Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:27: 8 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: ./Mn.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 43 43 12 1207 1207 183 Max 44 44 13 1210 1210 186 Sum 1557 1557 439 43507 43507 6645 bravais-lattice index = 14 lattice parameter (alat) = 8.4599 a.u. unit-cell volume = 450.1160 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 8.459907 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.237866 celldm(5)= -0.237866 celldm(6)= -0.524267 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.524267 0.851554 0.000000 ) a(3) = ( -0.237866 -0.425777 0.873003 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.615660 0.572736 ) b(2) = ( 0.000000 1.174324 0.572736 ) b(3) = ( 0.000000 0.000000 1.145472 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 Mn 15.00 54.93800 Mn( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2621336 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4257769 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2378664 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4257769 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0000000 0.0139692), wk = 0.0027027 k( 3) = ( 0.0000000 0.0000000 0.0279383), wk = 0.0027027 k( 4) = ( 0.0000000 0.0000000 0.0419075), wk = 0.0027027 k( 5) = ( 0.0000000 0.0000000 0.0558767), wk = 0.0027027 k( 6) = ( 0.0000000 0.0000000 0.0698458), wk = 0.0027027 k( 7) = ( 0.0000000 0.0000000 0.0838150), wk = 0.0027027 k( 8) = ( 0.0000000 0.0000000 0.0977842), wk = 0.0027027 k( 9) = ( 0.0000000 0.0000000 0.1117534), wk = 0.0027027 k( 10) = ( 0.0000000 0.0000000 0.1257225), wk = 0.0027027 k( 11) = ( 0.0000000 0.0000000 0.1396917), wk = 0.0027027 k( 12) = ( 0.0000000 0.0000000 0.1536609), wk = 0.0027027 k( 13) = ( 0.0000000 0.0000000 0.1676300), wk = 0.0027027 k( 14) = ( 0.0000000 0.0000000 0.1815992), wk = 0.0027027 k( 15) = ( 0.0000000 0.0000000 0.1955684), wk = 0.0027027 k( 16) = ( 0.0000000 0.0000000 0.2095375), wk = 0.0027027 k( 17) = ( 0.0000000 0.0000000 0.2235067), wk = 0.0027027 k( 18) = ( 0.0000000 0.0000000 0.2374759), wk = 0.0027027 k( 19) = ( 0.0000000 0.0000000 0.2514451), wk = 0.0027027 k( 20) = ( 0.0000000 0.0000000 0.2654142), wk = 0.0027027 k( 21) = ( 0.0000000 0.0000000 0.2793834), wk = 0.0027027 k( 22) = ( 0.0000000 0.0000000 0.2933526), wk = 0.0027027 k( 23) = ( 0.0000000 0.0000000 0.3073217), wk = 0.0027027 k( 24) = ( 0.0000000 0.0000000 0.3212909), wk = 0.0027027 k( 25) = ( 0.0000000 0.0000000 0.3352601), wk = 0.0027027 k( 26) = ( 0.0000000 0.0000000 0.3492292), wk = 0.0027027 k( 27) = ( 0.0000000 0.0000000 0.3631984), wk = 0.0027027 k( 28) = ( 0.0000000 0.0000000 0.3771676), wk = 0.0027027 k( 29) = ( 0.0000000 0.0000000 0.3911367), wk = 0.0027027 k( 30) = ( 0.0000000 0.0000000 0.4051059), wk = 0.0027027 k( 31) = ( 0.0000000 0.0000000 0.4190751), wk = 0.0027027 k( 32) = ( 0.0000000 0.0000000 0.4330443), wk = 0.0027027 k( 33) = ( 0.0000000 0.0000000 0.4470134), wk = 0.0027027 k( 34) = ( 0.0000000 0.0000000 0.4609826), wk = 0.0027027 k( 35) = ( 0.0000000 0.0000000 0.4749518), wk = 0.0027027 k( 36) = ( 0.0000000 0.0000000 0.4889209), wk = 0.0027027 k( 37) = ( 0.0000000 0.0000000 0.5028901), wk = 0.0027027 k( 38) = ( 0.0000000 0.0000000 0.5168593), wk = 0.0027027 k( 39) = ( 0.0000000 0.0000000 0.5308284), wk = 0.0027027 k( 40) = ( 0.0000000 0.0000000 0.5447976), wk = 0.0027027 k( 41) = ( 0.0000000 0.0000000 0.5587668), wk = 0.0027027 k( 42) = ( 0.0000000 0.0000000 0.5727360), wk = 0.0027027 k( 43) = ( 0.0000000 0.0000000 0.5727360), wk = 0.0027027 k( 44) = ( -0.0121951 0.0068130 0.5727360), wk = 0.0027027 k( 45) = ( -0.0243902 0.0136260 0.5727360), wk = 0.0027027 k( 46) = ( -0.0365854 0.0204389 0.5727360), wk = 0.0027027 k( 47) = ( -0.0487805 0.0272519 0.5727360), wk = 0.0027027 k( 48) = ( -0.0609756 0.0340649 0.5727360), wk = 0.0027027 k( 49) = ( -0.0731707 0.0408779 0.5727360), wk = 0.0027027 k( 50) = ( -0.0853658 0.0476909 0.5727360), wk = 0.0027027 k( 51) = ( -0.0975610 0.0545038 0.5727360), wk = 0.0027027 k( 52) = ( -0.1097561 0.0613168 0.5727360), wk = 0.0027027 k( 53) = ( -0.1219512 0.0681298 0.5727360), wk = 0.0027027 k( 54) = ( -0.1341463 0.0749428 0.5727360), wk = 0.0027027 k( 55) = ( -0.1463415 0.0817558 0.5727360), wk = 0.0027027 k( 56) = ( -0.1585366 0.0885687 0.5727360), wk = 0.0027027 k( 57) = ( -0.1707317 0.0953817 0.5727360), wk = 0.0027027 k( 58) = ( -0.1829268 0.1021947 0.5727360), wk = 0.0027027 k( 59) = ( -0.1951219 0.1090077 0.5727360), wk = 0.0027027 k( 60) = ( -0.2073171 0.1158207 0.5727360), wk = 0.0027027 k( 61) = ( -0.2195122 0.1226336 0.5727360), wk = 0.0027027 k( 62) = ( -0.2317073 0.1294466 0.5727360), wk = 0.0027027 k( 63) = ( -0.2439024 0.1362596 0.5727360), wk = 0.0027027 k( 64) = ( -0.2560976 0.1430726 0.5727360), wk = 0.0027027 k( 65) = ( -0.2682927 0.1498856 0.5727360), wk = 0.0027027 k( 66) = ( -0.2804878 0.1566985 0.5727360), wk = 0.0027027 k( 67) = ( -0.2926829 0.1635115 0.5727360), wk = 0.0027027 k( 68) = ( -0.3048781 0.1703245 0.5727360), wk = 0.0027027 k( 69) = ( -0.3170732 0.1771375 0.5727360), wk = 0.0027027 k( 70) = ( -0.3292683 0.1839505 0.5727360), wk = 0.0027027 k( 71) = ( -0.3414634 0.1907634 0.5727360), wk = 0.0027027 k( 72) = ( -0.3536585 0.1975764 0.5727360), wk = 0.0027027 k( 73) = ( -0.3658537 0.2043894 0.5727360), wk = 0.0027027 k( 74) = ( -0.3780488 0.2112024 0.5727360), wk = 0.0027027 k( 75) = ( -0.3902439 0.2180154 0.5727360), wk = 0.0027027 k( 76) = ( -0.4024390 0.2248283 0.5727360), wk = 0.0027027 k( 77) = ( -0.4146341 0.2316413 0.5727360), wk = 0.0027027 k( 78) = ( -0.4268293 0.2384543 0.5727360), wk = 0.0027027 k( 79) = ( -0.4390244 0.2452673 0.5727360), wk = 0.0027027 k( 80) = ( -0.4512195 0.2520803 0.5727360), wk = 0.0027027 k( 81) = ( -0.4634146 0.2588932 0.5727360), wk = 0.0027027 k( 82) = ( -0.4756098 0.2657062 0.5727360), wk = 0.0027027 k( 83) = ( -0.4878049 0.2725192 0.5727360), wk = 0.0027027 k( 84) = ( -0.5000000 0.2793322 0.5727360), wk = 0.0027027 k( 85) = ( -0.5000000 0.2793322 0.5727360), wk = 0.0027027 k( 86) = ( -0.4912281 0.2744316 0.5626880), wk = 0.0027027 k( 87) = ( -0.4824561 0.2695311 0.5526400), wk = 0.0027027 k( 88) = ( -0.4736842 0.2646305 0.5425920), wk = 0.0027027 k( 89) = ( -0.4649123 0.2597299 0.5325440), wk = 0.0027027 k( 90) = ( -0.4561404 0.2548294 0.5224960), wk = 0.0027027 k( 91) = ( -0.4473684 0.2499288 0.5124480), wk = 0.0027027 k( 92) = ( -0.4385965 0.2450282 0.5024000), wk = 0.0027027 k( 93) = ( -0.4298246 0.2401277 0.4923520), wk = 0.0027027 k( 94) = ( -0.4210526 0.2352271 0.4823040), wk = 0.0027027 k( 95) = ( -0.4122807 0.2303265 0.4722560), wk = 0.0027027 k( 96) = ( -0.4035088 0.2254260 0.4622080), wk = 0.0027027 k( 97) = ( -0.3947368 0.2205254 0.4521600), wk = 0.0027027 k( 98) = ( -0.3859649 0.2156248 0.4421120), wk = 0.0027027 k( 99) = ( -0.3771930 0.2107243 0.4320640), wk = 0.0027027 k( 100) = ( -0.3684211 0.2058237 0.4220160), wk = 0.0027027 k( 101) = ( -0.3596491 0.2009232 0.4119680), wk = 0.0027027 k( 102) = ( -0.3508772 0.1960226 0.4019200), wk = 0.0027027 k( 103) = ( -0.3421053 0.1911220 0.3918720), wk = 0.0027027 k( 104) = ( -0.3333333 0.1862215 0.3818240), wk = 0.0027027 k( 105) = ( -0.3245614 0.1813209 0.3717760), wk = 0.0027027 k( 106) = ( -0.3157895 0.1764203 0.3617280), wk = 0.0027027 k( 107) = ( -0.3070175 0.1715198 0.3516800), wk = 0.0027027 k( 108) = ( -0.2982456 0.1666192 0.3416320), wk = 0.0027027 k( 109) = ( -0.2894737 0.1617186 0.3315840), wk = 0.0027027 k( 110) = ( -0.2807018 0.1568181 0.3215360), wk = 0.0027027 k( 111) = ( -0.2719298 0.1519175 0.3114880), wk = 0.0027027 k( 112) = ( -0.2631579 0.1470169 0.3014400), wk = 0.0027027 k( 113) = ( -0.2543860 0.1421164 0.2913920), wk = 0.0027027 k( 114) = ( -0.2456140 0.1372158 0.2813440), wk = 0.0027027 k( 115) = ( -0.2368421 0.1323153 0.2712960), wk = 0.0027027 k( 116) = ( -0.2280702 0.1274147 0.2612480), wk = 0.0027027 k( 117) = ( -0.2192983 0.1225141 0.2512000), wk = 0.0027027 k( 118) = ( -0.2105263 0.1176136 0.2411520), wk = 0.0027027 k( 119) = ( -0.2017544 0.1127130 0.2311040), wk = 0.0027027 k( 120) = ( -0.1929825 0.1078124 0.2210560), wk = 0.0027027 k( 121) = ( -0.1842105 0.1029119 0.2110080), wk = 0.0027027 k( 122) = ( -0.1754386 0.0980113 0.2009600), wk = 0.0027027 k( 123) = ( -0.1666667 0.0931107 0.1909120), wk = 0.0027027 k( 124) = ( -0.1578947 0.0882102 0.1808640), wk = 0.0027027 k( 125) = ( -0.1491228 0.0833096 0.1708160), wk = 0.0027027 k( 126) = ( -0.1403509 0.0784090 0.1607680), wk = 0.0027027 k( 127) = ( -0.1315790 0.0735085 0.1507200), wk = 0.0027027 k( 128) = ( -0.1228070 0.0686079 0.1406720), wk = 0.0027027 k( 129) = ( -0.1140351 0.0637073 0.1306240), wk = 0.0027027 k( 130) = ( -0.1052632 0.0588068 0.1205760), wk = 0.0027027 k( 131) = ( -0.0964912 0.0539062 0.1105280), wk = 0.0027027 k( 132) = ( -0.0877193 0.0490056 0.1004800), wk = 0.0027027 k( 133) = ( -0.0789474 0.0441051 0.0904320), wk = 0.0027027 k( 134) = ( -0.0701754 0.0392045 0.0803840), wk = 0.0027027 k( 135) = ( -0.0614035 0.0343040 0.0703360), wk = 0.0027027 k( 136) = ( -0.0526316 0.0294034 0.0602880), wk = 0.0027027 k( 137) = ( -0.0438597 0.0245028 0.0502400), wk = 0.0027027 k( 138) = ( -0.0350877 0.0196023 0.0401920), wk = 0.0027027 k( 139) = ( -0.0263158 0.0147017 0.0301440), wk = 0.0027027 k( 140) = ( -0.0175439 0.0098011 0.0200960), wk = 0.0027027 k( 141) = ( -0.0087719 0.0049006 0.0100480), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 144) = ( 0.0068823 0.0123191 -0.0000000), wk = 0.0027027 k( 145) = ( 0.0137645 0.0246382 -0.0000000), wk = 0.0027027 k( 146) = ( 0.0206468 0.0369574 -0.0000000), wk = 0.0027027 k( 147) = ( 0.0275290 0.0492765 -0.0000000), wk = 0.0027027 k( 148) = ( 0.0344113 0.0615956 -0.0000000), wk = 0.0027027 k( 149) = ( 0.0412935 0.0739147 -0.0000000), wk = 0.0027027 k( 150) = ( 0.0481758 0.0862338 -0.0000000), wk = 0.0027027 k( 151) = ( 0.0550580 0.0985530 -0.0000000), wk = 0.0027027 k( 152) = ( 0.0619403 0.1108721 -0.0000000), wk = 0.0027027 k( 153) = ( 0.0688225 0.1231912 -0.0000000), wk = 0.0027027 k( 154) = ( 0.0757048 0.1355103 -0.0000000), wk = 0.0027027 k( 155) = ( 0.0825870 0.1478294 -0.0000000), wk = 0.0027027 k( 156) = ( 0.0894693 0.1601485 -0.0000000), wk = 0.0027027 k( 157) = ( 0.0963515 0.1724677 -0.0000000), wk = 0.0027027 k( 158) = ( 0.1032338 0.1847868 -0.0000000), wk = 0.0027027 k( 159) = ( 0.1101160 0.1971059 -0.0000000), wk = 0.0027027 k( 160) = ( 0.1169983 0.2094250 -0.0000000), wk = 0.0027027 k( 161) = ( 0.1238806 0.2217442 -0.0000000), wk = 0.0027027 k( 162) = ( 0.1307628 0.2340633 -0.0000000), wk = 0.0027027 k( 163) = ( 0.1376451 0.2463824 -0.0000000), wk = 0.0027027 k( 164) = ( 0.1445273 0.2587015 -0.0000000), wk = 0.0027027 k( 165) = ( 0.1514096 0.2710206 -0.0000000), wk = 0.0027027 k( 166) = ( 0.1582918 0.2833398 -0.0000000), wk = 0.0027027 k( 167) = ( 0.1651741 0.2956589 -0.0000000), wk = 0.0027027 k( 168) = ( 0.1720563 0.3079780 -0.0000000), wk = 0.0027027 k( 169) = ( 0.1789386 0.3202971 -0.0000000), wk = 0.0027027 k( 170) = ( 0.1858208 0.3326162 -0.0000000), wk = 0.0027027 k( 171) = ( 0.1927031 0.3449353 -0.0000000), wk = 0.0027027 k( 172) = ( 0.1995853 0.3572545 -0.0000000), wk = 0.0027027 k( 173) = ( 0.2064676 0.3695736 -0.0000000), wk = 0.0027027 k( 174) = ( 0.2133499 0.3818927 -0.0000000), wk = 0.0027027 k( 175) = ( 0.2202321 0.3942118 -0.0000000), wk = 0.0027027 k( 176) = ( 0.2271144 0.4065309 -0.0000000), wk = 0.0027027 k( 177) = ( 0.2339966 0.4188501 -0.0000000), wk = 0.0027027 k( 178) = ( 0.2408789 0.4311692 -0.0000000), wk = 0.0027027 k( 179) = ( 0.2477611 0.4434883 -0.0000000), wk = 0.0027027 k( 180) = ( 0.2546434 0.4558074 -0.0000000), wk = 0.0027027 k( 181) = ( 0.2615256 0.4681266 -0.0000000), wk = 0.0027027 k( 182) = ( 0.2684079 0.4804457 -0.0000000), wk = 0.0027027 k( 183) = ( 0.2752901 0.4927648 -0.0000000), wk = 0.0027027 k( 184) = ( 0.2821724 0.5050839 -0.0000000), wk = 0.0027027 k( 185) = ( 0.2890546 0.5174030 -0.0000000), wk = 0.0027027 k( 186) = ( 0.2959369 0.5297221 -0.0000000), wk = 0.0027027 k( 187) = ( 0.3028191 0.5420413 -0.0000000), wk = 0.0027027 k( 188) = ( 0.3097014 0.5543604 -0.0000000), wk = 0.0027027 k( 189) = ( 0.3165836 0.5666795 -0.0000000), wk = 0.0027027 k( 190) = ( 0.3234659 0.5789986 -0.0000000), wk = 0.0027027 k( 191) = ( 0.3303482 0.5913177 -0.0000000), wk = 0.0027027 k( 192) = ( 0.3372304 0.6036369 -0.0000000), wk = 0.0027027 k( 193) = ( 0.3441127 0.6159560 -0.0000000), wk = 0.0027027 k( 194) = ( 0.3509949 0.6282751 -0.0000000), wk = 0.0027027 k( 195) = ( 0.3578772 0.6405942 -0.0000000), wk = 0.0027027 k( 196) = ( 0.3647594 0.6529133 -0.0000000), wk = 0.0027027 k( 197) = ( 0.3716417 0.6652325 -0.0000000), wk = 0.0027027 k( 198) = ( 0.3785239 0.6775516 -0.0000000), wk = 0.0027027 k( 199) = ( 0.3854062 0.6898707 -0.0000000), wk = 0.0027027 k( 200) = ( 0.3922884 0.7021898 -0.0000000), wk = 0.0027027 k( 201) = ( 0.3991707 0.7145089 -0.0000000), wk = 0.0027027 k( 202) = ( 0.4060529 0.7268280 -0.0000000), wk = 0.0027027 k( 203) = ( 0.4060529 0.7268280 -0.0000000), wk = 0.0027027 k( 204) = ( 0.4027327 0.7208848 0.0121859), wk = 0.0027027 k( 205) = ( 0.3994124 0.7149416 0.0243717), wk = 0.0027027 k( 206) = ( 0.3960921 0.7089983 0.0365576), wk = 0.0027027 k( 207) = ( 0.3927718 0.7030551 0.0487435), wk = 0.0027027 k( 208) = ( 0.3894516 0.6971119 0.0609294), wk = 0.0027027 k( 209) = ( 0.3861313 0.6911686 0.0731152), wk = 0.0027027 k( 210) = ( 0.3828110 0.6852254 0.0853011), wk = 0.0027027 k( 211) = ( 0.3794907 0.6792821 0.0974870), wk = 0.0027027 k( 212) = ( 0.3761705 0.6733389 0.1096729), wk = 0.0027027 k( 213) = ( 0.3728502 0.6673957 0.1218587), wk = 0.0027027 k( 214) = ( 0.3695299 0.6614524 0.1340446), wk = 0.0027027 k( 215) = ( 0.3662096 0.6555092 0.1462305), wk = 0.0027027 k( 216) = ( 0.3628894 0.6495660 0.1584163), wk = 0.0027027 k( 217) = ( 0.3595691 0.6436227 0.1706022), wk = 0.0027027 k( 218) = ( 0.3562488 0.6376795 0.1827881), wk = 0.0027027 k( 219) = ( 0.3529285 0.6317362 0.1949739), wk = 0.0027027 k( 220) = ( 0.3496083 0.6257930 0.2071598), wk = 0.0027027 k( 221) = ( 0.3462880 0.6198498 0.2193457), wk = 0.0027027 k( 222) = ( 0.3429677 0.6139065 0.2315316), wk = 0.0027027 k( 223) = ( 0.3396474 0.6079633 0.2437174), wk = 0.0027027 k( 224) = ( 0.3363272 0.6020201 0.2559033), wk = 0.0027027 k( 225) = ( 0.3330069 0.5960768 0.2680892), wk = 0.0027027 k( 226) = ( 0.3296866 0.5901336 0.2802750), wk = 0.0027027 k( 227) = ( 0.3263663 0.5841903 0.2924609), wk = 0.0027027 k( 228) = ( 0.3230461 0.5782471 0.3046468), wk = 0.0027027 k( 229) = ( 0.3197258 0.5723039 0.3168326), wk = 0.0027027 k( 230) = ( 0.3164055 0.5663606 0.3290185), wk = 0.0027027 k( 231) = ( 0.3130852 0.5604174 0.3412044), wk = 0.0027027 k( 232) = ( 0.3097650 0.5544742 0.3533903), wk = 0.0027027 k( 233) = ( 0.3064447 0.5485309 0.3655761), wk = 0.0027027 k( 234) = ( 0.3031244 0.5425877 0.3777620), wk = 0.0027027 k( 235) = ( 0.2998041 0.5366444 0.3899479), wk = 0.0027027 k( 236) = ( 0.2964839 0.5307012 0.4021338), wk = 0.0027027 k( 237) = ( 0.2931636 0.5247580 0.4143196), wk = 0.0027027 k( 238) = ( 0.2898433 0.5188147 0.4265055), wk = 0.0027027 k( 239) = ( 0.2865230 0.5128715 0.4386914), wk = 0.0027027 k( 240) = ( 0.2832028 0.5069282 0.4508772), wk = 0.0027027 k( 241) = ( 0.2798825 0.5009850 0.4630631), wk = 0.0027027 k( 242) = ( 0.2765622 0.4950418 0.4752490), wk = 0.0027027 k( 243) = ( 0.2732419 0.4890985 0.4874349), wk = 0.0027027 k( 244) = ( 0.2699217 0.4831553 0.4996207), wk = 0.0027027 k( 245) = ( 0.2666014 0.4772121 0.5118066), wk = 0.0027027 k( 246) = ( 0.2632811 0.4712688 0.5239925), wk = 0.0027027 k( 247) = ( 0.2599608 0.4653256 0.5361783), wk = 0.0027027 k( 248) = ( 0.2566406 0.4593823 0.5483642), wk = 0.0027027 k( 249) = ( 0.2533203 0.4534391 0.5605501), wk = 0.0027027 k( 250) = ( 0.2500000 0.4474959 0.5727360), wk = 0.0027027 k( 251) = ( 0.2500000 0.4474959 0.5727360), wk = 0.0027027 k( 252) = ( 0.2413793 0.4523119 0.5628612), wk = 0.0027027 k( 253) = ( 0.2327586 0.4571280 0.5529864), wk = 0.0027027 k( 254) = ( 0.2241379 0.4619441 0.5431117), wk = 0.0027027 k( 255) = ( 0.2155172 0.4667602 0.5332369), wk = 0.0027027 k( 256) = ( 0.2068966 0.4715762 0.5233622), wk = 0.0027027 k( 257) = ( 0.1982759 0.4763923 0.5134874), wk = 0.0027027 k( 258) = ( 0.1896552 0.4812084 0.5036126), wk = 0.0027027 k( 259) = ( 0.1810345 0.4860244 0.4937379), wk = 0.0027027 k( 260) = ( 0.1724138 0.4908405 0.4838631), wk = 0.0027027 k( 261) = ( 0.1637931 0.4956566 0.4739884), wk = 0.0027027 k( 262) = ( 0.1551724 0.5004727 0.4641136), wk = 0.0027027 k( 263) = ( 0.1465517 0.5052887 0.4542389), wk = 0.0027027 k( 264) = ( 0.1379310 0.5101048 0.4443641), wk = 0.0027027 k( 265) = ( 0.1293103 0.5149209 0.4344893), wk = 0.0027027 k( 266) = ( 0.1206897 0.5197369 0.4246146), wk = 0.0027027 k( 267) = ( 0.1120690 0.5245530 0.4147398), wk = 0.0027027 k( 268) = ( 0.1034483 0.5293691 0.4048651), wk = 0.0027027 k( 269) = ( 0.0948276 0.5341852 0.3949903), wk = 0.0027027 k( 270) = ( 0.0862069 0.5390012 0.3851156), wk = 0.0027027 k( 271) = ( 0.0775862 0.5438173 0.3752408), wk = 0.0027027 k( 272) = ( 0.0689655 0.5486334 0.3653660), wk = 0.0027027 k( 273) = ( 0.0603448 0.5534495 0.3554913), wk = 0.0027027 k( 274) = ( 0.0517241 0.5582655 0.3456165), wk = 0.0027027 k( 275) = ( 0.0431035 0.5630816 0.3357418), wk = 0.0027027 k( 276) = ( 0.0344828 0.5678977 0.3258670), wk = 0.0027027 k( 277) = ( 0.0258621 0.5727137 0.3159923), wk = 0.0027027 k( 278) = ( 0.0172414 0.5775298 0.3061175), wk = 0.0027027 k( 279) = ( 0.0086207 0.5823459 0.2962427), wk = 0.0027027 k( 280) = ( 0.0000000 0.5871620 0.2863680), wk = 0.0027027 k( 281) = ( 0.0000000 0.5871620 0.2863680), wk = 0.0027027 k( 282) = ( -0.0109744 0.5833872 0.2941076), wk = 0.0027027 k( 283) = ( -0.0219488 0.5796124 0.3018473), wk = 0.0027027 k( 284) = ( -0.0329232 0.5758377 0.3095870), wk = 0.0027027 k( 285) = ( -0.0438976 0.5720629 0.3173267), wk = 0.0027027 k( 286) = ( -0.0548720 0.5682882 0.3250664), wk = 0.0027027 k( 287) = ( -0.0658464 0.5645134 0.3328060), wk = 0.0027027 k( 288) = ( -0.0768208 0.5607386 0.3405457), wk = 0.0027027 k( 289) = ( -0.0877952 0.5569639 0.3482854), wk = 0.0027027 k( 290) = ( -0.0987696 0.5531891 0.3560251), wk = 0.0027027 k( 291) = ( -0.1097440 0.5494144 0.3637647), wk = 0.0027027 k( 292) = ( -0.1207184 0.5456396 0.3715044), wk = 0.0027027 k( 293) = ( -0.1316929 0.5418649 0.3792441), wk = 0.0027027 k( 294) = ( -0.1426672 0.5380901 0.3869837), wk = 0.0027027 k( 295) = ( -0.1536416 0.5343153 0.3947234), wk = 0.0027027 k( 296) = ( -0.1646161 0.5305406 0.4024631), wk = 0.0027027 k( 297) = ( -0.1755905 0.5267658 0.4102028), wk = 0.0027027 k( 298) = ( -0.1865649 0.5229910 0.4179425), wk = 0.0027027 k( 299) = ( -0.1975393 0.5192163 0.4256821), wk = 0.0027027 k( 300) = ( -0.2085137 0.5154415 0.4334218), wk = 0.0027027 k( 301) = ( -0.2194881 0.5116668 0.4411615), wk = 0.0027027 k( 302) = ( -0.2304625 0.5078920 0.4489012), wk = 0.0027027 k( 303) = ( -0.2414369 0.5041173 0.4566408), wk = 0.0027027 k( 304) = ( -0.2524113 0.5003425 0.4643805), wk = 0.0027027 k( 305) = ( -0.2633857 0.4965677 0.4721202), wk = 0.0027027 k( 306) = ( -0.2743601 0.4927930 0.4798599), wk = 0.0027027 k( 307) = ( -0.2853345 0.4890182 0.4875995), wk = 0.0027027 k( 308) = ( -0.2963089 0.4852435 0.4953392), wk = 0.0027027 k( 309) = ( -0.3072833 0.4814687 0.5030789), wk = 0.0027027 k( 310) = ( -0.3182577 0.4776939 0.5108186), wk = 0.0027027 k( 311) = ( -0.3292321 0.4739192 0.5185582), wk = 0.0027027 k( 312) = ( -0.3402065 0.4701444 0.5262979), wk = 0.0027027 k( 313) = ( -0.3511809 0.4663697 0.5340376), wk = 0.0027027 k( 314) = ( -0.3621553 0.4625949 0.5417773), wk = 0.0027027 k( 315) = ( -0.3731297 0.4588201 0.5495169), wk = 0.0027027 k( 316) = ( -0.3841041 0.4550454 0.5572566), wk = 0.0027027 k( 317) = ( -0.3950785 0.4512706 0.5649963), wk = 0.0027027 k( 318) = ( -0.4060529 0.4474959 0.5727360), wk = 0.0027027 k( 319) = ( -0.4060529 0.4474959 0.5727360), wk = 0.0027027 k( 320) = ( -0.4127634 0.4354842 0.5727360), wk = 0.0027027 k( 321) = ( -0.4194739 0.4234725 0.5727360), wk = 0.0027027 k( 322) = ( -0.4261845 0.4114608 0.5727360), wk = 0.0027027 k( 323) = ( -0.4328950 0.3994491 0.5727360), wk = 0.0027027 k( 324) = ( -0.4396055 0.3874374 0.5727360), wk = 0.0027027 k( 325) = ( -0.4463160 0.3754257 0.5727360), wk = 0.0027027 k( 326) = ( -0.4530265 0.3634140 0.5727360), wk = 0.0027027 k( 327) = ( -0.4597370 0.3514023 0.5727360), wk = 0.0027027 k( 328) = ( -0.4664475 0.3393906 0.5727360), wk = 0.0027027 k( 329) = ( -0.4731580 0.3273790 0.5727360), wk = 0.0027027 k( 330) = ( -0.4798685 0.3153673 0.5727360), wk = 0.0027027 k( 331) = ( -0.4865790 0.3033556 0.5727360), wk = 0.0027027 k( 332) = ( -0.4932895 0.2913439 0.5727360), wk = 0.0027027 k( 333) = ( -0.5000000 0.2793322 0.5727360), wk = 0.0027027 k( 334) = ( 0.0000000 0.0000000 0.5727360), wk = 0.0027027 k( 335) = ( 0.0069444 0.0124304 0.5727360), wk = 0.0027027 k( 336) = ( 0.0138889 0.0248609 0.5727360), wk = 0.0027027 k( 337) = ( 0.0208333 0.0372913 0.5727360), wk = 0.0027027 k( 338) = ( 0.0277778 0.0497218 0.5727360), wk = 0.0027027 k( 339) = ( 0.0347222 0.0621522 0.5727360), wk = 0.0027027 k( 340) = ( 0.0416667 0.0745827 0.5727360), wk = 0.0027027 k( 341) = ( 0.0486111 0.0870131 0.5727360), wk = 0.0027027 k( 342) = ( 0.0555556 0.0994435 0.5727360), wk = 0.0027027 k( 343) = ( 0.0625000 0.1118740 0.5727360), wk = 0.0027027 k( 344) = ( 0.0694444 0.1243044 0.5727360), wk = 0.0027027 k( 345) = ( 0.0763889 0.1367348 0.5727360), wk = 0.0027027 k( 346) = ( 0.0833333 0.1491653 0.5727360), wk = 0.0027027 k( 347) = ( 0.0902778 0.1615957 0.5727360), wk = 0.0027027 k( 348) = ( 0.0972222 0.1740262 0.5727360), wk = 0.0027027 k( 349) = ( 0.1041667 0.1864566 0.5727360), wk = 0.0027027 k( 350) = ( 0.1111111 0.1988870 0.5727360), wk = 0.0027027 k( 351) = ( 0.1180556 0.2113175 0.5727360), wk = 0.0027027 k( 352) = ( 0.1250000 0.2237479 0.5727360), wk = 0.0027027 k( 353) = ( 0.1319444 0.2361784 0.5727360), wk = 0.0027027 k( 354) = ( 0.1388889 0.2486088 0.5727360), wk = 0.0027027 k( 355) = ( 0.1458333 0.2610392 0.5727360), wk = 0.0027027 k( 356) = ( 0.1527778 0.2734697 0.5727360), wk = 0.0027027 k( 357) = ( 0.1597222 0.2859001 0.5727360), wk = 0.0027027 k( 358) = ( 0.1666667 0.2983306 0.5727360), wk = 0.0027027 k( 359) = ( 0.1736111 0.3107610 0.5727360), wk = 0.0027027 k( 360) = ( 0.1805556 0.3231915 0.5727360), wk = 0.0027027 k( 361) = ( 0.1875000 0.3356219 0.5727360), wk = 0.0027027 k( 362) = ( 0.1944444 0.3480523 0.5727360), wk = 0.0027027 k( 363) = ( 0.2013889 0.3604828 0.5727360), wk = 0.0027027 k( 364) = ( 0.2083333 0.3729132 0.5727360), wk = 0.0027027 k( 365) = ( 0.2152778 0.3853437 0.5727360), wk = 0.0027027 k( 366) = ( 0.2222222 0.3977741 0.5727360), wk = 0.0027027 k( 367) = ( 0.2291667 0.4102045 0.5727360), wk = 0.0027027 k( 368) = ( 0.2361111 0.4226350 0.5727360), wk = 0.0027027 k( 369) = ( 0.2430556 0.4350654 0.5727360), wk = 0.0027027 k( 370) = ( 0.2500000 0.4474959 0.5727360), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0027027 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0027027 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0027027 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0027027 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0027027 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0027027 k( 8) = ( 0.0000000 0.0000000 0.0853659), wk = 0.0027027 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0027027 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0027027 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0027027 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0027027 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0027027 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0027027 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0027027 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0027027 k( 17) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0027027 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0027027 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0027027 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0027027 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0027027 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0027027 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0027027 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0027027 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0027027 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0027027 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0027027 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0027027 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0027027 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0027027 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0027027 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0027027 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0027027 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0027027 k( 35) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0027027 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0027027 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0027027 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0027027 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0027027 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0027027 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0027027 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 44) = ( -0.0121951 0.0121951 0.5000000), wk = 0.0027027 k( 45) = ( -0.0243902 0.0243902 0.5000000), wk = 0.0027027 k( 46) = ( -0.0365854 0.0365854 0.5000000), wk = 0.0027027 k( 47) = ( -0.0487805 0.0487805 0.5000000), wk = 0.0027027 k( 48) = ( -0.0609756 0.0609756 0.5000000), wk = 0.0027027 k( 49) = ( -0.0731707 0.0731707 0.5000000), wk = 0.0027027 k( 50) = ( -0.0853658 0.0853658 0.5000000), wk = 0.0027027 k( 51) = ( -0.0975610 0.0975610 0.5000000), wk = 0.0027027 k( 52) = ( -0.1097561 0.1097561 0.5000000), wk = 0.0027027 k( 53) = ( -0.1219512 0.1219512 0.5000000), wk = 0.0027027 k( 54) = ( -0.1341463 0.1341463 0.5000000), wk = 0.0027027 k( 55) = ( -0.1463415 0.1463415 0.5000000), wk = 0.0027027 k( 56) = ( -0.1585366 0.1585366 0.5000000), wk = 0.0027027 k( 57) = ( -0.1707317 0.1707317 0.5000000), wk = 0.0027027 k( 58) = ( -0.1829268 0.1829268 0.5000000), wk = 0.0027027 k( 59) = ( -0.1951219 0.1951219 0.5000000), wk = 0.0027027 k( 60) = ( -0.2073171 0.2073171 0.5000000), wk = 0.0027027 k( 61) = ( -0.2195122 0.2195122 0.5000000), wk = 0.0027027 k( 62) = ( -0.2317073 0.2317073 0.5000000), wk = 0.0027027 k( 63) = ( -0.2439024 0.2439024 0.5000000), wk = 0.0027027 k( 64) = ( -0.2560976 0.2560976 0.5000000), wk = 0.0027027 k( 65) = ( -0.2682927 0.2682927 0.5000000), wk = 0.0027027 k( 66) = ( -0.2804878 0.2804878 0.5000000), wk = 0.0027027 k( 67) = ( -0.2926829 0.2926829 0.5000000), wk = 0.0027027 k( 68) = ( -0.3048781 0.3048781 0.5000000), wk = 0.0027027 k( 69) = ( -0.3170732 0.3170732 0.5000000), wk = 0.0027027 k( 70) = ( -0.3292683 0.3292683 0.5000000), wk = 0.0027027 k( 71) = ( -0.3414634 0.3414634 0.5000000), wk = 0.0027027 k( 72) = ( -0.3536585 0.3536585 0.5000000), wk = 0.0027027 k( 73) = ( -0.3658537 0.3658537 0.5000000), wk = 0.0027027 k( 74) = ( -0.3780488 0.3780488 0.5000000), wk = 0.0027027 k( 75) = ( -0.3902439 0.3902439 0.5000000), wk = 0.0027027 k( 76) = ( -0.4024390 0.4024390 0.5000000), wk = 0.0027027 k( 77) = ( -0.4146341 0.4146341 0.5000000), wk = 0.0027027 k( 78) = ( -0.4268293 0.4268293 0.5000000), wk = 0.0027027 k( 79) = ( -0.4390244 0.4390244 0.5000000), wk = 0.0027027 k( 80) = ( -0.4512195 0.4512195 0.5000000), wk = 0.0027027 k( 81) = ( -0.4634146 0.4634146 0.5000000), wk = 0.0027027 k( 82) = ( -0.4756098 0.4756098 0.5000000), wk = 0.0027027 k( 83) = ( -0.4878049 0.4878049 0.5000000), wk = 0.0027027 k( 84) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 85) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 86) = ( -0.4912281 0.4912281 0.4912281), wk = 0.0027027 k( 87) = ( -0.4824561 0.4824561 0.4824561), wk = 0.0027027 k( 88) = ( -0.4736842 0.4736842 0.4736842), wk = 0.0027027 k( 89) = ( -0.4649123 0.4649123 0.4649123), wk = 0.0027027 k( 90) = ( -0.4561404 0.4561404 0.4561404), wk = 0.0027027 k( 91) = ( -0.4473684 0.4473684 0.4473684), wk = 0.0027027 k( 92) = ( -0.4385965 0.4385965 0.4385965), wk = 0.0027027 k( 93) = ( -0.4298246 0.4298246 0.4298246), wk = 0.0027027 k( 94) = ( -0.4210526 0.4210526 0.4210526), wk = 0.0027027 k( 95) = ( -0.4122807 0.4122807 0.4122807), wk = 0.0027027 k( 96) = ( -0.4035088 0.4035088 0.4035088), wk = 0.0027027 k( 97) = ( -0.3947368 0.3947368 0.3947368), wk = 0.0027027 k( 98) = ( -0.3859649 0.3859649 0.3859649), wk = 0.0027027 k( 99) = ( -0.3771930 0.3771930 0.3771930), wk = 0.0027027 k( 100) = ( -0.3684211 0.3684211 0.3684211), wk = 0.0027027 k( 101) = ( -0.3596491 0.3596491 0.3596491), wk = 0.0027027 k( 102) = ( -0.3508772 0.3508772 0.3508772), wk = 0.0027027 k( 103) = ( -0.3421053 0.3421053 0.3421053), wk = 0.0027027 k( 104) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0027027 k( 105) = ( -0.3245614 0.3245614 0.3245614), wk = 0.0027027 k( 106) = ( -0.3157895 0.3157895 0.3157895), wk = 0.0027027 k( 107) = ( -0.3070175 0.3070175 0.3070175), wk = 0.0027027 k( 108) = ( -0.2982456 0.2982456 0.2982456), wk = 0.0027027 k( 109) = ( -0.2894737 0.2894737 0.2894737), wk = 0.0027027 k( 110) = ( -0.2807018 0.2807018 0.2807018), wk = 0.0027027 k( 111) = ( -0.2719298 0.2719298 0.2719298), wk = 0.0027027 k( 112) = ( -0.2631579 0.2631579 0.2631579), wk = 0.0027027 k( 113) = ( -0.2543860 0.2543860 0.2543860), wk = 0.0027027 k( 114) = ( -0.2456140 0.2456140 0.2456140), wk = 0.0027027 k( 115) = ( -0.2368421 0.2368421 0.2368421), wk = 0.0027027 k( 116) = ( -0.2280702 0.2280702 0.2280702), wk = 0.0027027 k( 117) = ( -0.2192983 0.2192983 0.2192983), wk = 0.0027027 k( 118) = ( -0.2105263 0.2105263 0.2105263), wk = 0.0027027 k( 119) = ( -0.2017544 0.2017544 0.2017544), wk = 0.0027027 k( 120) = ( -0.1929825 0.1929825 0.1929825), wk = 0.0027027 k( 121) = ( -0.1842105 0.1842105 0.1842105), wk = 0.0027027 k( 122) = ( -0.1754386 0.1754386 0.1754386), wk = 0.0027027 k( 123) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0027027 k( 124) = ( -0.1578947 0.1578947 0.1578947), wk = 0.0027027 k( 125) = ( -0.1491228 0.1491228 0.1491228), wk = 0.0027027 k( 126) = ( -0.1403509 0.1403509 0.1403509), wk = 0.0027027 k( 127) = ( -0.1315790 0.1315790 0.1315790), wk = 0.0027027 k( 128) = ( -0.1228070 0.1228070 0.1228070), wk = 0.0027027 k( 129) = ( -0.1140351 0.1140351 0.1140351), wk = 0.0027027 k( 130) = ( -0.1052632 0.1052632 0.1052632), wk = 0.0027027 k( 131) = ( -0.0964912 0.0964912 0.0964912), wk = 0.0027027 k( 132) = ( -0.0877193 0.0877193 0.0877193), wk = 0.0027027 k( 133) = ( -0.0789474 0.0789474 0.0789474), wk = 0.0027027 k( 134) = ( -0.0701754 0.0701754 0.0701754), wk = 0.0027027 k( 135) = ( -0.0614035 0.0614035 0.0614035), wk = 0.0027027 k( 136) = ( -0.0526316 0.0526316 0.0526316), wk = 0.0027027 k( 137) = ( -0.0438597 0.0438597 0.0438597), wk = 0.0027027 k( 138) = ( -0.0350877 0.0350877 0.0350877), wk = 0.0027027 k( 139) = ( -0.0263158 0.0263158 0.0263158), wk = 0.0027027 k( 140) = ( -0.0175439 0.0175439 0.0175439), wk = 0.0027027 k( 141) = ( -0.0087719 0.0087719 0.0087719), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 144) = ( 0.0068823 0.0068822 -0.0068822), wk = 0.0027027 k( 145) = ( 0.0137645 0.0137645 -0.0137645), wk = 0.0027027 k( 146) = ( 0.0206468 0.0206468 -0.0206468), wk = 0.0027027 k( 147) = ( 0.0275290 0.0275290 -0.0275290), wk = 0.0027027 k( 148) = ( 0.0344113 0.0344113 -0.0344113), wk = 0.0027027 k( 149) = ( 0.0412935 0.0412935 -0.0412935), wk = 0.0027027 k( 150) = ( 0.0481758 0.0481758 -0.0481758), wk = 0.0027027 k( 151) = ( 0.0550580 0.0550580 -0.0550580), wk = 0.0027027 k( 152) = ( 0.0619403 0.0619403 -0.0619403), wk = 0.0027027 k( 153) = ( 0.0688225 0.0688225 -0.0688225), wk = 0.0027027 k( 154) = ( 0.0757048 0.0757048 -0.0757048), wk = 0.0027027 k( 155) = ( 0.0825870 0.0825870 -0.0825870), wk = 0.0027027 k( 156) = ( 0.0894693 0.0894693 -0.0894693), wk = 0.0027027 k( 157) = ( 0.0963515 0.0963515 -0.0963515), wk = 0.0027027 k( 158) = ( 0.1032338 0.1032338 -0.1032338), wk = 0.0027027 k( 159) = ( 0.1101160 0.1101160 -0.1101160), wk = 0.0027027 k( 160) = ( 0.1169983 0.1169983 -0.1169983), wk = 0.0027027 k( 161) = ( 0.1238806 0.1238806 -0.1238806), wk = 0.0027027 k( 162) = ( 0.1307628 0.1307628 -0.1307628), wk = 0.0027027 k( 163) = ( 0.1376451 0.1376451 -0.1376451), wk = 0.0027027 k( 164) = ( 0.1445273 0.1445273 -0.1445273), wk = 0.0027027 k( 165) = ( 0.1514096 0.1514096 -0.1514096), wk = 0.0027027 k( 166) = ( 0.1582918 0.1582918 -0.1582918), wk = 0.0027027 k( 167) = ( 0.1651741 0.1651741 -0.1651741), wk = 0.0027027 k( 168) = ( 0.1720563 0.1720563 -0.1720563), wk = 0.0027027 k( 169) = ( 0.1789386 0.1789386 -0.1789386), wk = 0.0027027 k( 170) = ( 0.1858208 0.1858208 -0.1858208), wk = 0.0027027 k( 171) = ( 0.1927031 0.1927031 -0.1927031), wk = 0.0027027 k( 172) = ( 0.1995853 0.1995853 -0.1995854), wk = 0.0027027 k( 173) = ( 0.2064676 0.2064676 -0.2064676), wk = 0.0027027 k( 174) = ( 0.2133499 0.2133498 -0.2133499), wk = 0.0027027 k( 175) = ( 0.2202321 0.2202321 -0.2202321), wk = 0.0027027 k( 176) = ( 0.2271144 0.2271144 -0.2271144), wk = 0.0027027 k( 177) = ( 0.2339966 0.2339966 -0.2339966), wk = 0.0027027 k( 178) = ( 0.2408789 0.2408789 -0.2408789), wk = 0.0027027 k( 179) = ( 0.2477611 0.2477611 -0.2477611), wk = 0.0027027 k( 180) = ( 0.2546434 0.2546434 -0.2546434), wk = 0.0027027 k( 181) = ( 0.2615256 0.2615256 -0.2615256), wk = 0.0027027 k( 182) = ( 0.2684079 0.2684079 -0.2684079), wk = 0.0027027 k( 183) = ( 0.2752901 0.2752901 -0.2752901), wk = 0.0027027 k( 184) = ( 0.2821724 0.2821724 -0.2821724), wk = 0.0027027 k( 185) = ( 0.2890546 0.2890546 -0.2890546), wk = 0.0027027 k( 186) = ( 0.2959369 0.2959369 -0.2959369), wk = 0.0027027 k( 187) = ( 0.3028191 0.3028192 -0.3028192), wk = 0.0027027 k( 188) = ( 0.3097014 0.3097014 -0.3097014), wk = 0.0027027 k( 189) = ( 0.3165836 0.3165836 -0.3165836), wk = 0.0027027 k( 190) = ( 0.3234659 0.3234659 -0.3234659), wk = 0.0027027 k( 191) = ( 0.3303482 0.3303482 -0.3303482), wk = 0.0027027 k( 192) = ( 0.3372304 0.3372304 -0.3372304), wk = 0.0027027 k( 193) = ( 0.3441127 0.3441127 -0.3441127), wk = 0.0027027 k( 194) = ( 0.3509949 0.3509949 -0.3509949), wk = 0.0027027 k( 195) = ( 0.3578772 0.3578772 -0.3578772), wk = 0.0027027 k( 196) = ( 0.3647594 0.3647594 -0.3647594), wk = 0.0027027 k( 197) = ( 0.3716417 0.3716417 -0.3716417), wk = 0.0027027 k( 198) = ( 0.3785239 0.3785239 -0.3785239), wk = 0.0027027 k( 199) = ( 0.3854062 0.3854062 -0.3854062), wk = 0.0027027 k( 200) = ( 0.3922884 0.3922884 -0.3922884), wk = 0.0027027 k( 201) = ( 0.3991707 0.3991707 -0.3991707), wk = 0.0027027 k( 202) = ( 0.4060529 0.4060529 -0.4060529), wk = 0.0027027 k( 203) = ( 0.4060529 0.4060529 -0.4060529), wk = 0.0027027 k( 204) = ( 0.4027327 0.4027327 -0.3920944), wk = 0.0027027 k( 205) = ( 0.3994124 0.3994124 -0.3781358), wk = 0.0027027 k( 206) = ( 0.3960921 0.3960921 -0.3641772), wk = 0.0027027 k( 207) = ( 0.3927718 0.3927718 -0.3502187), wk = 0.0027027 k( 208) = ( 0.3894516 0.3894516 -0.3362601), wk = 0.0027027 k( 209) = ( 0.3861313 0.3861313 -0.3223015), wk = 0.0027027 k( 210) = ( 0.3828110 0.3828110 -0.3083429), wk = 0.0027027 k( 211) = ( 0.3794907 0.3794907 -0.2943844), wk = 0.0027027 k( 212) = ( 0.3761705 0.3761705 -0.2804258), wk = 0.0027027 k( 213) = ( 0.3728502 0.3728502 -0.2664672), wk = 0.0027027 k( 214) = ( 0.3695299 0.3695299 -0.2525086), wk = 0.0027027 k( 215) = ( 0.3662096 0.3662096 -0.2385501), wk = 0.0027027 k( 216) = ( 0.3628894 0.3628894 -0.2245915), wk = 0.0027027 k( 217) = ( 0.3595691 0.3595691 -0.2106329), wk = 0.0027027 k( 218) = ( 0.3562488 0.3562488 -0.1966744), wk = 0.0027027 k( 219) = ( 0.3529285 0.3529285 -0.1827158), wk = 0.0027027 k( 220) = ( 0.3496083 0.3496083 -0.1687572), wk = 0.0027027 k( 221) = ( 0.3462880 0.3462880 -0.1547986), wk = 0.0027027 k( 222) = ( 0.3429677 0.3429677 -0.1408400), wk = 0.0027027 k( 223) = ( 0.3396474 0.3396474 -0.1268815), wk = 0.0027027 k( 224) = ( 0.3363272 0.3363272 -0.1129229), wk = 0.0027027 k( 225) = ( 0.3330069 0.3330069 -0.0989643), wk = 0.0027027 k( 226) = ( 0.3296866 0.3296866 -0.0850058), wk = 0.0027027 k( 227) = ( 0.3263663 0.3263663 -0.0710472), wk = 0.0027027 k( 228) = ( 0.3230461 0.3230461 -0.0570886), wk = 0.0027027 k( 229) = ( 0.3197258 0.3197258 -0.0431300), wk = 0.0027027 k( 230) = ( 0.3164055 0.3164055 -0.0291715), wk = 0.0027027 k( 231) = ( 0.3130852 0.3130852 -0.0152129), wk = 0.0027027 k( 232) = ( 0.3097650 0.3097650 -0.0012543), wk = 0.0027027 k( 233) = ( 0.3064447 0.3064447 0.0127042), wk = 0.0027027 k( 234) = ( 0.3031244 0.3031244 0.0266628), wk = 0.0027027 k( 235) = ( 0.2998041 0.2998041 0.0406214), wk = 0.0027027 k( 236) = ( 0.2964839 0.2964839 0.0545800), wk = 0.0027027 k( 237) = ( 0.2931636 0.2931636 0.0685386), wk = 0.0027027 k( 238) = ( 0.2898433 0.2898433 0.0824971), wk = 0.0027027 k( 239) = ( 0.2865230 0.2865230 0.0964557), wk = 0.0027027 k( 240) = ( 0.2832028 0.2832028 0.1104143), wk = 0.0027027 k( 241) = ( 0.2798825 0.2798825 0.1243728), wk = 0.0027027 k( 242) = ( 0.2765622 0.2765622 0.1383314), wk = 0.0027027 k( 243) = ( 0.2732419 0.2732419 0.1522900), wk = 0.0027027 k( 244) = ( 0.2699217 0.2699217 0.1662486), wk = 0.0027027 k( 245) = ( 0.2666014 0.2666014 0.1802071), wk = 0.0027027 k( 246) = ( 0.2632811 0.2632811 0.1941657), wk = 0.0027027 k( 247) = ( 0.2599608 0.2599608 0.2081243), wk = 0.0027027 k( 248) = ( 0.2566406 0.2566406 0.2220828), wk = 0.0027027 k( 249) = ( 0.2533203 0.2533203 0.2360414), wk = 0.0027027 k( 250) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 k( 251) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 k( 252) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0027027 k( 253) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0027027 k( 254) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0027027 k( 255) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0027027 k( 256) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0027027 k( 257) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0027027 k( 258) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0027027 k( 259) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0027027 k( 260) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0027027 k( 261) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0027027 k( 262) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0027027 k( 263) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0027027 k( 264) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0027027 k( 265) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0027027 k( 266) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0027027 k( 267) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0027027 k( 268) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0027027 k( 269) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0027027 k( 270) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0027027 k( 271) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0027027 k( 272) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0027027 k( 273) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0027027 k( 274) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0027027 k( 275) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0027027 k( 276) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0027027 k( 277) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0027027 k( 278) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0027027 k( 279) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0027027 k( 280) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 281) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 282) = ( -0.0109744 0.5025391 0.0109744), wk = 0.0027027 k( 283) = ( -0.0219488 0.5050782 0.0219488), wk = 0.0027027 k( 284) = ( -0.0329232 0.5076173 0.0329232), wk = 0.0027027 k( 285) = ( -0.0438976 0.5101564 0.0438976), wk = 0.0027027 k( 286) = ( -0.0548720 0.5126955 0.0548720), wk = 0.0027027 k( 287) = ( -0.0658464 0.5152347 0.0658464), wk = 0.0027027 k( 288) = ( -0.0768208 0.5177738 0.0768208), wk = 0.0027027 k( 289) = ( -0.0877952 0.5203129 0.0877952), wk = 0.0027027 k( 290) = ( -0.0987696 0.5228520 0.0987696), wk = 0.0027027 k( 291) = ( -0.1097440 0.5253911 0.1097440), wk = 0.0027027 k( 292) = ( -0.1207184 0.5279302 0.1207184), wk = 0.0027027 k( 293) = ( -0.1316929 0.5304693 0.1316929), wk = 0.0027027 k( 294) = ( -0.1426672 0.5330084 0.1426672), wk = 0.0027027 k( 295) = ( -0.1536416 0.5355475 0.1536416), wk = 0.0027027 k( 296) = ( -0.1646161 0.5380866 0.1646161), wk = 0.0027027 k( 297) = ( -0.1755905 0.5406257 0.1755905), wk = 0.0027027 k( 298) = ( -0.1865649 0.5431649 0.1865649), wk = 0.0027027 k( 299) = ( -0.1975393 0.5457040 0.1975393), wk = 0.0027027 k( 300) = ( -0.2085137 0.5482431 0.2085137), wk = 0.0027027 k( 301) = ( -0.2194881 0.5507822 0.2194881), wk = 0.0027027 k( 302) = ( -0.2304625 0.5533213 0.2304625), wk = 0.0027027 k( 303) = ( -0.2414369 0.5558604 0.2414369), wk = 0.0027027 k( 304) = ( -0.2524113 0.5583995 0.2524113), wk = 0.0027027 k( 305) = ( -0.2633857 0.5609386 0.2633857), wk = 0.0027027 k( 306) = ( -0.2743601 0.5634777 0.2743601), wk = 0.0027027 k( 307) = ( -0.2853345 0.5660169 0.2853345), wk = 0.0027027 k( 308) = ( -0.2963089 0.5685560 0.2963089), wk = 0.0027027 k( 309) = ( -0.3072833 0.5710951 0.3072833), wk = 0.0027027 k( 310) = ( -0.3182577 0.5736342 0.3182577), wk = 0.0027027 k( 311) = ( -0.3292321 0.5761733 0.3292321), wk = 0.0027027 k( 312) = ( -0.3402065 0.5787124 0.3402065), wk = 0.0027027 k( 313) = ( -0.3511809 0.5812515 0.3511809), wk = 0.0027027 k( 314) = ( -0.3621553 0.5837906 0.3621553), wk = 0.0027027 k( 315) = ( -0.3731297 0.5863297 0.3731297), wk = 0.0027027 k( 316) = ( -0.3841041 0.5888688 0.3841041), wk = 0.0027027 k( 317) = ( -0.3950785 0.5914080 0.3950785), wk = 0.0027027 k( 318) = ( -0.4060529 0.5939471 0.4060529), wk = 0.0027027 k( 319) = ( -0.4060529 0.5939471 0.4060529), wk = 0.0027027 k( 320) = ( -0.4127634 0.5872365 0.4127634), wk = 0.0027027 k( 321) = ( -0.4194739 0.5805261 0.4194740), wk = 0.0027027 k( 322) = ( -0.4261845 0.5738155 0.4261845), wk = 0.0027027 k( 323) = ( -0.4328950 0.5671050 0.4328950), wk = 0.0027027 k( 324) = ( -0.4396055 0.5603945 0.4396055), wk = 0.0027027 k( 325) = ( -0.4463160 0.5536840 0.4463160), wk = 0.0027027 k( 326) = ( -0.4530265 0.5469735 0.4530265), wk = 0.0027027 k( 327) = ( -0.4597370 0.5402630 0.4597370), wk = 0.0027027 k( 328) = ( -0.4664475 0.5335525 0.4664475), wk = 0.0027027 k( 329) = ( -0.4731580 0.5268420 0.4731580), wk = 0.0027027 k( 330) = ( -0.4798685 0.5201315 0.4798685), wk = 0.0027027 k( 331) = ( -0.4865790 0.5134210 0.4865790), wk = 0.0027027 k( 332) = ( -0.4932895 0.5067105 0.4932895), wk = 0.0027027 k( 333) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 335) = ( 0.0069444 0.0069444 0.4930556), wk = 0.0027027 k( 336) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0027027 k( 337) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0027027 k( 338) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0027027 k( 339) = ( 0.0347222 0.0347222 0.4652778), wk = 0.0027027 k( 340) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0027027 k( 341) = ( 0.0486111 0.0486111 0.4513889), wk = 0.0027027 k( 342) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0027027 k( 343) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027027 k( 344) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0027027 k( 345) = ( 0.0763889 0.0763889 0.4236111), wk = 0.0027027 k( 346) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0027027 k( 347) = ( 0.0902778 0.0902778 0.4097222), wk = 0.0027027 k( 348) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0027027 k( 349) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0027027 k( 350) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0027027 k( 351) = ( 0.1180556 0.1180556 0.3819444), wk = 0.0027027 k( 352) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027027 k( 353) = ( 0.1319444 0.1319444 0.3680556), wk = 0.0027027 k( 354) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0027027 k( 355) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0027027 k( 356) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0027027 k( 357) = ( 0.1597222 0.1597222 0.3402778), wk = 0.0027027 k( 358) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0027027 k( 359) = ( 0.1736111 0.1736111 0.3263889), wk = 0.0027027 k( 360) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0027027 k( 361) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027027 k( 362) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0027027 k( 363) = ( 0.2013889 0.2013889 0.2986111), wk = 0.0027027 k( 364) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0027027 k( 365) = ( 0.2152778 0.2152778 0.2847222), wk = 0.0027027 k( 366) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0027027 k( 367) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0027027 k( 368) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0027027 k( 369) = ( 0.2430556 0.2430556 0.2569444), wk = 0.0027027 k( 370) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 Dense grid: 43507 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 306, 38) NL pseudopotentials 0.16 Mb ( 153, 68) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1208) G-vector shells 0.00 Mb ( 555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 306, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.08 Mb ( 68, 2, 38) The potential is recalculated from file : ./Mn.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.3 secs Computing kpt #: 23 total cpu time spent up to now is 6.6 secs Computing kpt #: 24 total cpu time spent up to now is 6.8 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.4 secs Computing kpt #: 27 total cpu time spent up to now is 7.7 secs Computing kpt #: 28 total cpu time spent up to now is 8.0 secs Computing kpt #: 29 total cpu time spent up to now is 8.3 secs Computing kpt #: 30 total cpu time spent up to now is 8.6 secs Computing kpt #: 31 total cpu time spent up to now is 9.0 secs Computing kpt #: 32 total cpu time spent up to now is 9.4 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.4 secs Computing kpt #: 35 total cpu time spent up to 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total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.3 secs Computing kpt #: 53 total cpu time spent up to now is 17.8 secs Computing kpt #: 54 total cpu time spent up to now is 18.3 secs Computing kpt #: 55 total cpu time spent up to now is 18.8 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.7 secs Computing kpt #: 58 total cpu time spent up to now is 20.1 secs Computing kpt #: 59 total cpu time spent up to now is 20.6 secs Computing kpt #: 60 total cpu time spent up to now is 21.1 secs Computing kpt #: 61 total cpu time spent up to now is 21.7 secs Computing kpt #: 62 total cpu time spent up to now is 22.1 secs Computing kpt #: 63 total cpu time spent up to now is 22.6 secs Computing kpt #: 64 total cpu time spent up to now is 23.1 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.0 secs Computing kpt #: 67 total cpu time spent up to now is 24.4 secs Computing kpt #: 68 total cpu time spent up to now is 24.9 secs Computing kpt #: 69 total cpu time spent up to now is 25.4 secs Computing kpt #: 70 total cpu time spent up to now is 25.9 secs Computing kpt #: 71 total cpu time spent up to now is 26.4 secs Computing kpt #: 72 total cpu time spent up to now is 26.9 secs Computing kpt #: 73 total cpu time spent up to now is 27.4 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.1 secs Computing kpt #: 76 total cpu time spent up to now is 28.6 secs Computing kpt #: 77 total cpu time spent up to now is 28.9 secs Computing kpt #: 78 total cpu time spent up to now is 29.3 secs Computing kpt #: 79 total cpu time spent up to now is 29.6 secs Computing kpt #: 80 total cpu time spent up to now is 30.0 secs Computing kpt #: 81 total cpu time spent up to now is 30.3 secs Computing kpt #: 82 total cpu time spent up to now is 30.6 secs Computing kpt #: 83 total cpu time spent up to now is 31.0 secs Computing kpt #: 84 total cpu time spent up to now is 31.3 secs Computing kpt #: 85 total cpu time spent up to now is 31.6 secs Computing kpt #: 86 total cpu time spent up to now is 31.9 secs Computing kpt #: 87 total cpu time spent up to now is 32.2 secs Computing kpt #: 88 total cpu time spent up to now is 32.5 secs Computing kpt #: 89 total cpu time spent up to now is 32.8 secs Computing kpt #: 90 total cpu time spent up to now is 33.1 secs Computing kpt #: 91 total cpu time spent up to now is 33.4 secs Computing kpt #: 92 total cpu time spent up to now is 33.7 secs Computing kpt #: 93 total cpu time spent up to now is 34.0 secs Computing kpt #: 94 total cpu time spent up to now is 34.3 secs Computing kpt #: 95 total cpu time spent up to now is 34.6 secs Computing kpt #: 96 total cpu time spent up to now is 34.9 secs Computing kpt #: 97 total cpu time spent up to now is 35.2 secs Computing kpt #: 98 total cpu time spent up to now is 35.4 secs Computing kpt #: 99 total cpu time spent up to now is 35.7 secs Computing kpt #: 100 total cpu time spent up to now is 36.0 secs Computing kpt #: 101 total cpu time spent up to now is 36.3 secs Computing kpt #: 102 total cpu time spent up to now is 36.6 secs Computing kpt #: 103 total cpu time spent up to now is 36.8 secs Computing kpt #: 104 total cpu time spent up to now is 37.1 secs Computing kpt #: 105 total cpu time spent up to now is 37.3 secs Computing kpt #: 106 total cpu time spent up to now is 37.6 secs Computing kpt #: 107 total cpu time spent up to now is 37.9 secs Computing kpt #: 108 total cpu time spent up to now is 38.1 secs Computing kpt #: 109 total cpu time spent up to now is 38.4 secs Computing kpt #: 110 total cpu time spent up to now is 38.6 secs Computing kpt #: 111 total cpu time spent up to now is 38.9 secs Computing kpt #: 112 total cpu time spent up to now is 39.2 secs Computing kpt #: 113 total cpu time spent up to now is 39.4 secs Computing kpt #: 114 total cpu time spent up to now is 39.7 secs Computing kpt #: 115 total cpu time spent up to now is 39.9 secs Computing kpt #: 116 total cpu time spent up to now is 40.2 secs Computing kpt #: 117 total cpu time spent up to now is 40.5 secs Computing kpt #: 118 total cpu time spent up to now is 40.7 secs Computing kpt #: 119 total cpu time spent up to now is 41.0 secs Computing kpt #: 120 total cpu time spent up to now is 41.2 secs Computing kpt #: 121 total cpu time spent up to now is 41.5 secs Computing kpt #: 122 total cpu time spent up to now is 41.7 secs Computing kpt #: 123 total cpu time spent up to now is 42.0 secs Computing kpt #: 124 total cpu time spent up to now is 42.2 secs Computing kpt #: 125 total cpu time spent up to now is 42.5 secs Computing kpt #: 126 total cpu time spent up to now is 42.7 secs Computing kpt #: 127 total cpu time spent up to now is 43.0 secs Computing kpt #: 128 total cpu time spent up to now is 43.2 secs Computing kpt #: 129 total cpu time spent up to now is 43.5 secs Computing kpt #: 130 total cpu time spent up to now is 43.7 secs Computing kpt #: 131 total cpu time spent up to now is 44.0 secs Computing kpt #: 132 total cpu time spent up to now is 44.2 secs Computing kpt #: 133 total cpu time spent up to now is 44.5 secs Computing kpt #: 134 total cpu time spent up to now is 44.7 secs Computing kpt #: 135 total cpu time spent up to now is 44.9 secs Computing kpt #: 136 total cpu time spent up to now is 45.2 secs Computing kpt #: 137 total cpu time spent up to now is 45.4 secs Computing kpt #: 138 total cpu time spent up to now is 45.7 secs Computing kpt #: 139 total cpu time spent up to now is 45.9 secs Computing kpt #: 140 total cpu time spent up to now is 46.2 secs Computing kpt #: 141 total cpu time spent up to now is 46.4 secs Computing kpt #: 142 total cpu time spent up to now is 46.6 secs Computing kpt #: 143 total cpu time spent up to now is 46.9 secs Computing kpt #: 144 total cpu time spent up to now is 47.1 secs Computing kpt #: 145 total cpu time spent up to now is 47.4 secs Computing kpt #: 146 total cpu time spent up to now is 47.6 secs Computing kpt #: 147 total cpu time spent up to now is 47.8 secs Computing kpt #: 148 total cpu time spent up to now is 48.1 secs Computing kpt #: 149 total cpu time spent up to now is 48.3 secs Computing kpt #: 150 total cpu time spent up to now is 48.6 secs Computing kpt #: 151 total cpu time spent up to now is 48.8 secs Computing kpt #: 152 total cpu time spent up to now is 49.1 secs Computing kpt #: 153 total cpu time spent up to now is 49.3 secs Computing kpt #: 154 total cpu time spent up to now is 49.5 secs Computing kpt #: 155 total cpu time spent up to now is 49.8 secs Computing kpt #: 156 total cpu time spent up to now is 50.0 secs Computing kpt #: 157 total cpu time spent up to now is 50.3 secs Computing kpt #: 158 total cpu time spent up to now is 50.5 secs Computing kpt #: 159 total cpu time spent up 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Computing kpt #: 175 total cpu time spent up to now is 54.6 secs Computing kpt #: 176 total cpu time spent up to now is 54.9 secs Computing kpt #: 177 total cpu time spent up to now is 55.1 secs Computing kpt #: 178 total cpu time spent up to now is 55.4 secs Computing kpt #: 179 total cpu time spent up to now is 55.6 secs Computing kpt #: 180 total cpu time spent up to now is 55.9 secs Computing kpt #: 181 total cpu time spent up to now is 56.1 secs Computing kpt #: 182 total cpu time spent up to now is 56.4 secs Computing kpt #: 183 total cpu time spent up to now is 56.6 secs Computing kpt #: 184 total cpu time spent up to now is 56.9 secs Computing kpt #: 185 total cpu time spent up to now is 57.1 secs Computing kpt #: 186 total cpu time spent up to now is 57.4 secs Computing kpt #: 187 total cpu time spent up to now is 57.7 secs Computing kpt #: 188 total cpu time spent up to now is 57.9 secs Computing kpt #: 189 total cpu time spent up to now is 58.2 secs Computing kpt #: 190 total cpu time spent up to now is 58.5 secs Computing kpt #: 191 total cpu time spent up to now is 58.7 secs Computing kpt #: 192 total cpu time spent up to now is 59.0 secs Computing kpt #: 193 total cpu time spent up to now is 59.3 secs Computing kpt #: 194 total cpu time spent up to now is 59.6 secs Computing kpt #: 195 total cpu time spent up to now is 59.8 secs Computing kpt #: 196 total cpu time spent up to now is 60.1 secs Computing kpt #: 197 total cpu time spent up to now is 60.4 secs Computing kpt #: 198 total cpu time spent up to now is 60.7 secs Computing kpt #: 199 total cpu time spent up to now is 61.0 secs Computing kpt #: 200 total cpu time spent up to now is 61.3 secs Computing kpt #: 201 total cpu time spent up to now is 61.6 secs Computing kpt #: 202 total cpu time spent up to now is 62.0 secs Computing kpt #: 203 total cpu time spent up to now is 62.4 secs Computing kpt #: 204 total cpu time spent up to now is 62.7 secs Computing kpt #: 205 total cpu time spent up to now is 63.1 secs Computing kpt #: 206 total cpu time spent up to now is 63.4 secs Computing kpt #: 207 total cpu time spent up to now is 63.7 secs Computing kpt #: 208 total cpu time spent up to now is 64.0 secs Computing kpt #: 209 total cpu time spent up to now is 64.4 secs Computing kpt #: 210 total cpu time spent up to now is 64.7 secs Computing kpt #: 211 total cpu time spent up to now is 65.0 secs Computing kpt #: 212 total cpu time spent up to now is 65.3 secs Computing kpt #: 213 total cpu time spent up to now is 65.7 secs Computing kpt #: 214 total cpu time spent up to now is 66.0 secs Computing kpt #: 215 total cpu time spent up to now is 66.3 secs Computing kpt #: 216 total cpu time spent up to now is 66.6 secs Computing kpt #: 217 total cpu time spent up to now is 67.0 secs Computing kpt #: 218 total cpu time spent up to now is 67.3 secs Computing kpt #: 219 total cpu time spent up to now is 67.6 secs Computing kpt #: 220 total cpu time spent up to now is 68.0 secs Computing kpt #: 221 total cpu time spent up to now is 68.3 secs Computing kpt #: 222 total cpu time spent up to now is 68.6 secs Computing kpt #: 223 total cpu time spent up to now is 68.9 secs Computing kpt #: 224 total cpu time spent up to now is 69.3 secs Computing kpt #: 225 total cpu time spent up to now is 69.6 secs Computing kpt #: 226 total cpu time spent up to now is 69.9 secs Computing kpt #: 227 total cpu time spent up to now is 70.2 secs Computing kpt #: 228 total cpu time spent up to now is 70.6 secs Computing kpt #: 229 total cpu time spent up to now is 70.9 secs Computing kpt #: 230 total cpu time spent up to now is 71.2 secs Computing kpt #: 231 total cpu time spent up to now is 71.6 secs Computing kpt #: 232 total cpu time spent up to now is 71.9 secs Computing kpt #: 233 total cpu time spent up to now is 72.2 secs Computing kpt #: 234 total cpu time spent up to now is 72.5 secs Computing kpt #: 235 total cpu time spent up to now is 72.9 secs Computing kpt #: 236 total cpu time spent up to now is 73.2 secs Computing kpt #: 237 total cpu time spent up to now is 73.5 secs Computing kpt #: 238 total cpu time spent up to now is 73.8 secs Computing kpt #: 239 total cpu time spent up to now is 74.2 secs Computing kpt #: 240 total cpu time spent up to now is 74.5 secs Computing kpt #: 241 total cpu time spent up to now is 74.8 secs Computing kpt #: 242 total cpu time spent up to now is 75.1 secs Computing kpt #: 243 total cpu time spent up to now is 75.5 secs Computing kpt #: 244 total cpu time spent up to now is 75.8 secs Computing kpt #: 245 total cpu time spent up to now is 76.1 secs Computing kpt #: 246 total cpu time spent up to now is 76.4 secs Computing kpt #: 247 total cpu time spent up to now is 76.8 secs Computing kpt #: 248 total cpu time spent up to now is 77.1 secs Computing kpt #: 249 total cpu time spent up to now is 77.4 secs Computing kpt #: 250 total cpu time spent up to now is 77.8 secs Computing kpt #: 251 total cpu time spent up to now is 78.1 secs Computing kpt #: 252 total cpu time spent up to now is 78.4 secs Computing kpt #: 253 total cpu time spent up to now is 78.8 secs Computing kpt #: 254 total cpu time spent up to now is 79.1 secs Computing kpt #: 255 total cpu time spent up to now is 79.4 secs Computing kpt #: 256 total cpu time spent up to now is 79.7 secs Computing kpt #: 257 total cpu time spent up to now is 80.0 secs Computing kpt #: 258 total cpu time spent up to now is 80.4 secs Computing kpt #: 259 total cpu time spent up to now is 80.7 secs Computing kpt #: 260 total cpu time spent up to now is 81.0 secs Computing kpt #: 261 total cpu time spent up to now is 81.4 secs Computing kpt #: 262 total cpu time spent up to now is 81.7 secs Computing kpt #: 263 total cpu time spent up to now is 82.0 secs Computing kpt #: 264 total cpu time spent up to now is 82.4 secs Computing kpt #: 265 total cpu time spent up to now is 82.7 secs Computing kpt #: 266 total cpu time spent up to now is 83.0 secs Computing kpt #: 267 total cpu time spent up to now is 83.4 secs Computing kpt #: 268 total cpu time spent up to now is 83.7 secs Computing kpt #: 269 total cpu time spent up to now is 84.1 secs Computing kpt #: 270 total cpu time spent up to now is 84.4 secs Computing kpt #: 271 total cpu time spent up to now is 84.8 secs Computing kpt #: 272 total cpu time spent up to now is 85.1 secs Computing kpt #: 273 total cpu time spent up to now is 85.5 secs Computing kpt #: 274 total cpu time spent up to now is 85.8 secs Computing kpt #: 275 total cpu time spent up to now is 86.1 secs Computing kpt #: 276 total cpu time spent up to now is 86.5 secs Computing kpt #: 277 total cpu time spent up to now is 86.8 secs Computing kpt #: 278 total cpu time spent up to now is 87.2 secs Computing kpt #: 279 total cpu time spent up to now is 87.5 secs Computing kpt #: 280 total cpu time spent up to now is 87.8 secs Computing kpt #: 281 total cpu time spent up to now is 88.2 secs Computing kpt #: 282 total cpu time spent up to now is 88.5 secs Computing kpt #: 283 total cpu time spent up to now is 88.9 secs Computing kpt #: 284 total cpu time spent up to now is 89.3 secs Computing kpt #: 285 total cpu time spent up to now is 89.8 secs Computing kpt #: 286 total cpu time spent up to now is 90.2 secs Computing kpt #: 287 total cpu time spent up to now is 90.6 secs Computing kpt #: 288 total cpu time spent up to now is 91.1 secs Computing kpt #: 289 total cpu time spent up to now is 91.5 secs Computing kpt #: 290 total cpu time spent up to now is 92.0 secs Computing kpt #: 291 total cpu time spent up to now is 92.4 secs Computing kpt #: 292 total cpu time spent up to now is 92.9 secs Computing kpt #: 293 total cpu time spent up to now is 93.3 secs Computing kpt #: 294 total cpu time spent up to now is 93.8 secs Computing kpt #: 295 total cpu time spent up to now is 94.1 secs Computing kpt #: 296 total cpu time spent up to now is 94.5 secs Computing kpt #: 297 total cpu time spent up to now is 95.0 secs Computing kpt #: 298 total cpu time spent up to now is 95.3 secs Computing kpt #: 299 total cpu time spent up to now is 95.7 secs Computing kpt #: 300 total cpu time spent up to now is 96.1 secs Computing kpt #: 301 total cpu time spent up to now is 96.5 secs Computing kpt #: 302 total cpu time spent up to now is 96.9 secs Computing kpt #: 303 total cpu time spent up to now is 97.2 secs Computing kpt #: 304 total cpu time spent up to now is 97.6 secs Computing kpt #: 305 total cpu time spent up to now is 97.9 secs Computing kpt #: 306 total cpu time spent up to now is 98.2 secs Computing kpt #: 307 total cpu time spent up to now is 98.6 secs Computing kpt #: 308 total cpu time spent up to now is 98.9 secs Computing kpt #: 309 total cpu time spent up to now is 99.2 secs Computing kpt #: 310 total cpu time spent up to now is 99.6 secs Computing kpt #: 311 total cpu time spent up to now is 99.9 secs Computing kpt #: 312 total cpu time spent up to now is 100.2 secs Computing kpt #: 313 total cpu time spent up to now is 100.6 secs Computing kpt #: 314 total cpu time spent up to now is 100.9 secs Computing kpt #: 315 total cpu time spent up to now is 101.2 secs Computing kpt #: 316 total cpu time spent up to now is 101.6 secs Computing kpt #: 317 total cpu time spent up to now is 101.9 secs Computing kpt #: 318 total cpu time spent up to now is 102.2 secs Computing kpt #: 319 total cpu time spent up to now is 102.6 secs Computing kpt #: 320 total cpu time spent up to now is 102.9 secs Computing kpt #: 321 total cpu time spent up to now is 103.3 secs Computing kpt #: 322 total cpu time spent up to now is 103.6 secs Computing kpt #: 323 total cpu time spent up to now is 104.0 secs Computing kpt #: 324 total cpu time spent up to now is 104.3 secs Computing kpt #: 325 total cpu time spent up to now is 104.6 secs Computing kpt #: 326 total cpu time spent up to now is 105.0 secs Computing kpt #: 327 total cpu time spent up to now is 105.3 secs Computing kpt #: 328 total cpu time spent up to now is 105.6 secs Computing kpt #: 329 total cpu time spent up to now is 106.2 secs Computing kpt #: 330 total cpu time spent up to now is 106.5 secs Computing kpt #: 331 total cpu time spent up to now is 106.9 secs Computing kpt #: 332 total cpu time spent up to now is 107.2 secs Computing kpt #: 333 total cpu time spent up to now is 107.6 secs Computing kpt #: 334 total cpu time spent up to now is 107.9 secs Computing kpt #: 335 total cpu time spent up to now is 108.3 secs Computing kpt #: 336 total cpu time spent up to now is 108.6 secs Computing kpt #: 337 total cpu time spent up to now is 109.0 secs Computing kpt #: 338 total cpu time spent up to now is 109.3 secs Computing kpt #: 339 total cpu time spent up to now is 109.7 secs Computing kpt #: 340 total cpu time spent up to now is 110.1 secs Computing kpt #: 341 total cpu time spent up to now is 110.4 secs Computing kpt #: 342 total cpu time spent up to now is 110.8 secs Computing kpt #: 343 total cpu time spent up to now is 111.2 secs Computing kpt #: 344 total cpu time spent up to now is 111.7 secs Computing kpt #: 345 total cpu time spent up to now is 112.2 secs Computing kpt #: 346 total cpu time spent up to now is 112.5 secs Computing kpt #: 347 total cpu time spent up to now is 113.0 secs Computing kpt #: 348 total cpu time spent up to now is 113.4 secs Computing kpt #: 349 total cpu time spent up to now is 113.8 secs Computing kpt #: 350 total cpu time spent up to now is 114.2 secs Computing kpt #: 351 total cpu time spent up to now is 114.7 secs Computing kpt #: 352 total cpu time spent up to now is 115.1 secs Computing kpt #: 353 total cpu time spent up to now is 115.6 secs Computing kpt #: 354 total cpu time spent up to now is 116.1 secs Computing kpt #: 355 total cpu time spent up to now is 116.5 secs Computing kpt #: 356 total cpu time spent up to now is 117.0 secs Computing kpt #: 357 total cpu time spent up to now is 117.4 secs Computing kpt #: 358 total cpu time spent up to now is 117.9 secs Computing kpt #: 359 total cpu time spent up to now is 118.4 secs Computing kpt #: 360 total cpu time spent up to now is 118.8 secs Computing kpt #: 361 total cpu time spent up to now is 119.3 secs Computing kpt #: 362 total cpu time spent up to now is 119.6 secs Computing kpt #: 363 total cpu time spent up to now is 120.0 secs Computing kpt #: 364 total cpu time spent up to now is 120.6 secs Computing kpt #: 365 total cpu time spent up to now is 121.1 secs Computing kpt #: 366 total cpu time spent up to now is 121.4 secs Computing kpt #: 367 total cpu time spent up to now is 121.8 secs Computing kpt #: 368 total cpu time spent up to now is 122.1 secs Computing kpt #: 369 total cpu time spent up to now is 122.5 secs Computing kpt #: 370 total cpu time spent up to now is 122.8 secs ethr = 3.33E-08, avg # of iterations = 15.4 total cpu time spent up to now is 122.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5415 PWs) bands (ev): -74.4575 -74.4575 -74.4501 -74.4501 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9951 -42.9951 0.1968 0.1968 2.8862 2.8862 3.0819 3.0819 3.5933 3.5933 3.6046 3.6046 3.6506 3.6506 3.8328 3.8328 3.8616 3.8616 3.9181 3.9181 4.5353 4.5353 4.5359 4.5359 k = 0.0000 0.0000 0.0140 ( 5407 PWs) bands (ev): -74.4568 -74.4568 -74.4494 -74.4494 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9951 -42.9951 0.1984 0.1984 2.8911 2.8911 3.0820 3.0820 3.5845 3.5845 3.6132 3.6132 3.6558 3.6558 3.8327 3.8327 3.8607 3.8607 3.9250 3.9250 4.5358 4.5358 4.5413 4.5413 k = 0.0000 0.0000 0.0279 ( 5415 PWs) bands (ev): -74.4575 -74.4575 -74.4501 -74.4501 -44.2350 -44.2350 -44.2023 -44.2023 -43.0467 -43.0467 -43.0165 -43.0165 -42.9973 -42.9973 -42.9951 -42.9951 0.2030 0.2030 2.8887 2.8887 3.0763 3.0763 3.5690 3.5690 3.6174 3.6174 3.6621 3.6621 3.8229 3.8229 3.8518 3.8518 3.9378 3.9378 4.5350 4.5350 4.5404 4.5404 k = 0.0000 0.0000 0.0419 ( 5415 PWs) bands (ev): -74.4574 -74.4574 -74.4501 -74.4501 -44.2349 -44.2349 -44.2024 -44.2024 -43.0467 -43.0467 -43.0165 -43.0165 -42.9973 -42.9973 -42.9951 -42.9951 0.2107 0.2107 2.8906 2.8906 3.0765 3.0765 3.5530 3.5530 3.6197 3.6197 3.6734 3.6734 3.8096 3.8096 3.8512 3.8512 3.9545 3.9545 4.5341 4.5341 4.5390 4.5390 k = 0.0000 0.0000 0.0559 ( 5409 PWs) bands (ev): -74.4570 -74.4570 -74.4494 -74.4494 -44.2348 -44.2348 -44.2025 -44.2025 -43.0465 -43.0465 -43.0165 -43.0165 -42.9974 -42.9974 -42.9951 -42.9951 0.2215 0.2215 2.8931 2.8931 3.0786 3.0786 3.5370 3.5370 3.6236 3.6236 3.6867 3.6867 3.7941 3.7941 3.8581 3.8581 3.9721 3.9721 4.5354 4.5354 4.5400 4.5400 k = 0.0000 0.0000 0.0698 ( 5409 PWs) bands (ev): -74.4570 -74.4570 -74.4495 -74.4495 -44.2347 -44.2347 -44.2026 -44.2026 -43.0464 -43.0464 -43.0165 -43.0165 -42.9975 -42.9975 -42.9952 -42.9952 0.2353 0.2353 2.8963 2.8963 3.0789 3.0789 3.5203 3.5203 3.6224 3.6224 3.6977 3.6977 3.7785 3.7785 3.8629 3.8629 3.9900 3.9900 4.5326 4.5326 4.5384 4.5384 k = 0.0000 0.0000 0.0838 ( 5413 PWs) bands (ev): -74.4573 -74.4573 -74.4499 -74.4499 -44.2346 -44.2346 -44.2027 -44.2027 -43.0462 -43.0462 -43.0165 -43.0165 -42.9976 -42.9976 -42.9953 -42.9953 0.2521 0.2521 2.8988 2.8988 3.0791 3.0791 3.5035 3.5035 3.6168 3.6168 3.7036 3.7036 3.7674 3.7674 3.8657 3.8657 4.0078 4.0078 4.5275 4.5275 4.5364 4.5364 k = 0.0000 0.0000 0.0978 ( 5407 PWs) bands (ev): -74.4576 -74.4576 -74.4485 -74.4485 -44.2344 -44.2344 -44.2029 -44.2029 -43.0460 -43.0460 -43.0165 -43.0165 -42.9978 -42.9978 -42.9953 -42.9953 0.2720 0.2720 2.9082 2.9082 3.0805 3.0805 3.4902 3.4902 3.6138 3.6138 3.7012 3.7012 3.7670 3.7670 3.8741 3.8741 4.0243 4.0243 4.5183 4.5183 4.5447 4.5447 k = 0.0000 0.0000 0.1118 ( 5403 PWs) bands (ev): -74.4571 -74.4571 -74.4482 -74.4482 -44.2342 -44.2342 -44.2031 -44.2031 -43.0457 -43.0457 -43.0165 -43.0165 -42.9979 -42.9979 -42.9954 -42.9954 0.2950 0.2950 2.9148 2.9148 3.0792 3.0792 3.4740 3.4740 3.6171 3.6171 3.6902 3.6902 3.7749 3.7749 3.8846 3.8846 4.0420 4.0420 4.5139 4.5139 4.5418 4.5418 k = 0.0000 0.0000 0.1257 ( 5403 PWs) bands (ev): -74.4574 -74.4574 -74.4479 -74.4479 -44.2340 -44.2340 -44.2033 -44.2033 -43.0455 -43.0455 -43.0165 -43.0165 -42.9981 -42.9981 -42.9955 -42.9955 0.3210 0.3210 2.9199 2.9199 3.0802 3.0802 3.4577 3.4577 3.6102 3.6102 3.6740 3.6740 3.7866 3.7866 3.8966 3.8966 4.0588 4.0588 4.5061 4.5061 4.5412 4.5412 k = 0.0000 0.0000 0.1397 ( 5409 PWs) bands (ev): -74.4581 -74.4581 -74.4484 -74.4484 -44.2338 -44.2338 -44.2035 -44.2035 -43.0452 -43.0452 -43.0165 -43.0165 -42.9983 -42.9983 -42.9956 -42.9956 0.3499 0.3499 2.9272 2.9272 3.0807 3.0807 3.4407 3.4407 3.6002 3.6002 3.6546 3.6546 3.7995 3.7995 3.9027 3.9027 4.0752 4.0752 4.4976 4.4976 4.5337 4.5337 k = 0.0000 0.0000 0.1537 ( 5413 PWs) bands (ev): -74.4587 -74.4587 -74.4485 -74.4485 -44.2336 -44.2336 -44.2038 -44.2038 -43.0449 -43.0449 -43.0165 -43.0165 -42.9985 -42.9985 -42.9957 -42.9957 0.3818 0.3818 2.9321 2.9321 3.0816 3.0816 3.4251 3.4251 3.5895 3.5895 3.6370 3.6370 3.8113 3.8113 3.9128 3.9128 4.0866 4.0866 4.4875 4.4875 4.5361 4.5361 k = 0.0000 0.0000 0.1676 ( 5417 PWs) bands (ev): -74.4586 -74.4586 -74.4493 -74.4493 -44.2333 -44.2333 -44.2040 -44.2040 -43.0446 -43.0446 -43.0166 -43.0166 -42.9988 -42.9988 -42.9958 -42.9958 0.4169 0.4169 2.9391 2.9391 3.0782 3.0782 3.4098 3.4098 3.5781 3.5781 3.6239 3.6239 3.8248 3.8248 3.9204 3.9204 4.1014 4.1014 4.4810 4.4810 4.5305 4.5305 k = 0.0000 0.0000 0.1816 ( 5415 PWs) bands (ev): -74.4581 -74.4581 -74.4494 -74.4494 -44.2330 -44.2330 -44.2043 -44.2043 -43.0442 -43.0442 -43.0166 -43.0166 -42.9990 -42.9990 -42.9959 -42.9959 0.4550 0.4550 2.9465 2.9465 3.0803 3.0803 3.3962 3.3962 3.5633 3.5633 3.6137 3.6137 3.8399 3.8399 3.9352 3.9352 4.1175 4.1175 4.4749 4.4749 4.5230 4.5230 k = 0.0000 0.0000 0.1956 ( 5419 PWs) bands (ev): -74.4580 -74.4580 -74.4502 -74.4502 -44.2328 -44.2328 -44.2046 -44.2046 -43.0438 -43.0438 -43.0166 -43.0166 -42.9992 -42.9992 -42.9961 -42.9961 0.4960 0.4960 2.9513 2.9513 3.0824 3.0824 3.3824 3.3824 3.5424 3.5424 3.6034 3.6034 3.8536 3.8536 3.9467 3.9467 4.1271 4.1271 4.4683 4.4683 4.5203 4.5203 k = 0.0000 0.0000 0.2095 ( 5425 PWs) bands (ev): -74.4579 -74.4579 -74.4514 -74.4514 -44.2324 -44.2324 -44.2050 -44.2050 -43.0435 -43.0435 -43.0167 -43.0167 -42.9995 -42.9995 -42.9962 -42.9962 0.5399 0.5399 2.9589 2.9589 3.0847 3.0847 3.3681 3.3681 3.5203 3.5203 3.5935 3.5935 3.8655 3.8655 3.9581 3.9581 4.1361 4.1361 4.4617 4.4617 4.5107 4.5107 k = 0.0000 0.0000 0.2235 ( 5437 PWs) bands (ev): -74.4595 -74.4595 -74.4519 -74.4519 -44.2321 -44.2321 -44.2054 -44.2054 -43.0430 -43.0430 -43.0168 -43.0168 -42.9998 -42.9998 -42.9964 -42.9964 0.5865 0.5865 2.9660 2.9660 3.0791 3.0791 3.3543 3.3543 3.4990 3.4990 3.5779 3.5779 3.8758 3.8758 3.9718 3.9718 4.1436 4.1436 4.4504 4.4504 4.5030 4.5030 k = 0.0000 0.0000 0.2375 ( 5433 PWs) bands (ev): -74.4587 -74.4587 -74.4521 -74.4521 -44.2317 -44.2317 -44.2057 -44.2057 -43.0425 -43.0425 -43.0169 -43.0169 -43.0000 -43.0000 -42.9965 -42.9965 0.6363 0.6363 2.9749 2.9749 3.0833 3.0833 3.3437 3.3437 3.4799 3.4799 3.5704 3.5704 3.8894 3.8894 3.9859 3.9859 4.1525 4.1525 4.4464 4.4464 4.5024 4.5024 k = 0.0000 0.0000 0.2514 ( 5429 PWs) bands (ev): -74.4582 -74.4582 -74.4519 -74.4519 -44.2314 -44.2314 -44.2061 -44.2061 -43.0421 -43.0421 -43.0169 -43.0169 -43.0003 -43.0003 -42.9967 -42.9967 0.6890 0.6890 2.9826 2.9826 3.0869 3.0869 3.3362 3.3362 3.4632 3.4632 3.5617 3.5617 3.9007 3.9007 4.0030 4.0030 4.1600 4.1600 4.4414 4.4414 4.4998 4.4998 k = 0.0000 0.0000 0.2654 ( 5437 PWs) bands (ev): -74.4587 -74.4587 -74.4528 -74.4528 -44.2310 -44.2310 -44.2066 -44.2066 -43.0416 -43.0416 -43.0171 -43.0171 -43.0005 -43.0005 -42.9969 -42.9969 0.7443 0.7443 2.9889 2.9889 3.0899 3.0899 3.3241 3.3241 3.4414 3.4414 3.5501 3.5501 3.9084 3.9084 4.0142 4.0142 4.1620 4.1620 4.4366 4.4366 4.4919 4.4919 k = 0.0000 0.0000 0.2794 ( 5437 PWs) bands (ev): -74.4589 -74.4589 -74.4526 -74.4526 -44.2305 -44.2305 -44.2070 -44.2070 -43.0410 -43.0410 -43.0172 -43.0172 -43.0008 -43.0008 -42.9971 -42.9971 0.8025 0.8025 2.9962 2.9962 3.0915 3.0915 3.3137 3.3137 3.4216 3.4216 3.5405 3.5405 3.9165 3.9165 4.0338 4.0338 4.1663 4.1663 4.4334 4.4334 4.4888 4.4888 k = 0.0000 0.0000 0.2934 ( 5433 PWs) bands (ev): -74.4584 -74.4584 -74.4524 -74.4524 -44.2301 -44.2301 -44.2074 -44.2074 -43.0405 -43.0405 -43.0174 -43.0174 -43.0010 -43.0010 -42.9972 -42.9972 0.8635 0.8635 3.0039 3.0039 3.0987 3.0987 3.3062 3.3062 3.4030 3.4030 3.5304 3.5304 3.9255 3.9255 4.0512 4.0512 4.1678 4.1678 4.4329 4.4329 4.4873 4.4873 k = 0.0000 0.0000 0.3073 ( 5429 PWs) bands (ev): -74.4579 -74.4579 -74.4522 -74.4522 -44.2296 -44.2296 -44.2079 -44.2079 -43.0399 -43.0399 -43.0175 -43.0175 -43.0012 -43.0012 -42.9974 -42.9974 0.9272 0.9272 3.0101 3.0101 3.1074 3.1074 3.2987 3.2987 3.3851 3.3851 3.5230 3.5230 3.9324 3.9324 4.0687 4.0687 4.1675 4.1675 4.4317 4.4317 4.4850 4.4850 k = 0.0000 0.0000 0.3213 ( 5427 PWs) bands (ev): -74.4577 -74.4577 -74.4520 -74.4520 -44.2292 -44.2292 -44.2084 -44.2084 -43.0393 -43.0393 -43.0177 -43.0177 -43.0014 -43.0014 -42.9976 -42.9976 0.9936 0.9936 3.0150 3.0150 3.1133 3.1133 3.2911 3.2911 3.3657 3.3657 3.5150 3.5150 3.9397 3.9397 4.0870 4.0870 4.1674 4.1674 4.4291 4.4291 4.4824 4.4824 k = 0.0000 0.0000 0.3353 ( 5435 PWs) bands (ev): -74.4586 -74.4586 -74.4525 -74.4525 -44.2287 -44.2287 -44.2089 -44.2089 -43.0387 -43.0387 -43.0180 -43.0180 -43.0016 -43.0016 -42.9978 -42.9978 1.0624 1.0624 3.0181 3.0181 3.1135 3.1135 3.2822 3.2822 3.3471 3.3471 3.5009 3.5009 3.9413 3.9413 4.1011 4.1011 4.1636 4.1636 4.4290 4.4290 4.4753 4.4753 k = 0.0000 0.0000 0.3492 ( 5441 PWs) bands (ev): -74.4594 -74.4594 -74.4526 -74.4526 -44.2282 -44.2282 -44.2094 -44.2094 -43.0380 -43.0380 -43.0183 -43.0183 -43.0018 -43.0018 -42.9981 -42.9981 1.1338 1.1338 3.0207 3.0207 3.1186 3.1186 3.2749 3.2749 3.3292 3.3292 3.4861 3.4861 3.9438 3.9438 4.1123 4.1123 4.1552 4.1552 4.4287 4.4287 4.4711 4.4711 k = 0.0000 0.0000 0.3632 ( 5433 PWs) bands (ev): -74.4581 -74.4581 -74.4524 -74.4524 -44.2277 -44.2277 -44.2099 -44.2099 -43.0374 -43.0374 -43.0186 -43.0186 -43.0019 -43.0019 -42.9983 -42.9983 1.2081 1.2081 3.0227 3.0227 3.1296 3.1296 3.2686 3.2686 3.3157 3.3157 3.4772 3.4772 3.9455 3.9455 4.1180 4.1180 4.1599 4.1599 4.4387 4.4387 4.4709 4.4709 k = 0.0000 0.0000 0.3772 ( 5443 PWs) bands (ev): -74.4590 -74.4590 -74.4532 -74.4532 -44.2272 -44.2272 -44.2105 -44.2105 -43.0368 -43.0368 -43.0190 -43.0190 -43.0020 -43.0020 -42.9985 -42.9985 1.2842 1.2842 3.0176 3.0176 3.1344 3.1344 3.2609 3.2609 3.2975 3.2975 3.4596 3.4596 3.9451 3.9451 4.1131 4.1131 4.1697 4.1697 4.4359 4.4359 4.4657 4.4657 k = 0.0000 0.0000 0.3911 ( 5443 PWs) bands (ev): -74.4585 -74.4585 -74.4537 -74.4537 -44.2266 -44.2266 -44.2110 -44.2110 -43.0361 -43.0361 -43.0193 -43.0193 -43.0021 -43.0021 -42.9987 -42.9987 1.3629 1.3629 3.0162 3.0162 3.1425 3.1425 3.2547 3.2547 3.2836 3.2836 3.4471 3.4471 3.9420 3.9420 4.1032 4.1032 4.1848 4.1848 4.4372 4.4372 4.4641 4.4641 k = 0.0000 0.0000 0.4051 ( 5431 PWs) bands (ev): -74.4572 -74.4572 -74.4528 -74.4528 -44.2261 -44.2261 -44.2116 -44.2116 -43.0354 -43.0354 -43.0197 -43.0197 -43.0022 -43.0022 -42.9989 -42.9989 1.4439 1.4439 3.0148 3.0148 3.1553 3.1553 3.2494 3.2494 3.2740 3.2740 3.4380 3.4380 3.9403 3.9403 4.0930 4.0930 4.2050 4.2050 4.4423 4.4423 4.4670 4.4670 k = 0.0000 0.0000 0.4191 ( 5433 PWs) bands (ev): -74.4578 -74.4578 -74.4526 -74.4526 -44.2255 -44.2255 -44.2122 -44.2122 -43.0347 -43.0347 -43.0202 -43.0202 -43.0022 -43.0022 -42.9991 -42.9991 1.5265 1.5265 3.0120 3.0120 3.1622 3.1622 3.2385 3.2385 3.2591 3.2591 3.4269 3.4269 3.9364 3.9364 4.0802 4.0802 4.2161 4.2161 4.4404 4.4404 4.4648 4.4648 k = 0.0000 0.0000 0.4330 ( 5439 PWs) bands (ev): -74.4573 -74.4573 -74.4542 -74.4542 -44.2250 -44.2250 -44.2127 -44.2127 -43.0340 -43.0340 -43.0207 -43.0207 -43.0023 -43.0023 -42.9993 -42.9993 1.6114 1.6114 3.0034 3.0034 3.1678 3.1678 3.2247 3.2247 3.2472 3.2472 3.4111 3.4111 3.9291 3.9291 4.0664 4.0664 4.2229 4.2229 4.4370 4.4370 4.4688 4.4688 k = 0.0000 0.0000 0.4470 ( 5443 PWs) bands (ev): -74.4574 -74.4574 -74.4548 -74.4548 -44.2244 -44.2244 -44.2133 -44.2133 -43.0333 -43.0333 -43.0212 -43.0212 -43.0023 -43.0023 -42.9996 -42.9996 1.6977 1.6977 2.9876 2.9876 3.1765 3.1765 3.2116 3.2116 3.2337 3.2337 3.3970 3.3970 3.9238 3.9238 4.0525 4.0525 4.2368 4.2368 4.4301 4.4301 4.4719 4.4719 k = 0.0000 0.0000 0.4610 ( 5443 PWs) bands (ev): -74.4573 -74.4573 -74.4550 -74.4550 -44.2238 -44.2238 -44.2139 -44.2139 -43.0326 -43.0326 -43.0217 -43.0217 -43.0023 -43.0023 -42.9998 -42.9998 1.7856 1.7856 2.9669 2.9669 3.1863 3.1863 3.1984 3.1984 3.2215 3.2215 3.3828 3.3828 3.9189 3.9189 4.0383 4.0383 4.2531 4.2531 4.4254 4.4254 4.4787 4.4787 k = 0.0000 0.0000 0.4750 ( 5443 PWs) bands (ev): -74.4571 -74.4571 -74.4551 -74.4551 -44.2232 -44.2232 -44.2145 -44.2145 -43.0319 -43.0319 -43.0223 -43.0223 -43.0022 -43.0022 -43.0000 -43.0000 1.8748 1.8748 2.9384 2.9384 3.1854 3.1854 3.1969 3.1969 3.2102 3.2102 3.3687 3.3687 3.9148 3.9148 4.0238 4.0238 4.2690 4.2690 4.4199 4.4199 4.4867 4.4867 k = 0.0000 0.0000 0.4889 ( 5435 PWs) bands (ev): -74.4562 -74.4562 -74.4546 -74.4546 -44.2226 -44.2226 -44.2151 -44.2151 -43.0311 -43.0311 -43.0228 -43.0228 -43.0021 -43.0021 -43.0002 -43.0002 1.9655 1.9655 2.9016 2.9016 3.1765 3.1765 3.2002 3.2002 3.2074 3.2074 3.3579 3.3579 3.9151 3.9151 4.0089 4.0089 4.2849 4.2849 4.4170 4.4170 4.5025 4.5025 k = 0.0000 0.0000 0.5029 ( 5433 PWs) bands (ev): -74.4560 -74.4560 -74.4544 -74.4544 -44.2220 -44.2220 -44.2157 -44.2157 -43.0304 -43.0304 -43.0234 -43.0234 -43.0020 -43.0020 -43.0004 -43.0004 2.0561 2.0561 2.8547 2.8547 3.1682 3.1682 3.1910 3.1910 3.2202 3.2202 3.3411 3.3411 3.9141 3.9141 3.9958 3.9958 4.3054 4.3054 4.4095 4.4095 4.5128 4.5128 k = 0.0000 0.0000 0.5169 ( 5433 PWs) bands (ev): -74.4558 -74.4558 -74.4547 -74.4547 -44.2214 -44.2214 -44.2164 -44.2164 -43.0297 -43.0297 -43.0241 -43.0241 -43.0019 -43.0019 -43.0006 -43.0006 2.1467 2.1467 2.7954 2.7954 3.1628 3.1628 3.1830 3.1830 3.2352 3.2352 3.3325 3.3325 3.9146 3.9146 3.9812 3.9812 4.3179 4.3179 4.4018 4.4018 4.5218 4.5218 k = 0.0000 0.0000 0.5308 ( 5437 PWs) bands (ev): -74.4560 -74.4560 -74.4552 -74.4552 -44.2207 -44.2207 -44.2170 -44.2170 -43.0289 -43.0289 -43.0247 -43.0247 -43.0018 -43.0018 -43.0008 -43.0008 2.2373 2.2373 2.7311 2.7311 3.1592 3.1592 3.1755 3.1755 3.2446 3.2446 3.3163 3.3163 3.9161 3.9161 3.9672 3.9672 4.3308 4.3308 4.3928 4.3928 4.5328 4.5328 k = 0.0000 0.0000 0.5448 ( 5447 PWs) bands (ev): -74.4572 -74.4572 -74.4558 -74.4558 -44.2201 -44.2201 -44.2176 -44.2176 -43.0282 -43.0282 -43.0255 -43.0255 -43.0017 -43.0017 -43.0010 -43.0010 2.3263 2.3263 2.6598 2.6598 3.1574 3.1574 3.1679 3.1679 3.2493 3.2493 3.2992 3.2992 3.9201 3.9201 3.9546 3.9546 4.3358 4.3358 4.3779 4.3779 4.5455 4.5455 k = 0.0000 0.0000 0.5588 ( 5450 PWs) bands (ev): -74.4570 -74.4570 -74.4566 -74.4566 -44.2195 -44.2195 -44.2183 -44.2183 -43.0275 -43.0275 -43.0261 -43.0261 -43.0016 -43.0016 -43.0012 -43.0012 2.4143 2.4143 2.5817 2.5817 3.1568 3.1568 3.1629 3.1629 3.2605 3.2605 3.2860 3.2860 3.9251 3.9251 3.9433 3.9433 4.3455 4.3455 4.3677 4.3677 4.5630 4.5630 k = 0.0000 0.0000 0.5727 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4568 -74.4568 -44.2189 -44.2189 -44.2189 -44.2189 -43.0269 -43.0269 -43.0268 -43.0268 -43.0014 -43.0014 -43.0014 -43.0014 2.4997 2.4997 2.4997 2.4997 3.1591 3.1591 3.1591 3.1591 3.2730 3.2730 3.2731 3.2731 3.9334 3.9334 3.9335 3.9335 4.3569 4.3569 4.3570 4.3570 4.5833 4.5833 k = 0.0000 0.0000 0.5727 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4568 -74.4568 -44.2189 -44.2189 -44.2189 -44.2189 -43.0269 -43.0269 -43.0268 -43.0268 -43.0014 -43.0014 -43.0014 -43.0014 2.4997 2.4997 2.4997 2.4997 3.1591 3.1591 3.1591 3.1591 3.2730 3.2730 3.2731 3.2731 3.9334 3.9334 3.9335 3.9335 4.3569 4.3569 4.3570 4.3570 4.5833 4.5833 k =-0.0122 0.0068 0.5727 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4568 -74.4568 -44.2189 -44.2189 -44.2189 -44.2189 -43.0273 -43.0273 -43.0263 -43.0263 -43.0019 -43.0019 -43.0009 -43.0009 2.5003 2.5003 2.5007 2.5007 3.1593 3.1593 3.1596 3.1596 3.2729 3.2729 3.2742 3.2742 3.9330 3.9330 3.9335 3.9335 4.3554 4.3554 4.3579 4.3579 4.5828 4.5829 k =-0.0244 0.0136 0.5727 ( 5448 PWs) bands (ev): -74.4566 -74.4566 -74.4566 -74.4566 -44.2189 -44.2189 -44.2189 -44.2189 -43.0279 -43.0279 -43.0258 -43.0258 -43.0024 -43.0024 -43.0004 -43.0004 2.5026 2.5026 2.5033 2.5033 3.1609 3.1609 3.1615 3.1615 3.2738 3.2738 3.2764 3.2764 3.9327 3.9327 3.9337 3.9337 4.3532 4.3532 4.3583 4.3583 4.5848 4.5864 k =-0.0366 0.0204 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0284 -43.0284 -43.0253 -43.0253 -43.0029 -43.0029 -42.9999 -42.9999 2.5063 2.5063 2.5073 2.5073 3.1641 3.1641 3.1650 3.1650 3.2758 3.2758 3.2796 3.2796 3.9306 3.9306 3.9320 3.9320 4.3507 4.3507 4.3581 4.3581 4.5873 4.5884 k =-0.0488 0.0273 0.5727 ( 5444 PWs) bands (ev): -74.4562 -74.4562 -74.4562 -74.4562 -44.2189 -44.2189 -44.2189 -44.2189 -43.0289 -43.0289 -43.0248 -43.0248 -43.0033 -43.0033 -42.9993 -42.9993 2.5115 2.5115 2.5129 2.5129 3.1626 3.1626 3.1636 3.1636 3.2845 3.2845 3.2894 3.2894 3.9244 3.9244 3.9263 3.9263 4.3504 4.3504 4.3603 4.3603 4.5900 4.5900 k =-0.0610 0.0341 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0294 -43.0294 -43.0244 -43.0244 -43.0038 -43.0038 -42.9989 -42.9989 2.5180 2.5180 2.5197 2.5197 3.1645 3.1645 3.1658 3.1658 3.2834 3.2834 3.2896 3.2896 3.9269 3.9269 3.9293 3.9293 4.3466 4.3466 4.3589 4.3589 4.5903 4.5903 k =-0.0732 0.0409 0.5727 ( 5450 PWs) bands (ev): -74.4567 -74.4567 -74.4567 -74.4567 -44.2190 -44.2190 -44.2189 -44.2189 -43.0299 -43.0299 -43.0239 -43.0239 -43.0042 -43.0042 -42.9984 -42.9984 2.5256 2.5256 2.5277 2.5277 3.1667 3.1667 3.1684 3.1684 3.2901 3.2901 3.2977 3.2977 3.9196 3.9196 3.9225 3.9225 4.3418 4.3418 4.3562 4.3562 4.5909 4.5909 k =-0.0854 0.0477 0.5727 ( 5454 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2190 -44.2190 -44.2189 -44.2189 -43.0304 -43.0304 -43.0235 -43.0235 -43.0046 -43.0046 -42.9979 -42.9979 2.5347 2.5347 2.5371 2.5371 3.1686 3.1686 3.1710 3.1710 3.2951 3.2951 3.3044 3.3044 3.9160 3.9160 3.9195 3.9195 4.3382 4.3382 4.3543 4.3543 4.5898 4.5898 k =-0.0976 0.0545 0.5727 ( 5456 PWs) bands (ev): -74.4573 -74.4573 -74.4573 -74.4573 -44.2190 -44.2190 -44.2189 -44.2189 -43.0308 -43.0308 -43.0232 -43.0232 -43.0050 -43.0050 -42.9975 -42.9975 2.5451 2.5451 2.5478 2.5478 3.1727 3.1727 3.1753 3.1753 3.3027 3.3027 3.3133 3.3133 3.9105 3.9105 3.9144 3.9144 4.3333 4.3333 4.3516 4.3516 4.5911 4.5911 k =-0.1098 0.0613 0.5727 ( 5456 PWs) bands (ev): -74.4573 -74.4573 -74.4573 -74.4573 -44.2190 -44.2190 -44.2189 -44.2189 -43.0313 -43.0313 -43.0228 -43.0228 -43.0053 -43.0053 -42.9970 -42.9970 2.5565 2.5565 2.5596 2.5596 3.1787 3.1787 3.1818 3.1818 3.3110 3.3110 3.3230 3.3230 3.9067 3.9067 3.9110 3.9110 4.3270 4.3270 4.3469 4.3469 4.5945 4.5945 k =-0.1220 0.0681 0.5727 ( 5464 PWs) bands (ev): -74.4580 -74.4580 -74.4580 -74.4580 -44.2191 -44.2191 -44.2189 -44.2189 -43.0317 -43.0317 -43.0226 -43.0226 -43.0056 -43.0056 -42.9966 -42.9966 2.5687 2.5687 2.5721 2.5721 3.1817 3.1817 3.1851 3.1851 3.3175 3.3175 3.3309 3.3309 3.9001 3.9001 3.9049 3.9049 4.3195 4.3195 4.3409 4.3409 4.5977 4.5977 k =-0.1341 0.0749 0.5727 ( 5460 PWs) bands (ev): -74.4576 -74.4576 -74.4576 -74.4576 -44.2191 -44.2191 -44.2189 -44.2189 -43.0321 -43.0321 -43.0224 -43.0224 -43.0058 -43.0058 -42.9962 -42.9962 2.5831 2.5831 2.5869 2.5869 3.1892 3.1892 3.1932 3.1932 3.3270 3.3270 3.3422 3.3422 3.8953 3.8953 3.9003 3.9003 4.3171 4.3171 4.3399 4.3399 4.6043 4.6043 k =-0.1463 0.0818 0.5727 ( 5468 PWs) bands (ev): -74.4583 -74.4583 -74.4583 -74.4583 -44.2191 -44.2191 -44.2189 -44.2189 -43.0325 -43.0325 -43.0222 -43.0222 -43.0060 -43.0060 -42.9958 -42.9958 2.5963 2.5963 2.6005 2.6005 3.1947 3.1947 3.1994 3.1994 3.3371 3.3371 3.3540 3.3540 3.8899 3.8899 3.8953 3.8953 4.3072 4.3072 4.3310 4.3310 4.6057 4.6057 k =-0.1585 0.0886 0.5727 ( 5468 PWs) bands (ev): -74.4583 -74.4583 -74.4583 -74.4583 -44.2191 -44.2191 -44.2189 -44.2189 -43.0329 -43.0329 -43.0222 -43.0222 -43.0060 -43.0060 -42.9955 -42.9955 2.6107 2.6107 2.6153 2.6153 3.2039 3.2039 3.2090 3.2090 3.3520 3.3520 3.3704 3.3704 3.8824 3.8824 3.8881 3.8881 4.2991 4.2991 4.3239 4.3239 4.6119 4.6119 k =-0.1707 0.0954 0.5727 ( 5472 PWs) bands (ev): -74.4587 -74.4587 -74.4587 -74.4587 -44.2191 -44.2191 -44.2189 -44.2189 -43.0333 -43.0333 -43.0222 -43.0222 -43.0060 -43.0060 -42.9951 -42.9951 2.6253 2.6253 2.6302 2.6302 3.2122 3.2122 3.2176 3.2176 3.3656 3.3656 3.3855 3.3855 3.8770 3.8770 3.8831 3.8831 4.2874 4.2874 4.3132 4.3132 4.6188 4.6188 k =-0.1829 0.1022 0.5727 ( 5460 PWs) bands (ev): -74.4576 -74.4576 -74.4576 -74.4576 -44.2191 -44.2191 -44.2189 -44.2189 -43.0336 -43.0336 -43.0222 -43.0222 -43.0059 -43.0059 -42.9948 -42.9948 2.6413 2.6413 2.6464 2.6464 3.2239 3.2239 3.2295 3.2295 3.3849 3.3849 3.4060 3.4060 3.8760 3.8760 3.8822 3.8822 4.2807 4.2807 4.3067 4.3067 4.6330 4.6330 k =-0.1951 0.1090 0.5727 ( 5452 PWs) bands (ev): -74.4569 -74.4569 -74.4569 -74.4569 -44.2192 -44.2192 -44.2189 -44.2189 -43.0339 -43.0339 -43.0223 -43.0223 -43.0058 -43.0058 -42.9944 -42.9944 2.6576 2.6576 2.6630 2.6630 3.2383 3.2383 3.2445 3.2445 3.4037 3.4037 3.4264 3.4264 3.8720 3.8720 3.8784 3.8784 4.2736 4.2736 4.3001 4.3001 4.6432 4.6432 k =-0.2073 0.1158 0.5727 ( 5456 PWs) bands (ev): -74.4573 -74.4573 -74.4573 -74.4573 -44.2192 -44.2192 -44.2189 -44.2189 -43.0342 -43.0342 -43.0225 -43.0225 -43.0056 -43.0056 -42.9942 -42.9942 2.6726 2.6726 2.6783 2.6783 3.2478 3.2478 3.2544 3.2544 3.4227 3.4227 3.4471 3.4471 3.8664 3.8664 3.8730 3.8730 4.2615 4.2615 4.2889 4.2889 4.6509 4.6509 k =-0.2195 0.1226 0.5727 ( 5450 PWs) bands (ev): -74.4567 -74.4567 -74.4567 -74.4567 -44.2192 -44.2192 -44.2189 -44.2189 -43.0344 -43.0344 -43.0228 -43.0228 -43.0053 -43.0053 -42.9939 -42.9939 2.6885 2.6885 2.6944 2.6944 3.2610 3.2610 3.2679 3.2679 3.4453 3.4453 3.4711 3.4711 3.8623 3.8623 3.8691 3.8691 4.2511 4.2511 4.2788 4.2788 4.6647 4.6647 k =-0.2317 0.1294 0.5727 ( 5454 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2192 -44.2192 -44.2190 -44.2190 -43.0347 -43.0347 -43.0231 -43.0231 -43.0050 -43.0050 -42.9936 -42.9936 2.7022 2.7022 2.7083 2.7083 3.2713 3.2713 3.2786 3.2786 3.4628 3.4628 3.4901 3.4901 3.8541 3.8541 3.8611 3.8611 4.2429 4.2429 4.2713 4.2713 4.6792 4.6792 k =-0.2439 0.1363 0.5727 ( 5454 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2192 -44.2192 -44.2190 -44.2190 -43.0349 -43.0349 -43.0235 -43.0235 -43.0046 -43.0046 -42.9934 -42.9934 2.7164 2.7164 2.7225 2.7225 3.2836 3.2836 3.2913 3.2913 3.4860 3.4860 3.5149 3.5149 3.8498 3.8498 3.8567 3.8567 4.2307 4.2307 4.2592 4.2592 4.6932 4.6932 k =-0.2561 0.1431 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2192 -44.2192 -44.2190 -44.2190 -43.0350 -43.0350 -43.0238 -43.0238 -43.0042 -43.0042 -42.9932 -42.9932 2.7304 2.7304 2.7365 2.7365 3.2977 3.2977 3.3062 3.3062 3.5135 3.5135 3.5446 3.5446 3.8483 3.8483 3.8547 3.8547 4.2227 4.2227 4.2512 4.2512 4.7078 4.7078 k =-0.2683 0.1499 0.5727 ( 5442 PWs) bands (ev): -74.4561 -74.4561 -74.4561 -74.4561 -44.2192 -44.2192 -44.2190 -44.2190 -43.0352 -43.0352 -43.0242 -43.0242 -43.0038 -43.0038 -42.9931 -42.9931 2.7456 2.7456 2.7518 2.7518 3.3141 3.3141 3.3233 3.3233 3.5363 3.5363 3.5693 3.5693 3.8438 3.8438 3.8495 3.8495 4.2110 4.2110 4.2393 4.2393 4.7261 4.7261 k =-0.2805 0.1567 0.5727 ( 5442 PWs) bands (ev): -74.4561 -74.4561 -74.4561 -74.4561 -44.2193 -44.2193 -44.2190 -44.2190 -43.0353 -43.0353 -43.0247 -43.0247 -43.0033 -43.0033 -42.9929 -42.9929 2.7582 2.7582 2.7642 2.7642 3.3273 3.3273 3.3368 3.3368 3.5616 3.5616 3.5965 3.5965 3.8402 3.8402 3.8454 3.8454 4.1981 4.1981 4.2265 4.2265 4.7454 4.7454 k =-0.2927 0.1635 0.5727 ( 5434 PWs) bands (ev): -74.4555 -74.4555 -74.4555 -74.4555 -44.2193 -44.2193 -44.2190 -44.2190 -43.0354 -43.0354 -43.0251 -43.0251 -43.0028 -43.0028 -42.9928 -42.9928 2.7708 2.7708 2.7767 2.7767 3.3432 3.3432 3.3527 3.3527 3.5892 3.5892 3.6256 3.6256 3.8397 3.8397 3.8440 3.8440 4.1860 4.1860 4.2144 4.2144 4.7695 4.7695 k =-0.3049 0.1703 0.5727 ( 5438 PWs) bands (ev): -74.4558 -74.4558 -74.4558 -74.4558 -44.2193 -44.2193 -44.2190 -44.2190 -43.0354 -43.0354 -43.0257 -43.0257 -43.0023 -43.0023 -42.9928 -42.9928 2.7810 2.7810 2.7868 2.7868 3.3559 3.3559 3.3658 3.3658 3.6122 3.6122 3.6508 3.6508 3.8367 3.8367 3.8398 3.8398 4.1727 4.1727 4.2014 4.2014 4.7917 4.7917 k =-0.3171 0.1771 0.5727 ( 5438 PWs) bands (ev): -74.4559 -74.4559 -74.4559 -74.4559 -44.2193 -44.2193 -44.2191 -44.2191 -43.0355 -43.0355 -43.0262 -43.0262 -43.0018 -43.0018 -42.9927 -42.9927 2.7910 2.7910 2.7966 2.7966 3.3707 3.3707 3.3809 3.3809 3.6370 3.6370 3.6778 3.6778 3.8340 3.8340 3.8358 3.8358 4.1595 4.1595 4.1884 4.1884 4.8172 4.8172 k =-0.3293 0.1840 0.5727 ( 5438 PWs) bands (ev): -74.4559 -74.4559 -74.4559 -74.4559 -44.2193 -44.2193 -44.2191 -44.2191 -43.0355 -43.0355 -43.0267 -43.0267 -43.0013 -43.0013 -42.9927 -42.9927 2.8007 2.8007 2.8061 2.8061 3.3833 3.3833 3.3939 3.3939 3.6615 3.6615 3.7053 3.7053 3.8328 3.8328 3.8331 3.8331 4.1455 4.1455 4.1749 4.1749 4.8460 4.8460 k =-0.3415 0.1908 0.5727 ( 5432 PWs) bands (ev): -74.4554 -74.4554 -74.4554 -74.4554 -44.2193 -44.2193 -44.2191 -44.2191 -43.0355 -43.0355 -43.0271 -43.0271 -43.0008 -43.0008 -42.9927 -42.9927 2.8116 2.8116 2.8167 2.8167 3.3974 3.3974 3.4084 3.4084 3.6839 3.6839 3.7305 3.7305 3.8335 3.8335 3.8355 3.8355 4.1350 4.1350 4.1643 4.1643 4.8770 4.8814 k =-0.3537 0.1976 0.5727 ( 5432 PWs) bands (ev): -74.4554 -74.4554 -74.4554 -74.4554 -44.2193 -44.2193 -44.2191 -44.2191 -43.0354 -43.0354 -43.0277 -43.0277 -43.0003 -43.0003 -42.9927 -42.9927 2.8193 2.8193 2.8241 2.8241 3.4070 3.4070 3.4182 3.4182 3.7015 3.7015 3.7501 3.7501 3.8392 3.8392 3.8431 3.8431 4.1223 4.1223 4.1514 4.1514 4.9119 4.9119 k =-0.3659 0.2044 0.5727 ( 5432 PWs) bands (ev): -74.4555 -74.4555 -74.4555 -74.4555 -44.2193 -44.2193 -44.2191 -44.2191 -43.0354 -43.0354 -43.0282 -43.0282 -42.9998 -42.9998 -42.9928 -42.9928 2.8266 2.8266 2.8310 2.8310 3.4204 3.4204 3.4316 3.4316 3.7173 3.7173 3.7665 3.7665 3.8434 3.8434 3.8477 3.8477 4.1094 4.1094 4.1385 4.1385 4.9482 4.9482 k =-0.3780 0.2112 0.5727 ( 5430 PWs) bands (ev): -74.4553 -74.4553 -74.4553 -74.4553 -44.2193 -44.2193 -44.2191 -44.2191 -43.0353 -43.0353 -43.0287 -43.0287 -42.9993 -42.9993 -42.9928 -42.9928 2.8347 2.8347 2.8387 2.8387 3.4337 3.4337 3.4449 3.4449 3.7298 3.7298 3.7771 3.7771 3.8520 3.8520 3.8546 3.8546 4.0971 4.0971 4.1260 4.1260 4.9874 4.9874 k =-0.3902 0.2180 0.5727 ( 5434 PWs) bands (ev): -74.4557 -74.4557 -74.4557 -74.4557 -44.2193 -44.2193 -44.2192 -44.2192 -43.0352 -43.0352 -43.0292 -43.0292 -42.9988 -42.9988 -42.9929 -42.9929 2.8403 2.8403 2.8439 2.8439 3.4456 3.4456 3.4569 3.4569 3.7383 3.7383 3.7817 3.7817 3.8567 3.8567 3.8573 3.8573 4.0886 4.0886 4.1168 4.1168 5.0276 5.0276 k =-0.4024 0.2248 0.5727 ( 5438 PWs) bands (ev): -74.4561 -74.4561 -74.4561 -74.4561 -44.2193 -44.2193 -44.2192 -44.2192 -43.0350 -43.0350 -43.0296 -43.0296 -42.9983 -42.9983 -42.9931 -42.9931 2.8455 2.8455 2.8487 2.8487 3.4535 3.4535 3.4644 3.4644 3.7436 3.7436 3.7812 3.7812 3.8660 3.8660 3.8710 3.8710 4.0782 4.0782 4.1057 4.1057 5.0702 5.0704 k =-0.4146 0.2316 0.5727 ( 5440 PWs) bands (ev): -74.4563 -74.4563 -74.4563 -74.4563 -44.2193 -44.2193 -44.2192 -44.2192 -43.0349 -43.0349 -43.0301 -43.0301 -42.9979 -42.9979 -42.9932 -42.9932 2.8485 2.8485 2.8514 2.8514 3.4645 3.4645 3.4750 3.4750 3.7464 3.7464 3.7795 3.7795 3.8788 3.8788 3.8869 3.8869 4.0668 4.0668 4.0936 4.0936 5.1127 5.1127 k =-0.4268 0.2385 0.5727 ( 5440 PWs) bands (ev): -74.4563 -74.4563 -74.4563 -74.4563 -44.2193 -44.2193 -44.2192 -44.2192 -43.0347 -43.0347 -43.0306 -43.0306 -42.9974 -42.9974 -42.9934 -42.9934 2.8519 2.8519 2.8544 2.8544 3.4765 3.4765 3.4864 3.4864 3.7492 3.7492 3.7781 3.7781 3.8891 3.8891 3.8989 3.8989 4.0578 4.0578 4.0830 4.0830 5.1547 5.1547 k =-0.4390 0.2453 0.5727 ( 5444 PWs) bands (ev): -74.4567 -74.4567 -74.4567 -74.4567 -44.2193 -44.2193 -44.2192 -44.2192 -43.0345 -43.0345 -43.0310 -43.0310 -42.9970 -42.9970 -42.9936 -42.9936 2.8549 2.8549 2.8570 2.8570 3.4854 3.4854 3.4945 3.4945 3.7499 3.7499 3.7741 3.7741 3.8967 3.8967 3.9079 3.9079 4.0496 4.0496 4.0729 4.0729 5.1951 5.1951 k =-0.4512 0.2521 0.5727 ( 5440 PWs) bands (ev): -74.4563 -74.4563 -74.4563 -74.4563 -44.2193 -44.2193 -44.2192 -44.2192 -43.0342 -43.0342 -43.0315 -43.0315 -42.9965 -42.9965 -42.9939 -42.9939 2.8605 2.8605 2.8622 2.8622 3.4959 3.4959 3.5033 3.5033 3.7529 3.7529 3.7723 3.7723 3.9051 3.9051 3.9161 3.9161 4.0400 4.0400 4.0607 4.0607 5.2332 5.2332 k =-0.4634 0.2589 0.5727 ( 5440 PWs) bands (ev): -74.4563 -74.4563 -74.4563 -74.4563 -44.2193 -44.2193 -44.2193 -44.2193 -43.0340 -43.0340 -43.0319 -43.0319 -42.9961 -42.9961 -42.9941 -42.9941 2.8626 2.8626 2.8639 2.8639 3.5032 3.5032 3.5090 3.5090 3.7541 3.7541 3.7689 3.7689 3.9132 3.9132 3.9231 3.9231 4.0359 4.0359 4.0528 4.0528 5.2653 5.2653 k =-0.4756 0.2657 0.5727 ( 5446 PWs) bands (ev): -74.4569 -74.4569 -74.4569 -74.4569 -44.2193 -44.2193 -44.2193 -44.2193 -43.0337 -43.0337 -43.0323 -43.0323 -42.9958 -42.9958 -42.9944 -42.9944 2.8630 2.8630 2.8639 2.8639 3.5074 3.5074 3.5115 3.5115 3.7548 3.7548 3.7649 3.7649 3.9163 3.9163 3.9235 3.9235 4.0329 4.0329 4.0448 4.0448 5.2902 5.2902 k =-0.4878 0.2725 0.5727 ( 5446 PWs) bands (ev): -74.4569 -74.4569 -74.4569 -74.4569 -44.2193 -44.2193 -44.2193 -44.2193 -43.0334 -43.0334 -43.0327 -43.0327 -42.9954 -42.9954 -42.9947 -42.9947 2.8640 2.8640 2.8645 2.8645 3.5114 3.5114 3.5135 3.5135 3.7566 3.7566 3.7617 3.7617 3.9212 3.9212 3.9251 3.9251 4.0331 4.0331 4.0393 4.0393 5.3062 5.3062 k =-0.5000 0.2793 0.5727 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2193 -44.2193 -44.2193 -44.2193 -43.0330 -43.0330 -43.0330 -43.0330 -42.9950 -42.9950 -42.9950 -42.9950 2.8636 2.8636 2.8636 2.8636 3.5128 3.5128 3.5128 3.5128 3.7602 3.7602 3.7602 3.7602 3.9209 3.9209 3.9209 3.9209 4.0371 4.0371 4.0371 4.0371 5.3120 5.3120 k =-0.5000 0.2793 0.5727 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2193 -44.2193 -44.2193 -44.2193 -43.0330 -43.0330 -43.0330 -43.0330 -42.9950 -42.9950 -42.9950 -42.9950 2.8636 2.8636 2.8636 2.8636 3.5128 3.5128 3.5128 3.5128 3.7602 3.7602 3.7602 3.7602 3.9209 3.9209 3.9209 3.9209 4.0371 4.0371 4.0371 4.0371 5.3120 5.3120 k =-0.4912 0.2744 0.5627 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2193 -44.2193 -44.2193 -44.2193 -43.0334 -43.0334 -43.0327 -43.0327 -42.9954 -42.9954 -42.9947 -42.9947 2.8631 2.8631 2.8656 2.8656 3.5101 3.5101 3.5122 3.5122 3.7552 3.7552 3.7604 3.7604 3.9225 3.9225 3.9271 3.9271 4.0310 4.0310 4.0376 4.0376 5.2972 5.2972 k =-0.4825 0.2695 0.5526 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4570 -74.4570 -44.2194 -44.2194 -44.2193 -44.2193 -43.0337 -43.0337 -43.0323 -43.0323 -42.9958 -42.9958 -42.9944 -42.9944 2.8584 2.8584 2.8686 2.8686 3.5060 3.5060 3.5102 3.5102 3.7532 3.7532 3.7637 3.7637 3.9159 3.9159 3.9267 3.9267 4.0306 4.0306 4.0437 4.0437 5.2555 5.2555 k =-0.4737 0.2646 0.5426 ( 5444 PWs) bands (ev): -74.4567 -74.4567 -74.4567 -74.4567 -44.2194 -44.2194 -44.2192 -44.2192 -43.0340 -43.0340 -43.0319 -43.0319 -42.9962 -42.9962 -42.9941 -42.9941 2.8515 2.8515 2.8738 2.8738 3.5004 3.5004 3.5064 3.5064 3.7523 3.7523 3.7691 3.7691 3.9078 3.9078 3.9276 3.9276 4.0329 4.0329 4.0537 4.0537 5.1930 5.1930 k =-0.4649 0.2597 0.5325 ( 5450 PWs) bands (ev): -74.4575 -74.4575 -74.4569 -74.4569 -44.2195 -44.2195 -44.2191 -44.2191 -43.0343 -43.0343 -43.0315 -43.0315 -42.9966 -42.9966 -42.9939 -42.9939 2.8406 2.8406 2.8781 2.8781 3.4919 3.4919 3.5004 3.5004 3.7485 3.7485 3.7690 3.7690 3.8933 3.8933 3.9246 3.9246 4.0353 4.0353 4.0615 4.0615 5.1152 5.1152 k =-0.4561 0.2548 0.5225 ( 5442 PWs) bands (ev): -74.4571 -74.4571 -74.4559 -74.4559 -44.2196 -44.2196 -44.2190 -44.2190 -43.0345 -43.0345 -43.0310 -43.0310 -42.9970 -42.9970 -42.9936 -42.9936 2.8270 2.8270 2.8877 2.8877 3.4830 3.4830 3.4935 3.4935 3.7508 3.7508 3.7769 3.7769 3.8755 3.8755 3.9230 3.9230 4.0435 4.0435 4.0816 4.0816 5.0296 5.0296 k =-0.4474 0.2499 0.5124 ( 5434 PWs) bands (ev): -74.4560 -74.4560 -74.4555 -74.4555 -44.2197 -44.2197 -44.2188 -44.2188 -43.0348 -43.0348 -43.0305 -43.0305 -42.9975 -42.9975 -42.9934 -42.9934 2.8094 2.8094 2.9001 2.9001 3.4752 3.4752 3.4867 3.4867 3.7495 3.7495 3.7815 3.7815 3.8633 3.8633 3.9220 3.9220 4.0511 4.0511 4.0960 4.0960 4.9408 4.9408 k =-0.4386 0.2450 0.5024 ( 5428 PWs) bands (ev): -74.4553 -74.4553 -74.4552 -74.4552 -44.2199 -44.2199 -44.2186 -44.2186 -43.0350 -43.0350 -43.0300 -43.0300 -42.9979 -42.9979 -42.9931 -42.9931 2.7890 2.7890 2.9139 2.9139 3.4697 3.4697 3.4820 3.4820 3.7477 3.7477 3.7838 3.7838 3.8423 3.8423 3.9182 3.9182 4.0586 4.0586 4.1095 4.1095 4.8516 4.8516 k =-0.4298 0.2401 0.4924 ( 5425 PWs) bands (ev): -74.4554 -74.4554 -74.4545 -74.4545 -44.2200 -44.2200 -44.2185 -44.2185 -43.0352 -43.0352 -43.0294 -43.0294 -42.9984 -42.9984 -42.9930 -42.9930 2.7621 2.7621 2.9285 2.9285 3.4586 3.4586 3.4715 3.4715 3.7449 3.7449 3.7824 3.7824 3.8230 3.8230 3.9157 3.9157 4.0706 4.0706 4.1265 4.1265 4.7654 4.7654 k =-0.4211 0.2352 0.4823 ( 5429 PWs) bands (ev): -74.4558 -74.4558 -74.4548 -74.4548 -44.2202 -44.2202 -44.2182 -44.2182 -43.0354 -43.0354 -43.0289 -43.0289 -42.9989 -42.9989 -42.9928 -42.9928 2.7321 2.7321 2.9439 2.9439 3.4458 3.4458 3.4594 3.4594 3.7396 3.7396 3.7702 3.7702 3.8045 3.8045 3.9114 3.9114 4.0775 4.0775 4.1418 4.1418 4.6846 4.6846 k =-0.4123 0.2303 0.4723 ( 5427 PWs) bands (ev): -74.4552 -74.4552 -74.4551 -74.4551 -44.2204 -44.2204 -44.2180 -44.2180 -43.0356 -43.0356 -43.0283 -43.0283 -42.9994 -42.9994 -42.9927 -42.9927 2.6986 2.6986 2.9615 2.9615 3.4325 3.4325 3.4470 3.4470 3.7347 3.7347 3.7477 3.7477 3.7957 3.7957 3.9108 3.9108 4.0884 4.0884 4.1612 4.1612 4.6115 4.6115 k =-0.4035 0.2254 0.4622 ( 5431 PWs) bands (ev): -74.4556 -74.4556 -74.4553 -74.4553 -44.2207 -44.2207 -44.2177 -44.2177 -43.0358 -43.0358 -43.0277 -43.0277 -43.0000 -43.0000 -42.9926 -42.9926 2.6587 2.6587 2.9799 2.9799 3.4184 3.4184 3.4339 3.4339 3.7138 3.7138 3.7332 3.7332 3.7894 3.7894 3.9056 3.9056 4.0978 4.0978 4.1781 4.1781 4.5446 4.5446 k =-0.3947 0.2205 0.4522 ( 5423 PWs) bands (ev): -74.4549 -74.4549 -74.4545 -74.4545 -44.2209 -44.2209 -44.2175 -44.2175 -43.0359 -43.0359 -43.0271 -43.0271 -43.0005 -43.0005 -42.9925 -42.9925 2.6161 2.6161 3.0006 3.0006 3.4038 3.4038 3.4217 3.4217 3.6888 3.6888 3.7264 3.7264 3.7861 3.7861 3.9058 3.9058 4.1119 4.1119 4.2010 4.2010 4.4908 4.4908 k =-0.3860 0.2156 0.4421 ( 5431 PWs) bands (ev): -74.4557 -74.4557 -74.4551 -74.4551 -44.2212 -44.2212 -44.2172 -44.2172 -43.0361 -43.0361 -43.0265 -43.0265 -43.0011 -43.0011 -42.9924 -42.9924 2.5660 2.5660 3.0197 3.0197 3.3852 3.3852 3.4086 3.4086 3.6582 3.6582 3.7141 3.7141 3.7794 3.7794 3.8997 3.8997 4.1203 4.1203 4.2192 4.2192 4.4416 4.4416 k =-0.3772 0.2107 0.4321 ( 5439 PWs) bands (ev): -74.4572 -74.4572 -74.4550 -74.4550 -44.2215 -44.2215 -44.2169 -44.2169 -43.0363 -43.0363 -43.0259 -43.0259 -43.0016 -43.0016 -42.9923 -42.9923 2.5103 2.5103 3.0439 3.0439 3.3663 3.3663 3.3975 3.3975 3.6268 3.6268 3.7008 3.7008 3.7732 3.7732 3.8928 3.8928 4.1277 4.1277 4.2301 4.2301 4.3988 4.3988 k =-0.3684 0.2058 0.4220 ( 5439 PWs) bands (ev): -74.4576 -74.4576 -74.4545 -74.4545 -44.2218 -44.2218 -44.2165 -44.2165 -43.0364 -43.0364 -43.0252 -43.0252 -43.0022 -43.0022 -42.9923 -42.9923 2.4525 2.4525 3.0674 3.0674 3.3457 3.3457 3.3868 3.3868 3.5991 3.5991 3.6850 3.6850 3.7678 3.7678 3.8929 3.8929 4.1389 4.1389 4.2460 4.2460 4.3705 4.3705 k =-0.3596 0.2009 0.4120 ( 5437 PWs) bands (ev): -74.4577 -74.4577 -74.4540 -74.4540 -44.2221 -44.2221 -44.2162 -44.2162 -43.0365 -43.0365 -43.0246 -43.0246 -43.0027 -43.0027 -42.9923 -42.9923 2.3899 2.3899 3.0923 3.0923 3.3251 3.3251 3.3792 3.3792 3.5685 3.5685 3.6690 3.6690 3.7632 3.7632 3.8901 3.8901 4.1503 4.1503 4.2681 4.2681 4.3498 4.3498 k =-0.3509 0.1960 0.4019 ( 5441 PWs) bands (ev): -74.4586 -74.4586 -74.4539 -74.4539 -44.2224 -44.2224 -44.2158 -44.2158 -43.0367 -43.0367 -43.0239 -43.0239 -43.0033 -43.0033 -42.9923 -42.9923 2.3225 2.3225 3.1159 3.1159 3.3065 3.3065 3.3696 3.3696 3.5329 3.5329 3.6518 3.6518 3.7585 3.7585 3.8873 3.8873 4.1615 4.1615 4.2817 4.2817 4.3370 4.3370 k =-0.3421 0.1911 0.3919 ( 5445 PWs) bands (ev): -74.4587 -74.4587 -74.4544 -74.4544 -44.2228 -44.2228 -44.2154 -44.2154 -43.0369 -43.0369 -43.0232 -43.0232 -43.0038 -43.0038 -42.9923 -42.9923 2.2520 2.2520 3.1392 3.1392 3.2839 3.2839 3.3624 3.3624 3.5014 3.5014 3.6361 3.6361 3.7546 3.7546 3.8832 3.8832 4.1721 4.1721 4.3006 4.3006 4.3239 4.3239 k =-0.3333 0.1862 0.3818 ( 5445 PWs) bands (ev): -74.4588 -74.4588 -74.4543 -74.4543 -44.2232 -44.2232 -44.2150 -44.2150 -43.0370 -43.0370 -43.0225 -43.0225 -43.0044 -43.0044 -42.9923 -42.9923 2.1784 2.1784 3.1623 3.1623 3.2631 3.2631 3.3614 3.3614 3.4730 3.4730 3.6209 3.6209 3.7523 3.7523 3.8766 3.8766 4.1842 4.1842 4.3139 4.3139 4.3209 4.3209 k =-0.3246 0.1813 0.3718 ( 5443 PWs) bands (ev): -74.4582 -74.4582 -74.4545 -74.4545 -44.2236 -44.2236 -44.2146 -44.2146 -43.0372 -43.0372 -43.0218 -43.0218 -43.0049 -43.0049 -42.9924 -42.9924 2.1032 2.1032 3.1779 3.1779 3.2477 3.2477 3.3626 3.3626 3.4446 3.4446 3.6081 3.6081 3.7488 3.7488 3.8765 3.8765 4.1977 4.1977 4.3137 4.3137 4.3359 4.3359 k =-0.3158 0.1764 0.3617 ( 5443 PWs) bands (ev): -74.4586 -74.4586 -74.4540 -74.4540 -44.2239 -44.2239 -44.2142 -44.2142 -43.0373 -43.0373 -43.0211 -43.0211 -43.0054 -43.0054 -42.9924 -42.9924 2.0241 2.0241 3.1972 3.1972 3.2298 3.2298 3.3671 3.3671 3.4204 3.4204 3.5959 3.5959 3.7421 3.7421 3.8733 3.8733 4.2056 4.2056 4.3104 4.3104 4.3542 4.3542 k =-0.3070 0.1715 0.3517 ( 5445 PWs) bands (ev): -74.4586 -74.4586 -74.4544 -74.4544 -44.2243 -44.2243 -44.2138 -44.2138 -43.0375 -43.0375 -43.0204 -43.0204 -43.0058 -43.0058 -42.9925 -42.9925 1.9432 1.9432 3.2106 3.2106 3.2116 3.2116 3.3681 3.3681 3.4009 3.4009 3.5860 3.5860 3.7421 3.7422 3.8704 3.8704 4.2160 4.2160 4.3038 4.3038 4.3701 4.3701 k =-0.2982 0.1666 0.3416 ( 5441 PWs) bands (ev): -74.4580 -74.4580 -74.4543 -74.4543 -44.2248 -44.2248 -44.2133 -44.2133 -43.0377 -43.0377 -43.0197 -43.0197 -43.0062 -43.0062 -42.9925 -42.9925 1.8623 1.8623 3.1972 3.1972 3.2231 3.2231 3.3512 3.3512 3.4051 3.4051 3.5773 3.5773 3.7389 3.7389 3.8688 3.8688 4.2292 4.2292 4.3049 4.3049 4.3876 4.3876 k =-0.2895 0.1617 0.3316 ( 5437 PWs) bands (ev): -74.4578 -74.4578 -74.4538 -74.4538 -44.2252 -44.2252 -44.2129 -44.2129 -43.0379 -43.0379 -43.0191 -43.0191 -43.0066 -43.0066 -42.9926 -42.9926 1.7804 1.7804 3.1870 3.1870 3.2343 3.2343 3.3265 3.3265 3.4223 3.4223 3.5697 3.5697 3.7355 3.7355 3.8667 3.8667 4.2410 4.2410 4.3044 4.3044 4.4020 4.4020 k =-0.2807 0.1568 0.3215 ( 5433 PWs) bands (ev): -74.4572 -74.4572 -74.4536 -74.4536 -44.2256 -44.2256 -44.2124 -44.2124 -43.0381 -43.0381 -43.0185 -43.0185 -43.0068 -43.0068 -42.9927 -42.9927 1.6986 1.6986 3.1753 3.1753 3.2410 3.2410 3.3015 3.3015 3.4442 3.4442 3.5639 3.5639 3.7323 3.7323 3.8651 3.8651 4.2536 4.2536 4.3047 4.3047 4.4192 4.4192 k =-0.2719 0.1519 0.3115 ( 5447 PWs) bands (ev): -74.4589 -74.4589 -74.4544 -74.4544 -44.2260 -44.2260 -44.2119 -44.2119 -43.0384 -43.0384 -43.0180 -43.0180 -43.0071 -43.0071 -42.9928 -42.9928 1.6162 1.6162 3.1570 3.1570 3.2374 3.2374 3.2743 3.2743 3.4679 3.4679 3.5576 3.5576 3.7279 3.7279 3.8608 3.8608 4.2536 4.2536 4.2999 4.2999 4.4285 4.4285 k =-0.2632 0.1470 0.3014 ( 5433 PWs) bands (ev): -74.4580 -74.4580 -74.4528 -74.4528 -44.2264 -44.2264 -44.2115 -44.2115 -43.0386 -43.0386 -43.0174 -43.0174 -43.0072 -43.0072 -42.9929 -42.9929 1.5353 1.5353 3.1494 3.1494 3.2347 3.2347 3.2604 3.2604 3.4964 3.4964 3.5560 3.5560 3.7279 3.7279 3.8624 3.8624 4.2722 4.2722 4.3051 4.3051 4.4437 4.4437 k =-0.2544 0.1421 0.2914 ( 5425 PWs) bands (ev): -74.4571 -74.4571 -74.4523 -74.4523 -44.2269 -44.2269 -44.2110 -44.2110 -43.0388 -43.0388 -43.0170 -43.0170 -43.0072 -43.0072 -42.9930 -42.9930 1.4556 1.4556 3.1427 3.1427 3.2202 3.2202 3.2571 3.2571 3.5223 3.5223 3.5562 3.5562 3.7269 3.7269 3.8634 3.8634 4.2875 4.2875 4.3069 4.3069 4.4530 4.4530 k =-0.2456 0.1372 0.2813 ( 5429 PWs) bands (ev): -74.4577 -74.4577 -74.4525 -74.4525 -44.2273 -44.2273 -44.2105 -44.2105 -43.0391 -43.0391 -43.0166 -43.0166 -43.0072 -43.0072 -42.9931 -42.9931 1.3766 1.3766 3.1321 3.1321 3.1974 3.1974 3.2558 3.2558 3.5416 3.5416 3.5618 3.5618 3.7215 3.7215 3.8590 3.8590 4.2967 4.2967 4.3060 4.3060 4.4595 4.4595 k =-0.2368 0.1323 0.2713 ( 5425 PWs) bands (ev): -74.4572 -74.4572 -74.4524 -74.4524 -44.2277 -44.2277 -44.2100 -44.2100 -43.0394 -43.0394 -43.0164 -43.0164 -43.0070 -43.0070 -42.9932 -42.9932 1.2993 1.2993 3.1241 3.1241 3.1752 3.1752 3.2594 3.2594 3.5457 3.5457 3.5833 3.5833 3.7249 3.7249 3.8584 3.8584 4.2964 4.2964 4.3172 4.3172 4.4648 4.4648 k =-0.2281 0.1274 0.2612 ( 5421 PWs) bands (ev): -74.4573 -74.4573 -74.4515 -74.4515 -44.2282 -44.2282 -44.2096 -44.2096 -43.0397 -43.0397 -43.0162 -43.0162 -43.0068 -43.0068 -42.9933 -42.9933 1.2239 1.2239 3.1182 3.1182 3.1542 3.1542 3.2643 3.2643 3.5470 3.5470 3.6102 3.6102 3.7213 3.7213 3.8580 3.8580 4.2956 4.2956 4.3279 4.3279 4.4714 4.4714 k =-0.2193 0.1225 0.2512 ( 5423 PWs) bands (ev): -74.4580 -74.4580 -74.4512 -74.4512 -44.2286 -44.2286 -44.2091 -44.2091 -43.0400 -43.0400 -43.0160 -43.0160 -43.0065 -43.0065 -42.9935 -42.9935 1.1506 1.1506 3.1079 3.1079 3.1342 3.1342 3.2677 3.2677 3.5478 3.5478 3.6336 3.6336 3.7130 3.7130 3.8577 3.8577 4.2908 4.2908 4.3384 4.3384 4.4808 4.4808 k =-0.2105 0.1176 0.2412 ( 5425 PWs) bands (ev): -74.4585 -74.4585 -74.4510 -74.4510 -44.2290 -44.2290 -44.2087 -44.2087 -43.0403 -43.0403 -43.0160 -43.0160 -43.0061 -43.0061 -42.9936 -42.9936 1.0793 1.0793 3.0998 3.0998 3.1164 3.1164 3.2746 3.2746 3.5490 3.5490 3.6551 3.6551 3.7079 3.7079 3.8565 3.8565 4.2806 4.2806 4.3472 4.3472 4.4874 4.4874 k =-0.2018 0.1127 0.2311 ( 5433 PWs) bands (ev): -74.4587 -74.4587 -74.4523 -74.4523 -44.2294 -44.2294 -44.2082 -44.2082 -43.0407 -43.0407 -43.0159 -43.0159 -43.0056 -43.0056 -42.9938 -42.9938 1.0102 1.0102 3.0822 3.0822 3.1022 3.1022 3.2806 3.2806 3.5510 3.5510 3.6717 3.6717 3.7047 3.7047 3.8506 3.8506 4.2718 4.2718 4.3568 4.3568 4.4905 4.4905 k =-0.1930 0.1078 0.2211 ( 5431 PWs) bands (ev): -74.4585 -74.4585 -74.4522 -74.4522 -44.2299 -44.2299 -44.2078 -44.2078 -43.0411 -43.0411 -43.0160 -43.0160 -43.0051 -43.0051 -42.9939 -42.9939 0.9436 0.9436 3.0653 3.0653 3.0982 3.0982 3.2879 3.2879 3.5541 3.5541 3.6892 3.6892 3.7033 3.7033 3.8506 3.8506 4.2639 4.2639 4.3695 4.3695 4.4944 4.4944 k =-0.1842 0.1029 0.2110 ( 5423 PWs) bands (ev): -74.4579 -74.4579 -74.4513 -74.4513 -44.2302 -44.2302 -44.2073 -44.2073 -43.0414 -43.0414 -43.0160 -43.0160 -43.0045 -43.0045 -42.9940 -42.9940 0.8795 0.8795 3.0535 3.0535 3.1007 3.1007 3.2968 3.2968 3.5583 3.5583 3.6947 3.6947 3.7138 3.7138 3.8524 3.8524 4.2574 4.2574 4.3801 4.3801 4.4982 4.4982 k =-0.1754 0.0980 0.2010 ( 5423 PWs) bands (ev): -74.4580 -74.4580 -74.4512 -74.4512 -44.2306 -44.2306 -44.2069 -44.2069 -43.0418 -43.0418 -43.0160 -43.0160 -43.0040 -43.0040 -42.9941 -42.9941 0.8178 0.8178 3.0371 3.0371 3.0972 3.0972 3.3060 3.3060 3.5631 3.5631 3.6925 3.6925 3.7284 3.7284 3.8525 3.8525 4.2460 4.2460 4.3901 4.3901 4.5014 4.5014 k =-0.1667 0.0931 0.1909 ( 5435 PWs) bands (ev): -74.4592 -74.4592 -74.4521 -74.4521 -44.2310 -44.2310 -44.2065 -44.2065 -43.0422 -43.0422 -43.0161 -43.0161 -43.0034 -43.0034 -42.9943 -42.9943 0.7585 0.7585 3.0211 3.0211 3.0874 3.0874 3.3088 3.3088 3.5653 3.5653 3.6884 3.6884 3.7369 3.7369 3.8512 3.8512 4.2293 4.2293 4.3995 4.3995 4.5020 4.5020 k =-0.1579 0.0882 0.1809 ( 5429 PWs) bands (ev): -74.4586 -74.4586 -74.4516 -74.4516 -44.2314 -44.2314 -44.2061 -44.2061 -43.0426 -43.0426 -43.0161 -43.0161 -43.0028 -43.0028 -42.9944 -42.9944 0.7024 0.7024 3.0066 3.0066 3.0851 3.0851 3.3243 3.3243 3.5757 3.5757 3.6877 3.6877 3.7438 3.7438 3.8532 3.8532 4.2191 4.2191 4.4091 4.4091 4.5101 4.5101 k =-0.1491 0.0833 0.1708 ( 5425 PWs) bands (ev): -74.4587 -74.4587 -74.4507 -74.4507 -44.2318 -44.2318 -44.2057 -44.2057 -43.0429 -43.0429 -43.0162 -43.0162 -43.0023 -43.0023 -42.9945 -42.9945 0.6487 0.6487 3.0007 3.0007 3.0788 3.0788 3.3352 3.3352 3.5831 3.5831 3.6812 3.6812 3.7543 3.7543 3.8555 3.8555 4.2060 4.2060 4.4245 4.4245 4.5132 4.5132 k =-0.1404 0.0784 0.1608 ( 5425 PWs) bands (ev): -74.4588 -74.4588 -74.4506 -74.4506 -44.2321 -44.2321 -44.2054 -44.2054 -43.0433 -43.0433 -43.0162 -43.0162 -43.0017 -43.0017 -42.9946 -42.9946 0.5980 0.5980 2.9875 2.9875 3.0768 3.0768 3.3476 3.3476 3.5905 3.5905 3.6794 3.6794 3.7612 3.7612 3.8554 3.8554 4.1908 4.1908 4.4333 4.4333 4.5154 4.5154 k =-0.1316 0.0735 0.1507 ( 5433 PWs) bands (ev): -74.4593 -74.4593 -74.4515 -74.4515 -44.2324 -44.2324 -44.2050 -44.2050 -43.0437 -43.0437 -43.0163 -43.0163 -43.0012 -43.0012 -42.9948 -42.9948 0.5500 0.5500 2.9697 2.9697 3.0750 3.0750 3.3591 3.3591 3.5972 3.5972 3.6776 3.6776 3.7623 3.7623 3.8541 3.8541 4.1697 4.1697 4.4415 4.4415 4.5152 4.5152 k =-0.1228 0.0686 0.1407 ( 5433 PWs) bands (ev): -74.4591 -74.4591 -74.4518 -74.4518 -44.2328 -44.2328 -44.2047 -44.2047 -43.0440 -43.0440 -43.0164 -43.0164 -43.0007 -43.0007 -42.9948 -42.9948 0.5050 0.5050 2.9586 2.9586 3.0748 3.0748 3.3753 3.3753 3.6038 3.6038 3.6773 3.6773 3.7646 3.7646 3.8525 3.8525 4.1509 4.1509 4.4526 4.4526 4.5147 4.5147 k =-0.1140 0.0637 0.1306 ( 5421 PWs) bands (ev): -74.4574 -74.4574 -74.4513 -74.4513 -44.2331 -44.2331 -44.2043 -44.2043 -43.0444 -43.0444 -43.0164 -43.0164 -43.0001 -43.0001 -42.9949 -42.9949 0.4631 0.4631 2.9510 2.9510 3.0757 3.0757 3.3918 3.3918 3.6146 3.6146 3.6809 3.6809 3.7666 3.7666 3.8527 3.8527 4.1355 4.1355 4.4776 4.4776 4.5180 4.5180 k =-0.1053 0.0588 0.1206 ( 5429 PWs) bands (ev): -74.4580 -74.4580 -74.4521 -74.4521 -44.2334 -44.2334 -44.2041 -44.2041 -43.0447 -43.0447 -43.0165 -43.0165 -42.9997 -42.9997 -42.9950 -42.9950 0.4239 0.4239 2.9383 2.9383 3.0746 3.0746 3.4043 3.4043 3.6181 3.6181 3.6807 3.6807 3.7632 3.7632 3.8496 3.8496 4.1151 4.1151 4.4834 4.4834 4.5189 4.5189 k =-0.0965 0.0539 0.1105 ( 5431 PWs) bands (ev): -74.4589 -74.4589 -74.4516 -74.4516 -44.2336 -44.2336 -44.2038 -44.2038 -43.0450 -43.0450 -43.0165 -43.0165 -42.9993 -42.9993 -42.9951 -42.9951 0.3878 0.3878 2.9293 2.9293 3.0737 3.0737 3.4182 3.4182 3.6221 3.6221 3.6844 3.6844 3.7599 3.7599 3.8487 3.8487 4.0963 4.0963 4.4897 4.4897 4.5212 4.5212 k =-0.0877 0.0490 0.1005 ( 5421 PWs) bands (ev): -74.4580 -74.4580 -74.4506 -74.4506 -44.2338 -44.2338 -44.2035 -44.2035 -43.0453 -43.0453 -43.0165 -43.0165 -42.9989 -42.9989 -42.9951 -42.9951 0.3549 0.3549 2.9234 2.9234 3.0748 3.0748 3.4353 3.4353 3.6266 3.6266 3.6918 3.6918 3.7621 3.7621 3.8499 3.8499 4.0853 4.0853 4.4984 4.4984 4.5278 4.5278 k =-0.0789 0.0441 0.0904 ( 5411 PWs) bands (ev): -74.4574 -74.4574 -74.4494 -74.4494 -44.2340 -44.2340 -44.2033 -44.2033 -43.0455 -43.0455 -43.0165 -43.0165 -42.9985 -42.9985 -42.9951 -42.9951 0.3251 0.3251 2.9162 2.9162 3.0797 3.0797 3.4548 3.4548 3.6295 3.6295 3.7020 3.7020 3.7614 3.7614 3.8491 3.8491 4.0709 4.0709 4.5049 4.5049 4.5379 4.5379 k =-0.0702 0.0392 0.0804 ( 5411 PWs) bands (ev): -74.4568 -74.4568 -74.4500 -74.4500 -44.2342 -44.2342 -44.2031 -44.2031 -43.0458 -43.0458 -43.0165 -43.0165 -42.9982 -42.9982 -42.9951 -42.9951 0.2983 0.2983 2.9090 2.9090 3.0822 3.0822 3.4698 3.4698 3.6306 3.6306 3.7065 3.7065 3.7598 3.7598 3.8467 3.8467 4.0514 4.0514 4.5136 4.5136 4.5390 4.5390 k =-0.0614 0.0343 0.0703 ( 5411 PWs) bands (ev): -74.4569 -74.4569 -74.4500 -74.4500 -44.2344 -44.2344 -44.2029 -44.2029 -43.0460 -43.0460 -43.0165 -43.0165 -42.9979 -42.9979 -42.9952 -42.9952 0.2746 0.2746 2.9028 2.9028 3.0817 3.0817 3.4845 3.4845 3.6307 3.6307 3.7076 3.7076 3.7607 3.7607 3.8466 3.8466 4.0336 4.0336 4.5229 4.5229 4.5394 4.5394 k =-0.0526 0.0294 0.0603 ( 5413 PWs) bands (ev): -74.4569 -74.4569 -74.4503 -74.4503 -44.2346 -44.2346 -44.2027 -44.2027 -43.0462 -43.0462 -43.0165 -43.0165 -42.9977 -42.9977 -42.9952 -42.9952 0.2540 0.2540 2.8955 2.8955 3.0812 3.0812 3.5011 3.5011 3.6302 3.6302 3.7036 3.7036 3.7686 3.7686 3.8459 3.8459 4.0132 4.0132 4.5269 4.5269 4.5401 4.5401 k =-0.0439 0.0245 0.0502 ( 5413 PWs) bands (ev): -74.4566 -74.4566 -74.4506 -74.4506 -44.2347 -44.2347 -44.2026 -44.2026 -43.0464 -43.0464 -43.0165 -43.0165 -42.9975 -42.9975 -42.9951 -42.9951 0.2366 0.2366 2.8896 2.8896 3.0817 3.0817 3.5185 3.5185 3.6293 3.6293 3.6967 3.6967 3.7827 3.7827 3.8455 3.8455 3.9941 3.9941 4.5304 4.5304 4.5382 4.5382 k =-0.0351 0.0196 0.0402 ( 5413 PWs) bands (ev): -74.4570 -74.4570 -74.4502 -74.4502 -44.2348 -44.2348 -44.2025 -44.2025 -43.0465 -43.0465 -43.0165 -43.0165 -42.9974 -42.9974 -42.9951 -42.9951 0.2223 0.2223 2.8896 2.8896 3.0815 3.0815 3.5358 3.5358 3.6254 3.6254 3.6846 3.6846 3.7972 3.7972 3.8458 3.8458 3.9746 3.9746 4.5330 4.5330 4.5397 4.5397 k =-0.0263 0.0147 0.0301 ( 5417 PWs) bands (ev): -74.4571 -74.4571 -74.4508 -74.4508 -44.2349 -44.2349 -44.2024 -44.2024 -43.0467 -43.0467 -43.0166 -43.0166 -42.9973 -42.9973 -42.9951 -42.9951 0.2112 0.2112 2.8870 2.8870 3.0794 3.0794 3.5521 3.5521 3.6229 3.6229 3.6724 3.6724 3.8084 3.8084 3.8464 3.8464 3.9546 3.9546 4.5338 4.5338 4.5390 4.5390 k =-0.0175 0.0098 0.0201 ( 5413 PWs) bands (ev): -74.4571 -74.4571 -74.4501 -74.4501 -44.2350 -44.2350 -44.2023 -44.2023 -43.0467 -43.0467 -43.0165 -43.0165 -42.9973 -42.9973 -42.9951 -42.9951 0.2032 0.2032 2.8887 2.8887 3.0792 3.0792 3.5689 3.5689 3.6191 3.6191 3.6621 3.6621 3.8224 3.8224 3.8529 3.8529 3.9378 3.9378 4.5350 4.5350 4.5404 4.5404 k =-0.0088 0.0049 0.0100 ( 5407 PWs) bands (ev): -74.4568 -74.4568 -74.4494 -74.4494 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9951 -42.9951 0.1985 0.1985 2.8911 2.8911 3.0820 3.0820 3.5848 3.5848 3.6131 3.6131 3.6556 3.6556 3.8329 3.8329 3.8606 3.8606 3.9248 3.9248 4.5358 4.5358 4.5413 4.5413 k = 0.0000 0.0000 0.0000 ( 5415 PWs) bands (ev): -74.4575 -74.4575 -74.4501 -74.4501 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9951 -42.9951 0.1968 0.1968 2.8862 2.8862 3.0819 3.0819 3.5933 3.5933 3.6046 3.6046 3.6506 3.6506 3.8328 3.8328 3.8616 3.8616 3.9181 3.9181 4.5353 4.5353 4.5359 4.5359 k = 0.0000 0.0000 0.0000 ( 5415 PWs) bands (ev): -74.4575 -74.4575 -74.4501 -74.4501 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9951 -42.9951 0.1968 0.1968 2.8862 2.8862 3.0819 3.0819 3.5933 3.5933 3.6046 3.6046 3.6506 3.6506 3.8328 3.8328 3.8616 3.8616 3.9181 3.9181 4.5353 4.5353 4.5359 4.5359 k = 0.0069 0.0123-0.0000 ( 5407 PWs) bands (ev): -74.4568 -74.4568 -74.4494 -74.4494 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0165 -43.0165 -42.9972 -42.9972 -42.9950 -42.9950 0.1984 0.1984 2.8911 2.8911 3.0819 3.0819 3.5944 3.5944 3.6067 3.6067 3.6527 3.6527 3.8352 3.8352 3.8639 3.8639 3.9190 3.9190 4.5356 4.5356 4.5415 4.5415 k = 0.0138 0.0246-0.0000 ( 5407 PWs) bands (ev): -74.4568 -74.4568 -74.4494 -74.4494 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0166 -43.0166 -42.9972 -42.9972 -42.9951 -42.9951 0.2028 0.2028 2.8922 2.8922 3.0818 3.0818 3.5956 3.5956 3.6058 3.6058 3.6517 3.6517 3.8354 3.8354 3.8636 3.8636 3.9200 3.9200 4.5346 4.5346 4.5411 4.5411 k = 0.0206 0.0370-0.0000 ( 5415 PWs) bands (ev): -74.4567 -74.4567 -74.4508 -74.4508 -44.2350 -44.2350 -44.2023 -44.2023 -43.0468 -43.0468 -43.0166 -43.0166 -42.9972 -42.9972 -42.9951 -42.9951 0.2101 0.2101 2.8868 2.8868 3.0815 3.0815 3.5968 3.5968 3.6044 3.6044 3.6501 3.6501 3.8296 3.8296 3.8567 3.8567 3.9215 3.9215 4.5324 4.5324 4.5405 4.5405 k = 0.0275 0.0493-0.0000 ( 5427 PWs) bands (ev): -74.4581 -74.4581 -74.4515 -74.4515 -44.2350 -44.2350 -44.2024 -44.2024 -43.0468 -43.0468 -43.0167 -43.0167 -42.9972 -42.9972 -42.9951 -42.9951 0.2201 0.2201 2.8892 2.8892 3.0753 3.0753 3.5928 3.5928 3.5989 3.5989 3.6448 3.6448 3.8274 3.8274 3.8538 3.8538 3.9150 3.9150 4.5299 4.5299 4.5396 4.5396 k = 0.0344 0.0616-0.0000 ( 5415 PWs) bands (ev): -74.4570 -74.4570 -74.4504 -74.4504 -44.2349 -44.2349 -44.2024 -44.2024 -43.0467 -43.0467 -43.0167 -43.0167 -42.9972 -42.9972 -42.9951 -42.9951 0.2336 0.2336 2.8926 2.8926 3.0750 3.0750 3.5992 3.5992 3.6056 3.6056 3.6456 3.6456 3.8306 3.8306 3.8555 3.8555 3.9293 3.9293 4.5270 4.5270 4.5387 4.5387 k = 0.0413 0.0739-0.0000 ( 5403 PWs) bands (ev): -74.4556 -74.4556 -74.4497 -74.4497 -44.2349 -44.2349 -44.2024 -44.2024 -43.0467 -43.0467 -43.0167 -43.0167 -42.9972 -42.9972 -42.9950 -42.9950 0.2499 0.2499 2.8976 2.8976 3.0748 3.0748 3.6035 3.6035 3.6106 3.6106 3.6504 3.6504 3.8343 3.8343 3.8580 3.8580 3.9343 3.9343 4.5235 4.5235 4.5438 4.5438 k = 0.0482 0.0862-0.0000 ( 5395 PWs) bands (ev): -74.4541 -74.4541 -74.4497 -74.4497 -44.2348 -44.2348 -44.2024 -44.2024 -43.0466 -43.0466 -43.0167 -43.0167 -42.9971 -42.9971 -42.9950 -42.9950 0.2692 0.2692 2.9023 2.9023 3.0747 3.0747 3.6059 3.6059 3.6137 3.6137 3.6535 3.6535 3.8352 3.8352 3.8572 3.8572 3.9460 3.9460 4.5191 4.5191 4.5429 4.5429 k = 0.0551 0.0986-0.0000 ( 5407 PWs) bands (ev): -74.4541 -74.4541 -74.4519 -74.4519 -44.2348 -44.2348 -44.2025 -44.2025 -43.0466 -43.0466 -43.0169 -43.0169 -42.9971 -42.9971 -42.9950 -42.9950 0.2911 0.2911 2.9047 2.9047 3.0729 3.0729 3.6001 3.6001 3.6107 3.6107 3.6511 3.6511 3.8282 3.8282 3.8473 3.8473 3.9508 3.9508 4.5090 4.5090 4.5395 4.5395 k = 0.0619 0.1109-0.0000 ( 5399 PWs) bands (ev): -74.4541 -74.4541 -74.4504 -74.4504 -44.2347 -44.2347 -44.2026 -44.2026 -43.0465 -43.0465 -43.0169 -43.0169 -42.9971 -42.9971 -42.9950 -42.9950 0.3158 0.3158 2.9157 2.9157 3.0721 3.0721 3.5950 3.5950 3.6117 3.6117 3.6532 3.6532 3.8322 3.8322 3.8497 3.8497 3.9552 3.9552 4.5113 4.5113 4.5374 4.5374 k = 0.0688 0.1232-0.0000 ( 5407 PWs) bands (ev): -74.4541 -74.4541 -74.4519 -74.4519 -44.2347 -44.2347 -44.2027 -44.2027 -43.0465 -43.0465 -43.0171 -43.0171 -42.9971 -42.9971 -42.9950 -42.9950 0.3434 0.3434 2.9224 2.9224 3.0712 3.0712 3.5885 3.5885 3.6066 3.6066 3.6565 3.6565 3.8264 3.8264 3.8412 3.8412 3.9599 3.9599 4.4989 4.4989 4.5351 4.5351 k = 0.0757 0.1355-0.0000 ( 5407 PWs) bands (ev): -74.4541 -74.4541 -74.4519 -74.4519 -44.2346 -44.2346 -44.2028 -44.2028 -43.0464 -43.0464 -43.0172 -43.0172 -42.9971 -42.9971 -42.9950 -42.9950 0.3738 0.3738 2.9300 2.9300 3.0703 3.0703 3.5824 3.5824 3.6014 3.6014 3.6622 3.6622 3.8273 3.8273 3.8402 3.8402 3.9653 3.9653 4.4914 4.4914 4.5326 4.5326 k = 0.0826 0.1478-0.0000 ( 5407 PWs) bands (ev): -74.4541 -74.4541 -74.4519 -74.4519 -44.2345 -44.2345 -44.2029 -44.2029 -43.0464 -43.0464 -43.0173 -43.0173 -42.9970 -42.9970 -42.9950 -42.9950 0.4070 0.4070 2.9382 2.9382 3.0693 3.0693 3.5759 3.5759 3.5951 3.5951 3.6693 3.6693 3.8282 3.8282 3.8391 3.8391 3.9712 3.9712 4.4831 4.4831 4.5299 4.5299 k = 0.0895 0.1601-0.0000 ( 5383 PWs) bands (ev): -74.4526 -74.4526 -74.4491 -74.4491 -44.2344 -44.2344 -44.2029 -44.2029 -43.0462 -43.0462 -43.0173 -43.0173 -42.9969 -42.9969 -42.9950 -42.9950 0.4431 0.4431 2.9542 2.9542 3.0763 3.0763 3.5720 3.5720 3.5918 3.5918 3.6810 3.6810 3.8366 3.8366 3.8464 3.8464 3.9818 3.9818 4.4902 4.4902 4.5331 4.5331 k = 0.0964 0.1725-0.0000 ( 5383 PWs) bands (ev): -74.4526 -74.4526 -74.4491 -74.4491 -44.2343 -44.2343 -44.2031 -44.2031 -43.0461 -43.0461 -43.0174 -43.0174 -42.9969 -42.9969 -42.9950 -42.9950 0.4819 0.4819 2.9638 2.9638 3.0751 3.0751 3.5652 3.5652 3.5843 3.5843 3.6899 3.6899 3.8373 3.8373 3.8452 3.8452 3.9889 3.9889 4.4801 4.4801 4.5299 4.5299 k = 0.1032 0.1848-0.0000 ( 5391 PWs) bands (ev): -74.4532 -74.4532 -74.4498 -74.4498 -44.2342 -44.2342 -44.2032 -44.2032 -43.0460 -43.0460 -43.0176 -43.0176 -42.9969 -42.9969 -42.9951 -42.9951 0.5232 0.5232 2.9732 2.9732 3.0730 3.0730 3.5524 3.5524 3.5704 3.5704 3.6982 3.6982 3.8363 3.8363 3.8419 3.8419 3.9949 3.9949 4.4687 4.4687 4.5255 4.5255 k = 0.1101 0.1971-0.0000 ( 5375 PWs) bands (ev): -74.4517 -74.4517 -74.4484 -74.4484 -44.2341 -44.2341 -44.2033 -44.2033 -43.0459 -43.0459 -43.0177 -43.0177 -42.9968 -42.9968 -42.9950 -42.9950 0.5677 0.5677 2.9852 2.9852 3.0724 3.0724 3.5496 3.5496 3.5661 3.5661 3.7131 3.7131 3.8481 3.8481 3.8518 3.8518 4.0067 4.0067 4.4590 4.4590 4.5235 4.5235 k = 0.1170 0.2094-0.0000 ( 5383 PWs) bands (ev): -74.4516 -74.4516 -74.4499 -74.4499 -44.2340 -44.2340 -44.2034 -44.2034 -43.0458 -43.0458 -43.0179 -43.0179 -42.9968 -42.9968 -42.9950 -42.9950 0.6145 0.6145 2.9963 2.9963 3.0709 3.0709 3.5408 3.5408 3.5553 3.5553 3.7176 3.7176 3.8434 3.8434 3.8450 3.8450 4.0152 4.0152 4.4452 4.4452 4.5197 4.5197 k = 0.1239 0.2217-0.0000 ( 5375 PWs) bands (ev): -74.4508 -74.4508 -74.4492 -74.4492 -44.2338 -44.2338 -44.2036 -44.2036 -43.0457 -43.0457 -43.0180 -43.0180 -42.9968 -42.9968 -42.9950 -42.9950 0.6641 0.6641 3.0094 3.0094 3.0713 3.0713 3.5393 3.5393 3.5532 3.5532 3.7278 3.7278 3.8450 3.8450 3.8451 3.8451 4.0247 4.0247 4.4337 4.4337 4.5172 4.5172 k = 0.1308 0.2341-0.0000 ( 5392 PWs) bands (ev): -74.4524 -74.4524 -74.4507 -74.4507 -44.2337 -44.2337 -44.2038 -44.2038 -43.0456 -43.0456 -43.0182 -43.0182 -42.9968 -42.9968 -42.9951 -42.9951 0.7158 0.7158 3.0158 3.0158 3.0663 3.0663 3.5258 3.5258 3.5387 3.5387 3.7353 3.7353 3.8412 3.8412 3.8436 3.8436 4.0314 4.0314 4.4128 4.4128 4.5048 4.5048 k = 0.1376 0.2464-0.0000 ( 5384 PWs) bands (ev): -74.4523 -74.4523 -74.4493 -74.4493 -44.2336 -44.2336 -44.2039 -44.2039 -43.0455 -43.0455 -43.0183 -43.0183 -42.9967 -42.9967 -42.9951 -42.9951 0.7703 0.7703 3.0295 3.0295 3.0650 3.0650 3.5201 3.5201 3.5331 3.5331 3.7525 3.7525 3.8443 3.8443 3.8494 3.8494 4.0420 4.0420 4.3977 4.3977 4.5003 4.5003 k = 0.1445 0.2587-0.0000 ( 5384 PWs) bands (ev): -74.4522 -74.4522 -74.4494 -74.4494 -44.2334 -44.2334 -44.2041 -44.2041 -43.0454 -43.0454 -43.0185 -43.0185 -42.9967 -42.9967 -42.9951 -42.9951 0.8273 0.8273 3.0430 3.0430 3.0628 3.0628 3.5096 3.5096 3.5216 3.5216 3.7642 3.7642 3.8445 3.8445 3.8526 3.8526 4.0546 4.0546 4.3826 4.3826 4.4955 4.4955 k = 0.1514 0.2710-0.0000 ( 5392 PWs) bands (ev): -74.4528 -74.4528 -74.4502 -74.4502 -44.2333 -44.2333 -44.2043 -44.2043 -43.0452 -43.0452 -43.0187 -43.0187 -42.9967 -42.9967 -42.9951 -42.9951 0.8865 0.8865 3.0542 3.0542 3.0606 3.0606 3.4986 3.4986 3.5098 3.5098 3.7716 3.7716 3.8404 3.8404 3.8523 3.8523 4.0660 4.0660 4.3651 4.3651 4.4867 4.4867 k = 0.1583 0.2833-0.0000 ( 5396 PWs) bands (ev): -74.4527 -74.4527 -74.4510 -74.4510 -44.2331 -44.2331 -44.2045 -44.2045 -43.0451 -43.0451 -43.0189 -43.0189 -42.9966 -42.9966 -42.9952 -42.9952 0.9481 0.9481 3.0586 3.0586 3.0686 3.0686 3.4922 3.4922 3.5025 3.5025 3.7715 3.7715 3.8387 3.8387 3.8512 3.8512 4.0781 4.0781 4.3473 4.3473 4.4816 4.4816 k = 0.1652 0.2957-0.0000 ( 5396 PWs) bands (ev): -74.4526 -74.4526 -74.4510 -74.4510 -44.2330 -44.2330 -44.2047 -44.2047 -43.0450 -43.0450 -43.0191 -43.0191 -42.9966 -42.9966 -42.9952 -42.9952 1.0119 1.0119 3.0568 3.0568 3.0836 3.0836 3.4864 3.4864 3.4960 3.4960 3.7782 3.7782 3.8371 3.8371 3.8532 3.8532 4.0910 4.0910 4.3286 4.3286 4.4762 4.4762 k = 0.1721 0.3080-0.0000 ( 5392 PWs) bands (ev): -74.4518 -74.4518 -74.4511 -74.4511 -44.2328 -44.2328 -44.2048 -44.2048 -43.0448 -43.0448 -43.0193 -43.0193 -42.9966 -42.9966 -42.9951 -42.9951 1.0788 1.0788 3.0544 3.0544 3.0989 3.0989 3.4861 3.4861 3.4942 3.4942 3.7817 3.7817 3.8306 3.8306 3.8523 3.8523 4.1162 4.1162 4.3090 4.3090 4.4712 4.4712 k = 0.1789 0.3203-0.0000 ( 5408 PWs) bands (ev): -74.4535 -74.4535 -74.4523 -74.4523 -44.2327 -44.2327 -44.2051 -44.2051 -43.0447 -43.0447 -43.0195 -43.0195 -42.9966 -42.9966 -42.9952 -42.9952 1.1468 1.1468 3.0428 3.0428 3.1140 3.1140 3.4728 3.4728 3.4813 3.4813 3.7831 3.7831 3.8264 3.8264 3.8533 3.8533 4.1288 4.1288 4.2904 4.2904 4.4557 4.4557 k = 0.1858 0.3326-0.0000 ( 5412 PWs) bands (ev): -74.4542 -74.4542 -74.4523 -74.4523 -44.2325 -44.2325 -44.2053 -44.2053 -43.0445 -43.0445 -43.0197 -43.0197 -42.9966 -42.9966 -42.9952 -42.9952 1.2161 1.2161 3.0404 3.0404 3.1302 3.1302 3.4682 3.4682 3.4762 3.4762 3.7862 3.7862 3.8244 3.8244 3.8570 3.8570 4.1341 4.1341 4.2679 4.2679 4.4497 4.4497 k = 0.1927 0.3449-0.0000 ( 5420 PWs) bands (ev): -74.4570 -74.4570 -74.4510 -74.4510 -44.2323 -44.2323 -44.2056 -44.2056 -43.0443 -43.0443 -43.0199 -43.0199 -42.9966 -42.9966 -42.9953 -42.9953 1.2878 1.2878 3.0270 3.0270 3.1505 3.1505 3.4596 3.4596 3.4682 3.4682 3.7875 3.7875 3.8207 3.8207 3.8633 3.8633 4.1473 4.1473 4.2544 4.2544 4.4309 4.4309 k = 0.1996 0.3573-0.0000 ( 5420 PWs) bands (ev): -74.4570 -74.4570 -74.4510 -74.4510 -44.2321 -44.2321 -44.2058 -44.2058 -43.0441 -43.0441 -43.0202 -43.0202 -42.9965 -42.9965 -42.9953 -42.9953 1.3614 1.3614 3.0244 3.0244 3.1672 3.1672 3.4558 3.4558 3.4641 3.4641 3.7875 3.7875 3.8165 3.8165 3.8696 3.8696 4.1619 4.1619 4.2367 4.2367 4.4241 4.4241 k = 0.2065 0.3696-0.0000 ( 5420 PWs) bands (ev): -74.4569 -74.4569 -74.4511 -74.4511 -44.2319 -44.2319 -44.2060 -44.2060 -43.0439 -43.0439 -43.0204 -43.0204 -42.9965 -42.9965 -42.9953 -42.9953 1.4364 1.4364 3.0214 3.0214 3.1845 3.1845 3.4534 3.4534 3.4613 3.4613 3.7877 3.7877 3.8147 3.8147 3.8740 3.8740 4.1651 4.1651 4.2269 4.2269 4.4174 4.4174 k = 0.2133 0.3819-0.0000 ( 5428 PWs) bands (ev): -74.4583 -74.4583 -74.4512 -74.4512 -44.2317 -44.2317 -44.2063 -44.2063 -43.0438 -43.0438 -43.0206 -43.0206 -42.9965 -42.9965 -42.9954 -42.9954 1.5119 1.5119 3.0181 3.0181 3.2020 3.2020 3.4471 3.4471 3.4555 3.4555 3.7845 3.7845 3.8104 3.8104 3.8776 3.8776 4.1529 4.1529 4.2275 4.2275 4.4085 4.4085 k = 0.2202 0.3942-0.0000 ( 5428 PWs) bands (ev): -74.4583 -74.4583 -74.4513 -74.4513 -44.2314 -44.2314 -44.2065 -44.2065 -43.0436 -43.0436 -43.0209 -43.0209 -42.9964 -42.9964 -42.9954 -42.9954 1.5893 1.5893 3.0148 3.0148 3.2198 3.2198 3.4462 3.4462 3.4543 3.4543 3.7838 3.7838 3.8087 3.8087 3.8811 3.8811 4.1311 4.1311 4.2437 4.2437 4.4014 4.4014 k = 0.2271 0.4065-0.0000 ( 5428 PWs) bands (ev): -74.4582 -74.4582 -74.4513 -74.4513 -44.2312 -44.2312 -44.2068 -44.2068 -43.0434 -43.0434 -43.0211 -43.0211 -42.9964 -42.9964 -42.9954 -42.9954 1.6677 1.6677 3.0113 3.0113 3.2378 3.2378 3.4462 3.4462 3.4539 3.4539 3.7830 3.7830 3.8072 3.8072 3.8840 3.8840 4.1049 4.1049 4.2650 4.2650 4.3941 4.3941 k = 0.2340 0.4189-0.0000 ( 5448 PWs) bands (ev): -74.4589 -74.4589 -74.4542 -74.4542 -44.2311 -44.2311 -44.2070 -44.2070 -43.0433 -43.0433 -43.0214 -43.0214 -42.9963 -42.9963 -42.9954 -42.9954 1.7456 1.7456 3.0074 3.0074 3.2496 3.2496 3.4417 3.4417 3.4474 3.4474 3.7740 3.7740 3.7946 3.7946 3.8841 3.8841 4.0717 4.0717 4.2798 4.2798 4.3866 4.3866 k = 0.2409 0.4312-0.0000 ( 5440 PWs) bands (ev): -74.4588 -74.4588 -74.4529 -74.4529 -44.2308 -44.2308 -44.2073 -44.2073 -43.0431 -43.0431 -43.0217 -43.0217 -42.9963 -42.9963 -42.9954 -42.9954 1.8249 1.8249 3.0043 3.0043 3.2701 3.2701 3.4402 3.4402 3.4463 3.4463 3.7815 3.7815 3.8037 3.8037 3.8885 3.8885 4.0429 4.0429 4.3083 4.3083 4.3785 4.3785 k = 0.2478 0.4435-0.0000 ( 5440 PWs) bands (ev): -74.4588 -74.4588 -74.4530 -74.4530 -44.2306 -44.2306 -44.2076 -44.2076 -43.0429 -43.0429 -43.0219 -43.0219 -42.9962 -42.9962 -42.9954 -42.9954 1.9046 1.9046 3.0000 3.0000 3.2885 3.2885 3.4427 3.4427 3.4485 3.4485 3.7801 3.7801 3.8022 3.8022 3.8892 3.8892 4.0116 4.0116 4.3380 4.3380 4.3707 4.3707 k = 0.2546 0.4558-0.0000 ( 5436 PWs) bands (ev): -74.4583 -74.4583 -74.4528 -74.4528 -44.2303 -44.2303 -44.2078 -44.2078 -43.0427 -43.0427 -43.0222 -43.0222 -42.9962 -42.9962 -42.9954 -42.9954 1.9849 1.9849 2.9954 2.9954 3.3070 3.3070 3.4466 3.4466 3.4523 3.4523 3.7792 3.7792 3.8008 3.8008 3.8934 3.8934 3.9798 3.9798 4.3626 4.3626 4.3747 4.3747 k = 0.2615 0.4681-0.0000 ( 5452 PWs) bands (ev): -74.4590 -74.4590 -74.4550 -74.4550 -44.2301 -44.2301 -44.2081 -44.2081 -43.0425 -43.0425 -43.0225 -43.0225 -42.9961 -42.9961 -42.9954 -42.9954 2.0630 2.0630 2.9900 2.9900 3.3252 3.3252 3.4468 3.4468 3.4517 3.4517 3.7726 3.7726 3.7974 3.7974 3.8703 3.8703 3.9467 3.9467 4.3542 4.3542 4.4049 4.4049 k = 0.2684 0.4804-0.0000 ( 5452 PWs) bands (ev): -74.4589 -74.4589 -74.4551 -74.4551 -44.2299 -44.2299 -44.2084 -44.2084 -43.0422 -43.0422 -43.0228 -43.0228 -42.9961 -42.9961 -42.9954 -42.9954 2.1414 2.1414 2.9848 2.9848 3.3438 3.3438 3.4522 3.4522 3.4568 3.4568 3.7709 3.7709 3.7963 3.7963 3.8680 3.8680 3.9131 3.9131 4.3459 4.3459 4.4430 4.4430 k = 0.2753 0.4928-0.0000 ( 5452 PWs) bands (ev): -74.4574 -74.4574 -74.4567 -74.4567 -44.2296 -44.2296 -44.2086 -44.2086 -43.0421 -43.0421 -43.0230 -43.0230 -42.9960 -42.9960 -42.9954 -42.9954 2.2195 2.2195 2.9820 2.9820 3.3502 3.3502 3.4621 3.4621 3.4654 3.4654 3.7707 3.7707 3.7965 3.7965 3.8624 3.8624 3.8787 3.8787 4.3380 4.3380 4.4856 4.4856 k = 0.2822 0.5051-0.0000 ( 5452 PWs) bands (ev): -74.4573 -74.4573 -74.4568 -74.4568 -44.2294 -44.2294 -44.2089 -44.2089 -43.0418 -43.0418 -43.0233 -43.0233 -42.9960 -42.9960 -42.9954 -42.9954 2.2953 2.2953 2.9763 2.9763 3.3688 3.3688 3.4693 3.4693 3.4724 3.4724 3.7686 3.7686 3.7955 3.7955 3.8444 3.8444 3.8587 3.8587 4.3293 4.3293 4.5306 4.5306 k = 0.2891 0.5174-0.0000 ( 5452 PWs) bands (ev): -74.4572 -74.4572 -74.4569 -74.4569 -44.2291 -44.2291 -44.2092 -44.2092 -43.0416 -43.0416 -43.0236 -43.0236 -42.9959 -42.9959 -42.9954 -42.9954 2.3694 2.3694 2.9703 2.9703 3.3872 3.3872 3.4776 3.4776 3.4805 3.4805 3.7664 3.7664 3.7937 3.7937 3.8106 3.8106 3.8544 3.8544 4.3204 4.3204 4.5793 4.5793 k = 0.2959 0.5297-0.0000 ( 5452 PWs) bands (ev): -74.4571 -74.4571 -74.4570 -74.4570 -44.2288 -44.2288 -44.2095 -44.2095 -43.0414 -43.0414 -43.0239 -43.0239 -42.9959 -42.9959 -42.9953 -42.9953 2.4412 2.4412 2.9641 2.9641 3.4056 3.4056 3.4870 3.4870 3.4897 3.4897 3.7639 3.7639 3.7732 3.7732 3.7957 3.7957 3.8497 3.8497 4.3114 4.3114 4.6321 4.6321 k = 0.3028 0.5420-0.0000 ( 5452 PWs) bands (ev): -74.4570 -74.4570 -74.4569 -74.4569 -44.2286 -44.2286 -44.2098 -44.2098 -43.0412 -43.0412 -43.0242 -43.0242 -42.9959 -42.9959 -42.9953 -42.9953 2.5105 2.5105 2.9576 2.9576 3.4237 3.4237 3.4974 3.4974 3.4999 3.4999 3.7391 3.7391 3.7612 3.7612 3.7947 3.7947 3.8446 3.8446 4.3022 4.3022 4.6890 4.6890 k = 0.3097 0.5544-0.0000 ( 5452 PWs) bands (ev): -74.4571 -74.4571 -74.4568 -74.4568 -44.2283 -44.2283 -44.2101 -44.2101 -43.0409 -43.0409 -43.0245 -43.0245 -42.9958 -42.9958 -42.9953 -42.9953 2.5807 2.5807 2.9476 2.9476 3.4408 3.4408 3.5115 3.5115 3.5134 3.5134 3.7053 3.7053 3.7588 3.7588 3.7906 3.7906 3.8444 3.8444 4.2805 4.2805 4.7539 4.7539 k = 0.3166 0.5667-0.0000 ( 5444 PWs) bands (ev): -74.4567 -74.4567 -74.4558 -74.4558 -44.2280 -44.2280 -44.2104 -44.2104 -43.0407 -43.0407 -43.0247 -43.0247 -42.9958 -42.9958 -42.9953 -42.9953 2.6440 2.6440 2.9407 2.9407 3.4586 3.4586 3.5249 3.5249 3.5279 3.5279 3.6722 3.6722 3.7605 3.7605 3.7938 3.7938 3.8477 3.8477 4.2710 4.2710 4.8192 4.8192 k = 0.3235 0.5790-0.0000 ( 5456 PWs) bands (ev): -74.4576 -74.4576 -74.4570 -74.4570 -44.2277 -44.2277 -44.2107 -44.2107 -43.0404 -43.0404 -43.0250 -43.0250 -42.9958 -42.9958 -42.9953 -42.9953 2.7030 2.7030 2.9327 2.9327 3.4743 3.4743 3.5366 3.5366 3.5404 3.5404 3.6380 3.6380 3.7484 3.7484 3.7832 3.7832 3.8358 3.8358 4.2606 4.2606 4.8882 4.8882 k = 0.3303 0.5913-0.0000 ( 5456 PWs) bands (ev): -74.4575 -74.4575 -74.4572 -74.4572 -44.2274 -44.2274 -44.2110 -44.2110 -43.0402 -43.0402 -43.0253 -43.0253 -42.9957 -42.9957 -42.9953 -42.9953 2.7589 2.7589 2.9254 2.9254 3.4886 3.4886 3.5492 3.5492 3.5546 3.5546 3.6100 3.6100 3.7449 3.7449 3.7833 3.7833 3.8287 3.8287 4.2507 4.2507 4.9624 4.9624 k = 0.3372 0.6036-0.0000 ( 5456 PWs) bands (ev): -74.4573 -74.4573 -74.4573 -74.4573 -44.2271 -44.2271 -44.2114 -44.2114 -43.0399 -43.0399 -43.0256 -43.0256 -42.9957 -42.9957 -42.9953 -42.9953 2.8106 2.8106 2.9181 2.9181 3.4976 3.4976 3.5594 3.5594 3.5698 3.5698 3.5916 3.5916 3.7411 3.7411 3.7837 3.7837 3.8218 3.8218 4.2407 4.2407 5.0408 5.0408 k = 0.3441 0.6160-0.0000 ( 5476 PWs) bands (ev): -74.4600 -74.4600 -74.4581 -74.4581 -44.2268 -44.2268 -44.2117 -44.2117 -43.0397 -43.0397 -43.0260 -43.0260 -42.9957 -42.9957 -42.9954 -42.9954 2.8530 2.8530 2.9083 2.9083 3.4905 3.4905 3.5606 3.5606 3.5806 3.5806 3.5858 3.5858 3.7298 3.7298 3.7766 3.7766 3.8122 3.8122 4.2269 4.2269 5.1179 5.1179 k = 0.3510 0.6283-0.0000 ( 5452 PWs) bands (ev): -74.4571 -74.4571 -74.4567 -74.4567 -44.2265 -44.2265 -44.2120 -44.2120 -43.0394 -43.0394 -43.0262 -43.0262 -42.9956 -42.9956 -42.9953 -42.9953 2.8986 2.8986 2.9061 2.9061 3.4778 3.4778 3.5722 3.5722 3.6069 3.6069 3.6098 3.6098 3.7322 3.7322 3.7850 3.7850 3.8093 3.8093 4.2229 4.2229 5.2064 5.2064 k = 0.3579 0.6406-0.0000 ( 5460 PWs) bands (ev): -74.4580 -74.4580 -74.4573 -74.4573 -44.2262 -44.2262 -44.2123 -44.2123 -43.0391 -43.0391 -43.0265 -43.0265 -42.9956 -42.9956 -42.9953 -42.9953 2.8976 2.8976 2.9364 2.9364 3.4550 3.4550 3.5860 3.5860 3.6201 3.6201 3.6209 3.6209 3.7240 3.7240 3.7845 3.7845 3.8027 3.8027 4.2066 4.2066 5.2960 5.2960 k = 0.3648 0.6529-0.0000 ( 5456 PWs) bands (ev): -74.4576 -74.4576 -74.4570 -74.4570 -44.2259 -44.2259 -44.2126 -44.2126 -43.0389 -43.0389 -43.0268 -43.0268 -42.9955 -42.9955 -42.9952 -42.9952 2.8902 2.8902 2.9709 2.9709 3.4342 3.4342 3.6021 3.6021 3.6364 3.6364 3.6389 3.6389 3.7209 3.7209 3.7866 3.7866 3.8002 3.8002 4.1958 4.1958 5.3896 5.3896 k = 0.3716 0.6652-0.0000 ( 5460 PWs) bands (ev): -74.4578 -74.4578 -74.4575 -74.4575 -44.2256 -44.2256 -44.2130 -44.2130 -43.0386 -43.0386 -43.0272 -43.0272 -42.9955 -42.9955 -42.9952 -42.9952 2.8830 2.8830 2.9981 2.9981 3.4135 3.4135 3.6191 3.6191 3.6528 3.6528 3.6543 3.6543 3.7117 3.7117 3.7885 3.7885 3.7921 3.7921 4.1847 4.1847 5.4835 5.4835 k = 0.3785 0.6776-0.0000 ( 5432 PWs) bands (ev): -74.4560 -74.4560 -74.4544 -74.4544 -44.2252 -44.2252 -44.2133 -44.2133 -43.0383 -43.0383 -43.0274 -43.0274 -42.9954 -42.9954 -42.9952 -42.9952 2.8784 2.8784 3.0238 3.0238 3.3988 3.3988 3.6401 3.6401 3.6774 3.6774 3.6793 3.6793 3.7172 3.7172 3.8020 3.8020 3.8086 3.8086 4.1758 4.1758 5.5814 5.5814 k = 0.3854 0.6899-0.0000 ( 5436 PWs) bands (ev): -74.4566 -74.4566 -74.4546 -74.4546 -44.2249 -44.2249 -44.2136 -44.2136 -43.0380 -43.0380 -43.0277 -43.0277 -42.9953 -42.9953 -42.9952 -42.9952 2.8714 2.8714 3.0384 3.0384 3.3818 3.3818 3.6593 3.6593 3.6809 3.6809 3.6909 3.6909 3.7222 3.7222 3.7992 3.7992 3.8140 3.8140 4.1643 4.1643 5.6766 5.6766 k = 0.3923 0.7022-0.0000 ( 5436 PWs) bands (ev): -74.4565 -74.4565 -74.4547 -74.4547 -44.2246 -44.2246 -44.2139 -44.2139 -43.0377 -43.0377 -43.0280 -43.0280 -42.9953 -42.9953 -42.9952 -42.9952 2.8650 2.8650 3.0467 3.0467 3.3731 3.3731 3.6751 3.6751 3.6768 3.6768 3.7048 3.7048 3.7362 3.7362 3.8006 3.8006 3.8221 3.8221 4.1527 4.1527 5.7716 5.7716 k = 0.3992 0.7145-0.0000 ( 5468 PWs) bands (ev): -74.4600 -74.4600 -74.4570 -74.4570 -44.2243 -44.2243 -44.2143 -44.2143 -43.0375 -43.0375 -43.0284 -43.0284 -42.9954 -42.9954 -42.9953 -42.9953 2.8564 2.8564 3.0433 3.0433 3.3545 3.3545 3.6598 3.6598 3.6801 3.6801 3.7106 3.7106 3.7433 3.7433 3.8010 3.8010 3.8276 3.8276 4.1255 4.1255 5.8571 5.8571 k = 0.4061 0.7268-0.0000 ( 5460 PWs) bands (ev): -74.4585 -74.4585 -74.4572 -74.4572 -44.2239 -44.2239 -44.2147 -44.2147 -43.0372 -43.0372 -43.0287 -43.0287 -42.9953 -42.9953 -42.9952 -42.9952 2.8511 2.8511 3.0410 3.0410 3.3643 3.3643 3.6503 3.6503 3.6968 3.6968 3.7254 3.7254 3.7564 3.7564 3.8119 3.8119 3.8404 3.8404 4.1140 4.1140 5.8392 5.8393 k = 0.4061 0.7268-0.0000 ( 5460 PWs) bands (ev): -74.4585 -74.4585 -74.4572 -74.4572 -44.2239 -44.2239 -44.2147 -44.2147 -43.0372 -43.0372 -43.0287 -43.0287 -42.9953 -42.9953 -42.9952 -42.9952 2.8511 2.8511 3.0410 3.0410 3.3643 3.3643 3.6503 3.6503 3.6968 3.6968 3.7254 3.7254 3.7564 3.7564 3.8119 3.8119 3.8404 3.8404 4.1140 4.1140 5.8391 5.8391 k = 0.4027 0.7209 0.0122 ( 5462 PWs) bands (ev): -74.4594 -74.4594 -74.4566 -74.4566 -44.2241 -44.2241 -44.2145 -44.2145 -43.0373 -43.0373 -43.0285 -43.0285 -42.9956 -42.9956 -42.9950 -42.9950 2.8519 2.8519 3.0435 3.0435 3.3594 3.3594 3.6553 3.6553 3.6906 3.6906 3.7166 3.7166 3.7487 3.7487 3.8066 3.8066 3.8361 3.8361 4.1229 4.1229 5.8415 5.8415 k = 0.3994 0.7149 0.0244 ( 5456 PWs) bands (ev): -74.4588 -74.4588 -74.4561 -74.4561 -44.2242 -44.2242 -44.2143 -44.2143 -43.0375 -43.0375 -43.0283 -43.0283 -42.9959 -42.9959 -42.9947 -42.9947 2.8555 2.8555 3.0425 3.0425 3.3623 3.3623 3.6528 3.6528 3.6808 3.6808 3.7154 3.7154 3.7478 3.7478 3.8046 3.8046 3.8388 3.8388 4.1293 4.1293 5.7984 5.7984 k = 0.3961 0.7090 0.0366 ( 5457 PWs) bands (ev): -74.4584 -74.4584 -74.4566 -74.4566 -44.2244 -44.2244 -44.2142 -44.2142 -43.0376 -43.0376 -43.0281 -43.0281 -42.9962 -42.9962 -42.9945 -42.9945 2.8589 2.8589 3.0376 3.0376 3.3635 3.3635 3.6365 3.6365 3.6730 3.6730 3.7146 3.7146 3.7473 3.7473 3.8014 3.8014 3.8426 3.8426 4.1325 4.1325 5.7472 5.7472 k = 0.3928 0.7031 0.0487 ( 5457 PWs) bands (ev): -74.4583 -74.4583 -74.4567 -74.4567 -44.2245 -44.2245 -44.2140 -44.2140 -43.0377 -43.0377 -43.0279 -43.0279 -42.9965 -42.9965 -42.9943 -42.9943 2.8642 2.8642 3.0302 3.0302 3.3591 3.3591 3.6134 3.6134 3.6710 3.6710 3.7143 3.7143 3.7476 3.7476 3.8006 3.8006 3.8500 3.8500 4.1363 4.1363 5.6970 5.6970 k = 0.3895 0.6971 0.0609 ( 5451 PWs) bands (ev): -74.4576 -74.4576 -74.4563 -74.4563 -44.2246 -44.2246 -44.2139 -44.2139 -43.0378 -43.0378 -43.0276 -43.0276 -42.9969 -42.9969 -42.9941 -42.9941 2.8676 2.8676 3.0202 3.0202 3.3612 3.3612 3.5876 3.5876 3.6700 3.6700 3.7184 3.7184 3.7511 3.7511 3.8041 3.8041 3.8614 3.8614 4.1392 4.1392 5.6505 5.6505 k = 0.3861 0.6912 0.0731 ( 5445 PWs) bands (ev): -74.4571 -74.4571 -74.4557 -74.4557 -44.2247 -44.2247 -44.2138 -44.2138 -43.0379 -43.0379 -43.0273 -43.0273 -42.9972 -42.9972 -42.9939 -42.9939 2.8727 2.8727 3.0062 3.0062 3.3609 3.3609 3.5641 3.5641 3.6671 3.6671 3.7223 3.7223 3.7543 3.7543 3.8095 3.8095 3.8748 3.8748 4.1439 4.1439 5.6051 5.6051 k = 0.3828 0.6852 0.0853 ( 5450 PWs) bands (ev): -74.4577 -74.4577 -74.4560 -74.4560 -44.2249 -44.2249 -44.2136 -44.2136 -43.0380 -43.0380 -43.0270 -43.0270 -42.9976 -42.9976 -42.9938 -42.9938 2.8776 2.8776 2.9896 2.9896 3.3592 3.3592 3.5357 3.5357 3.6581 3.6581 3.7227 3.7227 3.7542 3.7542 3.8126 3.8126 3.8880 3.8880 4.1434 4.1434 5.5617 5.5617 k = 0.3795 0.6793 0.0975 ( 5456 PWs) bands (ev): -74.4579 -74.4579 -74.4569 -74.4569 -44.2250 -44.2250 -44.2135 -44.2135 -43.0381 -43.0381 -43.0267 -43.0267 -42.9980 -42.9980 -42.9936 -42.9936 2.8825 2.8825 2.9702 2.9702 3.3567 3.3567 3.5074 3.5074 3.6484 3.6484 3.7236 3.7236 3.7558 3.7558 3.8166 3.8166 3.8999 3.8999 4.1420 4.1420 5.5211 5.5211 k = 0.3762 0.6733 0.1097 ( 5460 PWs) bands (ev): -74.4583 -74.4583 -74.4572 -74.4572 -44.2251 -44.2251 -44.2134 -44.2134 -43.0382 -43.0382 -43.0263 -43.0263 -42.9984 -42.9984 -42.9935 -42.9935 2.8878 2.8878 2.9488 2.9488 3.3538 3.3538 3.4783 3.4783 3.6390 3.6390 3.7250 3.7250 3.7577 3.7577 3.8265 3.8265 3.9141 3.9141 4.1414 4.1414 5.4823 5.4823 k = 0.3729 0.6674 0.1219 ( 5459 PWs) bands (ev): -74.4580 -74.4580 -74.4573 -74.4573 -44.2251 -44.2251 -44.2133 -44.2133 -43.0382 -43.0382 -43.0260 -43.0260 -42.9988 -42.9988 -42.9934 -42.9934 2.8944 2.8944 2.9270 2.9270 3.3512 3.3512 3.4509 3.4509 3.6311 3.6311 3.7293 3.7293 3.7647 3.7647 3.8390 3.8390 3.9292 3.9292 4.1375 4.1375 5.4469 5.4469 k = 0.3695 0.6615 0.1340 ( 5455 PWs) bands (ev): -74.4576 -74.4576 -74.4569 -74.4569 -44.2252 -44.2252 -44.2133 -44.2133 -43.0383 -43.0383 -43.0256 -43.0256 -42.9992 -42.9992 -42.9933 -42.9933 2.8986 2.8986 2.9076 2.9076 3.3475 3.3475 3.4234 3.4234 3.6249 3.6249 3.7343 3.7343 3.7724 3.7724 3.8562 3.8562 3.9461 3.9461 4.1346 4.1346 5.4139 5.4139 k = 0.3662 0.6555 0.1462 ( 5453 PWs) bands (ev): -74.4573 -74.4573 -74.4569 -74.4569 -44.2252 -44.2252 -44.2132 -44.2132 -43.0383 -43.0383 -43.0253 -43.0253 -42.9996 -42.9996 -42.9933 -42.9933 2.8794 2.8794 2.9124 2.9124 3.3426 3.3426 3.3969 3.3969 3.6148 3.6148 3.7382 3.7382 3.7789 3.7789 3.8737 3.8737 3.9619 3.9619 4.1333 4.1333 5.3839 5.3839 k = 0.3629 0.6496 0.1584 ( 5455 PWs) bands (ev): -74.4577 -74.4577 -74.4568 -74.4568 -44.2253 -44.2253 -44.2131 -44.2131 -43.0383 -43.0383 -43.0249 -43.0249 -43.0000 -43.0000 -42.9933 -42.9933 2.8551 2.8551 2.9185 2.9185 3.3349 3.3349 3.3726 3.3726 3.6041 3.6041 3.7421 3.7421 3.7851 3.7851 3.8912 3.8912 3.9764 3.9764 4.1321 4.1321 5.3546 5.3546 k = 0.3596 0.6436 0.1706 ( 5453 PWs) bands (ev): -74.4571 -74.4571 -74.4570 -74.4570 -44.2253 -44.2253 -44.2131 -44.2131 -43.0383 -43.0383 -43.0245 -43.0245 -43.0005 -43.0005 -42.9932 -42.9932 2.8320 2.8320 2.9271 2.9271 3.3279 3.3279 3.3501 3.3501 3.5915 3.5915 3.7478 3.7478 3.7937 3.7937 3.9093 3.9093 3.9901 3.9901 4.1342 4.1342 5.3258 5.3258 k = 0.3562 0.6377 0.1828 ( 5449 PWs) bands (ev): -74.4568 -74.4568 -74.4565 -74.4565 -44.2253 -44.2253 -44.2130 -44.2130 -43.0382 -43.0382 -43.0241 -43.0241 -43.0009 -43.0009 -42.9932 -42.9932 2.8088 2.8088 2.9395 2.9395 3.3138 3.3138 3.3337 3.3337 3.5791 3.5791 3.7537 3.7537 3.8001 3.8001 3.9323 3.9323 4.0060 4.0060 4.1347 4.1347 5.3015 5.3015 k = 0.3529 0.6317 0.1950 ( 5447 PWs) bands (ev): -74.4567 -74.4567 -74.4562 -74.4562 -44.2253 -44.2253 -44.2130 -44.2130 -43.0381 -43.0381 -43.0238 -43.0238 -43.0013 -43.0013 -42.9932 -42.9932 2.7861 2.7861 2.9488 2.9488 3.2911 3.2911 3.3251 3.3251 3.5645 3.5645 3.7601 3.7601 3.8083 3.8083 3.9539 3.9539 4.0204 4.0204 4.1367 4.1367 5.2799 5.2799 k = 0.3496 0.6258 0.2072 ( 5449 PWs) bands (ev): -74.4568 -74.4568 -74.4565 -74.4565 -44.2253 -44.2253 -44.2130 -44.2130 -43.0381 -43.0381 -43.0234 -43.0234 -43.0017 -43.0017 -42.9933 -42.9933 2.7636 2.7636 2.9574 2.9574 3.2704 3.2704 3.3164 3.3164 3.5503 3.5503 3.7670 3.7670 3.8122 3.8122 3.9742 3.9742 4.0342 4.0342 4.1374 4.1374 5.2553 5.2553 k = 0.3463 0.6198 0.2193 ( 5447 PWs) bands (ev): -74.4566 -74.4566 -74.4563 -74.4563 -44.2253 -44.2253 -44.2130 -44.2130 -43.0379 -43.0379 -43.0230 -43.0230 -43.0021 -43.0021 -42.9934 -42.9934 2.7428 2.7428 2.9672 2.9672 3.2496 3.2496 3.3082 3.3082 3.5346 3.5346 3.7748 3.7748 3.8179 3.8179 3.9960 3.9960 4.0493 4.0493 4.1438 4.1438 5.2341 5.2341 k = 0.3430 0.6139 0.2315 ( 5443 PWs) bands (ev): -74.4564 -74.4564 -74.4557 -74.4557 -44.2253 -44.2253 -44.2130 -44.2130 -43.0378 -43.0378 -43.0227 -43.0227 -43.0025 -43.0025 -42.9935 -42.9935 2.7236 2.7236 2.9782 2.9782 3.2286 3.2286 3.2995 3.2995 3.5207 3.5207 3.7840 3.7840 3.8232 3.8232 4.0187 4.0187 4.0641 4.0641 4.1488 4.1488 5.2172 5.2172 k = 0.3396 0.6080 0.2437 ( 5451 PWs) bands (ev): -74.4570 -74.4570 -74.4565 -74.4565 -44.2252 -44.2252 -44.2130 -44.2130 -43.0377 -43.0377 -43.0224 -43.0224 -43.0029 -43.0029 -42.9936 -42.9936 2.7051 2.7051 2.9902 2.9902 3.2037 3.2037 3.2894 3.2894 3.5035 3.5035 3.7874 3.7874 3.8247 3.8247 4.0372 4.0372 4.0754 4.0754 4.1490 4.1490 5.1990 5.1990 k = 0.3363 0.6020 0.2559 ( 5452 PWs) bands (ev): -74.4570 -74.4570 -74.4567 -74.4567 -44.2252 -44.2252 -44.2131 -44.2131 -43.0375 -43.0375 -43.0220 -43.0220 -43.0033 -43.0033 -42.9937 -42.9937 2.6880 2.6880 3.0019 3.0019 3.1817 3.1817 3.2807 3.2807 3.4860 3.4860 3.7956 3.7956 3.8288 3.8288 4.0577 4.0577 4.0870 4.0870 4.1570 4.1570 5.1818 5.1818 k = 0.3330 0.5961 0.2681 ( 5447 PWs) bands (ev): -74.4568 -74.4568 -74.4560 -74.4560 -44.2251 -44.2251 -44.2131 -44.2131 -43.0373 -43.0373 -43.0217 -43.0217 -43.0037 -43.0037 -42.9938 -42.9938 2.6730 2.6730 3.0161 3.0161 3.1640 3.1640 3.2714 3.2714 3.4720 3.4720 3.8033 3.8033 3.8328 3.8328 4.0768 4.0768 4.1008 4.1008 4.1683 4.1683 5.1685 5.1685 k = 0.3297 0.5901 0.2803 ( 5450 PWs) bands (ev): -74.4570 -74.4570 -74.4563 -74.4563 -44.2250 -44.2250 -44.2132 -44.2132 -43.0371 -43.0371 -43.0214 -43.0214 -43.0041 -43.0041 -42.9939 -42.9939 2.6592 2.6592 3.0246 3.0246 3.1455 3.1455 3.2594 3.2594 3.4559 3.4559 3.8091 3.8091 3.8378 3.8378 4.0929 4.0929 4.1117 4.1117 4.1816 4.1816 5.1544 5.1544 k = 0.3264 0.5842 0.2925 ( 5446 PWs) bands (ev): -74.4567 -74.4567 -74.4559 -74.4559 -44.2249 -44.2249 -44.2133 -44.2133 -43.0369 -43.0369 -43.0212 -43.0212 -43.0044 -43.0044 -42.9941 -42.9941 2.6482 2.6482 3.0320 3.0320 3.1334 3.1334 3.2505 3.2505 3.4429 3.4429 3.8130 3.8130 3.8513 3.8513 4.1062 4.1062 4.1203 4.1203 4.1972 4.1972 5.1440 5.1440 k = 0.3230 0.5782 0.3046 ( 5450 PWs) bands (ev): -74.4574 -74.4574 -74.4560 -74.4560 -44.2248 -44.2248 -44.2134 -44.2134 -43.0367 -43.0367 -43.0209 -43.0209 -43.0048 -43.0048 -42.9943 -42.9943 2.6367 2.6367 3.0421 3.0421 3.1161 3.1161 3.2409 3.2409 3.4268 3.4268 3.8106 3.8106 3.8618 3.8618 4.1173 4.1173 4.1282 4.1282 4.2142 4.2142 5.1321 5.1321 k = 0.3197 0.5723 0.3168 ( 5446 PWs) bands (ev): -74.4570 -74.4570 -74.4556 -74.4556 -44.2246 -44.2246 -44.2135 -44.2135 -43.0364 -43.0364 -43.0207 -43.0207 -43.0050 -43.0050 -42.9945 -42.9945 2.6284 2.6284 3.0516 3.0516 3.1013 3.1013 3.2307 3.2307 3.4136 3.4136 3.8089 3.8089 3.8750 3.8750 4.1307 4.1307 4.1398 4.1398 4.2365 4.2365 5.1232 5.1232 k = 0.3164 0.5664 0.3290 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4559 -74.4559 -44.2245 -44.2245 -44.2136 -44.2136 -43.0361 -43.0361 -43.0205 -43.0205 -43.0053 -43.0053 -42.9947 -42.9947 2.6216 2.6216 3.0576 3.0576 3.0890 3.0890 3.2201 3.2201 3.4010 3.4010 3.8022 3.8022 3.8886 3.8886 4.1408 4.1408 4.1498 4.1498 4.2556 4.2556 5.1119 5.1119 k = 0.3131 0.5604 0.3412 ( 5452 PWs) bands (ev): -74.4579 -74.4579 -74.4557 -74.4557 -44.2243 -44.2243 -44.2138 -44.2138 -43.0358 -43.0358 -43.0204 -43.0204 -43.0056 -43.0056 -42.9949 -42.9949 2.6166 2.6166 3.0564 3.0564 3.0818 3.0818 3.2101 3.2101 3.3903 3.3903 3.7924 3.7924 3.9019 3.9019 4.1447 4.1447 4.1622 4.1622 4.2774 4.2774 5.1014 5.1014 k = 0.3098 0.5545 0.3534 ( 5450 PWs) bands (ev): -74.4574 -74.4574 -74.4559 -74.4559 -44.2242 -44.2242 -44.2139 -44.2139 -43.0355 -43.0355 -43.0203 -43.0203 -43.0058 -43.0058 -42.9951 -42.9951 2.6146 2.6146 3.0490 3.0490 3.0830 3.0830 3.2005 3.2005 3.3800 3.3800 3.7837 3.7837 3.9180 3.9180 4.1585 4.1585 4.1721 4.1721 4.2970 4.2970 5.0931 5.0931 k = 0.3064 0.5485 0.3656 ( 5443 PWs) bands (ev): -74.4568 -74.4568 -74.4553 -74.4553 -44.2240 -44.2240 -44.2141 -44.2141 -43.0352 -43.0352 -43.0202 -43.0202 -43.0060 -43.0060 -42.9953 -42.9953 2.6154 2.6154 3.0419 3.0419 3.0875 3.0875 3.1921 3.1921 3.3757 3.3757 3.7751 3.7751 3.9348 3.9348 4.1645 4.1645 4.1843 4.1843 4.3185 4.3185 5.0871 5.0871 k = 0.3031 0.5426 0.3778 ( 5445 PWs) bands (ev): -74.4572 -74.4572 -74.4552 -74.4552 -44.2238 -44.2238 -44.2143 -44.2143 -43.0349 -43.0349 -43.0202 -43.0202 -43.0061 -43.0061 -42.9955 -42.9955 2.6159 2.6159 3.0320 3.0320 3.0890 3.0890 3.1803 3.1803 3.3710 3.3710 3.7639 3.7639 3.9516 3.9516 4.1711 4.1711 4.1950 4.1950 4.3370 4.3370 5.0780 5.0780 k = 0.2998 0.5366 0.3899 ( 5442 PWs) bands (ev): -74.4570 -74.4570 -74.4549 -74.4549 -44.2236 -44.2236 -44.2145 -44.2145 -43.0345 -43.0345 -43.0202 -43.0202 -43.0062 -43.0062 -42.9957 -42.9957 2.6191 2.6191 3.0237 3.0237 3.0904 3.0904 3.1699 3.1699 3.3696 3.3696 3.7539 3.7539 3.9714 3.9714 4.1773 4.1773 4.2058 4.2058 4.3547 4.3547 5.0721 5.0721 k = 0.2965 0.5307 0.4021 ( 5440 PWs) bands (ev): -74.4568 -74.4568 -74.4547 -74.4547 -44.2233 -44.2233 -44.2147 -44.2147 -43.0342 -43.0342 -43.0202 -43.0202 -43.0063 -43.0063 -42.9960 -42.9960 2.6238 2.6238 3.0165 3.0165 3.0895 3.0895 3.1596 3.1596 3.3693 3.3693 3.7434 3.7434 3.9914 3.9914 4.1856 4.1856 4.2156 4.2156 4.3689 4.3689 5.0669 5.0669 k = 0.2932 0.5248 0.4143 ( 5444 PWs) bands (ev): -74.4567 -74.4567 -74.4555 -74.4555 -44.2231 -44.2231 -44.2149 -44.2149 -43.0338 -43.0338 -43.0203 -43.0203 -43.0063 -43.0063 -42.9962 -42.9962 2.6298 2.6298 3.0085 3.0085 3.0846 3.0846 3.1487 3.1487 3.3705 3.3705 3.7303 3.7303 4.0063 4.0063 4.1897 4.1897 4.2239 4.2239 4.3848 4.3848 5.0612 5.0612 k = 0.2898 0.5188 0.4265 ( 5450 PWs) bands (ev): -74.4569 -74.4569 -74.4563 -74.4563 -44.2229 -44.2229 -44.2151 -44.2151 -43.0335 -43.0335 -43.0204 -43.0204 -43.0064 -43.0064 -42.9964 -42.9964 2.6380 2.6380 3.0006 3.0006 3.0774 3.0774 3.1374 3.1374 3.3728 3.3728 3.7164 3.7164 4.0217 4.0217 4.1930 4.1930 4.2338 4.2338 4.3964 4.3964 5.0559 5.0559 k = 0.2865 0.5129 0.4387 ( 5452 PWs) bands (ev): -74.4569 -74.4569 -74.4567 -74.4567 -44.2226 -44.2226 -44.2154 -44.2154 -43.0332 -43.0332 -43.0206 -43.0206 -43.0064 -43.0064 -42.9967 -42.9967 2.6480 2.6480 2.9970 2.9970 3.0690 3.0690 3.1262 3.1262 3.3805 3.3805 3.7028 3.7028 4.0372 4.0372 4.1957 4.1957 4.2443 4.2443 4.4051 4.4051 5.0539 5.0539 k = 0.2832 0.5069 0.4509 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4564 -74.4564 -44.2223 -44.2223 -44.2156 -44.2156 -43.0328 -43.0328 -43.0207 -43.0207 -43.0064 -43.0064 -42.9969 -42.9969 2.6603 2.6603 2.9932 2.9932 3.0605 3.0605 3.1162 3.1162 3.3886 3.3886 3.6915 3.6915 4.0565 4.0565 4.1986 4.1986 4.2557 4.2557 4.4138 4.4138 5.0551 5.0551 k = 0.2799 0.5010 0.4631 ( 5454 PWs) bands (ev): -74.4570 -74.4570 -74.4568 -74.4568 -44.2221 -44.2221 -44.2159 -44.2159 -43.0324 -43.0324 -43.0209 -43.0209 -43.0063 -43.0063 -42.9971 -42.9971 2.6735 2.6735 2.9879 2.9879 3.0488 3.0488 3.1060 3.1060 3.3982 3.3982 3.6773 3.6773 4.0716 4.0716 4.1974 4.1974 4.2665 4.2665 4.4216 4.4216 5.0558 5.0558 k = 0.2766 0.4950 0.4752 ( 5448 PWs) bands (ev): -74.4569 -74.4569 -74.4558 -74.4558 -44.2218 -44.2218 -44.2162 -44.2162 -43.0321 -43.0321 -43.0211 -43.0211 -43.0063 -43.0063 -42.9973 -42.9973 2.6895 2.6895 2.9864 2.9864 3.0392 3.0392 3.0972 3.0972 3.4108 3.4108 3.6677 3.6677 4.0893 4.0893 4.2000 4.2000 4.2805 4.2805 4.4269 4.4269 5.0596 5.0596 k = 0.2732 0.4891 0.4874 ( 5446 PWs) bands (ev): -74.4569 -74.4569 -74.4555 -74.4555 -44.2214 -44.2214 -44.2165 -44.2165 -43.0317 -43.0317 -43.0213 -43.0213 -43.0062 -43.0062 -42.9975 -42.9975 2.7064 2.7064 2.9810 2.9810 3.0311 3.0311 3.0899 3.0899 3.4256 3.4256 3.6527 3.6527 4.1035 4.1035 4.1990 4.1990 4.2919 4.2919 4.4315 4.4315 5.0678 5.0678 k = 0.2699 0.4832 0.4996 ( 5441 PWs) bands (ev): -74.4559 -74.4559 -74.4555 -74.4555 -44.2211 -44.2211 -44.2168 -44.2168 -43.0314 -43.0314 -43.0215 -43.0215 -43.0062 -43.0062 -42.9976 -42.9976 2.7251 2.7251 2.9725 2.9725 3.0254 3.0254 3.0827 3.0827 3.4410 3.4410 3.6409 3.6409 4.1197 4.1197 4.1974 4.1974 4.3070 4.3070 4.4347 4.4347 5.0778 5.0778 k = 0.2666 0.4772 0.5118 ( 5443 PWs) bands (ev): -74.4560 -74.4560 -74.4557 -74.4557 -44.2208 -44.2208 -44.2172 -44.2172 -43.0311 -43.0311 -43.0217 -43.0217 -43.0061 -43.0061 -42.9978 -42.9978 2.7445 2.7445 2.9593 2.9593 3.0217 3.0217 3.0738 3.0738 3.4557 3.4557 3.6265 3.6265 4.1320 4.1320 4.1923 4.1923 4.3201 4.3201 4.4335 4.4335 5.0913 5.0913 k = 0.2633 0.4713 0.5240 ( 5445 PWs) bands (ev): -74.4563 -74.4563 -74.4558 -74.4558 -44.2204 -44.2204 -44.2175 -44.2175 -43.0309 -43.0309 -43.0219 -43.0219 -43.0061 -43.0061 -42.9979 -42.9979 2.7636 2.7636 2.9417 2.9417 3.0201 3.0201 3.0660 3.0660 3.4732 3.4732 3.6124 3.6124 4.1423 4.1423 4.1895 4.1895 4.3322 4.3322 4.4304 4.4304 5.1070 5.1070 k = 0.2600 0.4653 0.5362 ( 5439 PWs) bands (ev): -74.4557 -74.4557 -74.4553 -74.4553 -44.2201 -44.2201 -44.2178 -44.2178 -43.0306 -43.0306 -43.0220 -43.0220 -43.0061 -43.0061 -42.9980 -42.9980 2.7859 2.7859 2.9237 2.9237 3.0241 3.0241 3.0586 3.0586 3.4884 3.4884 3.6025 3.6025 4.1538 4.1538 4.1875 4.1875 4.3477 4.3477 4.4279 4.4279 5.1287 5.1287 k = 0.2566 0.4594 0.5484 ( 5447 PWs) bands (ev): -74.4566 -74.4566 -74.4559 -74.4559 -44.2197 -44.2197 -44.2182 -44.2182 -43.0305 -43.0305 -43.0222 -43.0222 -43.0061 -43.0061 -42.9981 -42.9981 2.8081 2.8081 2.9019 2.9019 3.0254 3.0254 3.0497 3.0497 3.4989 3.4989 3.5891 3.5891 4.1588 4.1588 4.1791 4.1791 4.3559 4.3559 4.4214 4.4214 5.1525 5.1525 k = 0.2533 0.4534 0.5606 ( 5453 PWs) bands (ev): -74.4569 -74.4569 -74.4566 -74.4566 -44.2194 -44.2194 -44.2186 -44.2186 -43.0304 -43.0304 -43.0223 -43.0223 -43.0061 -43.0061 -42.9981 -42.9981 2.8301 2.8301 2.8800 2.8800 3.0262 3.0262 3.0439 3.0439 3.5055 3.5055 3.5779 3.5779 4.1660 4.1660 4.1749 4.1749 4.3639 4.3639 4.4115 4.4115 5.1766 5.1766 k = 0.2500 0.4475 0.5727 ( 5452 PWs) bands (ev): -74.4566 -74.4566 -74.4566 -74.4566 -44.2190 -44.2190 -44.2189 -44.2189 -43.0304 -43.0304 -43.0223 -43.0223 -43.0060 -43.0060 -42.9981 -42.9981 2.8494 2.8494 2.8627 2.8627 3.0283 3.0283 3.0410 3.0410 3.5068 3.5068 3.5725 3.5725 4.1732 4.1732 4.1745 4.1745 4.3678 4.3678 4.4076 4.4076 5.2042 5.2042 k = 0.2500 0.4475 0.5727 ( 5452 PWs) bands (ev): -74.4566 -74.4566 -74.4566 -74.4566 -44.2190 -44.2190 -44.2189 -44.2189 -43.0304 -43.0304 -43.0223 -43.0223 -43.0060 -43.0060 -42.9981 -42.9981 2.8494 2.8494 2.8627 2.8627 3.0283 3.0283 3.0410 3.0410 3.5068 3.5068 3.5725 3.5725 4.1732 4.1732 4.1745 4.1745 4.3678 4.3678 4.4076 4.4076 5.2042 5.2042 k = 0.2414 0.4523 0.5629 ( 5450 PWs) bands (ev): -74.4567 -74.4567 -74.4562 -74.4562 -44.2194 -44.2194 -44.2185 -44.2185 -43.0304 -43.0304 -43.0222 -43.0222 -43.0061 -43.0061 -42.9981 -42.9981 2.8266 2.8266 2.8847 2.8847 3.0257 3.0257 3.0441 3.0441 3.5053 3.5053 3.5800 3.5800 4.1657 4.1657 4.1778 4.1778 4.3640 4.3640 4.4142 4.4142 5.1722 5.1722 k = 0.2328 0.4571 0.5530 ( 5444 PWs) bands (ev): -74.4560 -74.4560 -74.4559 -74.4559 -44.2198 -44.2198 -44.2181 -44.2181 -43.0305 -43.0305 -43.0221 -43.0221 -43.0061 -43.0061 -42.9980 -42.9980 2.7989 2.7989 2.9121 2.9121 3.0221 3.0221 3.0547 3.0547 3.4970 3.4970 3.5937 3.5937 4.1608 4.1608 4.1814 4.1814 4.3543 4.3543 4.4220 4.4220 5.1378 5.1378 k = 0.2241 0.4619 0.5431 ( 5438 PWs) bands (ev): -74.4555 -74.4555 -74.4553 -74.4553 -44.2203 -44.2203 -44.2176 -44.2176 -43.0307 -43.0307 -43.0219 -43.0219 -43.0061 -43.0061 -42.9979 -42.9979 2.7712 2.7712 2.9398 2.9398 3.0179 3.0179 3.0644 3.0644 3.4841 3.4841 3.6101 3.6101 4.1551 4.1551 4.1859 4.1859 4.3406 4.3406 4.4319 4.4319 5.1080 5.1080 k = 0.2155 0.4668 0.5332 ( 5444 PWs) bands (ev): -74.4561 -74.4561 -74.4558 -74.4558 -44.2207 -44.2207 -44.2172 -44.2172 -43.0310 -43.0310 -43.0217 -43.0217 -43.0061 -43.0061 -42.9978 -42.9978 2.7415 2.7415 2.9658 2.9658 3.0110 3.0110 3.0735 3.0735 3.4661 3.4661 3.6242 3.6242 4.1473 4.1473 4.1873 4.1873 4.3174 4.3174 4.4373 4.4373 5.0799 5.0799 k = 0.2069 0.4716 0.5234 ( 5448 PWs) bands (ev): -74.4566 -74.4566 -74.4561 -74.4561 -44.2211 -44.2211 -44.2168 -44.2168 -43.0314 -43.0314 -43.0215 -43.0215 -43.0062 -43.0062 -42.9977 -42.9977 2.7115 2.7115 2.9900 2.9900 3.0068 3.0068 3.0825 3.0825 3.4473 3.4473 3.6418 3.6418 4.1399 4.1399 4.1902 4.1902 4.2956 4.2956 4.4401 4.4401 5.0543 5.0543 k = 0.1983 0.4764 0.5135 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4562 -74.4562 -44.2216 -44.2216 -44.2164 -44.2164 -43.0318 -43.0318 -43.0212 -43.0212 -43.0063 -43.0063 -42.9975 -42.9975 2.6825 2.6825 2.9996 2.9996 3.0181 3.0181 3.0939 3.0939 3.4294 3.4294 3.6578 3.6578 4.1315 4.1315 4.1922 4.1922 4.2740 4.2740 4.4419 4.4419 5.0331 5.0331 k = 0.1897 0.4812 0.5036 ( 5452 PWs) bands (ev): -74.4572 -74.4572 -74.4561 -74.4561 -44.2220 -44.2220 -44.2160 -44.2160 -43.0322 -43.0322 -43.0209 -43.0209 -43.0063 -43.0063 -42.9974 -42.9974 2.6523 2.6523 2.9965 2.9965 3.0422 3.0422 3.1064 3.1064 3.4136 3.4136 3.6746 3.6746 4.1240 4.1240 4.1931 4.1931 4.2512 4.2512 4.4432 4.4432 5.0126 5.0126 k = 0.1810 0.4860 0.4937 ( 5456 PWs) bands (ev): -74.4577 -74.4577 -74.4564 -74.4564 -44.2224 -44.2224 -44.2156 -44.2156 -43.0326 -43.0326 -43.0206 -43.0206 -43.0064 -43.0064 -42.9971 -42.9971 2.6225 2.6225 2.9934 2.9934 3.0675 3.0675 3.1173 3.1173 3.3949 3.3949 3.6910 3.6910 4.1184 4.1184 4.1910 4.1910 4.2291 4.2291 4.4407 4.4407 4.9953 4.9953 k = 0.1724 0.4908 0.4839 ( 5452 PWs) bands (ev): -74.4570 -74.4570 -74.4564 -74.4564 -44.2228 -44.2228 -44.2152 -44.2152 -43.0331 -43.0331 -43.0203 -43.0203 -43.0065 -43.0065 -42.9969 -42.9969 2.5939 2.5939 2.9931 2.9931 3.0918 3.0918 3.1328 3.1328 3.3782 3.3782 3.7099 3.7099 4.1100 4.1100 4.1829 4.1829 4.2184 4.2184 4.4403 4.4403 4.9834 4.9834 k = 0.1638 0.4957 0.4740 ( 5448 PWs) bands (ev): -74.4564 -74.4564 -74.4563 -74.4563 -44.2232 -44.2232 -44.2148 -44.2148 -43.0336 -43.0336 -43.0200 -43.0200 -43.0065 -43.0065 -42.9966 -42.9966 2.5659 2.5659 2.9926 2.9926 3.1139 3.1139 3.1491 3.1491 3.3631 3.3631 3.7296 3.7296 4.1012 4.1012 4.1674 4.1674 4.2175 4.2175 4.4368 4.4368 4.9737 4.9737 k = 0.1552 0.5005 0.4641 ( 5448 PWs) bands (ev): -74.4564 -74.4564 -74.4563 -74.4563 -44.2235 -44.2235 -44.2144 -44.2144 -43.0340 -43.0340 -43.0197 -43.0197 -43.0066 -43.0066 -42.9964 -42.9964 2.5381 2.5381 2.9937 2.9937 3.1347 3.1347 3.1672 3.1672 3.3494 3.3494 3.7445 3.7445 4.0899 4.0899 4.1485 4.1485 4.2177 4.2177 4.4293 4.4293 4.9636 4.9636 k = 0.1466 0.5053 0.4542 ( 5446 PWs) bands (ev): -74.4565 -74.4565 -74.4560 -74.4560 -44.2239 -44.2239 -44.2141 -44.2141 -43.0345 -43.0345 -43.0194 -43.0194 -43.0067 -43.0067 -42.9961 -42.9961 2.5110 2.5110 2.9932 2.9932 3.1507 3.1507 3.1888 3.1888 3.3345 3.3345 3.7635 3.7635 4.0781 4.0781 4.1313 4.1313 4.2204 4.2204 4.4228 4.4228 4.9560 4.9560 k = 0.1379 0.5101 0.4444 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4561 -74.4561 -44.2242 -44.2242 -44.2137 -44.2137 -43.0349 -43.0349 -43.0192 -43.0192 -43.0067 -43.0067 -42.9959 -42.9959 2.4846 2.4846 2.9948 2.9948 3.1658 3.1658 3.2126 3.2126 3.3187 3.3187 3.7790 3.7790 4.0646 4.0646 4.1150 4.1150 4.2253 4.2253 4.4104 4.4104 4.9480 4.9480 k = 0.1293 0.5149 0.4345 ( 5440 PWs) bands (ev): -74.4561 -74.4561 -74.4553 -74.4553 -44.2246 -44.2246 -44.2134 -44.2134 -43.0354 -43.0354 -43.0189 -43.0189 -43.0068 -43.0068 -42.9956 -42.9956 2.4597 2.4597 2.9990 2.9990 3.1783 3.1783 3.2411 3.2411 3.3065 3.3065 3.7971 3.7971 4.0503 4.0503 4.1006 4.1006 4.2289 4.2289 4.3988 4.3988 4.9405 4.9405 k = 0.1207 0.5197 0.4246 ( 5438 PWs) bands (ev): -74.4560 -74.4560 -74.4551 -74.4551 -44.2249 -44.2249 -44.2131 -44.2131 -43.0358 -43.0358 -43.0187 -43.0187 -43.0068 -43.0068 -42.9954 -42.9954 2.4360 2.4360 3.0029 3.0029 3.1896 3.1896 3.2647 3.2647 3.2943 3.2943 3.8147 3.8147 4.0350 4.0350 4.0874 4.0874 4.2312 4.2312 4.3860 4.3860 4.9122 4.9122 k = 0.1121 0.5246 0.4147 ( 5442 PWs) bands (ev): -74.4560 -74.4560 -74.4558 -74.4558 -44.2252 -44.2252 -44.2128 -44.2128 -43.0362 -43.0362 -43.0185 -43.0185 -43.0068 -43.0068 -42.9951 -42.9951 2.4126 2.4126 3.0072 3.0072 3.2002 3.2002 3.2683 3.2683 3.3011 3.3011 3.8294 3.8294 4.0191 4.0191 4.0742 4.0742 4.2306 4.2306 4.3657 4.3657 4.8684 4.8684 k = 0.1034 0.5294 0.4049 ( 5436 PWs) bands (ev): -74.4555 -74.4555 -74.4552 -74.4552 -44.2254 -44.2254 -44.2125 -44.2125 -43.0365 -43.0365 -43.0183 -43.0183 -43.0069 -43.0069 -42.9949 -42.9949 2.3906 2.3906 3.0130 3.0130 3.2098 3.2098 3.2579 3.2579 3.3282 3.3282 3.8487 3.8487 4.0061 4.0061 4.0650 4.0650 4.2322 4.2322 4.3494 4.3494 4.8288 4.8288 k = 0.0948 0.5342 0.3950 ( 5434 PWs) bands (ev): -74.4553 -74.4553 -74.4551 -74.4551 -44.2257 -44.2257 -44.2123 -44.2123 -43.0369 -43.0369 -43.0181 -43.0181 -43.0069 -43.0069 -42.9946 -42.9946 2.3701 2.3701 3.0184 3.0184 3.2177 3.2177 3.2455 3.2455 3.3581 3.3581 3.8645 3.8645 3.9910 3.9910 4.0526 4.0526 4.2346 4.2346 4.3299 4.3299 4.7921 4.7921 k = 0.0862 0.5390 0.3851 ( 5434 PWs) bands (ev): -74.4559 -74.4559 -74.4545 -74.4545 -44.2259 -44.2259 -44.2121 -44.2121 -43.0372 -43.0372 -43.0180 -43.0180 -43.0069 -43.0069 -42.9945 -42.9945 2.3507 2.3507 3.0234 3.0234 3.2203 3.2203 3.2386 3.2386 3.3875 3.3875 3.8767 3.8767 3.9785 3.9785 4.0417 4.0417 4.2339 4.2339 4.3082 4.3082 4.7610 4.7610 k = 0.0776 0.5438 0.3752 ( 5438 PWs) bands (ev): -74.4563 -74.4563 -74.4548 -74.4548 -44.2261 -44.2261 -44.2118 -44.2118 -43.0375 -43.0375 -43.0178 -43.0178 -43.0069 -43.0069 -42.9943 -42.9943 2.3328 2.3328 3.0283 3.0283 3.2112 3.2112 3.2405 3.2405 3.4182 3.4182 3.8860 3.8860 3.9627 3.9627 4.0288 4.0288 4.2335 4.2335 4.2857 4.2857 4.7314 4.7314 k = 0.0690 0.5486 0.3654 ( 5432 PWs) bands (ev): -74.4565 -74.4565 -74.4536 -74.4536 -44.2263 -44.2263 -44.2117 -44.2117 -43.0378 -43.0378 -43.0177 -43.0177 -43.0069 -43.0069 -42.9941 -42.9941 2.3169 2.3169 3.0393 3.0393 3.2012 3.2012 3.2494 3.2494 3.4487 3.4487 3.8925 3.8925 3.9522 3.9522 4.0218 4.0218 4.2343 4.2343 4.2645 4.2645 4.7088 4.7088 k = 0.0603 0.5534 0.3555 ( 5434 PWs) bands (ev): -74.4565 -74.4565 -74.4538 -74.4538 -44.2265 -44.2265 -44.2115 -44.2115 -43.0380 -43.0380 -43.0176 -43.0176 -43.0069 -43.0069 -42.9939 -42.9939 2.3026 2.3026 3.0447 3.0447 3.1879 3.1879 3.2547 3.2547 3.4801 3.4801 3.8895 3.8895 3.9419 3.9419 4.0153 4.0153 4.2343 4.2343 4.2457 4.2457 4.6883 4.6883 k = 0.0517 0.5583 0.3456 ( 5426 PWs) bands (ev): -74.4561 -74.4561 -74.4528 -74.4528 -44.2266 -44.2266 -44.2113 -44.2113 -43.0382 -43.0382 -43.0175 -43.0175 -43.0069 -43.0069 -42.9938 -42.9938 2.2903 2.2903 3.0564 3.0564 3.1810 3.1810 3.2623 3.2623 3.5130 3.5130 3.8795 3.8795 3.9372 3.9372 4.0146 4.0146 4.2211 4.2211 4.2406 4.2406 4.6745 4.6745 k = 0.0431 0.5631 0.3357 ( 5430 PWs) bands (ev): -74.4565 -74.4565 -74.4531 -74.4531 -44.2268 -44.2268 -44.2112 -44.2112 -43.0384 -43.0384 -43.0175 -43.0175 -43.0069 -43.0069 -42.9937 -42.9937 2.2794 2.2794 3.0628 3.0628 3.1688 3.1688 3.2660 3.2660 3.5452 3.5452 3.8616 3.8616 3.9313 3.9313 4.0142 4.0142 4.1998 4.1998 4.2397 4.2397 4.6603 4.6603 k = 0.0345 0.5679 0.3259 ( 5430 PWs) bands (ev): -74.4563 -74.4563 -74.4533 -74.4533 -44.2269 -44.2269 -44.2111 -44.2111 -43.0386 -43.0386 -43.0174 -43.0174 -43.0069 -43.0069 -42.9936 -42.9936 2.2706 2.2706 3.0706 3.0706 3.1553 3.1553 3.2692 3.2692 3.5797 3.5797 3.8387 3.8387 3.9269 3.9269 4.0203 4.0203 4.1811 4.1811 4.2431 4.2431 4.6497 4.6497 k = 0.0259 0.5727 0.3160 ( 5426 PWs) bands (ev): -74.4562 -74.4562 -74.4527 -74.4527 -44.2270 -44.2270 -44.2110 -44.2110 -43.0387 -43.0387 -43.0174 -43.0174 -43.0069 -43.0069 -42.9935 -42.9935 2.2643 2.2643 3.0810 3.0810 3.1443 3.1443 3.2726 3.2726 3.6141 3.6141 3.8126 3.8126 3.9276 3.9276 4.0278 4.0278 4.1668 4.1668 4.2433 4.2433 4.6430 4.6430 k = 0.0172 0.5775 0.3061 ( 5436 PWs) bands (ev): -74.4567 -74.4567 -74.4540 -74.4540 -44.2270 -44.2270 -44.2110 -44.2110 -43.0388 -43.0388 -43.0174 -43.0174 -43.0069 -43.0069 -42.9934 -42.9934 2.2592 2.2592 3.0872 3.0872 3.1295 3.1295 3.2735 3.2735 3.6472 3.6472 3.7819 3.7819 3.9209 3.9209 4.0325 4.0325 4.1475 4.1475 4.2423 4.2423 4.6336 4.6336 k = 0.0086 0.5823 0.2962 ( 5436 PWs) bands (ev): -74.4567 -74.4567 -74.4539 -74.4539 -44.2271 -44.2271 -44.2109 -44.2109 -43.0389 -43.0389 -43.0173 -43.0173 -43.0069 -43.0069 -42.9934 -42.9934 2.2564 2.2564 3.0951 3.0951 3.1207 3.1207 3.2750 3.2750 3.6815 3.6815 3.7514 3.7514 3.9191 3.9191 4.0391 4.0391 4.1362 4.1362 4.2415 4.2415 4.6300 4.6300 k = 0.0000 0.5872 0.2864 ( 5436 PWs) bands (ev): -74.4565 -74.4565 -74.4542 -74.4542 -44.2271 -44.2271 -44.2109 -44.2109 -43.0389 -43.0389 -43.0173 -43.0173 -43.0069 -43.0069 -42.9934 -42.9934 2.2554 2.2554 3.1005 3.1005 3.1150 3.1150 3.2750 3.2750 3.7081 3.7081 3.7251 3.7251 3.9142 3.9142 4.0429 4.0429 4.1367 4.1367 4.2439 4.2439 4.6273 4.6273 k = 0.0000 0.5872 0.2864 ( 5436 PWs) bands (ev): -74.4565 -74.4565 -74.4542 -74.4542 -44.2271 -44.2271 -44.2109 -44.2109 -43.0389 -43.0389 -43.0173 -43.0173 -43.0069 -43.0069 -42.9934 -42.9934 2.2554 2.2554 3.1005 3.1005 3.1150 3.1150 3.2750 3.2750 3.7081 3.7081 3.7251 3.7251 3.9142 3.9142 4.0429 4.0429 4.1367 4.1367 4.2439 4.2439 4.6273 4.6273 k =-0.0110 0.5834 0.2941 ( 5434 PWs) bands (ev): -74.4569 -74.4569 -74.4535 -74.4535 -44.2271 -44.2271 -44.2109 -44.2109 -43.0389 -43.0389 -43.0174 -43.0174 -43.0069 -43.0069 -42.9934 -42.9934 2.2564 2.2564 3.1048 3.1048 3.1113 3.1113 3.2775 3.2775 3.7062 3.7062 3.7264 3.7264 3.9135 3.9135 4.0402 4.0402 4.1370 4.1370 4.2451 4.2451 4.6317 4.6317 k =-0.0219 0.5796 0.3018 ( 5436 PWs) bands (ev): -74.4574 -74.4574 -74.4533 -74.4533 -44.2271 -44.2271 -44.2109 -44.2109 -43.0389 -43.0389 -43.0174 -43.0174 -43.0068 -43.0068 -42.9934 -42.9934 2.2597 2.2597 3.1063 3.1063 3.1086 3.1086 3.2788 3.2788 3.7061 3.7061 3.7251 3.7251 3.9147 3.9147 4.0314 4.0314 4.1364 4.1364 4.2490 4.2490 4.6329 4.6329 k =-0.0329 0.5758 0.3096 ( 5439 PWs) bands (ev): -74.4574 -74.4574 -74.4539 -74.4539 -44.2271 -44.2271 -44.2110 -44.2110 -43.0389 -43.0389 -43.0176 -43.0176 -43.0067 -43.0067 -42.9934 -42.9934 2.2651 2.2651 3.1035 3.1035 3.1067 3.1067 3.2806 3.2806 3.7044 3.7044 3.7254 3.7254 3.9141 3.9141 4.0189 4.0189 4.1363 4.1363 4.2583 4.2583 4.6338 4.6338 k =-0.0439 0.5721 0.3173 ( 5435 PWs) bands (ev): -74.4570 -74.4570 -74.4536 -74.4536 -44.2271 -44.2271 -44.2110 -44.2110 -43.0389 -43.0389 -43.0177 -43.0177 -43.0065 -43.0065 -42.9934 -42.9934 2.2729 2.2729 3.1018 3.1018 3.1083 3.1083 3.2856 3.2856 3.7030 3.7030 3.7271 3.7271 3.9137 3.9137 4.0057 4.0057 4.1402 4.1402 4.2706 4.2706 4.6382 4.6382 k =-0.0549 0.5683 0.3251 ( 5439 PWs) bands (ev): -74.4572 -74.4572 -74.4541 -74.4541 -44.2271 -44.2271 -44.2110 -44.2110 -43.0389 -43.0389 -43.0179 -43.0179 -43.0064 -43.0064 -42.9933 -42.9933 2.2828 2.2828 3.1000 3.1000 3.1128 3.1128 3.2867 3.2867 3.7001 3.7001 3.7268 3.7268 3.9095 3.9095 3.9887 3.9887 4.1397 4.1397 4.2794 4.2794 4.6411 4.6411 k =-0.0658 0.5645 0.3328 ( 5447 PWs) bands (ev): -74.4582 -74.4582 -74.4545 -74.4545 -44.2270 -44.2270 -44.2110 -44.2110 -43.0390 -43.0390 -43.0182 -43.0182 -43.0061 -43.0061 -42.9933 -42.9933 2.2943 2.2943 3.0909 3.0909 3.1184 3.1184 3.2898 3.2898 3.6959 3.6959 3.7234 3.7234 3.9033 3.9033 3.9709 3.9709 4.1403 4.1403 4.2840 4.2840 4.6511 4.6511 k =-0.0768 0.5607 0.3405 ( 5449 PWs) bands (ev): -74.4582 -74.4582 -74.4549 -74.4549 -44.2270 -44.2270 -44.2111 -44.2111 -43.0390 -43.0390 -43.0184 -43.0184 -43.0059 -43.0059 -42.9933 -42.9933 2.3084 2.3084 3.0864 3.0864 3.1229 3.1229 3.2946 3.2946 3.6925 3.6925 3.7225 3.7225 3.8969 3.8969 3.9562 3.9562 4.1432 4.1432 4.2875 4.2875 4.6657 4.6657 k =-0.0878 0.5570 0.3483 ( 5448 PWs) bands (ev): -74.4582 -74.4582 -74.4547 -74.4547 -44.2270 -44.2270 -44.2111 -44.2111 -43.0390 -43.0390 -43.0187 -43.0187 -43.0056 -43.0056 -42.9933 -42.9933 2.3250 2.3250 3.0793 3.0793 3.1258 3.1258 3.2993 3.2993 3.6924 3.6924 3.7252 3.7252 3.8889 3.8889 3.9446 3.9446 4.1449 4.1449 4.2884 4.2884 4.6891 4.6891 k =-0.0988 0.5532 0.3560 ( 5445 PWs) bands (ev): -74.4581 -74.4581 -74.4543 -74.4543 -44.2270 -44.2270 -44.2111 -44.2111 -43.0390 -43.0390 -43.0190 -43.0190 -43.0053 -43.0053 -42.9933 -42.9933 2.3432 2.3432 3.0726 3.0726 3.1374 3.1374 3.3069 3.3069 3.6899 3.6899 3.7262 3.7262 3.8808 3.8808 3.9328 3.9328 4.1472 4.1472 4.2851 4.2851 4.7143 4.7143 k =-0.1097 0.5494 0.3638 ( 5447 PWs) bands (ev): -74.4581 -74.4581 -74.4547 -74.4547 -44.2269 -44.2269 -44.2112 -44.2112 -43.0390 -43.0390 -43.0194 -43.0194 -43.0049 -43.0049 -42.9932 -42.9932 2.3632 2.3632 3.0669 3.0669 3.1479 3.1479 3.3101 3.3101 3.6871 3.6871 3.7271 3.7271 3.8711 3.8711 3.9215 3.9215 4.1459 4.1459 4.2753 4.2753 4.7439 4.7439 k =-0.1207 0.5456 0.3715 ( 5449 PWs) bands (ev): -74.4577 -74.4577 -74.4555 -74.4555 -44.2269 -44.2269 -44.2112 -44.2112 -43.0391 -43.0391 -43.0197 -43.0197 -43.0046 -43.0046 -42.9932 -42.9932 2.3856 2.3856 3.0589 3.0589 3.1571 3.1571 3.3108 3.3108 3.6831 3.6831 3.7278 3.7278 3.8589 3.8589 3.9103 3.9103 4.1508 4.1508 4.2684 4.2684 4.7790 4.7790 k =-0.1317 0.5419 0.3792 ( 5443 PWs) bands (ev): -74.4567 -74.4567 -74.4554 -74.4554 -44.2269 -44.2269 -44.2113 -44.2113 -43.0391 -43.0391 -43.0200 -43.0200 -43.0042 -43.0042 -42.9932 -42.9932 2.4096 2.4096 3.0529 3.0529 3.1727 3.1727 3.3180 3.3180 3.6814 3.6814 3.7321 3.7321 3.8471 3.8471 3.9024 3.9024 4.1569 4.1569 4.2523 4.2523 4.8169 4.8169 k =-0.1427 0.5381 0.3870 ( 5446 PWs) bands (ev): -74.4568 -74.4568 -74.4559 -74.4559 -44.2268 -44.2268 -44.2113 -44.2113 -43.0391 -43.0391 -43.0204 -43.0204 -43.0039 -43.0039 -42.9932 -42.9932 2.4343 2.4343 3.0447 3.0447 3.1847 3.1847 3.3252 3.3252 3.6780 3.6780 3.7327 3.7327 3.8339 3.8339 3.8958 3.8958 4.1576 4.1576 4.2323 4.2323 4.8556 4.8556 k =-0.1536 0.5343 0.3947 ( 5449 PWs) bands (ev): -74.4569 -74.4569 -74.4563 -74.4563 -44.2268 -44.2268 -44.2114 -44.2114 -43.0391 -43.0391 -43.0208 -43.0208 -43.0035 -43.0035 -42.9931 -42.9931 2.4610 2.4610 3.0378 3.0378 3.1960 3.1960 3.3317 3.3317 3.6756 3.6756 3.7319 3.7319 3.8198 3.8198 3.8883 3.8883 4.1568 4.1568 4.2129 4.2129 4.8965 4.8965 k =-0.1646 0.5305 0.4025 ( 5452 PWs) bands (ev): -74.4574 -74.4574 -74.4564 -74.4564 -44.2267 -44.2267 -44.2115 -44.2115 -43.0391 -43.0391 -43.0212 -43.0212 -43.0031 -43.0031 -42.9931 -42.9931 2.4885 2.4885 3.0278 3.0278 3.2119 3.2119 3.3384 3.3384 3.6721 3.6721 3.7320 3.7320 3.8041 3.8041 3.8813 3.8813 4.1597 4.1597 4.1918 4.1918 4.9357 4.9357 k =-0.1756 0.5268 0.4102 ( 5452 PWs) bands (ev): -74.4573 -74.4573 -74.4565 -74.4565 -44.2267 -44.2267 -44.2116 -44.2116 -43.0391 -43.0391 -43.0216 -43.0216 -43.0028 -43.0028 -42.9931 -42.9931 2.5184 2.5184 3.0188 3.0188 3.2269 3.2269 3.3440 3.3440 3.6707 3.6707 3.7320 3.7320 3.7916 3.7916 3.8739 3.8739 4.1596 4.1596 4.1744 4.1744 4.9769 4.9769 k =-0.1866 0.5230 0.4179 ( 5449 PWs) bands (ev): -74.4572 -74.4572 -74.4560 -74.4560 -44.2266 -44.2266 -44.2116 -44.2116 -43.0391 -43.0391 -43.0219 -43.0219 -43.0023 -43.0023 -42.9931 -42.9931 2.5496 2.5496 3.0119 3.0119 3.2446 3.2446 3.3526 3.3526 3.6708 3.6708 3.7312 3.7312 3.7811 3.7811 3.8674 3.8674 4.1510 4.1510 4.1613 4.1613 5.0152 5.0152 k =-0.1975 0.5192 0.4257 ( 5451 PWs) bands (ev): -74.4576 -74.4576 -74.4561 -74.4561 -44.2265 -44.2265 -44.2117 -44.2117 -43.0391 -43.0391 -43.0223 -43.0223 -43.0020 -43.0020 -42.9931 -42.9931 2.5806 2.5806 3.0052 3.0052 3.2638 3.2638 3.3581 3.3581 3.6690 3.6690 3.7300 3.7300 3.7688 3.7688 3.8610 3.8610 4.1272 4.1272 4.1582 4.1582 5.0500 5.0500 k =-0.2085 0.5154 0.4334 ( 5453 PWs) bands (ev): -74.4577 -74.4577 -74.4563 -74.4563 -44.2265 -44.2265 -44.2118 -44.2118 -43.0391 -43.0391 -43.0227 -43.0227 -43.0016 -43.0016 -42.9931 -42.9931 2.6128 2.6128 2.9930 2.9930 3.2834 3.2834 3.3621 3.3621 3.6684 3.6684 3.7302 3.7302 3.7588 3.7588 3.8569 3.8569 4.1012 4.1012 4.1587 4.1587 5.0823 5.0823 k =-0.2195 0.5117 0.4412 ( 5454 PWs) bands (ev): -74.4581 -74.4581 -74.4561 -74.4561 -44.2264 -44.2264 -44.2120 -44.2120 -43.0391 -43.0391 -43.0231 -43.0231 -43.0012 -43.0012 -42.9932 -42.9932 2.6454 2.6454 2.9836 2.9836 3.3038 3.3038 3.3677 3.3677 3.6671 3.6671 3.7272 3.7272 3.7493 3.7493 3.8505 3.8505 4.0793 4.0793 4.1593 4.1593 5.1134 5.1134 k =-0.2305 0.5079 0.4489 ( 5462 PWs) bands (ev): -74.4586 -74.4586 -74.4570 -74.4570 -44.2263 -44.2263 -44.2121 -44.2121 -43.0391 -43.0391 -43.0236 -43.0236 -43.0008 -43.0008 -42.9932 -42.9932 2.6783 2.6783 2.9712 2.9712 3.3223 3.3223 3.3706 3.3706 3.6642 3.6642 3.7209 3.7209 3.7398 3.7398 3.8441 3.8441 4.0515 4.0515 4.1627 4.1627 5.1431 5.1431 k =-0.2414 0.5041 0.4566 ( 5458 PWs) bands (ev): -74.4583 -74.4583 -74.4566 -74.4566 -44.2262 -44.2262 -44.2122 -44.2122 -43.0390 -43.0390 -43.0240 -43.0240 -43.0004 -43.0004 -42.9932 -42.9932 2.7117 2.7117 2.9655 2.9655 3.3455 3.3455 3.3781 3.3781 3.6631 3.6631 3.7152 3.7152 3.7345 3.7345 3.8383 3.8383 4.0312 4.0312 4.1644 4.1644 5.1767 5.1767 k =-0.2524 0.5003 0.4644 ( 5454 PWs) bands (ev): -74.4579 -74.4579 -74.4563 -74.4563 -44.2261 -44.2261 -44.2123 -44.2123 -43.0390 -43.0390 -43.0243 -43.0243 -43.0000 -43.0000 -42.9933 -42.9933 2.7443 2.7443 2.9595 2.9595 3.3647 3.3647 3.3866 3.3866 3.6639 3.6639 3.7094 3.7094 3.7356 3.7356 3.8330 3.8330 4.0111 4.0111 4.1646 4.1646 5.2101 5.2101 k =-0.2634 0.4966 0.4721 ( 5454 PWs) bands (ev): -74.4582 -74.4582 -74.4561 -74.4561 -44.2260 -44.2260 -44.2124 -44.2124 -43.0389 -43.0389 -43.0247 -43.0247 -42.9996 -42.9996 -42.9933 -42.9933 2.7765 2.7765 2.9517 2.9517 3.3751 3.3751 3.4012 3.4012 3.6614 3.6614 3.7074 3.7074 3.7343 3.7343 3.8289 3.8289 3.9886 3.9886 4.1641 4.1641 5.2446 5.2446 k =-0.2744 0.4928 0.4799 ( 5451 PWs) bands (ev): -74.4577 -74.4577 -74.4561 -74.4561 -44.2259 -44.2259 -44.2126 -44.2126 -43.0388 -43.0388 -43.0251 -43.0251 -42.9992 -42.9992 -42.9934 -42.9934 2.8071 2.8071 2.9476 2.9476 3.3799 3.3799 3.4236 3.4236 3.6614 3.6614 3.7011 3.7011 3.7353 3.7353 3.8244 3.8244 3.9675 3.9675 4.1665 4.1665 5.2815 5.2815 k =-0.2853 0.4890 0.4876 ( 5448 PWs) bands (ev): -74.4573 -74.4573 -74.4560 -74.4560 -44.2257 -44.2257 -44.2127 -44.2127 -43.0387 -43.0387 -43.0254 -43.0254 -42.9988 -42.9988 -42.9934 -42.9934 2.8352 2.8352 2.9461 2.9461 3.3824 3.3824 3.4477 3.4477 3.6586 3.6586 3.6981 3.6981 3.7364 3.7364 3.8215 3.8215 3.9480 3.9480 4.1661 4.1661 5.3217 5.3217 k =-0.2963 0.4852 0.4953 ( 5445 PWs) bands (ev): -74.4574 -74.4574 -74.4554 -74.4554 -44.2256 -44.2256 -44.2128 -44.2128 -43.0386 -43.0386 -43.0258 -43.0258 -42.9984 -42.9984 -42.9935 -42.9935 2.8581 2.8581 2.9454 2.9454 3.3833 3.3833 3.4729 3.4729 3.6578 3.6578 3.6993 3.6993 3.7370 3.7370 3.8203 3.8203 3.9298 3.9298 4.1647 4.1647 5.3635 5.3635 k =-0.3073 0.4815 0.5031 ( 5447 PWs) bands (ev): -74.4575 -74.4575 -74.4557 -74.4557 -44.2255 -44.2255 -44.2130 -44.2130 -43.0385 -43.0385 -43.0262 -43.0262 -42.9981 -42.9981 -42.9936 -42.9936 2.8720 2.8720 2.9529 2.9529 3.3816 3.3816 3.4979 3.4979 3.6572 3.6572 3.6976 3.6976 3.7376 3.7376 3.8157 3.8157 3.9095 3.9095 4.1631 4.1631 5.4071 5.4071 k =-0.3183 0.4777 0.5108 ( 5449 PWs) bands (ev): -74.4573 -74.4573 -74.4562 -74.4562 -44.2253 -44.2253 -44.2131 -44.2131 -43.0384 -43.0384 -43.0265 -43.0265 -42.9977 -42.9977 -42.9937 -42.9937 2.8772 2.8772 2.9670 2.9670 3.3792 3.3792 3.5207 3.5207 3.6581 3.6581 3.6995 3.6995 3.7376 3.7376 3.8112 3.8112 3.8911 3.8911 4.1607 4.1607 5.4534 5.4534 k =-0.3292 0.4739 0.5186 ( 5447 PWs) bands (ev): -74.4574 -74.4574 -74.4558 -74.4558 -44.2252 -44.2252 -44.2133 -44.2133 -43.0383 -43.0383 -43.0268 -43.0268 -42.9974 -42.9974 -42.9939 -42.9939 2.8774 2.8774 2.9850 2.9850 3.3768 3.3768 3.5476 3.5476 3.6608 3.6608 3.7009 3.7009 3.7378 3.7378 3.8081 3.8081 3.8760 3.8760 4.1595 4.1595 5.5039 5.5039 k =-0.3402 0.4701 0.5263 ( 5452 PWs) bands (ev): -74.4579 -74.4579 -74.4562 -74.4562 -44.2250 -44.2250 -44.2135 -44.2135 -43.0382 -43.0382 -43.0271 -43.0271 -42.9970 -42.9970 -42.9940 -42.9940 2.8746 2.8746 3.0023 3.0023 3.3735 3.3735 3.5724 3.5724 3.6600 3.6600 3.7006 3.7006 3.7369 3.7369 3.8043 3.8043 3.8610 3.8610 4.1543 4.1543 5.5560 5.5560 k =-0.3512 0.4664 0.5340 ( 5454 PWs) bands (ev): -74.4581 -74.4581 -74.4564 -74.4564 -44.2249 -44.2249 -44.2137 -44.2137 -43.0380 -43.0380 -43.0275 -43.0275 -42.9967 -42.9967 -42.9942 -42.9942 2.8708 2.8708 3.0181 3.0181 3.3706 3.3706 3.5971 3.5971 3.6625 3.6625 3.7022 3.7022 3.7371 3.7371 3.8016 3.8016 3.8477 3.8477 4.1504 4.1504 5.6119 5.6119 k =-0.3622 0.4626 0.5418 ( 5450 PWs) bands (ev): -74.4577 -74.4577 -74.4560 -74.4560 -44.2247 -44.2247 -44.2138 -44.2138 -43.0379 -43.0379 -43.0277 -43.0277 -42.9964 -42.9964 -42.9944 -42.9944 2.8675 2.8675 3.0307 3.0307 3.3692 3.3692 3.6220 3.6220 3.6686 3.6686 3.7054 3.7054 3.7406 3.7406 3.8008 3.8008 3.8401 3.8401 4.1465 4.1465 5.6709 5.6709 k =-0.3731 0.4588 0.5495 ( 5448 PWs) bands (ev): -74.4578 -74.4578 -74.4556 -74.4556 -44.2245 -44.2245 -44.2140 -44.2140 -43.0377 -43.0377 -43.0280 -43.0280 -42.9961 -42.9961 -42.9946 -42.9946 2.8632 2.8632 3.0396 3.0396 3.3670 3.3670 3.6458 3.6458 3.6732 3.6732 3.7102 3.7102 3.7440 3.7440 3.8018 3.8018 3.8360 3.8360 4.1393 4.1393 5.7313 5.7313 k =-0.3841 0.4550 0.5573 ( 5456 PWs) bands (ev): -74.4590 -74.4590 -74.4559 -74.4559 -44.2243 -44.2243 -44.2143 -44.2143 -43.0375 -43.0375 -43.0283 -43.0283 -42.9958 -42.9958 -42.9948 -42.9948 2.8576 2.8576 3.0428 3.0428 3.3599 3.3599 3.6574 3.6574 3.6782 3.6782 3.7128 3.7128 3.7458 3.7458 3.8033 3.8033 3.8343 3.8343 4.1308 4.1308 5.7910 5.7910 k =-0.3951 0.4513 0.5650 ( 5462 PWs) bands (ev): -74.4593 -74.4593 -74.4567 -74.4567 -44.2241 -44.2241 -44.2145 -44.2145 -43.0374 -43.0374 -43.0285 -43.0285 -42.9955 -42.9955 -42.9950 -42.9950 2.8539 2.8539 3.0439 3.0439 3.3596 3.3596 3.6565 3.6565 3.6879 3.6879 3.7156 3.7156 3.7481 3.7481 3.8046 3.8046 3.8335 3.8335 4.1238 4.1238 5.8443 5.8443 k =-0.4061 0.4475 0.5727 ( 5460 PWs) bands (ev): -74.4585 -74.4585 -74.4572 -74.4572 -44.2239 -44.2239 -44.2147 -44.2147 -43.0372 -43.0372 -43.0287 -43.0287 -42.9953 -42.9953 -42.9952 -42.9952 2.8511 2.8511 3.0410 3.0410 3.3643 3.3643 3.6503 3.6503 3.6968 3.6968 3.7254 3.7254 3.7564 3.7564 3.8119 3.8119 3.8404 3.8404 4.1140 4.1140 5.8391 5.8391 k =-0.4061 0.4475 0.5727 ( 5460 PWs) bands (ev): -74.4585 -74.4585 -74.4572 -74.4572 -44.2239 -44.2239 -44.2147 -44.2147 -43.0372 -43.0372 -43.0287 -43.0287 -42.9953 -42.9953 -42.9952 -42.9952 2.8511 2.8511 3.0410 3.0410 3.3643 3.3643 3.6503 3.6503 3.6968 3.6968 3.7254 3.7254 3.7564 3.7564 3.8119 3.8119 3.8404 3.8404 4.1140 4.1140 5.8391 5.8391 k =-0.4128 0.4355 0.5727 ( 5476 PWs) bands (ev): -74.4606 -74.4606 -74.4580 -74.4580 -44.2236 -44.2236 -44.2150 -44.2150 -43.0369 -43.0369 -43.0291 -43.0291 -42.9953 -42.9953 -42.9952 -42.9952 2.8401 2.8401 3.0320 3.0320 3.3671 3.3671 3.6386 3.6386 3.7068 3.7068 3.7281 3.7281 3.7545 3.7545 3.8256 3.8256 3.8532 3.8532 4.0945 4.0945 5.7742 5.7742 k =-0.4195 0.4235 0.5727 ( 5476 PWs) bands (ev): -74.4605 -74.4605 -74.4582 -74.4582 -44.2233 -44.2233 -44.2153 -44.2153 -43.0367 -43.0367 -43.0294 -43.0294 -42.9953 -42.9953 -42.9952 -42.9952 2.8361 2.8361 3.0205 3.0205 3.3738 3.3738 3.6287 3.6287 3.7194 3.7194 3.7384 3.7384 3.7568 3.7568 3.8441 3.8441 3.8696 3.8696 4.0827 4.0827 5.7132 5.7132 k =-0.4262 0.4115 0.5727 ( 5468 PWs) bands (ev): -74.4590 -74.4590 -74.4583 -74.4583 -44.2230 -44.2230 -44.2157 -44.2157 -43.0364 -43.0364 -43.0297 -43.0297 -42.9953 -42.9953 -42.9952 -42.9952 2.8349 2.8349 3.0069 3.0069 3.3827 3.3827 3.6189 3.6189 3.7313 3.7313 3.7540 3.7540 3.7626 3.7626 3.8660 3.8660 3.8880 3.8880 4.0754 4.0754 5.6564 5.6564 k =-0.4329 0.3994 0.5727 ( 5456 PWs) bands (ev): -74.4590 -74.4590 -74.4562 -74.4562 -44.2226 -44.2226 -44.2160 -44.2160 -43.0360 -43.0360 -43.0300 -43.0300 -42.9952 -42.9952 -42.9951 -42.9951 2.8326 2.8326 2.9933 2.9933 3.3927 3.3927 3.6183 3.6183 3.7412 3.7412 3.7644 3.7644 3.7780 3.7780 3.8894 3.8894 3.9104 3.9104 4.0633 4.0633 5.6019 5.6019 k =-0.4396 0.3874 0.5727 ( 5432 PWs) bands (ev): -74.4568 -74.4568 -74.4542 -74.4542 -44.2223 -44.2223 -44.2163 -44.2163 -43.0357 -43.0357 -43.0302 -43.0302 -42.9951 -42.9951 -42.9950 -42.9950 2.8342 2.8342 2.9813 2.9813 3.4111 3.4111 3.6173 3.6173 3.7524 3.7524 3.7726 3.7726 3.7954 3.7954 3.9179 3.9179 3.9373 3.9373 4.0523 4.0523 5.5521 5.5521 k =-0.4463 0.3754 0.5727 ( 5432 PWs) bands (ev): -74.4567 -74.4567 -74.4544 -74.4544 -44.2219 -44.2219 -44.2166 -44.2166 -43.0354 -43.0354 -43.0305 -43.0305 -42.9951 -42.9951 -42.9950 -42.9950 2.8333 2.8333 2.9654 2.9654 3.4225 3.4225 3.6070 3.6070 3.7553 3.7553 3.7721 3.7721 3.8109 3.8109 3.9371 3.9371 3.9556 3.9556 4.0406 4.0406 5.5050 5.5050 k =-0.4530 0.3634 0.5727 ( 5428 PWs) bands (ev): -74.4563 -74.4563 -74.4541 -74.4541 -44.2216 -44.2216 -44.2169 -44.2169 -43.0351 -43.0351 -43.0308 -43.0308 -42.9951 -42.9951 -42.9950 -42.9950 2.8343 2.8343 2.9506 2.9506 3.4344 3.4344 3.5972 3.5972 3.7577 3.7577 3.7716 3.7716 3.8266 3.8266 3.9582 3.9582 3.9770 3.9770 4.0299 4.0299 5.4625 5.4625 k =-0.4597 0.3514 0.5727 ( 5428 PWs) bands (ev): -74.4562 -74.4562 -74.4542 -74.4542 -44.2213 -44.2213 -44.2173 -44.2173 -43.0348 -43.0348 -43.0311 -43.0311 -42.9950 -42.9950 -42.9950 -42.9950 2.8354 2.8354 2.9355 2.9355 3.4460 3.4460 3.5869 3.5869 3.7596 3.7596 3.7710 3.7710 3.8421 3.8421 3.9716 3.9716 3.9936 3.9936 4.0215 4.0215 5.4243 5.4243 k =-0.4664 0.3394 0.5727 ( 5428 PWs) bands (ev): -74.4561 -74.4561 -74.4543 -74.4543 -44.2209 -44.2209 -44.2176 -44.2176 -43.0345 -43.0345 -43.0315 -43.0315 -42.9950 -42.9950 -42.9950 -42.9950 2.8375 2.8375 2.9211 2.9211 3.4575 3.4575 3.5766 3.5766 3.7612 3.7612 3.7704 3.7704 3.8574 3.8574 3.9771 3.9771 4.0085 4.0085 4.0192 4.0192 5.3911 5.3911 k =-0.4732 0.3274 0.5727 ( 5440 PWs) bands (ev): -74.4568 -74.4568 -74.4559 -74.4559 -44.2206 -44.2206 -44.2180 -44.2180 -43.0343 -43.0343 -43.0318 -43.0318 -42.9950 -42.9950 -42.9950 -42.9950 2.8403 2.8403 2.9070 2.9070 3.4683 3.4683 3.5647 3.5647 3.7594 3.7594 3.7665 3.7665 3.8629 3.8629 3.9691 3.9691 4.0145 4.0145 4.0189 4.0189 5.3630 5.3630 k =-0.4799 0.3154 0.5727 ( 5448 PWs) bands (ev): -74.4581 -74.4581 -74.4560 -74.4560 -44.2203 -44.2203 -44.2183 -44.2183 -43.0340 -43.0340 -43.0321 -43.0321 -42.9951 -42.9951 -42.9950 -42.9950 2.8436 2.8436 2.8945 2.8945 3.4763 3.4763 3.5543 3.5543 3.7558 3.7558 3.7619 3.7619 3.8773 3.8773 3.9584 3.9584 4.0218 4.0218 4.0221 4.0221 5.3405 5.3405 k =-0.4866 0.3034 0.5727 ( 5456 PWs) bands (ev): -74.4580 -74.4580 -74.4575 -74.4575 -44.2200 -44.2200 -44.2186 -44.2186 -43.0337 -43.0337 -43.0325 -43.0325 -42.9951 -42.9951 -42.9951 -42.9951 2.8490 2.8490 2.8830 2.8830 3.4874 3.4874 3.5304 3.5304 3.7555 3.7555 3.7590 3.7590 3.8918 3.8918 3.9464 3.9464 4.0270 4.0270 4.0270 4.0270 5.3246 5.3246 k =-0.4933 0.2913 0.5727 ( 5456 PWs) bands (ev): -74.4579 -74.4579 -74.4577 -74.4577 -44.2197 -44.2197 -44.2190 -44.2190 -43.0334 -43.0334 -43.0328 -43.0328 -42.9951 -42.9951 -42.9951 -42.9951 2.8557 2.8557 2.8727 2.8727 3.4983 3.4983 3.5199 3.5199 3.7565 3.7565 3.7583 3.7583 3.9061 3.9061 3.9335 3.9335 4.0314 4.0314 4.0315 4.0315 5.3150 5.3150 k =-0.5000 0.2793 0.5727 ( 5448 PWs) bands (ev): -74.4571 -74.4571 -74.4571 -74.4571 -44.2193 -44.2193 -44.2193 -44.2193 -43.0330 -43.0330 -43.0330 -43.0330 -42.9950 -42.9950 -42.9950 -42.9950 2.8636 2.8636 2.8636 2.8636 3.5128 3.5128 3.5128 3.5128 3.7602 3.7602 3.7602 3.7602 3.9209 3.9209 3.9209 3.9209 4.0371 4.0371 4.0371 4.0371 5.3120 5.3120 k = 0.0000 0.0000 0.5727 ( 5450 PWs) bands (ev): -74.4568 -74.4568 -74.4568 -74.4568 -44.2189 -44.2189 -44.2189 -44.2189 -43.0269 -43.0269 -43.0268 -43.0268 -43.0014 -43.0014 -43.0014 -43.0014 2.4997 2.4997 2.4997 2.4997 3.1591 3.1591 3.1591 3.1591 3.2730 3.2730 3.2731 3.2731 3.9334 3.9334 3.9335 3.9335 4.3569 4.3569 4.3570 4.3570 4.5833 4.5833 k = 0.0069 0.0124 0.5727 ( 5448 PWs) bands (ev): -74.4566 -74.4566 -74.4566 -74.4566 -44.2189 -44.2189 -44.2189 -44.2189 -43.0270 -43.0270 -43.0267 -43.0267 -43.0015 -43.0015 -43.0012 -43.0012 2.5004 2.5004 2.5007 2.5007 3.1592 3.1592 3.1593 3.1593 3.2734 3.2734 3.2745 3.2745 3.9342 3.9342 3.9345 3.9345 4.3583 4.3583 4.3588 4.3588 4.5831 4.5831 k = 0.0139 0.0249 0.5727 ( 5444 PWs) bands (ev): -74.4562 -74.4562 -74.4562 -74.4562 -44.2189 -44.2189 -44.2189 -44.2189 -43.0272 -43.0272 -43.0265 -43.0265 -43.0017 -43.0017 -43.0010 -43.0010 2.5027 2.5027 2.5033 2.5033 3.1588 3.1588 3.1592 3.1592 3.2736 3.2736 3.2758 3.2758 3.9364 3.9364 3.9368 3.9368 4.3592 4.3592 4.3601 4.3601 4.5874 4.5874 k = 0.0208 0.0373 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0273 -43.0273 -43.0263 -43.0263 -43.0019 -43.0019 -43.0009 -43.0009 2.5067 2.5067 2.5076 2.5076 3.1542 3.1542 3.1549 3.1549 3.2747 3.2747 3.2780 3.2780 3.9379 3.9379 3.9384 3.9384 4.3605 4.3605 4.3616 4.3616 4.5878 4.5878 k = 0.0278 0.0497 0.5727 ( 5442 PWs) bands (ev): -74.4560 -74.4560 -74.4560 -74.4560 -44.2189 -44.2189 -44.2189 -44.2189 -43.0275 -43.0275 -43.0261 -43.0261 -43.0020 -43.0020 -43.0007 -43.0007 2.5127 2.5127 2.5139 2.5139 3.1526 3.1526 3.1536 3.1536 3.2774 3.2774 3.2818 3.2818 3.9403 3.9403 3.9405 3.9405 4.3648 4.3648 4.3659 4.3659 4.5891 4.5891 k = 0.0347 0.0622 0.5727 ( 5442 PWs) bands (ev): -74.4560 -74.4560 -74.4560 -74.4560 -44.2189 -44.2189 -44.2189 -44.2189 -43.0276 -43.0276 -43.0260 -43.0260 -43.0022 -43.0022 -43.0006 -43.0006 2.5196 2.5196 2.5211 2.5211 3.1510 3.1510 3.1523 3.1523 3.2787 3.2787 3.2844 3.2844 3.9421 3.9421 3.9424 3.9424 4.3677 4.3677 4.3689 4.3689 4.5898 4.5898 k = 0.0417 0.0746 0.5727 ( 5432 PWs) bands (ev): -74.4552 -74.4552 -74.4552 -74.4552 -44.2189 -44.2189 -44.2189 -44.2189 -43.0278 -43.0278 -43.0258 -43.0258 -43.0024 -43.0024 -43.0004 -43.0004 2.5280 2.5280 2.5299 2.5299 3.1534 3.1534 3.1549 3.1549 3.2842 3.2842 3.2910 3.2910 3.9450 3.9450 3.9454 3.9454 4.3750 4.3750 4.3764 4.3764 4.5928 4.5939 k = 0.0486 0.0870 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0280 -43.0280 -43.0256 -43.0256 -43.0026 -43.0026 -43.0003 -43.0003 2.5376 2.5376 2.5398 2.5398 3.1437 3.1437 3.1455 3.1455 3.2851 3.2851 3.2934 3.2934 3.9425 3.9425 3.9429 3.9429 4.3766 4.3766 4.3778 4.3778 4.5908 4.5928 k = 0.0556 0.0994 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0281 -43.0281 -43.0255 -43.0255 -43.0027 -43.0027 -43.0001 -43.0001 2.5484 2.5484 2.5511 2.5511 3.1410 3.1410 3.1432 3.1432 3.2880 3.2880 3.2977 3.2977 3.9456 3.9456 3.9461 3.9461 4.3811 4.3811 4.3822 4.3822 4.5928 4.5934 k = 0.0625 0.1119 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0283 -43.0283 -43.0253 -43.0253 -43.0029 -43.0029 -43.0000 -43.0000 2.5604 2.5604 2.5635 2.5635 3.1381 3.1381 3.1407 3.1407 3.2915 3.2915 3.3029 3.3029 3.9492 3.9492 3.9498 3.9498 4.3862 4.3862 4.3868 4.3868 4.5953 4.5953 k = 0.0694 0.1243 0.5727 ( 5438 PWs) bands (ev): -74.4557 -74.4557 -74.4557 -74.4557 -44.2189 -44.2189 -44.2189 -44.2189 -43.0284 -43.0284 -43.0251 -43.0251 -43.0031 -43.0031 -42.9998 -42.9998 2.5737 2.5737 2.5773 2.5773 3.1366 3.1366 3.1395 3.1395 3.2975 3.2975 3.3106 3.3106 3.9557 3.9557 3.9568 3.9568 4.3938 4.3938 4.3943 4.3943 4.6015 4.6015 k = 0.0764 0.1367 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0285 -43.0285 -43.0250 -43.0250 -43.0033 -43.0033 -42.9997 -42.9997 2.5873 2.5873 2.5914 2.5914 3.1286 3.1286 3.1319 3.1319 3.3012 3.3012 3.3162 3.3162 3.9580 3.9580 3.9593 3.9593 4.3975 4.3975 4.3977 4.3977 4.6045 4.6045 k = 0.0833 0.1492 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0287 -43.0287 -43.0248 -43.0248 -43.0034 -43.0034 -42.9996 -42.9996 2.6029 2.6029 2.6075 2.6075 3.1216 3.1216 3.1254 3.1254 3.3072 3.3072 3.3243 3.3243 3.9616 3.9616 3.9634 3.9634 4.4044 4.4044 4.4051 4.4051 4.6117 4.6120 k = 0.0903 0.1616 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2189 -44.2189 -44.2189 -44.2189 -43.0288 -43.0288 -43.0246 -43.0246 -43.0036 -43.0036 -42.9995 -42.9995 2.6186 2.6186 2.6237 2.6237 3.1152 3.1152 3.1196 3.1196 3.3132 3.3132 3.3325 3.3325 3.9652 3.9652 3.9671 3.9671 4.4128 4.4128 4.4150 4.4150 4.6190 4.6191 k = 0.0972 0.1740 0.5727 ( 5446 PWs) bands (ev): -74.4564 -74.4564 -74.4564 -74.4564 -44.2190 -44.2190 -44.2189 -44.2189 -43.0289 -43.0289 -43.0245 -43.0245 -43.0037 -43.0037 -42.9994 -42.9994 2.6339 2.6339 2.6396 2.6396 3.1106 3.1106 3.1155 3.1155 3.3187 3.3187 3.3403 3.3403 3.9723 3.9723 3.9747 3.9747 4.4171 4.4171 4.4204 4.4204 4.6285 4.6293 k = 0.1042 0.1865 0.5727 ( 5442 PWs) bands (ev): -74.4560 -74.4560 -74.4560 -74.4560 -44.2190 -44.2190 -44.2189 -44.2189 -43.0291 -43.0291 -43.0243 -43.0243 -43.0039 -43.0039 -42.9992 -42.9992 2.6498 2.6498 2.6562 2.6562 3.1083 3.1083 3.1137 3.1137 3.3268 3.3268 3.3507 3.3507 3.9797 3.9797 3.9825 3.9825 4.4212 4.4212 4.4259 4.4259 4.6400 4.6400 k = 0.1111 0.1989 0.5727 ( 5438 PWs) bands (ev): -74.4557 -74.4557 -74.4557 -74.4557 -44.2190 -44.2190 -44.2189 -44.2189 -43.0292 -43.0292 -43.0241 -43.0241 -43.0041 -43.0041 -42.9991 -42.9991 2.6664 2.6664 2.6734 2.6734 3.1041 3.1041 3.1099 3.1099 3.3363 3.3363 3.3627 3.3627 3.9874 3.9874 3.9906 3.9906 4.4263 4.4263 4.4327 4.4327 4.6532 4.6546 k = 0.1181 0.2113 0.5727 ( 5430 PWs) bands (ev): -74.4549 -74.4549 -74.4549 -74.4549 -44.2189 -44.2189 -44.2189 -44.2189 -43.0293 -43.0293 -43.0240 -43.0240 -43.0042 -43.0042 -42.9990 -42.9990 2.6832 2.6832 2.6908 2.6908 3.1010 3.1010 3.1072 3.1072 3.3461 3.3461 3.3749 3.3749 3.9971 3.9971 4.0004 4.0004 4.4349 4.4349 4.4434 4.4434 4.6678 4.6679 k = 0.1250 0.2237 0.5727 ( 5430 PWs) bands (ev): -74.4549 -74.4549 -74.4549 -74.4549 -44.2190 -44.2190 -44.2189 -44.2189 -43.0294 -43.0294 -43.0238 -43.0238 -43.0043 -43.0043 -42.9989 -42.9989 2.6994 2.6994 2.7077 2.7077 3.0974 3.0974 3.1042 3.1042 3.3551 3.3551 3.3869 3.3869 4.0056 4.0056 4.0101 4.0101 4.4346 4.4346 4.4447 4.4447 4.6836 4.6836 k = 0.1319 0.2362 0.5727 ( 5434 PWs) bands (ev): -74.4553 -74.4553 -74.4553 -74.4553 -44.2190 -44.2190 -44.2189 -44.2189 -43.0295 -43.0295 -43.0237 -43.0237 -43.0045 -43.0045 -42.9988 -42.9988 2.7139 2.7139 2.7228 2.7228 3.0918 3.0918 3.0990 3.0990 3.3652 3.3652 3.3998 3.3998 4.0136 4.0136 4.0188 4.0188 4.4341 4.4341 4.4460 4.4460 4.6997 4.6998 k = 0.1389 0.2486 0.5727 ( 5440 PWs) bands (ev): -74.4558 -74.4558 -74.4558 -74.4558 -44.2190 -44.2190 -44.2189 -44.2189 -43.0296 -43.0296 -43.0235 -43.0235 -43.0047 -43.0047 -42.9988 -42.9988 2.7276 2.7276 2.7373 2.7373 3.0858 3.0858 3.0933 3.0933 3.3753 3.3753 3.4128 3.4128 4.0211 4.0211 4.0270 4.0270 4.4318 4.4318 4.4457 4.4457 4.7185 4.7185 k = 0.1458 0.2610 0.5727 ( 5440 PWs) bands (ev): -74.4558 -74.4558 -74.4558 -74.4558 -44.2190 -44.2190 -44.2189 -44.2189 -43.0297 -43.0297 -43.0234 -43.0234 -43.0048 -43.0048 -42.9987 -42.9987 2.7417 2.7417 2.7520 2.7520 3.0804 3.0804 3.0884 3.0884 3.3874 3.3874 3.4277 3.4277 4.0314 4.0314 4.0379 4.0379 4.4311 4.4311 4.4470 4.4470 4.7408 4.7408 k = 0.1528 0.2735 0.5727 ( 5440 PWs) bands (ev): -74.4558 -74.4558 -74.4558 -74.4558 -44.2190 -44.2190 -44.2189 -44.2189 -43.0298 -43.0298 -43.0233 -43.0233 -43.0050 -43.0050 -42.9986 -42.9986 2.7552 2.7552 2.7659 2.7659 3.0749 3.0749 3.0834 3.0834 3.3997 3.3997 3.4429 3.4429 4.0424 4.0424 4.0494 4.0494 4.4296 4.4296 4.4474 4.4474 4.7656 4.7657 k = 0.1597 0.2859 0.5727 ( 5420 PWs) bands (ev): -74.4540 -74.4540 -74.4540 -74.4540 -44.2190 -44.2190 -44.2188 -44.2188 -43.0298 -43.0298 -43.0231 -43.0231 -43.0050 -43.0050 -42.9985 -42.9985 2.7707 2.7707 2.7819 2.7819 3.0765 3.0765 3.0854 3.0854 3.4154 3.4154 3.4613 3.4613 4.0589 4.0589 4.0666 4.0666 4.4325 4.4325 4.4518 4.4518 4.7980 4.7981 k = 0.1667 0.2983 0.5727 ( 5424 PWs) bands (ev): -74.4543 -74.4543 -74.4543 -74.4543 -44.2190 -44.2190 -44.2189 -44.2189 -43.0299 -43.0299 -43.0230 -43.0230 -43.0052 -43.0052 -42.9984 -42.9984 2.7821 2.7821 2.7937 2.7937 3.0705 3.0705 3.0799 3.0799 3.4274 3.4274 3.4759 3.4759 4.0680 4.0680 4.0758 4.0758 4.4287 4.4287 4.4502 4.4502 4.8274 4.8278 k = 0.1736 0.3108 0.5727 ( 5424 PWs) bands (ev): -74.4543 -74.4543 -74.4543 -74.4543 -44.2190 -44.2190 -44.2189 -44.2189 -43.0299 -43.0299 -43.0229 -43.0229 -43.0053 -43.0053 -42.9984 -42.9984 2.7933 2.7933 2.8053 2.8053 3.0653 3.0653 3.0751 3.0751 3.4395 3.4395 3.4907 3.4907 4.0802 4.0802 4.0882 4.0882 4.4254 4.4254 4.4486 4.4486 4.8597 4.8598 k = 0.1806 0.3232 0.5727 ( 5416 PWs) bands (ev): -74.4536 -74.4536 -74.4536 -74.4536 -44.2190 -44.2190 -44.2188 -44.2188 -43.0300 -43.0300 -43.0228 -43.0228 -43.0054 -43.0054 -42.9983 -42.9983 2.8049 2.8049 2.8172 2.8172 3.0652 3.0652 3.0756 3.0756 3.4518 3.4518 3.5055 3.5055 4.0953 4.0953 4.1032 4.1032 4.4212 4.4212 4.4463 4.4463 4.8954 4.8957 k = 0.1875 0.3356 0.5727 ( 5426 PWs) bands (ev): -74.4544 -74.4544 -74.4544 -74.4544 -44.2190 -44.2190 -44.2189 -44.2189 -43.0301 -43.0301 -43.0227 -43.0227 -43.0055 -43.0055 -42.9982 -42.9982 2.8117 2.8117 2.8243 2.8243 3.0583 3.0583 3.0691 3.0691 3.4616 3.4616 3.5175 3.5175 4.1056 4.1056 4.1130 4.1130 4.4123 4.4123 4.4396 4.4396 4.9311 4.9313 k = 0.1944 0.3481 0.5727 ( 5424 PWs) bands (ev): -74.4542 -74.4542 -74.4542 -74.4542 -44.2190 -44.2190 -44.2189 -44.2189 -43.0301 -43.0301 -43.0226 -43.0226 -43.0056 -43.0056 -42.9982 -42.9982 2.8202 2.8202 2.8330 2.8330 3.0545 3.0545 3.0657 3.0657 3.4718 3.4718 3.5298 3.5298 4.1203 4.1203 4.1269 4.1269 4.4065 4.4065 4.4359 4.4359 4.9710 4.9718 k = 0.2014 0.3605 0.5727 ( 5432 PWs) bands (ev): -74.4549 -74.4549 -74.4549 -74.4549 -44.2190 -44.2190 -44.2189 -44.2189 -43.0302 -43.0302 -43.0225 -43.0225 -43.0057 -43.0057 -42.9982 -42.9982 2.8264 2.8264 2.8394 2.8394 3.0486 3.0486 3.0600 3.0600 3.4815 3.4815 3.5413 3.5413 4.1310 4.1310 4.1370 4.1370 4.3970 4.3970 4.4284 4.4284 5.0075 5.0083 k = 0.2083 0.3729 0.5727 ( 5424 PWs) bands (ev): -74.4542 -74.4542 -74.4542 -74.4542 -44.2190 -44.2190 -44.2189 -44.2189 -43.0302 -43.0302 -43.0224 -43.0224 -43.0058 -43.0058 -42.9981 -42.9981 2.8345 2.8345 2.8476 2.8476 3.0452 3.0452 3.0570 3.0570 3.4906 3.4906 3.5520 3.5520 4.1466 4.1466 4.1521 4.1521 4.3957 4.3957 4.4288 4.4288 5.0490 5.0490 k = 0.2153 0.3853 0.5727 ( 5432 PWs) bands (ev): -74.4549 -74.4549 -74.4549 -74.4549 -44.2190 -44.2190 -44.2189 -44.2189 -43.0303 -43.0303 -43.0224 -43.0224 -43.0058 -43.0058 -42.9981 -42.9981 2.8395 2.8395 2.8526 2.8526 3.0403 3.0403 3.0524 3.0524 3.4964 3.4964 3.5592 3.5592 4.1509 4.1509 4.1557 4.1557 4.3900 4.3900 4.4246 4.4246 5.0875 5.0875 k = 0.2222 0.3978 0.5727 ( 5436 PWs) bands (ev): -74.4552 -74.4552 -74.4552 -74.4552 -44.2190 -44.2190 -44.2189 -44.2189 -43.0303 -43.0303 -43.0223 -43.0223 -43.0059 -43.0059 -42.9981 -42.9981 2.8438 2.8438 2.8570 2.8570 3.0358 3.0358 3.0481 3.0481 3.5010 3.5010 3.5648 3.5648 4.1560 4.1560 4.1596 4.1596 4.3861 4.3861 4.4226 4.4226 5.1266 5.1270 k = 0.2292 0.4102 0.5727 ( 5444 PWs) bands (ev): -74.4559 -74.4559 -74.4559 -74.4559 -44.2190 -44.2190 -44.2189 -44.2189 -43.0303 -43.0303 -43.0223 -43.0223 -43.0060 -43.0060 -42.9981 -42.9981 2.8458 2.8458 2.8591 2.8591 3.0328 3.0328 3.0452 3.0452 3.5041 3.5041 3.5688 3.5688 4.1634 4.1634 4.1661 4.1661 4.3770 4.3770 4.4149 4.4149 5.1565 5.1565 k = 0.2361 0.4226 0.5727 ( 5444 PWs) bands (ev): -74.4559 -74.4559 -74.4559 -74.4559 -44.2190 -44.2190 -44.2189 -44.2189 -43.0303 -43.0303 -43.0223 -43.0223 -43.0060 -43.0060 -42.9981 -42.9981 2.8485 2.8485 2.8618 2.8618 3.0310 3.0310 3.0436 3.0436 3.5074 3.5074 3.5727 3.5727 4.1692 4.1692 4.1712 4.1712 4.3741 4.3741 4.4131 4.4131 5.1825 5.1825 k = 0.2431 0.4351 0.5727 ( 5452 PWs) bands (ev): -74.4567 -74.4567 -74.4567 -74.4567 -44.2190 -44.2190 -44.2189 -44.2189 -43.0304 -43.0304 -43.0223 -43.0223 -43.0061 -43.0061 -42.9981 -42.9981 2.8487 2.8487 2.8620 2.8620 3.0289 3.0289 3.0414 3.0414 3.5086 3.5086 3.5742 3.5742 4.1677 4.1677 4.1693 4.1693 4.3704 4.3704 4.4099 4.4099 5.1978 5.1978 k = 0.2500 0.4475 0.5727 ( 5452 PWs) bands (ev): -74.4566 -74.4566 -74.4566 -74.4566 -44.2190 -44.2190 -44.2189 -44.2189 -43.0304 -43.0304 -43.0223 -43.0223 -43.0060 -43.0060 -42.9981 -42.9981 2.8494 2.8494 2.8627 2.8627 3.0283 3.0283 3.0410 3.0410 3.5068 3.5068 3.5725 3.5725 4.1732 4.1732 4.1745 4.1745 4.3678 4.3678 4.4076 4.4076 5.2042 5.2042 Writing output data file Mn.save init_run : 0.04s CPU 0.17s WALL ( 1 calls) electrons : 119.42s CPU 122.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 119.42s CPU 122.03s 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 : 0.03s CPU 0.04s WALL ( 370 calls) cegterg : 108.94s CPU 110.80s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 79.71s CPU 81.11s WALL ( 6517 calls) g_psi : 0.22s CPU 0.22s WALL ( 5715 calls) cdiaghg : 27.67s CPU 28.21s WALL ( 6085 calls) cegterg:over : 3.92s CPU 3.90s WALL ( 5715 calls) cegterg:upda : 2.99s CPU 3.09s WALL ( 5715 calls) cegterg:last : 1.51s CPU 1.60s WALL ( 1285 calls) cdiaghg:chol : 1.58s CPU 1.55s WALL ( 6085 calls) cdiaghg:inve : 0.73s CPU 0.81s WALL ( 6085 calls) cdiaghg:para : 1.70s CPU 1.74s WALL ( 12170 calls) Called by h_psi: h_psi:vloc : 75.12s CPU 76.35s WALL ( 6517 calls) h_psi:vnl : 4.44s CPU 4.58s WALL ( 6517 calls) add_vuspsi : 2.43s CPU 2.37s WALL ( 6517 calls) General routines calbec : 2.00s CPU 2.19s WALL ( 6517 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 71.41s CPU 72.54s WALL ( 583384 calls) davcio : 0.08s CPU 0.16s WALL ( 740 calls) Parallel routines fft_scatter : 21.79s CPU 22.34s WALL ( 583397 calls) PWSCF : 2m14.77s CPU 2m33.00s WALL This run was terminated on: 20:29:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=