU 0.55s WALL ( 1 calls) electrons : 34.12s CPU 38.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 34.11s CPU 38.97s 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) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 452 calls) cegterg : 31.56s CPU 32.45s WALL ( 461 calls) Called by sum_band: Called by *egterg: h_psi : 15.27s CPU 16.04s WALL ( 7363 calls) g_psi : 0.06s CPU 0.05s WALL ( 6450 calls) cdiaghg : 14.78s CPU 15.01s WALL ( 6902 calls) cegterg:over : 1.07s CPU 1.14s WALL ( 6450 calls) cegterg:upda : 0.84s CPU 0.88s WALL ( 6450 calls) cegterg:last : 0.48s CPU 0.44s WALL ( 1816 calls) cdiaghg:chol : 0.71s CPU 0.80s WALL ( 6902 calls) cdiaghg:inve : 0.14s CPU 0.17s WALL ( 6902 calls) cdiaghg:para : 1.17s CPU 1.07s WALL ( 13804 calls) Called by h_psi: h_psi:vloc : 14.08s CPU 14.82s WALL ( 7363 calls) h_psi:vnl : 1.16s CPU 1.19s WALL ( 7363 calls) add_vuspsi : 0.65s CPU 0.64s WALL ( 7363 calls) General routines calbec : 0.50s CPU 0.53s WALL ( 7363 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 13.30s CPU 14.03s WALL ( 436472 calls) davcio : 0.10s CPU 0.09s WALL ( 904 calls) Parallel routines fft_scatter : 8.43s CPU 8.78s WALL ( 436485 calls) PWSCF : 0m41.03s CPU 2m 3.77s WALL This run was terminated on: 21:21: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=