Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:36: 1 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: ./Cr.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 14 14 4 214 214 38 Max 15 15 5 218 218 41 Sum 535 535 173 7803 7803 1433 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.7196 a.u. unit-cell volume = 80.9295 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 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)= 4.719649 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 Cr 14.00 51.99610 Cr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 516 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 2) = ( 0.0045872 -0.0032436 0.0056181), wk = 0.0019380 k( 3) = ( 0.0091743 -0.0064872 0.0112362), wk = 0.0019380 k( 4) = ( 0.0137615 -0.0097308 0.0168543), wk = 0.0019380 k( 5) = ( 0.0183486 -0.0129744 0.0224724), wk = 0.0019380 k( 6) = ( 0.0229358 -0.0162180 0.0280905), wk = 0.0019380 k( 7) = ( 0.0275229 -0.0194617 0.0337086), wk = 0.0019380 k( 8) = ( 0.0321101 -0.0227053 0.0393267), wk = 0.0019380 k( 9) = ( 0.0366973 -0.0259489 0.0449448), wk = 0.0019380 k( 10) = ( 0.0412844 -0.0291925 0.0505629), wk = 0.0019380 k( 11) = ( 0.0458716 -0.0324361 0.0561810), wk = 0.0019380 k( 12) = ( 0.0504587 -0.0356797 0.0617991), wk = 0.0019380 k( 13) = ( 0.0550459 -0.0389233 0.0674171), wk = 0.0019380 k( 14) = ( 0.0596330 -0.0421669 0.0730352), wk = 0.0019380 k( 15) = ( 0.0642202 -0.0454105 0.0786533), wk = 0.0019380 k( 16) = ( 0.0688073 -0.0486541 0.0842714), wk = 0.0019380 k( 17) = ( 0.0733945 -0.0518977 0.0898895), wk = 0.0019380 k( 18) = ( 0.0779816 -0.0551414 0.0955076), wk = 0.0019380 k( 19) = ( 0.0825688 -0.0583850 0.1011257), wk = 0.0019380 k( 20) = ( 0.0871560 -0.0616286 0.1067438), wk = 0.0019380 k( 21) = ( 0.0917431 -0.0648722 0.1123619), wk = 0.0019380 k( 22) = ( 0.0963303 -0.0681158 0.1179800), wk = 0.0019380 k( 23) = ( 0.1009174 -0.0713594 0.1235981), wk = 0.0019380 k( 24) = ( 0.1055046 -0.0746030 0.1292162), wk = 0.0019380 k( 25) = ( 0.1100917 -0.0778466 0.1348343), wk = 0.0019380 k( 26) = ( 0.1146789 -0.0810902 0.1404524), wk = 0.0019380 k( 27) = ( 0.1192661 -0.0843338 0.1460705), wk = 0.0019380 k( 28) = ( 0.1238532 -0.0875774 0.1516886), wk = 0.0019380 k( 29) = ( 0.1284404 -0.0908211 0.1573067), wk = 0.0019380 k( 30) = ( 0.1330275 -0.0940647 0.1629248), wk = 0.0019380 k( 31) = ( 0.1376147 -0.0973083 0.1685429), wk = 0.0019380 k( 32) = ( 0.1422018 -0.1005519 0.1741610), wk = 0.0019380 k( 33) = ( 0.1467890 -0.1037955 0.1797791), wk = 0.0019380 k( 34) = ( 0.1513761 -0.1070391 0.1853972), wk = 0.0019380 k( 35) = ( 0.1559633 -0.1102827 0.1910153), wk = 0.0019380 k( 36) = ( 0.1605505 -0.1135263 0.1966334), wk = 0.0019380 k( 37) = ( 0.1651376 -0.1167699 0.2022514), wk = 0.0019380 k( 38) = ( 0.1697248 -0.1200135 0.2078695), wk = 0.0019380 k( 39) = ( 0.1743119 -0.1232571 0.2134876), wk = 0.0019380 k( 40) = ( 0.1788991 -0.1265008 0.2191057), wk = 0.0019380 k( 41) = ( 0.1834862 -0.1297444 0.2247238), wk = 0.0019380 k( 42) = ( 0.1880734 -0.1329880 0.2303419), wk = 0.0019380 k( 43) = ( 0.1926606 -0.1362316 0.2359600), wk = 0.0019380 k( 44) = ( 0.1972477 -0.1394752 0.2415781), wk = 0.0019380 k( 45) = ( 0.2018349 -0.1427188 0.2471962), wk = 0.0019380 k( 46) = ( 0.2064220 -0.1459624 0.2528143), wk = 0.0019380 k( 47) = ( 0.2110092 -0.1492060 0.2584324), wk = 0.0019380 k( 48) = ( 0.2155963 -0.1524496 0.2640505), wk = 0.0019380 k( 49) = ( 0.2201835 -0.1556932 0.2696686), wk = 0.0019380 k( 50) = ( 0.2247706 -0.1589368 0.2752867), wk = 0.0019380 k( 51) = ( 0.2293578 -0.1621805 0.2809048), wk = 0.0019380 k( 52) = ( 0.2339450 -0.1654241 0.2865229), wk = 0.0019380 k( 53) = ( 0.2385321 -0.1686677 0.2921410), wk = 0.0019380 k( 54) = ( 0.2431193 -0.1719113 0.2977591), wk = 0.0019380 k( 55) = ( 0.2477064 -0.1751549 0.3033772), wk = 0.0019380 k( 56) = ( 0.2522936 -0.1783985 0.3089953), wk = 0.0019380 k( 57) = ( 0.2568807 -0.1816421 0.3146134), wk = 0.0019380 k( 58) = ( 0.2614679 -0.1848857 0.3202315), wk = 0.0019380 k( 59) = ( 0.2660551 -0.1881293 0.3258496), wk = 0.0019380 k( 60) = ( 0.2706422 -0.1913729 0.3314676), wk = 0.0019380 k( 61) = ( 0.2752294 -0.1946165 0.3370857), wk = 0.0019380 k( 62) = ( 0.2798165 -0.1978602 0.3427038), wk = 0.0019380 k( 63) = ( 0.2844037 -0.2011038 0.3483219), wk = 0.0019380 k( 64) = ( 0.2889908 -0.2043474 0.3539400), wk = 0.0019380 k( 65) = ( 0.2935780 -0.2075910 0.3595581), wk = 0.0019380 k( 66) = ( 0.2981651 -0.2108346 0.3651762), wk = 0.0019380 k( 67) = ( 0.3027523 -0.2140782 0.3707943), wk = 0.0019380 k( 68) = ( 0.3073395 -0.2173218 0.3764124), wk = 0.0019380 k( 69) = ( 0.3119266 -0.2205654 0.3820305), wk = 0.0019380 k( 70) = ( 0.3165138 -0.2238090 0.3876486), wk = 0.0019380 k( 71) = ( 0.3211009 -0.2270526 0.3932667), wk = 0.0019380 k( 72) = ( 0.3256881 -0.2302962 0.3988848), wk = 0.0019380 k( 73) = ( 0.3302752 -0.2335399 0.4045029), wk = 0.0019380 k( 74) = ( 0.3348624 -0.2367835 0.4101210), wk = 0.0019380 k( 75) = ( 0.3394495 -0.2400271 0.4157391), wk = 0.0019380 k( 76) = ( 0.3440367 -0.2432707 0.4213572), wk = 0.0019380 k( 77) = ( 0.3486239 -0.2465143 0.4269753), wk = 0.0019380 k( 78) = ( 0.3532110 -0.2497579 0.4325934), wk = 0.0019380 k( 79) = ( 0.3577982 -0.2530015 0.4382115), wk = 0.0019380 k( 80) = ( 0.3623853 -0.2562451 0.4438296), wk = 0.0019380 k( 81) = ( 0.3669725 -0.2594887 0.4494477), wk = 0.0019380 k( 82) = ( 0.3715596 -0.2627323 0.4550658), wk = 0.0019380 k( 83) = ( 0.3761468 -0.2659759 0.4606839), wk = 0.0019380 k( 84) = ( 0.3807339 -0.2692196 0.4663019), wk = 0.0019380 k( 85) = ( 0.3853211 -0.2724632 0.4719200), wk = 0.0019380 k( 86) = ( 0.3899083 -0.2757068 0.4775381), wk = 0.0019380 k( 87) = ( 0.3944954 -0.2789504 0.4831562), wk = 0.0019380 k( 88) = ( 0.3990826 -0.2821940 0.4887743), wk = 0.0019380 k( 89) = ( 0.4036697 -0.2854376 0.4943924), wk = 0.0019380 k( 90) = ( 0.4082569 -0.2886812 0.5000105), wk = 0.0019380 k( 91) = ( 0.4128440 -0.2919248 0.5056286), wk = 0.0019380 k( 92) = ( 0.4174312 -0.2951684 0.5112467), wk = 0.0019380 k( 93) = ( 0.4220183 -0.2984120 0.5168648), wk = 0.0019380 k( 94) = ( 0.4266055 -0.3016556 0.5224829), wk = 0.0019380 k( 95) = ( 0.4311927 -0.3048993 0.5281010), wk = 0.0019380 k( 96) = ( 0.4357798 -0.3081429 0.5337191), wk = 0.0019380 k( 97) = ( 0.4403670 -0.3113865 0.5393372), wk = 0.0019380 k( 98) = ( 0.4449541 -0.3146301 0.5449553), wk = 0.0019380 k( 99) = ( 0.4495413 -0.3178737 0.5505734), wk = 0.0019380 k( 100) = ( 0.4541284 -0.3211173 0.5561915), wk = 0.0019380 k( 101) = ( 0.4587156 -0.3243609 0.5618096), wk = 0.0019380 k( 102) = ( 0.4633027 -0.3276045 0.5674277), wk = 0.0019380 k( 103) = ( 0.4678899 -0.3308481 0.5730458), wk = 0.0019380 k( 104) = ( 0.4724771 -0.3340917 0.5786639), wk = 0.0019380 k( 105) = ( 0.4770642 -0.3373353 0.5842820), wk = 0.0019380 k( 106) = ( 0.4816514 -0.3405790 0.5899001), wk = 0.0019380 k( 107) = ( 0.4862385 -0.3438226 0.5955181), wk = 0.0019380 k( 108) = ( 0.4908257 -0.3470662 0.6011362), wk = 0.0019380 k( 109) = ( 0.4954128 -0.3503098 0.6067543), wk = 0.0019380 k( 110) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019380 k( 111) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019380 k( 112) = ( 0.4935897 -0.3490207 0.6123724), wk = 0.0019380 k( 113) = ( 0.4871795 -0.3444879 0.6123724), wk = 0.0019380 k( 114) = ( 0.4807692 -0.3399552 0.6123724), wk = 0.0019380 k( 115) = ( 0.4743590 -0.3354224 0.6123724), wk = 0.0019380 k( 116) = ( 0.4679487 -0.3308897 0.6123724), wk = 0.0019380 k( 117) = ( 0.4615385 -0.3263570 0.6123724), wk = 0.0019380 k( 118) = ( 0.4551282 -0.3218242 0.6123724), wk = 0.0019380 k( 119) = ( 0.4487179 -0.3172915 0.6123724), wk = 0.0019380 k( 120) = ( 0.4423077 -0.3127588 0.6123724), wk = 0.0019380 k( 121) = ( 0.4358974 -0.3082260 0.6123724), wk = 0.0019380 k( 122) = ( 0.4294872 -0.3036933 0.6123724), wk = 0.0019380 k( 123) = ( 0.4230769 -0.2991606 0.6123724), wk = 0.0019380 k( 124) = ( 0.4166667 -0.2946278 0.6123724), wk = 0.0019380 k( 125) = ( 0.4102564 -0.2900951 0.6123724), wk = 0.0019380 k( 126) = ( 0.4038462 -0.2855624 0.6123724), wk = 0.0019380 k( 127) = ( 0.3974359 -0.2810296 0.6123724), wk = 0.0019380 k( 128) = ( 0.3910256 -0.2764969 0.6123724), wk = 0.0019380 k( 129) = ( 0.3846154 -0.2719641 0.6123724), wk = 0.0019380 k( 130) = ( 0.3782051 -0.2674314 0.6123724), wk = 0.0019380 k( 131) = ( 0.3717949 -0.2628987 0.6123724), wk = 0.0019380 k( 132) = ( 0.3653846 -0.2583659 0.6123724), wk = 0.0019380 k( 133) = ( 0.3589744 -0.2538332 0.6123724), wk = 0.0019380 k( 134) = ( 0.3525641 -0.2493005 0.6123724), wk = 0.0019380 k( 135) = ( 0.3461538 -0.2447677 0.6123724), wk = 0.0019380 k( 136) = ( 0.3397436 -0.2402350 0.6123724), wk = 0.0019380 k( 137) = ( 0.3333333 -0.2357023 0.6123724), wk = 0.0019380 k( 138) = ( 0.3269231 -0.2311695 0.6123724), wk = 0.0019380 k( 139) = ( 0.3205128 -0.2266368 0.6123724), wk = 0.0019380 k( 140) = ( 0.3141026 -0.2221041 0.6123724), wk = 0.0019380 k( 141) = ( 0.3076923 -0.2175713 0.6123724), wk = 0.0019380 k( 142) = ( 0.3012821 -0.2130386 0.6123724), wk = 0.0019380 k( 143) = ( 0.2948718 -0.2085058 0.6123724), wk = 0.0019380 k( 144) = ( 0.2884615 -0.2039731 0.6123724), wk = 0.0019380 k( 145) = ( 0.2820513 -0.1994404 0.6123724), wk = 0.0019380 k( 146) = ( 0.2756410 -0.1949076 0.6123724), wk = 0.0019380 k( 147) = ( 0.2692308 -0.1903749 0.6123724), wk = 0.0019380 k( 148) = ( 0.2628205 -0.1858422 0.6123724), wk = 0.0019380 k( 149) = ( 0.2564103 -0.1813094 0.6123724), wk = 0.0019380 k( 150) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0019380 k( 151) = ( 0.2435897 -0.1722440 0.6123724), wk = 0.0019380 k( 152) = ( 0.2371795 -0.1677112 0.6123724), wk = 0.0019380 k( 153) = ( 0.2307692 -0.1631785 0.6123724), wk = 0.0019380 k( 154) = ( 0.2243590 -0.1586457 0.6123724), wk = 0.0019380 k( 155) = ( 0.2179487 -0.1541130 0.6123724), wk = 0.0019380 k( 156) = ( 0.2115385 -0.1495803 0.6123724), wk = 0.0019380 k( 157) = ( 0.2051282 -0.1450475 0.6123724), wk = 0.0019380 k( 158) = ( 0.1987180 -0.1405148 0.6123724), wk = 0.0019380 k( 159) = ( 0.1923077 -0.1359821 0.6123724), wk = 0.0019380 k( 160) = ( 0.1858974 -0.1314493 0.6123724), wk = 0.0019380 k( 161) = ( 0.1794872 -0.1269166 0.6123724), wk = 0.0019380 k( 162) = ( 0.1730769 -0.1223839 0.6123724), wk = 0.0019380 k( 163) = ( 0.1666667 -0.1178511 0.6123724), wk = 0.0019380 k( 164) = ( 0.1602564 -0.1133184 0.6123724), wk = 0.0019380 k( 165) = ( 0.1538461 -0.1087857 0.6123724), wk = 0.0019380 k( 166) = ( 0.1474359 -0.1042529 0.6123724), wk = 0.0019380 k( 167) = ( 0.1410256 -0.0997202 0.6123724), wk = 0.0019380 k( 168) = ( 0.1346154 -0.0951874 0.6123724), wk = 0.0019380 k( 169) = ( 0.1282051 -0.0906547 0.6123724), wk = 0.0019380 k( 170) = ( 0.1217949 -0.0861220 0.6123724), wk = 0.0019380 k( 171) = ( 0.1153846 -0.0815892 0.6123724), wk = 0.0019380 k( 172) = ( 0.1089744 -0.0770565 0.6123724), wk = 0.0019380 k( 173) = ( 0.1025641 -0.0725238 0.6123724), wk = 0.0019380 k( 174) = ( 0.0961538 -0.0679910 0.6123724), wk = 0.0019380 k( 175) = ( 0.0897436 -0.0634583 0.6123724), wk = 0.0019380 k( 176) = ( 0.0833333 -0.0589256 0.6123724), wk = 0.0019380 k( 177) = ( 0.0769231 -0.0543928 0.6123724), wk = 0.0019380 k( 178) = ( 0.0705128 -0.0498601 0.6123724), wk = 0.0019380 k( 179) = ( 0.0641026 -0.0453274 0.6123724), wk = 0.0019380 k( 180) = ( 0.0576923 -0.0407946 0.6123724), wk = 0.0019380 k( 181) = ( 0.0512821 -0.0362619 0.6123724), wk = 0.0019380 k( 182) = ( 0.0448718 -0.0317291 0.6123724), wk = 0.0019380 k( 183) = ( 0.0384615 -0.0271964 0.6123724), wk = 0.0019380 k( 184) = ( 0.0320513 -0.0226637 0.6123724), wk = 0.0019380 k( 185) = ( 0.0256410 -0.0181309 0.6123724), wk = 0.0019380 k( 186) = ( 0.0192308 -0.0135982 0.6123724), wk = 0.0019380 k( 187) = ( 0.0128205 -0.0090655 0.6123724), wk = 0.0019380 k( 188) = ( 0.0064103 -0.0045327 0.6123724), wk = 0.0019380 k( 189) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019380 k( 190) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019380 k( 191) = ( 0.0000000 0.0000000 0.6045215), wk = 0.0019380 k( 192) = ( 0.0000000 0.0000000 0.5966706), wk = 0.0019380 k( 193) = ( 0.0000000 0.0000000 0.5888196), wk = 0.0019380 k( 194) = ( 0.0000000 0.0000000 0.5809687), wk = 0.0019380 k( 195) = ( 0.0000000 0.0000000 0.5731178), wk = 0.0019380 k( 196) = ( 0.0000000 0.0000000 0.5652669), wk = 0.0019380 k( 197) = ( 0.0000000 0.0000000 0.5574159), wk = 0.0019380 k( 198) = ( 0.0000000 0.0000000 0.5495650), wk = 0.0019380 k( 199) = ( 0.0000000 0.0000000 0.5417141), wk = 0.0019380 k( 200) = ( 0.0000000 0.0000000 0.5338632), wk = 0.0019380 k( 201) = ( 0.0000000 0.0000000 0.5260122), wk = 0.0019380 k( 202) = ( 0.0000000 0.0000000 0.5181613), wk = 0.0019380 k( 203) = ( 0.0000000 0.0000000 0.5103104), wk = 0.0019380 k( 204) = ( 0.0000000 0.0000000 0.5024594), wk = 0.0019380 k( 205) = ( 0.0000000 0.0000000 0.4946085), wk = 0.0019380 k( 206) = ( 0.0000000 0.0000000 0.4867576), wk = 0.0019380 k( 207) = ( 0.0000000 0.0000000 0.4789066), wk = 0.0019380 k( 208) = ( 0.0000000 0.0000000 0.4710557), wk = 0.0019380 k( 209) = ( 0.0000000 0.0000000 0.4632048), wk = 0.0019380 k( 210) = ( 0.0000000 0.0000000 0.4553539), wk = 0.0019380 k( 211) = ( 0.0000000 0.0000000 0.4475029), wk = 0.0019380 k( 212) = ( 0.0000000 0.0000000 0.4396520), wk = 0.0019380 k( 213) = ( 0.0000000 0.0000000 0.4318011), wk = 0.0019380 k( 214) = ( 0.0000000 0.0000000 0.4239502), wk = 0.0019380 k( 215) = ( 0.0000000 0.0000000 0.4160992), wk = 0.0019380 k( 216) = ( 0.0000000 0.0000000 0.4082483), wk = 0.0019380 k( 217) = ( 0.0000000 0.0000000 0.4003974), wk = 0.0019380 k( 218) = ( 0.0000000 0.0000000 0.3925464), wk = 0.0019380 k( 219) = ( 0.0000000 0.0000000 0.3846955), wk = 0.0019380 k( 220) = ( 0.0000000 0.0000000 0.3768446), wk = 0.0019380 k( 221) = ( 0.0000000 0.0000000 0.3689936), wk = 0.0019380 k( 222) = ( 0.0000000 0.0000000 0.3611427), wk = 0.0019380 k( 223) = ( 0.0000000 0.0000000 0.3532918), wk = 0.0019380 k( 224) = ( 0.0000000 0.0000000 0.3454409), wk = 0.0019380 k( 225) = ( 0.0000000 0.0000000 0.3375899), wk = 0.0019380 k( 226) = ( 0.0000000 0.0000000 0.3297390), wk = 0.0019380 k( 227) = ( 0.0000000 0.0000000 0.3218881), wk = 0.0019380 k( 228) = ( 0.0000000 0.0000000 0.3140372), wk = 0.0019380 k( 229) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0019380 k( 230) = ( 0.0000000 0.0000000 0.2983353), wk = 0.0019380 k( 231) = ( 0.0000000 0.0000000 0.2904844), wk = 0.0019380 k( 232) = ( 0.0000000 0.0000000 0.2826334), wk = 0.0019380 k( 233) = ( 0.0000000 0.0000000 0.2747825), wk = 0.0019380 k( 234) = ( 0.0000000 0.0000000 0.2669316), wk = 0.0019380 k( 235) = ( 0.0000000 0.0000000 0.2590806), wk = 0.0019380 k( 236) = ( 0.0000000 0.0000000 0.2512297), wk = 0.0019380 k( 237) = ( 0.0000000 0.0000000 0.2433788), wk = 0.0019380 k( 238) = ( 0.0000000 0.0000000 0.2355279), wk = 0.0019380 k( 239) = ( 0.0000000 0.0000000 0.2276769), wk = 0.0019380 k( 240) = ( 0.0000000 0.0000000 0.2198260), wk = 0.0019380 k( 241) = ( 0.0000000 0.0000000 0.2119751), wk = 0.0019380 k( 242) = ( 0.0000000 0.0000000 0.2041241), wk = 0.0019380 k( 243) = ( 0.0000000 0.0000000 0.1962732), wk = 0.0019380 k( 244) = ( 0.0000000 0.0000000 0.1884223), wk = 0.0019380 k( 245) = ( 0.0000000 0.0000000 0.1805714), wk = 0.0019380 k( 246) = ( 0.0000000 0.0000000 0.1727204), wk = 0.0019380 k( 247) = ( 0.0000000 0.0000000 0.1648695), wk = 0.0019380 k( 248) = ( 0.0000000 0.0000000 0.1570186), wk = 0.0019380 k( 249) = ( 0.0000000 0.0000000 0.1491676), wk = 0.0019380 k( 250) = ( 0.0000000 0.0000000 0.1413167), wk = 0.0019380 k( 251) = ( 0.0000000 0.0000000 0.1334658), wk = 0.0019380 k( 252) = ( 0.0000000 0.0000000 0.1256149), wk = 0.0019380 k( 253) = ( 0.0000000 0.0000000 0.1177639), wk = 0.0019380 k( 254) = ( 0.0000000 0.0000000 0.1099130), wk = 0.0019380 k( 255) = ( 0.0000000 0.0000000 0.1020621), wk = 0.0019380 k( 256) = ( 0.0000000 0.0000000 0.0942111), wk = 0.0019380 k( 257) = ( 0.0000000 0.0000000 0.0863602), wk = 0.0019380 k( 258) = ( 0.0000000 0.0000000 0.0785093), wk = 0.0019380 k( 259) = ( 0.0000000 0.0000000 0.0706584), wk = 0.0019380 k( 260) = ( 0.0000000 0.0000000 0.0628074), wk = 0.0019380 k( 261) = ( 0.0000000 0.0000000 0.0549565), wk = 0.0019380 k( 262) = ( 0.0000000 0.0000000 0.0471056), wk = 0.0019380 k( 263) = ( 0.0000000 0.0000000 0.0392546), wk = 0.0019380 k( 264) = ( 0.0000000 0.0000000 0.0314037), wk = 0.0019380 k( 265) = ( 0.0000000 0.0000000 0.0235528), wk = 0.0019380 k( 266) = ( 0.0000000 0.0000000 0.0157019), wk = 0.0019380 k( 267) = ( 0.0000000 0.0000000 0.0078509), wk = 0.0019380 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 270) = ( 0.0026316 0.0037216 0.0064460), wk = 0.0019380 k( 271) = ( 0.0052632 0.0074432 0.0128921), wk = 0.0019380 k( 272) = ( 0.0078947 0.0111648 0.0193381), wk = 0.0019380 k( 273) = ( 0.0105263 0.0148865 0.0257841), wk = 0.0019380 k( 274) = ( 0.0131579 0.0186081 0.0322301), wk = 0.0019380 k( 275) = ( 0.0157895 0.0223297 0.0386761), wk = 0.0019380 k( 276) = ( 0.0184211 0.0260513 0.0451222), wk = 0.0019380 k( 277) = ( 0.0210526 0.0297729 0.0515682), wk = 0.0019380 k( 278) = ( 0.0236842 0.0334945 0.0580142), wk = 0.0019380 k( 279) = ( 0.0263158 0.0372161 0.0644603), wk = 0.0019380 k( 280) = ( 0.0289474 0.0409378 0.0709063), wk = 0.0019380 k( 281) = ( 0.0315790 0.0446594 0.0773523), wk = 0.0019380 k( 282) = ( 0.0342105 0.0483810 0.0837983), wk = 0.0019380 k( 283) = ( 0.0368421 0.0521026 0.0902444), wk = 0.0019380 k( 284) = ( 0.0394737 0.0558242 0.0966904), wk = 0.0019380 k( 285) = ( 0.0421053 0.0595458 0.1031364), wk = 0.0019380 k( 286) = ( 0.0447368 0.0632674 0.1095824), wk = 0.0019380 k( 287) = ( 0.0473684 0.0669891 0.1160285), wk = 0.0019380 k( 288) = ( 0.0500000 0.0707107 0.1224745), wk = 0.0019380 k( 289) = ( 0.0526316 0.0744323 0.1289205), wk = 0.0019380 k( 290) = ( 0.0552632 0.0781539 0.1353665), wk = 0.0019380 k( 291) = ( 0.0578947 0.0818755 0.1418126), wk = 0.0019380 k( 292) = ( 0.0605263 0.0855971 0.1482586), wk = 0.0019380 k( 293) = ( 0.0631579 0.0893187 0.1547046), wk = 0.0019380 k( 294) = ( 0.0657895 0.0930404 0.1611506), wk = 0.0019380 k( 295) = ( 0.0684210 0.0967620 0.1675967), wk = 0.0019380 k( 296) = ( 0.0710526 0.1004836 0.1740427), wk = 0.0019380 k( 297) = ( 0.0736842 0.1042052 0.1804887), wk = 0.0019380 k( 298) = ( 0.0763158 0.1079268 0.1869347), wk = 0.0019380 k( 299) = ( 0.0789474 0.1116484 0.1933808), wk = 0.0019380 k( 300) = ( 0.0815789 0.1153701 0.1998268), wk = 0.0019380 k( 301) = ( 0.0842105 0.1190917 0.2062728), wk = 0.0019380 k( 302) = ( 0.0868421 0.1228133 0.2127189), wk = 0.0019380 k( 303) = ( 0.0894737 0.1265349 0.2191649), wk = 0.0019380 k( 304) = ( 0.0921053 0.1302565 0.2256109), wk = 0.0019380 k( 305) = ( 0.0947368 0.1339781 0.2320569), wk = 0.0019380 k( 306) = ( 0.0973684 0.1376997 0.2385029), wk = 0.0019380 k( 307) = ( 0.1000000 0.1414214 0.2449490), wk = 0.0019380 k( 308) = ( 0.1026316 0.1451430 0.2513950), wk = 0.0019380 k( 309) = ( 0.1052632 0.1488646 0.2578410), wk = 0.0019380 k( 310) = ( 0.1078947 0.1525862 0.2642871), wk = 0.0019380 k( 311) = ( 0.1105263 0.1563078 0.2707331), wk = 0.0019380 k( 312) = ( 0.1131579 0.1600294 0.2771791), wk = 0.0019380 k( 313) = ( 0.1157895 0.1637510 0.2836251), wk = 0.0019380 k( 314) = ( 0.1184210 0.1674727 0.2900711), wk = 0.0019380 k( 315) = ( 0.1210526 0.1711943 0.2965172), wk = 0.0019380 k( 316) = ( 0.1236842 0.1749159 0.3029632), wk = 0.0019380 k( 317) = ( 0.1263158 0.1786375 0.3094092), wk = 0.0019380 k( 318) = ( 0.1289474 0.1823591 0.3158553), wk = 0.0019380 k( 319) = ( 0.1315790 0.1860807 0.3223013), wk = 0.0019380 k( 320) = ( 0.1342105 0.1898024 0.3287473), wk = 0.0019380 k( 321) = ( 0.1368421 0.1935240 0.3351933), wk = 0.0019380 k( 322) = ( 0.1394737 0.1972456 0.3416393), wk = 0.0019380 k( 323) = ( 0.1421053 0.2009672 0.3480854), wk = 0.0019380 k( 324) = ( 0.1447368 0.2046888 0.3545314), wk = 0.0019380 k( 325) = ( 0.1473684 0.2084104 0.3609774), wk = 0.0019380 k( 326) = ( 0.1500000 0.2121320 0.3674235), wk = 0.0019380 k( 327) = ( 0.1526316 0.2158537 0.3738695), wk = 0.0019380 k( 328) = ( 0.1552632 0.2195753 0.3803155), wk = 0.0019380 k( 329) = ( 0.1578947 0.2232969 0.3867615), wk = 0.0019380 k( 330) = ( 0.1605263 0.2270185 0.3932076), wk = 0.0019380 k( 331) = ( 0.1631579 0.2307401 0.3996536), wk = 0.0019380 k( 332) = ( 0.1657895 0.2344617 0.4060996), wk = 0.0019380 k( 333) = ( 0.1684210 0.2381833 0.4125456), wk = 0.0019380 k( 334) = ( 0.1710526 0.2419049 0.4189917), wk = 0.0019380 k( 335) = ( 0.1736842 0.2456266 0.4254377), wk = 0.0019380 k( 336) = ( 0.1763158 0.2493482 0.4318837), wk = 0.0019380 k( 337) = ( 0.1789474 0.2530698 0.4383297), wk = 0.0019380 k( 338) = ( 0.1815789 0.2567914 0.4447758), wk = 0.0019380 k( 339) = ( 0.1842105 0.2605130 0.4512218), wk = 0.0019380 k( 340) = ( 0.1868421 0.2642346 0.4576678), wk = 0.0019380 k( 341) = ( 0.1894737 0.2679562 0.4641138), wk = 0.0019380 k( 342) = ( 0.1921053 0.2716779 0.4705599), wk = 0.0019380 k( 343) = ( 0.1947368 0.2753995 0.4770059), wk = 0.0019380 k( 344) = ( 0.1973684 0.2791211 0.4834519), wk = 0.0019380 k( 345) = ( 0.2000000 0.2828427 0.4898979), wk = 0.0019380 k( 346) = ( 0.2026316 0.2865643 0.4963440), wk = 0.0019380 k( 347) = ( 0.2052632 0.2902859 0.5027900), wk = 0.0019380 k( 348) = ( 0.2078947 0.2940076 0.5092360), wk = 0.0019380 k( 349) = ( 0.2105263 0.2977292 0.5156821), wk = 0.0019380 k( 350) = ( 0.2131579 0.3014508 0.5221281), wk = 0.0019380 k( 351) = ( 0.2157895 0.3051724 0.5285741), wk = 0.0019380 k( 352) = ( 0.2184211 0.3088940 0.5350201), wk = 0.0019380 k( 353) = ( 0.2210526 0.3126156 0.5414661), wk = 0.0019380 k( 354) = ( 0.2236842 0.3163372 0.5479122), wk = 0.0019380 k( 355) = ( 0.2263158 0.3200589 0.5543582), wk = 0.0019380 k( 356) = ( 0.2289474 0.3237805 0.5608042), wk = 0.0019380 k( 357) = ( 0.2315790 0.3275021 0.5672503), wk = 0.0019380 k( 358) = ( 0.2342105 0.3312237 0.5736963), wk = 0.0019380 k( 359) = ( 0.2368421 0.3349453 0.5801423), wk = 0.0019380 k( 360) = ( 0.2394737 0.3386669 0.5865883), wk = 0.0019380 k( 361) = ( 0.2421053 0.3423885 0.5930344), wk = 0.0019380 k( 362) = ( 0.2447368 0.3461102 0.5994804), wk = 0.0019380 k( 363) = ( 0.2473684 0.3498318 0.6059264), wk = 0.0019380 k( 364) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019380 k( 365) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019380 k( 366) = ( 0.2526316 0.3461102 0.6123724), wk = 0.0019380 k( 367) = ( 0.2552632 0.3386669 0.6123724), wk = 0.0019380 k( 368) = ( 0.2578947 0.3312237 0.6123724), wk = 0.0019380 k( 369) = ( 0.2605263 0.3237805 0.6123724), wk = 0.0019380 k( 370) = ( 0.2631579 0.3163372 0.6123724), wk = 0.0019380 k( 371) = ( 0.2657895 0.3088940 0.6123724), wk = 0.0019380 k( 372) = ( 0.2684210 0.3014508 0.6123724), wk = 0.0019380 k( 373) = ( 0.2710526 0.2940076 0.6123724), wk = 0.0019380 k( 374) = ( 0.2736842 0.2865643 0.6123724), wk = 0.0019380 k( 375) = ( 0.2763158 0.2791211 0.6123724), wk = 0.0019380 k( 376) = ( 0.2789474 0.2716779 0.6123724), wk = 0.0019380 k( 377) = ( 0.2815789 0.2642346 0.6123724), wk = 0.0019380 k( 378) = ( 0.2842105 0.2567914 0.6123724), wk = 0.0019380 k( 379) = ( 0.2868421 0.2493482 0.6123724), wk = 0.0019380 k( 380) = ( 0.2894737 0.2419050 0.6123724), wk = 0.0019380 k( 381) = ( 0.2921053 0.2344617 0.6123724), wk = 0.0019380 k( 382) = ( 0.2947368 0.2270185 0.6123724), wk = 0.0019380 k( 383) = ( 0.2973684 0.2195753 0.6123724), wk = 0.0019380 k( 384) = ( 0.3000000 0.2121320 0.6123724), wk = 0.0019380 k( 385) = ( 0.3026316 0.2046888 0.6123724), wk = 0.0019380 k( 386) = ( 0.3052632 0.1972456 0.6123724), wk = 0.0019380 k( 387) = ( 0.3078947 0.1898023 0.6123724), wk = 0.0019380 k( 388) = ( 0.3105263 0.1823591 0.6123724), wk = 0.0019380 k( 389) = ( 0.3131579 0.1749159 0.6123724), wk = 0.0019380 k( 390) = ( 0.3157895 0.1674727 0.6123724), wk = 0.0019380 k( 391) = ( 0.3184210 0.1600294 0.6123724), wk = 0.0019380 k( 392) = ( 0.3210526 0.1525862 0.6123724), wk = 0.0019380 k( 393) = ( 0.3236842 0.1451430 0.6123724), wk = 0.0019380 k( 394) = ( 0.3263158 0.1376997 0.6123724), wk = 0.0019380 k( 395) = ( 0.3289474 0.1302565 0.6123724), wk = 0.0019380 k( 396) = ( 0.3315789 0.1228133 0.6123724), wk = 0.0019380 k( 397) = ( 0.3342105 0.1153701 0.6123724), wk = 0.0019380 k( 398) = ( 0.3368421 0.1079268 0.6123724), wk = 0.0019380 k( 399) = ( 0.3394737 0.1004836 0.6123724), wk = 0.0019380 k( 400) = ( 0.3421053 0.0930404 0.6123724), wk = 0.0019380 k( 401) = ( 0.3447368 0.0855971 0.6123724), wk = 0.0019380 k( 402) = ( 0.3473684 0.0781539 0.6123724), wk = 0.0019380 k( 403) = ( 0.3500000 0.0707107 0.6123724), wk = 0.0019380 k( 404) = ( 0.3526316 0.0632674 0.6123724), wk = 0.0019380 k( 405) = ( 0.3552632 0.0558242 0.6123724), wk = 0.0019380 k( 406) = ( 0.3578947 0.0483810 0.6123724), wk = 0.0019380 k( 407) = ( 0.3605263 0.0409378 0.6123724), wk = 0.0019380 k( 408) = ( 0.3631579 0.0334945 0.6123724), wk = 0.0019380 k( 409) = ( 0.3657895 0.0260513 0.6123724), wk = 0.0019380 k( 410) = ( 0.3684211 0.0186081 0.6123724), wk = 0.0019380 k( 411) = ( 0.3710526 0.0111648 0.6123724), wk = 0.0019380 k( 412) = ( 0.3736842 0.0037216 0.6123724), wk = 0.0019380 k( 413) = ( 0.3763158 -0.0037216 0.6123724), wk = 0.0019380 k( 414) = ( 0.3789474 -0.0111648 0.6123724), wk = 0.0019380 k( 415) = ( 0.3815789 -0.0186081 0.6123724), wk = 0.0019380 k( 416) = ( 0.3842105 -0.0260513 0.6123724), wk = 0.0019380 k( 417) = ( 0.3868421 -0.0334945 0.6123724), wk = 0.0019380 k( 418) = ( 0.3894737 -0.0409378 0.6123724), wk = 0.0019380 k( 419) = ( 0.3921053 -0.0483810 0.6123724), wk = 0.0019380 k( 420) = ( 0.3947368 -0.0558242 0.6123724), wk = 0.0019380 k( 421) = ( 0.3973684 -0.0632674 0.6123724), wk = 0.0019380 k( 422) = ( 0.4000000 -0.0707107 0.6123724), wk = 0.0019380 k( 423) = ( 0.4026316 -0.0781539 0.6123724), wk = 0.0019380 k( 424) = ( 0.4052632 -0.0855971 0.6123724), wk = 0.0019380 k( 425) = ( 0.4078947 -0.0930404 0.6123724), wk = 0.0019380 k( 426) = ( 0.4105263 -0.1004836 0.6123724), wk = 0.0019380 k( 427) = ( 0.4131579 -0.1079268 0.6123724), wk = 0.0019380 k( 428) = ( 0.4157895 -0.1153701 0.6123724), wk = 0.0019380 k( 429) = ( 0.4184211 -0.1228133 0.6123724), wk = 0.0019380 k( 430) = ( 0.4210526 -0.1302565 0.6123724), wk = 0.0019380 k( 431) = ( 0.4236842 -0.1376997 0.6123724), wk = 0.0019380 k( 432) = ( 0.4263158 -0.1451430 0.6123724), wk = 0.0019380 k( 433) = ( 0.4289474 -0.1525862 0.6123724), wk = 0.0019380 k( 434) = ( 0.4315790 -0.1600294 0.6123724), wk = 0.0019380 k( 435) = ( 0.4342105 -0.1674727 0.6123724), wk = 0.0019380 k( 436) = ( 0.4368421 -0.1749159 0.6123724), wk = 0.0019380 k( 437) = ( 0.4394737 -0.1823591 0.6123724), wk = 0.0019380 k( 438) = ( 0.4421053 -0.1898023 0.6123724), wk = 0.0019380 k( 439) = ( 0.4447368 -0.1972456 0.6123724), wk = 0.0019380 k( 440) = ( 0.4473684 -0.2046888 0.6123724), wk = 0.0019380 k( 441) = ( 0.4500000 -0.2121320 0.6123724), wk = 0.0019380 k( 442) = ( 0.4526316 -0.2195753 0.6123724), wk = 0.0019380 k( 443) = ( 0.4552632 -0.2270185 0.6123724), wk = 0.0019380 k( 444) = ( 0.4578947 -0.2344617 0.6123724), wk = 0.0019380 k( 445) = ( 0.4605263 -0.2419050 0.6123724), wk = 0.0019380 k( 446) = ( 0.4631579 -0.2493482 0.6123724), wk = 0.0019380 k( 447) = ( 0.4657895 -0.2567914 0.6123724), wk = 0.0019380 k( 448) = ( 0.4684211 -0.2642346 0.6123724), wk = 0.0019380 k( 449) = ( 0.4710526 -0.2716779 0.6123724), wk = 0.0019380 k( 450) = ( 0.4736842 -0.2791211 0.6123724), wk = 0.0019380 k( 451) = ( 0.4763158 -0.2865643 0.6123724), wk = 0.0019380 k( 452) = ( 0.4789474 -0.2940076 0.6123724), wk = 0.0019380 k( 453) = ( 0.4815790 -0.3014508 0.6123724), wk = 0.0019380 k( 454) = ( 0.4842105 -0.3088940 0.6123724), wk = 0.0019380 k( 455) = ( 0.4868421 -0.3163372 0.6123724), wk = 0.0019380 k( 456) = ( 0.4894737 -0.3237805 0.6123724), wk = 0.0019380 k( 457) = ( 0.4921053 -0.3312237 0.6123724), wk = 0.0019380 k( 458) = ( 0.4947368 -0.3386669 0.6123724), wk = 0.0019380 k( 459) = ( 0.4973684 -0.3461102 0.6123724), wk = 0.0019380 k( 460) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019380 k( 461) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019380 k( 462) = ( 0.2454545 0.3471252 0.6123724), wk = 0.0019380 k( 463) = ( 0.2409091 0.3406969 0.6123724), wk = 0.0019380 k( 464) = ( 0.2363636 0.3342687 0.6123724), wk = 0.0019380 k( 465) = ( 0.2318182 0.3278404 0.6123724), wk = 0.0019380 k( 466) = ( 0.2272727 0.3214122 0.6123724), wk = 0.0019380 k( 467) = ( 0.2227273 0.3149839 0.6123724), wk = 0.0019380 k( 468) = ( 0.2181818 0.3085557 0.6123724), wk = 0.0019380 k( 469) = ( 0.2136364 0.3021274 0.6123724), wk = 0.0019380 k( 470) = ( 0.2090909 0.2956992 0.6123724), wk = 0.0019380 k( 471) = ( 0.2045454 0.2892709 0.6123724), wk = 0.0019380 k( 472) = ( 0.2000000 0.2828427 0.6123724), wk = 0.0019380 k( 473) = ( 0.1954546 0.2764145 0.6123724), wk = 0.0019380 k( 474) = ( 0.1909091 0.2699862 0.6123724), wk = 0.0019380 k( 475) = ( 0.1863636 0.2635580 0.6123724), wk = 0.0019380 k( 476) = ( 0.1818182 0.2571297 0.6123724), wk = 0.0019380 k( 477) = ( 0.1772727 0.2507015 0.6123724), wk = 0.0019380 k( 478) = ( 0.1727273 0.2442732 0.6123724), wk = 0.0019380 k( 479) = ( 0.1681818 0.2378450 0.6123724), wk = 0.0019380 k( 480) = ( 0.1636364 0.2314168 0.6123724), wk = 0.0019380 k( 481) = ( 0.1590909 0.2249885 0.6123724), wk = 0.0019380 k( 482) = ( 0.1545455 0.2185603 0.6123724), wk = 0.0019380 k( 483) = ( 0.1500000 0.2121320 0.6123724), wk = 0.0019380 k( 484) = ( 0.1454545 0.2057038 0.6123724), wk = 0.0019380 k( 485) = ( 0.1409091 0.1992755 0.6123724), wk = 0.0019380 k( 486) = ( 0.1363636 0.1928473 0.6123724), wk = 0.0019380 k( 487) = ( 0.1318182 0.1864191 0.6123724), wk = 0.0019380 k( 488) = ( 0.1272727 0.1799908 0.6123724), wk = 0.0019380 k( 489) = ( 0.1227273 0.1735626 0.6123724), wk = 0.0019380 k( 490) = ( 0.1181818 0.1671343 0.6123724), wk = 0.0019380 k( 491) = ( 0.1136364 0.1607061 0.6123724), wk = 0.0019380 k( 492) = ( 0.1090909 0.1542778 0.6123724), wk = 0.0019380 k( 493) = ( 0.1045454 0.1478496 0.6123724), wk = 0.0019380 k( 494) = ( 0.1000000 0.1414214 0.6123724), wk = 0.0019380 k( 495) = ( 0.0954545 0.1349931 0.6123724), wk = 0.0019380 k( 496) = ( 0.0909091 0.1285649 0.6123724), wk = 0.0019380 k( 497) = ( 0.0863636 0.1221366 0.6123724), wk = 0.0019380 k( 498) = ( 0.0818182 0.1157084 0.6123724), wk = 0.0019380 k( 499) = ( 0.0772727 0.1092801 0.6123724), wk = 0.0019380 k( 500) = ( 0.0727273 0.1028519 0.6123724), wk = 0.0019380 k( 501) = ( 0.0681818 0.0964237 0.6123724), wk = 0.0019380 k( 502) = ( 0.0636364 0.0899954 0.6123724), wk = 0.0019380 k( 503) = ( 0.0590909 0.0835672 0.6123724), wk = 0.0019380 k( 504) = ( 0.0545455 0.0771389 0.6123724), wk = 0.0019380 k( 505) = ( 0.0500000 0.0707107 0.6123724), wk = 0.0019380 k( 506) = ( 0.0454546 0.0642824 0.6123724), wk = 0.0019380 k( 507) = ( 0.0409091 0.0578542 0.6123724), wk = 0.0019380 k( 508) = ( 0.0363636 0.0514260 0.6123724), wk = 0.0019380 k( 509) = ( 0.0318182 0.0449977 0.6123724), wk = 0.0019380 k( 510) = ( 0.0272727 0.0385695 0.6123724), wk = 0.0019380 k( 511) = ( 0.0227273 0.0321412 0.6123724), wk = 0.0019380 k( 512) = ( 0.0181818 0.0257130 0.6123724), wk = 0.0019380 k( 513) = ( 0.0136364 0.0192847 0.6123724), wk = 0.0019380 k( 514) = ( 0.0090909 0.0128565 0.6123724), wk = 0.0019380 k( 515) = ( 0.0045455 0.0064282 0.6123724), wk = 0.0019380 k( 516) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019380 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 2) = ( 0.0045872 -0.0045872 0.0045872), wk = 0.0019380 k( 3) = ( 0.0091743 -0.0091743 0.0091743), wk = 0.0019380 k( 4) = ( 0.0137615 -0.0137615 0.0137615), wk = 0.0019380 k( 5) = ( 0.0183486 -0.0183486 0.0183486), wk = 0.0019380 k( 6) = ( 0.0229358 -0.0229358 0.0229358), wk = 0.0019380 k( 7) = ( 0.0275229 -0.0275229 0.0275229), wk = 0.0019380 k( 8) = ( 0.0321101 -0.0321101 0.0321101), wk = 0.0019380 k( 9) = ( 0.0366973 -0.0366972 0.0366973), wk = 0.0019380 k( 10) = ( 0.0412844 -0.0412844 0.0412844), wk = 0.0019380 k( 11) = ( 0.0458716 -0.0458716 0.0458716), wk = 0.0019380 k( 12) = ( 0.0504587 -0.0504587 0.0504587), wk = 0.0019380 k( 13) = ( 0.0550459 -0.0550459 0.0550459), wk = 0.0019380 k( 14) = ( 0.0596330 -0.0596330 0.0596330), wk = 0.0019380 k( 15) = ( 0.0642202 -0.0642202 0.0642202), wk = 0.0019380 k( 16) = ( 0.0688073 -0.0688073 0.0688073), wk = 0.0019380 k( 17) = ( 0.0733945 -0.0733945 0.0733945), wk = 0.0019380 k( 18) = ( 0.0779816 -0.0779816 0.0779816), wk = 0.0019380 k( 19) = ( 0.0825688 -0.0825688 0.0825688), wk = 0.0019380 k( 20) = ( 0.0871560 -0.0871560 0.0871560), wk = 0.0019380 k( 21) = ( 0.0917431 -0.0917431 0.0917431), wk = 0.0019380 k( 22) = ( 0.0963303 -0.0963303 0.0963303), wk = 0.0019380 k( 23) = ( 0.1009174 -0.1009174 0.1009174), wk = 0.0019380 k( 24) = ( 0.1055046 -0.1055046 0.1055046), wk = 0.0019380 k( 25) = ( 0.1100917 -0.1100917 0.1100917), wk = 0.0019380 k( 26) = ( 0.1146789 -0.1146789 0.1146789), wk = 0.0019380 k( 27) = ( 0.1192661 -0.1192661 0.1192661), wk = 0.0019380 k( 28) = ( 0.1238532 -0.1238532 0.1238532), wk = 0.0019380 k( 29) = ( 0.1284404 -0.1284404 0.1284404), wk = 0.0019380 k( 30) = ( 0.1330275 -0.1330275 0.1330275), wk = 0.0019380 k( 31) = ( 0.1376147 -0.1376147 0.1376147), wk = 0.0019380 k( 32) = ( 0.1422018 -0.1422018 0.1422018), wk = 0.0019380 k( 33) = ( 0.1467890 -0.1467890 0.1467890), wk = 0.0019380 k( 34) = ( 0.1513761 -0.1513761 0.1513762), wk = 0.0019380 k( 35) = ( 0.1559633 -0.1559633 0.1559633), wk = 0.0019380 k( 36) = ( 0.1605505 -0.1605505 0.1605505), wk = 0.0019380 k( 37) = ( 0.1651376 -0.1651376 0.1651376), wk = 0.0019380 k( 38) = ( 0.1697248 -0.1697248 0.1697248), wk = 0.0019380 k( 39) = ( 0.1743119 -0.1743119 0.1743119), wk = 0.0019380 k( 40) = ( 0.1788991 -0.1788991 0.1788991), wk = 0.0019380 k( 41) = ( 0.1834862 -0.1834862 0.1834862), wk = 0.0019380 k( 42) = ( 0.1880734 -0.1880734 0.1880734), wk = 0.0019380 k( 43) = ( 0.1926606 -0.1926606 0.1926606), wk = 0.0019380 k( 44) = ( 0.1972477 -0.1972477 0.1972477), wk = 0.0019380 k( 45) = ( 0.2018349 -0.2018349 0.2018349), wk = 0.0019380 k( 46) = ( 0.2064220 -0.2064220 0.2064220), wk = 0.0019380 k( 47) = ( 0.2110092 -0.2110092 0.2110092), wk = 0.0019380 k( 48) = ( 0.2155963 -0.2155963 0.2155963), wk = 0.0019380 k( 49) = ( 0.2201835 -0.2201835 0.2201835), wk = 0.0019380 k( 50) = ( 0.2247706 -0.2247706 0.2247706), wk = 0.0019380 k( 51) = ( 0.2293578 -0.2293578 0.2293578), wk = 0.0019380 k( 52) = ( 0.2339450 -0.2339449 0.2339449), wk = 0.0019380 k( 53) = ( 0.2385321 -0.2385321 0.2385321), wk = 0.0019380 k( 54) = ( 0.2431193 -0.2431193 0.2431193), wk = 0.0019380 k( 55) = ( 0.2477064 -0.2477064 0.2477064), wk = 0.0019380 k( 56) = ( 0.2522936 -0.2522936 0.2522936), wk = 0.0019380 k( 57) = ( 0.2568807 -0.2568807 0.2568807), wk = 0.0019380 k( 58) = ( 0.2614679 -0.2614679 0.2614679), wk = 0.0019380 k( 59) = ( 0.2660551 -0.2660551 0.2660551), wk = 0.0019380 k( 60) = ( 0.2706422 -0.2706422 0.2706422), wk = 0.0019380 k( 61) = ( 0.2752294 -0.2752294 0.2752294), wk = 0.0019380 k( 62) = ( 0.2798165 -0.2798165 0.2798165), wk = 0.0019380 k( 63) = ( 0.2844037 -0.2844037 0.2844037), wk = 0.0019380 k( 64) = ( 0.2889908 -0.2889908 0.2889908), wk = 0.0019380 k( 65) = ( 0.2935780 -0.2935780 0.2935780), wk = 0.0019380 k( 66) = ( 0.2981651 -0.2981651 0.2981651), wk = 0.0019380 k( 67) = ( 0.3027523 -0.3027523 0.3027523), wk = 0.0019380 k( 68) = ( 0.3073395 -0.3073395 0.3073395), wk = 0.0019380 k( 69) = ( 0.3119266 -0.3119266 0.3119266), wk = 0.0019380 k( 70) = ( 0.3165138 -0.3165138 0.3165138), wk = 0.0019380 k( 71) = ( 0.3211009 -0.3211009 0.3211009), wk = 0.0019380 k( 72) = ( 0.3256881 -0.3256881 0.3256881), wk = 0.0019380 k( 73) = ( 0.3302752 -0.3302752 0.3302752), wk = 0.0019380 k( 74) = ( 0.3348624 -0.3348624 0.3348624), wk = 0.0019380 k( 75) = ( 0.3394495 -0.3394495 0.3394495), wk = 0.0019380 k( 76) = ( 0.3440367 -0.3440367 0.3440367), wk = 0.0019380 k( 77) = ( 0.3486239 -0.3486238 0.3486239), wk = 0.0019380 k( 78) = ( 0.3532110 -0.3532110 0.3532110), wk = 0.0019380 k( 79) = ( 0.3577982 -0.3577982 0.3577982), wk = 0.0019380 k( 80) = ( 0.3623853 -0.3623853 0.3623853), wk = 0.0019380 k( 81) = ( 0.3669725 -0.3669725 0.3669725), wk = 0.0019380 k( 82) = ( 0.3715596 -0.3715596 0.3715596), wk = 0.0019380 k( 83) = ( 0.3761468 -0.3761468 0.3761468), wk = 0.0019380 k( 84) = ( 0.3807339 -0.3807339 0.3807339), wk = 0.0019380 k( 85) = ( 0.3853211 -0.3853211 0.3853211), wk = 0.0019380 k( 86) = ( 0.3899083 -0.3899083 0.3899083), wk = 0.0019380 k( 87) = ( 0.3944954 -0.3944954 0.3944954), wk = 0.0019380 k( 88) = ( 0.3990826 -0.3990826 0.3990826), wk = 0.0019380 k( 89) = ( 0.4036697 -0.4036697 0.4036697), wk = 0.0019380 k( 90) = ( 0.4082569 -0.4082569 0.4082569), wk = 0.0019380 k( 91) = ( 0.4128440 -0.4128440 0.4128440), wk = 0.0019380 k( 92) = ( 0.4174312 -0.4174312 0.4174312), wk = 0.0019380 k( 93) = ( 0.4220183 -0.4220183 0.4220183), wk = 0.0019380 k( 94) = ( 0.4266055 -0.4266055 0.4266055), wk = 0.0019380 k( 95) = ( 0.4311927 -0.4311927 0.4311927), wk = 0.0019380 k( 96) = ( 0.4357798 -0.4357798 0.4357798), wk = 0.0019380 k( 97) = ( 0.4403670 -0.4403670 0.4403670), wk = 0.0019380 k( 98) = ( 0.4449541 -0.4449541 0.4449541), wk = 0.0019380 k( 99) = ( 0.4495413 -0.4495413 0.4495413), wk = 0.0019380 k( 100) = ( 0.4541284 -0.4541284 0.4541284), wk = 0.0019380 k( 101) = ( 0.4587156 -0.4587156 0.4587156), wk = 0.0019380 k( 102) = ( 0.4633027 -0.4633027 0.4633028), wk = 0.0019380 k( 103) = ( 0.4678899 -0.4678899 0.4678899), wk = 0.0019380 k( 104) = ( 0.4724771 -0.4724771 0.4724771), wk = 0.0019380 k( 105) = ( 0.4770642 -0.4770642 0.4770642), wk = 0.0019380 k( 106) = ( 0.4816514 -0.4816514 0.4816514), wk = 0.0019380 k( 107) = ( 0.4862385 -0.4862385 0.4862385), wk = 0.0019380 k( 108) = ( 0.4908257 -0.4908257 0.4908257), wk = 0.0019380 k( 109) = ( 0.4954128 -0.4954128 0.4954128), wk = 0.0019380 k( 110) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019380 k( 111) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019380 k( 112) = ( 0.4935897 -0.4935897 0.5000000), wk = 0.0019380 k( 113) = ( 0.4871795 -0.4871795 0.5000000), wk = 0.0019380 k( 114) = ( 0.4807692 -0.4807692 0.5000000), wk = 0.0019380 k( 115) = ( 0.4743590 -0.4743590 0.5000000), wk = 0.0019380 k( 116) = ( 0.4679487 -0.4679487 0.5000000), wk = 0.0019380 k( 117) = ( 0.4615385 -0.4615385 0.5000000), wk = 0.0019380 k( 118) = ( 0.4551282 -0.4551282 0.5000000), wk = 0.0019380 k( 119) = ( 0.4487179 -0.4487179 0.5000000), wk = 0.0019380 k( 120) = ( 0.4423077 -0.4423077 0.5000000), wk = 0.0019380 k( 121) = ( 0.4358974 -0.4358974 0.5000000), wk = 0.0019380 k( 122) = ( 0.4294872 -0.4294872 0.5000000), wk = 0.0019380 k( 123) = ( 0.4230769 -0.4230769 0.5000000), wk = 0.0019380 k( 124) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0019380 k( 125) = ( 0.4102564 -0.4102564 0.5000000), wk = 0.0019380 k( 126) = ( 0.4038462 -0.4038461 0.5000000), wk = 0.0019380 k( 127) = ( 0.3974359 -0.3974359 0.5000000), wk = 0.0019380 k( 128) = ( 0.3910256 -0.3910256 0.5000000), wk = 0.0019380 k( 129) = ( 0.3846154 -0.3846154 0.5000000), wk = 0.0019380 k( 130) = ( 0.3782051 -0.3782051 0.5000000), wk = 0.0019380 k( 131) = ( 0.3717949 -0.3717949 0.5000000), wk = 0.0019380 k( 132) = ( 0.3653846 -0.3653846 0.5000000), wk = 0.0019380 k( 133) = ( 0.3589744 -0.3589744 0.5000000), wk = 0.0019380 k( 134) = ( 0.3525641 -0.3525641 0.5000000), wk = 0.0019380 k( 135) = ( 0.3461538 -0.3461538 0.5000000), wk = 0.0019380 k( 136) = ( 0.3397436 -0.3397436 0.5000000), wk = 0.0019380 k( 137) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0019380 k( 138) = ( 0.3269231 -0.3269231 0.5000000), wk = 0.0019380 k( 139) = ( 0.3205128 -0.3205128 0.5000000), wk = 0.0019380 k( 140) = ( 0.3141026 -0.3141026 0.5000000), wk = 0.0019380 k( 141) = ( 0.3076923 -0.3076923 0.5000000), wk = 0.0019380 k( 142) = ( 0.3012821 -0.3012820 0.5000000), wk = 0.0019380 k( 143) = ( 0.2948718 -0.2948718 0.5000000), wk = 0.0019380 k( 144) = ( 0.2884615 -0.2884615 0.5000000), wk = 0.0019380 k( 145) = ( 0.2820513 -0.2820513 0.5000000), wk = 0.0019380 k( 146) = ( 0.2756410 -0.2756410 0.5000000), wk = 0.0019380 k( 147) = ( 0.2692308 -0.2692308 0.5000000), wk = 0.0019380 k( 148) = ( 0.2628205 -0.2628205 0.5000000), wk = 0.0019380 k( 149) = ( 0.2564103 -0.2564103 0.5000000), wk = 0.0019380 k( 150) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0019380 k( 151) = ( 0.2435897 -0.2435897 0.5000000), wk = 0.0019380 k( 152) = ( 0.2371795 -0.2371795 0.5000000), wk = 0.0019380 k( 153) = ( 0.2307692 -0.2307692 0.5000000), wk = 0.0019380 k( 154) = ( 0.2243590 -0.2243590 0.5000000), wk = 0.0019380 k( 155) = ( 0.2179487 -0.2179487 0.5000000), wk = 0.0019380 k( 156) = ( 0.2115385 -0.2115385 0.5000000), wk = 0.0019380 k( 157) = ( 0.2051282 -0.2051282 0.5000000), wk = 0.0019380 k( 158) = ( 0.1987180 -0.1987179 0.5000000), wk = 0.0019380 k( 159) = ( 0.1923077 -0.1923077 0.5000000), wk = 0.0019380 k( 160) = ( 0.1858974 -0.1858974 0.5000000), wk = 0.0019380 k( 161) = ( 0.1794872 -0.1794872 0.5000000), wk = 0.0019380 k( 162) = ( 0.1730769 -0.1730769 0.5000000), wk = 0.0019380 k( 163) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0019380 k( 164) = ( 0.1602564 -0.1602564 0.5000000), wk = 0.0019380 k( 165) = ( 0.1538461 -0.1538461 0.5000000), wk = 0.0019380 k( 166) = ( 0.1474359 -0.1474359 0.5000000), wk = 0.0019380 k( 167) = ( 0.1410256 -0.1410256 0.5000000), wk = 0.0019380 k( 168) = ( 0.1346154 -0.1346154 0.5000000), wk = 0.0019380 k( 169) = ( 0.1282051 -0.1282051 0.5000000), wk = 0.0019380 k( 170) = ( 0.1217949 -0.1217949 0.5000000), wk = 0.0019380 k( 171) = ( 0.1153846 -0.1153846 0.5000000), wk = 0.0019380 k( 172) = ( 0.1089744 -0.1089744 0.5000000), wk = 0.0019380 k( 173) = ( 0.1025641 -0.1025641 0.5000000), wk = 0.0019380 k( 174) = ( 0.0961538 -0.0961538 0.5000000), wk = 0.0019380 k( 175) = ( 0.0897436 -0.0897436 0.5000000), wk = 0.0019380 k( 176) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0019380 k( 177) = ( 0.0769231 -0.0769231 0.5000000), wk = 0.0019380 k( 178) = ( 0.0705128 -0.0705128 0.5000000), wk = 0.0019380 k( 179) = ( 0.0641026 -0.0641026 0.5000000), wk = 0.0019380 k( 180) = ( 0.0576923 -0.0576923 0.5000000), wk = 0.0019380 k( 181) = ( 0.0512821 -0.0512820 0.5000000), wk = 0.0019380 k( 182) = ( 0.0448718 -0.0448718 0.5000000), wk = 0.0019380 k( 183) = ( 0.0384615 -0.0384615 0.5000000), wk = 0.0019380 k( 184) = ( 0.0320513 -0.0320513 0.5000000), wk = 0.0019380 k( 185) = ( 0.0256410 -0.0256410 0.5000000), wk = 0.0019380 k( 186) = ( 0.0192308 -0.0192308 0.5000000), wk = 0.0019380 k( 187) = ( 0.0128205 -0.0128205 0.5000000), wk = 0.0019380 k( 188) = ( 0.0064103 -0.0064103 0.5000000), wk = 0.0019380 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019380 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019380 k( 191) = ( 0.0000000 0.0000000 0.4935897), wk = 0.0019380 k( 192) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0019380 k( 193) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0019380 k( 194) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0019380 k( 195) = ( 0.0000000 0.0000000 0.4679487), wk = 0.0019380 k( 196) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0019380 k( 197) = ( 0.0000000 0.0000000 0.4551282), wk = 0.0019380 k( 198) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0019380 k( 199) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0019380 k( 200) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0019380 k( 201) = ( 0.0000000 0.0000000 0.4294872), wk = 0.0019380 k( 202) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0019380 k( 203) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0019380 k( 204) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0019380 k( 205) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0019380 k( 206) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0019380 k( 207) = ( 0.0000000 0.0000000 0.3910256), wk = 0.0019380 k( 208) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0019380 k( 209) = ( 0.0000000 0.0000000 0.3782051), wk = 0.0019380 k( 210) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0019380 k( 211) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0019380 k( 212) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0019380 k( 213) = ( 0.0000000 0.0000000 0.3525641), wk = 0.0019380 k( 214) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0019380 k( 215) = ( 0.0000000 0.0000000 0.3397436), wk = 0.0019380 k( 216) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019380 k( 217) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0019380 k( 218) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0019380 k( 219) = ( 0.0000000 0.0000000 0.3141026), wk = 0.0019380 k( 220) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0019380 k( 221) = ( 0.0000000 0.0000000 0.3012821), wk = 0.0019380 k( 222) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0019380 k( 223) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0019380 k( 224) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0019380 k( 225) = ( 0.0000000 0.0000000 0.2756410), wk = 0.0019380 k( 226) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0019380 k( 227) = ( 0.0000000 0.0000000 0.2628205), wk = 0.0019380 k( 228) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0019380 k( 229) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019380 k( 230) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0019380 k( 231) = ( 0.0000000 0.0000000 0.2371795), wk = 0.0019380 k( 232) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0019380 k( 233) = ( 0.0000000 0.0000000 0.2243590), wk = 0.0019380 k( 234) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0019380 k( 235) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0019380 k( 236) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0019380 k( 237) = ( 0.0000000 0.0000000 0.1987180), wk = 0.0019380 k( 238) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0019380 k( 239) = ( 0.0000000 0.0000000 0.1858974), wk = 0.0019380 k( 240) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0019380 k( 241) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0019380 k( 242) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019380 k( 243) = ( 0.0000000 0.0000000 0.1602564), wk = 0.0019380 k( 244) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0019380 k( 245) = ( 0.0000000 0.0000000 0.1474359), wk = 0.0019380 k( 246) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0019380 k( 247) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0019380 k( 248) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0019380 k( 249) = ( 0.0000000 0.0000000 0.1217949), wk = 0.0019380 k( 250) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0019380 k( 251) = ( 0.0000000 0.0000000 0.1089744), wk = 0.0019380 k( 252) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0019380 k( 253) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0019380 k( 254) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0019380 k( 255) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0019380 k( 256) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0019380 k( 257) = ( 0.0000000 0.0000000 0.0705128), wk = 0.0019380 k( 258) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0019380 k( 259) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0019380 k( 260) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0019380 k( 261) = ( 0.0000000 0.0000000 0.0448718), wk = 0.0019380 k( 262) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0019380 k( 263) = ( 0.0000000 0.0000000 0.0320513), wk = 0.0019380 k( 264) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0019380 k( 265) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0019380 k( 266) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0019380 k( 267) = ( 0.0000000 0.0000000 0.0064103), wk = 0.0019380 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019380 k( 270) = ( 0.0026316 0.0026316 0.0026316), wk = 0.0019380 k( 271) = ( 0.0052632 0.0052632 0.0052632), wk = 0.0019380 k( 272) = ( 0.0078947 0.0078947 0.0078947), wk = 0.0019380 k( 273) = ( 0.0105263 0.0105263 0.0105263), wk = 0.0019380 k( 274) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0019380 k( 275) = ( 0.0157895 0.0157895 0.0157895), wk = 0.0019380 k( 276) = ( 0.0184211 0.0184211 0.0184211), wk = 0.0019380 k( 277) = ( 0.0210526 0.0210526 0.0210526), wk = 0.0019380 k( 278) = ( 0.0236842 0.0236842 0.0236842), wk = 0.0019380 k( 279) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0019380 k( 280) = ( 0.0289474 0.0289474 0.0289474), wk = 0.0019380 k( 281) = ( 0.0315790 0.0315790 0.0315790), wk = 0.0019380 k( 282) = ( 0.0342105 0.0342105 0.0342105), wk = 0.0019380 k( 283) = ( 0.0368421 0.0368421 0.0368421), wk = 0.0019380 k( 284) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0019380 k( 285) = ( 0.0421053 0.0421053 0.0421053), wk = 0.0019380 k( 286) = ( 0.0447368 0.0447368 0.0447368), wk = 0.0019380 k( 287) = ( 0.0473684 0.0473684 0.0473684), wk = 0.0019380 k( 288) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0019380 k( 289) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0019380 k( 290) = ( 0.0552632 0.0552632 0.0552632), wk = 0.0019380 k( 291) = ( 0.0578947 0.0578947 0.0578947), wk = 0.0019380 k( 292) = ( 0.0605263 0.0605263 0.0605263), wk = 0.0019380 k( 293) = ( 0.0631579 0.0631579 0.0631579), wk = 0.0019380 k( 294) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0019380 k( 295) = ( 0.0684210 0.0684210 0.0684211), wk = 0.0019380 k( 296) = ( 0.0710526 0.0710526 0.0710526), wk = 0.0019380 k( 297) = ( 0.0736842 0.0736842 0.0736842), wk = 0.0019380 k( 298) = ( 0.0763158 0.0763158 0.0763158), wk = 0.0019380 k( 299) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0019380 k( 300) = ( 0.0815789 0.0815789 0.0815790), wk = 0.0019380 k( 301) = ( 0.0842105 0.0842105 0.0842105), wk = 0.0019380 k( 302) = ( 0.0868421 0.0868421 0.0868421), wk = 0.0019380 k( 303) = ( 0.0894737 0.0894737 0.0894737), wk = 0.0019380 k( 304) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0019380 k( 305) = ( 0.0947368 0.0947368 0.0947368), wk = 0.0019380 k( 306) = ( 0.0973684 0.0973684 0.0973684), wk = 0.0019380 k( 307) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0019380 k( 308) = ( 0.1026316 0.1026316 0.1026316), wk = 0.0019380 k( 309) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0019380 k( 310) = ( 0.1078947 0.1078947 0.1078947), wk = 0.0019380 k( 311) = ( 0.1105263 0.1105263 0.1105263), wk = 0.0019380 k( 312) = ( 0.1131579 0.1131579 0.1131579), wk = 0.0019380 k( 313) = ( 0.1157895 0.1157895 0.1157895), wk = 0.0019380 k( 314) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0019380 k( 315) = ( 0.1210526 0.1210526 0.1210526), wk = 0.0019380 k( 316) = ( 0.1236842 0.1236842 0.1236842), wk = 0.0019380 k( 317) = ( 0.1263158 0.1263158 0.1263158), wk = 0.0019380 k( 318) = ( 0.1289474 0.1289474 0.1289474), wk = 0.0019380 k( 319) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0019380 k( 320) = ( 0.1342105 0.1342105 0.1342105), wk = 0.0019380 k( 321) = ( 0.1368421 0.1368421 0.1368421), wk = 0.0019380 k( 322) = ( 0.1394737 0.1394737 0.1394737), wk = 0.0019380 k( 323) = ( 0.1421053 0.1421053 0.1421053), wk = 0.0019380 k( 324) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0019380 k( 325) = ( 0.1473684 0.1473684 0.1473684), wk = 0.0019380 k( 326) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0019380 k( 327) = ( 0.1526316 0.1526316 0.1526316), wk = 0.0019380 k( 328) = ( 0.1552632 0.1552632 0.1552632), wk = 0.0019380 k( 329) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0019380 k( 330) = ( 0.1605263 0.1605263 0.1605263), wk = 0.0019380 k( 331) = ( 0.1631579 0.1631579 0.1631579), wk = 0.0019380 k( 332) = ( 0.1657895 0.1657895 0.1657895), wk = 0.0019380 k( 333) = ( 0.1684210 0.1684210 0.1684211), wk = 0.0019380 k( 334) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0019380 k( 335) = ( 0.1736842 0.1736842 0.1736842), wk = 0.0019380 k( 336) = ( 0.1763158 0.1763158 0.1763158), wk = 0.0019380 k( 337) = ( 0.1789474 0.1789474 0.1789474), wk = 0.0019380 k( 338) = ( 0.1815789 0.1815789 0.1815790), wk = 0.0019380 k( 339) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0019380 k( 340) = ( 0.1868421 0.1868421 0.1868421), wk = 0.0019380 k( 341) = ( 0.1894737 0.1894737 0.1894737), wk = 0.0019380 k( 342) = ( 0.1921053 0.1921053 0.1921053), wk = 0.0019380 k( 343) = ( 0.1947368 0.1947368 0.1947368), wk = 0.0019380 k( 344) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0019380 k( 345) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0019380 k( 346) = ( 0.2026316 0.2026316 0.2026316), wk = 0.0019380 k( 347) = ( 0.2052632 0.2052632 0.2052632), wk = 0.0019380 k( 348) = ( 0.2078947 0.2078947 0.2078947), wk = 0.0019380 k( 349) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0019380 k( 350) = ( 0.2131579 0.2131579 0.2131579), wk = 0.0019380 k( 351) = ( 0.2157895 0.2157895 0.2157895), wk = 0.0019380 k( 352) = ( 0.2184211 0.2184211 0.2184211), wk = 0.0019380 k( 353) = ( 0.2210526 0.2210526 0.2210526), wk = 0.0019380 k( 354) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0019380 k( 355) = ( 0.2263158 0.2263158 0.2263158), wk = 0.0019380 k( 356) = ( 0.2289474 0.2289474 0.2289474), wk = 0.0019380 k( 357) = ( 0.2315790 0.2315790 0.2315790), wk = 0.0019380 k( 358) = ( 0.2342105 0.2342105 0.2342105), wk = 0.0019380 k( 359) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0019380 k( 360) = ( 0.2394737 0.2394737 0.2394737), wk = 0.0019380 k( 361) = ( 0.2421053 0.2421053 0.2421053), wk = 0.0019380 k( 362) = ( 0.2447368 0.2447368 0.2447368), wk = 0.0019380 k( 363) = ( 0.2473684 0.2473684 0.2473684), wk = 0.0019380 k( 364) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019380 k( 365) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019380 k( 366) = ( 0.2526316 0.2421053 0.2526316), wk = 0.0019380 k( 367) = ( 0.2552632 0.2342105 0.2552632), wk = 0.0019380 k( 368) = ( 0.2578947 0.2263158 0.2578947), wk = 0.0019380 k( 369) = ( 0.2605263 0.2184211 0.2605263), wk = 0.0019380 k( 370) = ( 0.2631579 0.2105263 0.2631579), wk = 0.0019380 k( 371) = ( 0.2657895 0.2026316 0.2657895), wk = 0.0019380 k( 372) = ( 0.2684210 0.1947368 0.2684210), wk = 0.0019380 k( 373) = ( 0.2710526 0.1868421 0.2710526), wk = 0.0019380 k( 374) = ( 0.2736842 0.1789474 0.2736842), wk = 0.0019380 k( 375) = ( 0.2763158 0.1710526 0.2763158), wk = 0.0019380 k( 376) = ( 0.2789474 0.1631579 0.2789474), wk = 0.0019380 k( 377) = ( 0.2815789 0.1552632 0.2815789), wk = 0.0019380 k( 378) = ( 0.2842105 0.1473684 0.2842105), wk = 0.0019380 k( 379) = ( 0.2868421 0.1394737 0.2868421), wk = 0.0019380 k( 380) = ( 0.2894737 0.1315790 0.2894737), wk = 0.0019380 k( 381) = ( 0.2921053 0.1236842 0.2921053), wk = 0.0019380 k( 382) = ( 0.2947368 0.1157895 0.2947368), wk = 0.0019380 k( 383) = ( 0.2973684 0.1078947 0.2973684), wk = 0.0019380 k( 384) = ( 0.3000000 0.1000000 0.3000000), wk = 0.0019380 k( 385) = ( 0.3026316 0.0921053 0.3026316), wk = 0.0019380 k( 386) = ( 0.3052632 0.0842105 0.3052632), wk = 0.0019380 k( 387) = ( 0.3078947 0.0763158 0.3078947), wk = 0.0019380 k( 388) = ( 0.3105263 0.0684210 0.3105263), wk = 0.0019380 k( 389) = ( 0.3131579 0.0605263 0.3131579), wk = 0.0019380 k( 390) = ( 0.3157895 0.0526316 0.3157895), wk = 0.0019380 k( 391) = ( 0.3184210 0.0447368 0.3184210), wk = 0.0019380 k( 392) = ( 0.3210526 0.0368421 0.3210526), wk = 0.0019380 k( 393) = ( 0.3236842 0.0289474 0.3236842), wk = 0.0019380 k( 394) = ( 0.3263158 0.0210526 0.3263158), wk = 0.0019380 k( 395) = ( 0.3289474 0.0131579 0.3289474), wk = 0.0019380 k( 396) = ( 0.3315789 0.0052632 0.3315789), wk = 0.0019380 k( 397) = ( 0.3342105 -0.0026316 0.3342105), wk = 0.0019380 k( 398) = ( 0.3368421 -0.0105263 0.3368421), wk = 0.0019380 k( 399) = ( 0.3394737 -0.0184210 0.3394737), wk = 0.0019380 k( 400) = ( 0.3421053 -0.0263158 0.3421053), wk = 0.0019380 k( 401) = ( 0.3447368 -0.0342105 0.3447368), wk = 0.0019380 k( 402) = ( 0.3473684 -0.0421053 0.3473684), wk = 0.0019380 k( 403) = ( 0.3500000 -0.0500000 0.3500000), wk = 0.0019380 k( 404) = ( 0.3526316 -0.0578947 0.3526316), wk = 0.0019380 k( 405) = ( 0.3552632 -0.0657895 0.3552632), wk = 0.0019380 k( 406) = ( 0.3578947 -0.0736842 0.3578947), wk = 0.0019380 k( 407) = ( 0.3605263 -0.0815789 0.3605263), wk = 0.0019380 k( 408) = ( 0.3631579 -0.0894737 0.3631579), wk = 0.0019380 k( 409) = ( 0.3657895 -0.0973684 0.3657895), wk = 0.0019380 k( 410) = ( 0.3684211 -0.1052632 0.3684211), wk = 0.0019380 k( 411) = ( 0.3710526 -0.1131579 0.3710526), wk = 0.0019380 k( 412) = ( 0.3736842 -0.1210526 0.3736842), wk = 0.0019380 k( 413) = ( 0.3763158 -0.1289474 0.3763158), wk = 0.0019380 k( 414) = ( 0.3789474 -0.1368421 0.3789474), wk = 0.0019380 k( 415) = ( 0.3815789 -0.1447368 0.3815789), wk = 0.0019380 k( 416) = ( 0.3842105 -0.1526316 0.3842105), wk = 0.0019380 k( 417) = ( 0.3868421 -0.1605263 0.3868421), wk = 0.0019380 k( 418) = ( 0.3894737 -0.1684210 0.3894737), wk = 0.0019380 k( 419) = ( 0.3921053 -0.1763158 0.3921053), wk = 0.0019380 k( 420) = ( 0.3947368 -0.1842105 0.3947368), wk = 0.0019380 k( 421) = ( 0.3973684 -0.1921053 0.3973684), wk = 0.0019380 k( 422) = ( 0.4000000 -0.2000000 0.4000000), wk = 0.0019380 k( 423) = ( 0.4026316 -0.2078947 0.4026316), wk = 0.0019380 k( 424) = ( 0.4052632 -0.2157895 0.4052632), wk = 0.0019380 k( 425) = ( 0.4078947 -0.2236842 0.4078947), wk = 0.0019380 k( 426) = ( 0.4105263 -0.2315789 0.4105263), wk = 0.0019380 k( 427) = ( 0.4131579 -0.2394737 0.4131579), wk = 0.0019380 k( 428) = ( 0.4157895 -0.2473684 0.4157895), wk = 0.0019380 k( 429) = ( 0.4184211 -0.2552632 0.4184211), wk = 0.0019380 k( 430) = ( 0.4210526 -0.2631579 0.4210526), wk = 0.0019380 k( 431) = ( 0.4236842 -0.2710526 0.4236842), wk = 0.0019380 k( 432) = ( 0.4263158 -0.2789474 0.4263158), wk = 0.0019380 k( 433) = ( 0.4289474 -0.2868421 0.4289474), wk = 0.0019380 k( 434) = ( 0.4315790 -0.2947368 0.4315789), wk = 0.0019380 k( 435) = ( 0.4342105 -0.3026316 0.4342105), wk = 0.0019380 k( 436) = ( 0.4368421 -0.3105263 0.4368421), wk = 0.0019380 k( 437) = ( 0.4394737 -0.3184210 0.4394737), wk = 0.0019380 k( 438) = ( 0.4421053 -0.3263158 0.4421053), wk = 0.0019380 k( 439) = ( 0.4447368 -0.3342105 0.4447368), wk = 0.0019380 k( 440) = ( 0.4473684 -0.3421053 0.4473684), wk = 0.0019380 k( 441) = ( 0.4500000 -0.3500000 0.4500000), wk = 0.0019380 k( 442) = ( 0.4526316 -0.3578947 0.4526316), wk = 0.0019380 k( 443) = ( 0.4552632 -0.3657895 0.4552632), wk = 0.0019380 k( 444) = ( 0.4578947 -0.3736842 0.4578947), wk = 0.0019380 k( 445) = ( 0.4605263 -0.3815789 0.4605263), wk = 0.0019380 k( 446) = ( 0.4631579 -0.3894737 0.4631579), wk = 0.0019380 k( 447) = ( 0.4657895 -0.3973684 0.4657895), wk = 0.0019380 k( 448) = ( 0.4684211 -0.4052632 0.4684211), wk = 0.0019380 k( 449) = ( 0.4710526 -0.4131579 0.4710526), wk = 0.0019380 k( 450) = ( 0.4736842 -0.4210526 0.4736842), wk = 0.0019380 k( 451) = ( 0.4763158 -0.4289474 0.4763158), wk = 0.0019380 k( 452) = ( 0.4789474 -0.4368421 0.4789474), wk = 0.0019380 k( 453) = ( 0.4815790 -0.4447368 0.4815790), wk = 0.0019380 k( 454) = ( 0.4842105 -0.4526316 0.4842105), wk = 0.0019380 k( 455) = ( 0.4868421 -0.4605263 0.4868421), wk = 0.0019380 k( 456) = ( 0.4894737 -0.4684211 0.4894737), wk = 0.0019380 k( 457) = ( 0.4921053 -0.4763158 0.4921053), wk = 0.0019380 k( 458) = ( 0.4947368 -0.4842105 0.4947368), wk = 0.0019380 k( 459) = ( 0.4973684 -0.4921053 0.4973684), wk = 0.0019380 k( 460) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019380 k( 461) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019380 k( 462) = ( 0.2454545 0.2454545 0.2545455), wk = 0.0019380 k( 463) = ( 0.2409091 0.2409091 0.2590909), wk = 0.0019380 k( 464) = ( 0.2363636 0.2363636 0.2636364), wk = 0.0019380 k( 465) = ( 0.2318182 0.2318182 0.2681818), wk = 0.0019380 k( 466) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0019380 k( 467) = ( 0.2227273 0.2227273 0.2772727), wk = 0.0019380 k( 468) = ( 0.2181818 0.2181818 0.2818182), wk = 0.0019380 k( 469) = ( 0.2136364 0.2136364 0.2863636), wk = 0.0019380 k( 470) = ( 0.2090909 0.2090909 0.2909091), wk = 0.0019380 k( 471) = ( 0.2045454 0.2045455 0.2954545), wk = 0.0019380 k( 472) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0019380 k( 473) = ( 0.1954546 0.1954546 0.3045454), wk = 0.0019380 k( 474) = ( 0.1909091 0.1909091 0.3090909), wk = 0.0019380 k( 475) = ( 0.1863636 0.1863636 0.3136364), wk = 0.0019380 k( 476) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0019380 k( 477) = ( 0.1772727 0.1772727 0.3227273), wk = 0.0019380 k( 478) = ( 0.1727273 0.1727273 0.3272727), wk = 0.0019380 k( 479) = ( 0.1681818 0.1681818 0.3318182), wk = 0.0019380 k( 480) = ( 0.1636364 0.1636364 0.3363636), wk = 0.0019380 k( 481) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0019380 k( 482) = ( 0.1545455 0.1545455 0.3454546), wk = 0.0019380 k( 483) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0019380 k( 484) = ( 0.1454545 0.1454545 0.3545455), wk = 0.0019380 k( 485) = ( 0.1409091 0.1409091 0.3590909), wk = 0.0019380 k( 486) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0019380 k( 487) = ( 0.1318182 0.1318182 0.3681818), wk = 0.0019380 k( 488) = ( 0.1272727 0.1272727 0.3727273), wk = 0.0019380 k( 489) = ( 0.1227273 0.1227273 0.3772727), wk = 0.0019380 k( 490) = ( 0.1181818 0.1181818 0.3818182), wk = 0.0019380 k( 491) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0019380 k( 492) = ( 0.1090909 0.1090909 0.3909091), wk = 0.0019380 k( 493) = ( 0.1045454 0.1045454 0.3954546), wk = 0.0019380 k( 494) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0019380 k( 495) = ( 0.0954545 0.0954545 0.4045454), wk = 0.0019380 k( 496) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0019380 k( 497) = ( 0.0863636 0.0863636 0.4136364), wk = 0.0019380 k( 498) = ( 0.0818182 0.0818182 0.4181818), wk = 0.0019380 k( 499) = ( 0.0772727 0.0772727 0.4227273), wk = 0.0019380 k( 500) = ( 0.0727273 0.0727273 0.4272727), wk = 0.0019380 k( 501) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0019380 k( 502) = ( 0.0636364 0.0636364 0.4363636), wk = 0.0019380 k( 503) = ( 0.0590909 0.0590909 0.4409091), wk = 0.0019380 k( 504) = ( 0.0545455 0.0545454 0.4454546), wk = 0.0019380 k( 505) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0019380 k( 506) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0019380 k( 507) = ( 0.0409091 0.0409091 0.4590909), wk = 0.0019380 k( 508) = ( 0.0363636 0.0363636 0.4636364), wk = 0.0019380 k( 509) = ( 0.0318182 0.0318182 0.4681818), wk = 0.0019380 k( 510) = ( 0.0272727 0.0272727 0.4727273), wk = 0.0019380 k( 511) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0019380 k( 512) = ( 0.0181818 0.0181818 0.4818182), wk = 0.0019380 k( 513) = ( 0.0136364 0.0136364 0.4863636), wk = 0.0019380 k( 514) = ( 0.0090909 0.0090909 0.4909091), wk = 0.0019380 k( 515) = ( 0.0045455 0.0045455 0.4954545), wk = 0.0019380 k( 516) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019380 Dense grid: 7803 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 62, 22) NL pseudopotentials 0.02 Mb ( 31, 34) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 218) G-vector shells 0.00 Mb ( 64) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 62, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Cr.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 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 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.6 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.8 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.1 secs Computing kpt #: 18 total cpu time spent up to now is 3.2 secs Computing kpt #: 19 total cpu time spent up to now is 3.3 secs Computing kpt #: 20 total cpu time spent up to now is 3.3 secs Computing kpt #: 21 total cpu time spent up to now is 3.4 secs Computing kpt #: 22 total cpu time spent up to now is 3.5 secs Computing kpt #: 23 total cpu time spent up to now is 3.5 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.7 secs Computing kpt #: 26 total cpu time spent up to now is 3.7 secs Computing kpt #: 27 total cpu time spent up to now is 3.8 secs Computing kpt #: 28 total cpu time spent up to now is 3.9 secs Computing kpt #: 29 total cpu time spent up to now is 3.9 secs Computing kpt #: 30 total cpu time spent up to now is 4.0 secs Computing kpt #: 31 total cpu time spent up to now is 4.1 secs Computing kpt #: 32 total cpu time spent up to now is 4.1 secs Computing kpt #: 33 total cpu time spent up to now is 4.2 secs Computing kpt #: 34 total cpu time spent up to now is 4.2 secs Computing kpt #: 35 total cpu time spent up to now is 4.3 secs Computing kpt #: 36 total cpu time spent up to now is 4.4 secs Computing kpt #: 37 total cpu time spent up to now is 4.4 secs Computing kpt #: 38 total cpu time spent up to now is 4.5 secs Computing kpt #: 39 total cpu time spent up to now is 4.6 secs Computing kpt #: 40 total cpu time spent up to now is 4.6 secs Computing kpt #: 41 total cpu time spent up to now is 4.7 secs Computing kpt #: 42 total cpu time spent up to now is 4.8 secs Computing kpt #: 43 total cpu time spent up to now is 4.8 secs Computing kpt #: 44 total cpu time spent up to now is 4.9 secs Computing kpt #: 45 total cpu time spent up to now is 5.0 secs Computing kpt #: 46 total cpu time spent up to now is 5.0 secs Computing kpt #: 47 total cpu time spent up to now is 5.1 secs Computing kpt #: 48 total cpu time spent up to now is 5.2 secs Computing kpt #: 49 total cpu time spent up to now is 5.3 secs Computing kpt #: 50 total cpu time spent up to now is 5.4 secs Computing kpt #: 51 total cpu time spent up to now is 5.5 secs Computing kpt #: 52 total cpu time spent up to now is 5.5 secs Computing kpt #: 53 total cpu time spent up to now is 5.6 secs Computing kpt #: 54 total cpu time spent up to now is 5.7 secs Computing kpt #: 55 total cpu time spent up to now is 5.8 secs Computing kpt #: 56 total cpu time spent up to now is 5.9 secs Computing kpt #: 57 total cpu time spent up to now is 6.0 secs Computing kpt #: 58 total cpu time spent up to now is 6.1 secs Computing kpt #: 59 total cpu time spent up to now is 6.2 secs Computing kpt #: 60 total cpu time spent up to now is 6.3 secs Computing kpt #: 61 total cpu time spent up to now is 6.3 secs Computing kpt #: 62 total cpu time spent up to now is 6.4 secs Computing kpt #: 63 total cpu time spent up to now is 6.5 secs Computing kpt #: 64 total cpu time spent up to now is 6.6 secs Computing kpt #: 65 total cpu time spent up to now is 6.7 secs Computing kpt #: 66 total cpu time spent up to now is 6.7 secs Computing kpt #: 67 total cpu time spent up to now is 6.8 secs Computing kpt #: 68 total cpu time spent up to now is 6.9 secs Computing kpt #: 69 total cpu time spent up to now is 7.0 secs Computing kpt #: 70 total cpu time spent up to now is 7.1 secs Computing kpt #: 71 total cpu time spent up to now is 7.1 secs Computing kpt #: 72 total cpu time spent up to now is 7.2 secs Computing kpt #: 73 total cpu time spent up to now is 7.3 secs Computing kpt #: 74 total cpu time spent up to now is 7.4 secs Computing kpt #: 75 total cpu time spent up to now is 7.4 secs Computing kpt #: 76 total cpu time spent up to now is 7.5 secs Computing kpt #: 77 total cpu time spent up to now is 7.6 secs Computing kpt #: 78 total cpu time spent up to now is 7.7 secs Computing kpt #: 79 total cpu time spent up to now is 7.7 secs Computing kpt #: 80 total cpu time spent up to now is 7.8 secs Computing kpt #: 81 total cpu time spent up to now is 7.9 secs Computing kpt #: 82 total cpu time spent up to now is 8.0 secs Computing kpt #: 83 total cpu time spent up to now is 8.0 secs Computing kpt #: 84 total cpu time spent up to now is 8.1 secs Computing kpt #: 85 total cpu time spent up to now is 8.2 secs Computing kpt #: 86 total cpu time spent up to now is 8.2 secs Computing kpt #: 87 total cpu time spent up to now is 8.3 secs Computing kpt #: 88 total cpu time spent up to now is 8.4 secs Computing kpt #: 89 total cpu time spent up to now is 8.5 secs Computing kpt #: 90 total cpu time spent up to now is 8.5 secs Computing kpt #: 91 total cpu time spent up to now is 8.6 secs Computing kpt #: 92 total cpu time spent up to now is 8.7 secs Computing kpt #: 93 total cpu time spent up to now is 8.7 secs Computing kpt #: 94 total cpu time spent up to now is 8.8 secs Computing kpt #: 95 total cpu time spent up to now is 8.9 secs Computing kpt #: 96 total cpu time spent up to now is 9.0 secs Computing kpt #: 97 total cpu time spent up to now is 9.0 secs Computing kpt #: 98 total cpu time spent up to now is 9.1 secs Computing kpt #: 99 total cpu time spent up to now is 9.2 secs Computing kpt #: 100 total cpu time spent up to now is 9.2 secs Computing kpt #: 101 total cpu time spent up to now is 9.3 secs Computing kpt #: 102 total cpu time spent up to now is 9.4 secs Computing kpt #: 103 total cpu time spent up to now is 9.5 secs Computing kpt #: 104 total cpu time spent up to now is 9.5 secs Computing kpt #: 105 total cpu time spent up to now is 9.6 secs Computing kpt #: 106 total cpu time spent up to now is 9.7 secs Computing kpt #: 107 total cpu time spent up to now is 9.7 secs Computing kpt #: 108 total cpu time spent up to now is 9.8 secs Computing kpt #: 109 total cpu time spent up to now is 9.9 secs Computing kpt #: 110 total cpu time spent up to now is 9.9 secs Computing kpt #: 111 total cpu time spent up to now is 10.0 secs Computing kpt #: 112 total cpu time spent up to now is 10.1 secs Computing kpt #: 113 total cpu time spent up to now is 10.1 secs Computing kpt #: 114 total cpu time spent up to now is 10.2 secs Computing kpt #: 115 total cpu time spent up to now is 10.3 secs Computing kpt #: 116 total cpu time spent up to now is 10.4 secs Computing kpt #: 117 total cpu time spent up to now is 10.4 secs Computing kpt #: 118 total cpu time spent up to now is 10.5 secs Computing kpt #: 119 total cpu time spent up to now is 10.6 secs Computing kpt #: 120 total cpu time spent up to now is 10.6 secs Computing kpt #: 121 total cpu time spent up to now is 10.7 secs Computing kpt #: 122 total cpu time spent up to now is 10.8 secs Computing kpt #: 123 total cpu time spent up to now is 10.8 secs Computing kpt #: 124 total cpu time spent up to now is 10.9 secs Computing kpt #: 125 total cpu time spent up to now is 11.0 secs Computing kpt #: 126 total cpu time spent up to now is 11.0 secs Computing kpt #: 127 total cpu time spent up to now is 11.1 secs Computing kpt #: 128 total cpu time spent up to now is 11.2 secs Computing kpt #: 129 total cpu time spent up to now is 11.2 secs Computing kpt #: 130 total cpu time spent up to now is 11.3 secs Computing kpt #: 131 total cpu time spent up to now is 11.4 secs Computing kpt #: 132 total cpu time spent up to now is 11.4 secs Computing kpt #: 133 total cpu time spent up to now is 11.5 secs Computing kpt #: 134 total cpu time spent up to now is 11.5 secs Computing kpt #: 135 total cpu time spent up to now is 11.6 secs Computing kpt #: 136 total cpu time spent up to now is 11.7 secs Computing kpt #: 137 total cpu time spent up to now is 11.7 secs Computing kpt #: 138 total cpu time spent up to now is 11.8 secs Computing kpt #: 139 total cpu time spent up to now is 11.8 secs Computing kpt #: 140 total cpu time spent up to now is 11.9 secs Computing kpt #: 141 total cpu time spent up to now is 12.0 secs Computing kpt #: 142 total cpu time spent up to now is 12.0 secs Computing kpt #: 143 total cpu time spent up to now is 12.1 secs Computing kpt #: 144 total cpu time spent up to now is 12.1 secs Computing kpt #: 145 total cpu time spent up to now is 12.2 secs Computing kpt #: 146 total cpu time spent up to now is 12.2 secs Computing kpt #: 147 total cpu time spent up to now is 12.3 secs Computing kpt #: 148 total cpu time spent up to now is 12.3 secs Computing kpt #: 149 total cpu time spent up to now is 12.4 secs Computing kpt #: 150 total cpu time spent up to now is 12.4 secs Computing kpt #: 151 total cpu time spent up to now is 12.5 secs Computing kpt #: 152 total cpu time spent up to now is 12.5 secs Computing kpt #: 153 total cpu time spent up to now is 12.6 secs Computing kpt #: 154 total cpu time spent up to now is 12.6 secs Computing kpt #: 155 total cpu time spent up to now is 12.7 secs Computing kpt #: 156 total cpu time spent up to now is 12.7 secs Computing kpt #: 157 total cpu time spent up to now is 12.8 secs Computing kpt #: 158 total cpu time spent up to now is 12.8 secs Computing kpt #: 159 total cpu time spent up to now is 12.9 secs Computing kpt #: 160 total cpu time spent up to now is 12.9 secs Computing kpt #: 161 total cpu time spent up to now is 13.0 secs Computing kpt #: 162 total cpu time spent up to now is 13.0 secs Computing kpt #: 163 total cpu time spent up to now is 13.1 secs Computing kpt #: 164 total cpu time spent up to now is 13.1 secs Computing kpt #: 165 total cpu time spent up to now is 13.2 secs Computing kpt #: 166 total cpu time spent up to now is 13.2 secs Computing kpt #: 167 total cpu time spent up to now is 13.3 secs Computing kpt #: 168 total cpu time spent up to now is 13.3 secs Computing kpt #: 169 total cpu time spent up to now is 13.4 secs Computing kpt #: 170 total cpu time spent up to now is 13.4 secs Computing kpt #: 171 total cpu time spent up to now is 13.4 secs Computing kpt #: 172 total cpu time spent up to now is 13.5 secs Computing kpt #: 173 total cpu time spent up to now is 13.5 secs Computing kpt #: 174 total cpu time spent up to now is 13.6 secs Computing kpt #: 175 total cpu time spent up to now is 13.6 secs Computing kpt #: 176 total cpu time spent up to now is 13.7 secs Computing kpt #: 177 total cpu time spent up to now is 13.7 secs Computing kpt #: 178 total cpu time spent up to now is 13.8 secs Computing kpt #: 179 total cpu time spent up to now is 13.8 secs Computing kpt #: 180 total cpu time spent up to now is 13.9 secs Computing kpt #: 181 total cpu time spent up to now is 13.9 secs Computing kpt #: 182 total cpu time spent up to now is 14.0 secs Computing kpt #: 183 total cpu time spent up to now is 14.0 secs Computing kpt #: 184 total cpu time spent up to now is 14.1 secs Computing kpt #: 185 total cpu time spent up to now is 14.1 secs Computing kpt #: 186 total cpu time spent up to now is 14.2 secs Computing kpt #: 187 total cpu time spent up to now is 14.2 secs Computing kpt #: 188 total cpu time spent up to now is 14.3 secs Computing kpt #: 189 total cpu time spent up to now is 14.3 secs Computing kpt #: 190 total cpu time spent up to now is 14.4 secs Computing kpt #: 191 total cpu time spent up to now is 14.4 secs Computing kpt #: 192 total cpu time spent up to now is 14.5 secs Computing kpt #: 193 total cpu time spent up to now is 14.5 secs Computing kpt #: 194 total cpu time spent up to now is 14.6 secs Computing kpt #: 195 total cpu time spent up to now is 14.6 secs Computing kpt #: 196 total cpu time spent up to now is 14.7 secs Computing kpt #: 197 total cpu time spent up to now is 14.7 secs Computing kpt #: 198 total cpu time spent up to now is 14.8 secs Computing kpt #: 199 total cpu time spent up to now is 14.8 secs Computing kpt #: 200 total cpu time spent up to now is 14.9 secs Computing kpt #: 201 total cpu time spent up to now is 14.9 secs Computing kpt #: 202 total cpu time spent up to now is 15.0 secs Computing kpt #: 203 total cpu time spent up to now is 15.0 secs Computing kpt #: 204 total cpu time spent up to now is 15.1 secs Computing kpt #: 205 total cpu time spent up to now is 15.1 secs Computing kpt #: 206 total cpu time spent up to now is 15.2 secs Computing kpt #: 207 total cpu time spent up to now is 15.2 secs Computing kpt #: 208 total cpu time spent up to now is 15.3 secs Computing kpt #: 209 total cpu time spent up to now is 15.3 secs Computing kpt #: 210 total cpu time spent up to now is 15.4 secs Computing kpt #: 211 total cpu time spent up to now is 15.4 secs Computing kpt #: 212 total cpu time spent up to now is 15.5 secs Computing kpt #: 213 total cpu time spent up to now is 15.5 secs Computing kpt #: 214 total cpu time spent up to now is 15.6 secs Computing kpt #: 215 total cpu time spent up to now is 15.7 secs Computing kpt #: 216 total cpu time spent up to now is 15.7 secs Computing kpt #: 217 total cpu time spent up to now is 15.8 secs Computing kpt #: 218 total cpu time spent up to now is 15.8 secs Computing kpt #: 219 total cpu time spent up to now is 15.9 secs Computing kpt #: 220 total cpu time spent up to now is 15.9 secs Computing kpt #: 221 total cpu time spent up to now is 16.0 secs Computing kpt #: 222 total cpu time spent up to now is 16.0 secs Computing kpt #: 223 total cpu time spent up to now is 16.1 secs Computing kpt #: 224 total cpu time spent up to now is 16.1 secs Computing kpt #: 225 total cpu time spent up to now is 16.2 secs Computing kpt #: 226 total cpu time spent up to now is 16.2 secs Computing kpt #: 227 total cpu time spent up to now is 16.3 secs Computing kpt #: 228 total cpu time spent up to now is 16.4 secs Computing kpt #: 229 total cpu time spent up to now is 16.4 secs Computing kpt #: 230 total cpu time spent up to now is 16.6 secs Computing kpt #: 231 total cpu time spent up to now is 16.7 secs Computing kpt #: 232 total cpu time spent up to now is 16.7 secs Computing kpt #: 233 total cpu time spent up to now is 16.8 secs Computing kpt #: 234 total cpu time spent up to now is 16.9 secs Computing kpt #: 235 total cpu time spent up to now is 16.9 secs Computing kpt #: 236 total cpu time spent up to now is 17.0 secs Computing kpt #: 237 total cpu time spent up to now is 17.1 secs Computing kpt #: 238 total cpu time spent up to now is 17.1 secs Computing kpt #: 239 total cpu time spent up to now is 17.2 secs Computing kpt #: 240 total cpu time spent up to now is 17.3 secs Computing kpt #: 241 total cpu time spent up to now is 17.3 secs Computing kpt #: 242 total cpu time spent up to now is 17.4 secs Computing kpt #: 243 total cpu time spent up to now is 17.5 secs Computing kpt #: 244 total cpu time spent up to now is 17.5 secs Computing kpt #: 245 total cpu time spent up to now is 17.6 secs Computing kpt #: 246 total cpu time spent up to now is 17.7 secs Computing kpt #: 247 total cpu time spent up to now is 17.8 secs Computing kpt #: 248 total cpu time spent up to now is 17.8 secs Computing kpt #: 249 total cpu time spent up to now is 17.9 secs Computing kpt #: 250 total cpu time spent up to now is 18.0 secs Computing kpt #: 251 total cpu time spent up to now is 18.0 secs Computing kpt #: 252 total cpu time spent up to now is 18.1 secs Computing kpt #: 253 total cpu time spent up to now is 18.2 secs Computing kpt #: 254 total cpu time spent up to now is 18.3 secs Computing kpt #: 255 total cpu time spent up to now is 18.4 secs Computing kpt #: 256 total cpu time spent up to now is 18.4 secs Computing kpt #: 257 total cpu time spent up to now is 18.5 secs Computing kpt #: 258 total cpu time spent up to now is 18.6 secs Computing kpt #: 259 total cpu time spent up to now is 18.7 secs Computing kpt #: 260 total cpu time spent up to now is 18.8 secs Computing kpt #: 261 total cpu time spent up to now is 18.8 secs Computing kpt #: 262 total cpu time spent up to now is 18.9 secs Computing kpt #: 263 total cpu time spent up to now is 19.0 secs Computing kpt #: 264 total cpu time spent up to now is 19.1 secs Computing kpt #: 265 total cpu time spent up to now is 19.3 secs Computing kpt #: 266 total cpu time spent up to now is 19.4 secs Computing kpt #: 267 total cpu time spent up to now is 19.5 secs Computing kpt #: 268 total cpu time spent up to now is 19.6 secs Computing kpt #: 269 total cpu time spent up to now is 19.6 secs Computing kpt #: 270 total cpu time spent up to now is 19.7 secs Computing kpt #: 271 total cpu time spent up to now is 19.8 secs Computing kpt #: 272 total cpu time spent up to now is 19.9 secs Computing kpt #: 273 total cpu time spent up to now is 19.9 secs Computing kpt #: 274 total cpu time spent up to now is 20.0 secs Computing kpt #: 275 total cpu time spent up to now is 20.1 secs Computing kpt #: 276 total cpu time spent up to now is 20.2 secs Computing kpt #: 277 total cpu time spent up to now is 20.2 secs Computing kpt #: 278 total cpu time spent up to now is 20.3 secs Computing kpt #: 279 total cpu time spent up to now is 20.4 secs Computing kpt #: 280 total cpu time spent up to now is 20.5 secs Computing kpt #: 281 total cpu time spent up to now is 20.6 secs Computing kpt #: 282 total cpu time spent up to now is 20.7 secs Computing kpt #: 283 total cpu time spent up to now is 20.8 secs Computing kpt #: 284 total cpu time spent up to now is 20.9 secs Computing kpt #: 285 total cpu time spent up to now is 21.0 secs Computing kpt #: 286 total cpu time spent up to now is 21.1 secs Computing kpt #: 287 total cpu time spent up to now is 21.2 secs Computing kpt #: 288 total cpu time spent up to now is 21.3 secs Computing kpt #: 289 total cpu time spent up to now is 21.4 secs Computing kpt #: 290 total cpu time spent up to now is 21.5 secs Computing kpt #: 291 total cpu time spent up to now is 21.6 secs Computing kpt #: 292 total cpu time spent up to now is 21.7 secs Computing kpt #: 293 total cpu time spent up to now is 21.7 secs Computing kpt #: 294 total cpu time spent up to now is 21.8 secs Computing kpt #: 295 total cpu time spent up to now is 21.9 secs Computing kpt #: 296 total cpu time spent up to now is 22.0 secs Computing kpt #: 297 total cpu time spent up to now is 22.1 secs Computing kpt #: 298 total cpu time spent up to now is 22.2 secs Computing kpt #: 299 total cpu time spent up to now is 22.3 secs Computing kpt #: 300 total cpu time spent up to now is 22.3 secs Computing kpt #: 301 total cpu time spent up to now is 22.4 secs Computing kpt #: 302 total cpu time spent up to now is 22.5 secs Computing kpt #: 303 total cpu time spent up to now is 22.6 secs Computing kpt #: 304 total cpu time spent up to now is 22.7 secs Computing kpt #: 305 total cpu time spent up to now is 22.8 secs Computing kpt #: 306 total cpu time spent up to now is 22.8 secs Computing kpt #: 307 total cpu time spent up to now is 22.9 secs Computing kpt #: 308 total cpu time spent up to now is 23.0 secs Computing kpt #: 309 total cpu time spent up to now is 23.1 secs Computing kpt #: 310 total cpu time spent up to now is 23.2 secs Computing kpt #: 311 total cpu time spent up to now is 23.3 secs Computing kpt #: 312 total cpu time spent up to now is 23.3 secs Computing kpt #: 313 total cpu time spent up to now is 23.4 secs Computing kpt #: 314 total cpu time spent up to now is 23.5 secs Computing kpt #: 315 total cpu time spent up to now is 23.6 secs Computing kpt #: 316 total cpu time spent up to now is 23.7 secs Computing kpt #: 317 total cpu time spent up to now is 23.7 secs Computing kpt #: 318 total cpu time spent up to now is 23.8 secs Computing kpt #: 319 total cpu time spent up to now is 23.9 secs Computing kpt #: 320 total cpu time spent up to now is 24.0 secs Computing kpt #: 321 total cpu time spent up to now is 24.1 secs Computing kpt #: 322 total cpu time spent up to now is 24.1 secs Computing kpt #: 323 total cpu time spent up to now is 24.2 secs Computing kpt #: 324 total cpu time spent up to now is 24.3 secs Computing kpt #: 325 total cpu time spent up to now is 24.4 secs Computing kpt #: 326 total cpu time spent up to now is 24.5 secs Computing kpt #: 327 total cpu time spent up to now is 24.6 secs Computing kpt #: 328 total cpu time spent up to now is 24.6 secs Computing kpt #: 329 total cpu time spent up to now is 24.7 secs Computing kpt #: 330 total cpu time spent up to now is 24.8 secs Computing kpt #: 331 total cpu time spent up to now is 24.9 secs Computing kpt #: 332 total cpu time spent up to now is 25.0 secs Computing kpt #: 333 total cpu time spent up to now is 25.0 secs Computing kpt #: 334 total cpu time spent up to now is 25.1 secs Computing kpt #: 335 total cpu time spent up to now is 25.2 secs Computing kpt #: 336 total cpu time spent up to now is 25.3 secs Computing kpt #: 337 total cpu time spent up to now is 25.4 secs Computing kpt #: 338 total cpu time spent up to now is 25.4 secs Computing kpt #: 339 total cpu time spent up to now is 25.5 secs Computing kpt #: 340 total cpu time spent up to now is 25.6 secs Computing kpt #: 341 total cpu time spent up to now is 25.7 secs Computing kpt #: 342 total cpu time spent up to now is 25.8 secs Computing kpt #: 343 total cpu time spent up to now is 25.9 secs Computing kpt #: 344 total cpu time spent up to now is 25.9 secs Computing kpt #: 345 total cpu time spent up to now is 26.0 secs Computing kpt #: 346 total cpu time spent up to now is 26.1 secs Computing kpt #: 347 total cpu time spent up to now is 26.2 secs Computing kpt #: 348 total cpu time spent up to now is 26.2 secs Computing kpt #: 349 total cpu time spent up to now is 26.3 secs Computing kpt #: 350 total cpu time spent up to now is 26.4 secs Computing kpt #: 351 total cpu time spent up to now is 26.5 secs Computing kpt #: 352 total cpu time spent up to now is 26.5 secs Computing kpt #: 353 total cpu time spent up to now is 26.6 secs Computing kpt #: 354 total cpu time spent up to now is 26.7 secs Computing kpt #: 355 total cpu time spent up to now is 26.8 secs Computing kpt #: 356 total cpu time spent up to now is 26.8 secs Computing kpt #: 357 total cpu time spent up to now is 26.9 secs Computing kpt #: 358 total cpu time spent up to now is 27.0 secs Computing kpt #: 359 total cpu time spent up to now is 27.0 secs Computing kpt #: 360 total cpu time spent up to now is 27.1 secs Computing kpt #: 361 total cpu time spent up to now is 27.2 secs Computing kpt #: 362 total cpu time spent up to now is 27.3 secs Computing kpt #: 363 total cpu time spent up to now is 27.3 secs Computing kpt #: 364 total cpu time spent up to now is 27.4 secs Computing kpt #: 365 total cpu time spent up to now is 27.5 secs Computing kpt #: 366 total cpu time spent up to now is 27.5 secs Computing kpt #: 367 total cpu time spent up to now is 27.6 secs Computing kpt #: 368 total cpu time spent up to now is 27.7 secs Computing kpt #: 369 total cpu time spent up to now is 27.7 secs Computing kpt #: 370 total cpu time spent up to now is 27.8 secs Computing kpt #: 371 total cpu time spent up to now is 27.9 secs Computing kpt #: 372 total cpu time spent up to now is 27.9 secs Computing kpt #: 373 total cpu time spent up to now is 28.0 secs Computing kpt #: 374 total cpu time spent up to now is 28.1 secs Computing kpt #: 375 total cpu time spent up to now is 28.1 secs Computing kpt #: 376 total cpu time spent up to now is 28.2 secs Computing kpt #: 377 total cpu time spent up to now is 28.2 secs Computing kpt #: 378 total cpu time spent up to now is 28.3 secs Computing kpt #: 379 total cpu time spent up to now is 28.4 secs Computing kpt #: 380 total cpu time spent up to now is 28.4 secs Computing kpt #: 381 total cpu time spent up to now is 28.5 secs Computing kpt #: 382 total cpu time spent up to now is 28.5 secs Computing kpt #: 383 total cpu time spent up to now is 28.6 secs Computing kpt #: 384 total cpu time spent up to now is 28.6 secs Computing kpt #: 385 total cpu time spent up to now is 28.7 secs Computing kpt #: 386 total cpu time spent up to now is 28.8 secs Computing kpt #: 387 total cpu time spent up to now is 28.8 secs Computing kpt #: 388 total cpu time spent up to now is 28.9 secs Computing kpt #: 389 total cpu time spent up to now is 28.9 secs Computing kpt #: 390 total cpu time spent up to now is 29.0 secs Computing kpt #: 391 total cpu time spent up to now is 29.0 secs Computing kpt #: 392 total cpu time spent up to now is 29.1 secs Computing kpt #: 393 total cpu time spent up to now is 29.1 secs Computing kpt #: 394 total cpu time spent up to now is 29.2 secs Computing kpt #: 395 total cpu time spent up to now is 29.2 secs Computing kpt #: 396 total cpu time spent up to now is 29.3 secs Computing kpt #: 397 total cpu time spent up to now is 29.3 secs Computing kpt #: 398 total cpu time spent up to now is 29.4 secs Computing kpt #: 399 total cpu time spent up to now is 29.4 secs Computing kpt #: 400 total cpu time spent up to now is 29.5 secs Computing kpt #: 401 total cpu time spent up to now is 29.5 secs Computing kpt #: 402 total cpu time spent up to now is 29.6 secs Computing kpt #: 403 total cpu time spent up to now is 29.6 secs Computing kpt #: 404 total cpu time spent up to now is 29.7 secs Computing kpt #: 405 total cpu time spent up to now is 29.7 secs Computing kpt #: 406 total cpu time spent up to now is 29.8 secs Computing kpt #: 407 total cpu time spent up to now is 29.8 secs Computing kpt #: 408 total cpu time spent up to now is 29.9 secs Computing kpt #: 409 total cpu time spent up to now is 29.9 secs Computing kpt #: 410 total cpu time spent up to now is 30.0 secs Computing kpt #: 411 total cpu time spent up to now is 30.0 secs Computing kpt #: 412 total cpu time spent up to now is 30.1 secs Computing kpt #: 413 total cpu time spent up to now is 30.1 secs Computing kpt #: 414 total cpu time spent up to now is 30.2 secs Computing kpt #: 415 total cpu time spent up to now is 30.2 secs Computing kpt #: 416 total cpu time spent up to now is 30.3 secs Computing kpt #: 417 total cpu time spent up to now is 30.3 secs Computing kpt #: 418 total cpu time spent up to now is 30.4 secs Computing kpt #: 419 total cpu time spent up to now is 30.4 secs Computing kpt #: 420 total cpu time spent up to now is 30.5 secs Computing kpt #: 421 total cpu time spent up to now is 30.6 secs Computing kpt #: 422 total cpu time spent up to now is 30.6 secs Computing kpt #: 423 total cpu time spent up to now is 30.7 secs Computing kpt #: 424 total cpu time spent up to now is 30.7 secs Computing kpt #: 425 total cpu time spent up to now is 30.8 secs Computing kpt #: 426 total cpu time spent up to now is 30.8 secs Computing kpt #: 427 total cpu time spent up to now is 30.9 secs Computing kpt #: 428 total cpu time spent up to now is 31.0 secs Computing kpt #: 429 total cpu time spent up to now is 31.0 secs Computing kpt #: 430 total cpu time spent up to now is 31.1 secs Computing kpt #: 431 total cpu time spent up to now is 31.1 secs Computing kpt #: 432 total cpu time spent up to now is 31.2 secs Computing kpt #: 433 total cpu time spent up to now is 31.3 secs Computing kpt #: 434 total cpu time spent up to now is 31.3 secs Computing kpt #: 435 total cpu time spent up to now is 31.4 secs Computing kpt #: 436 total cpu time spent up to now is 31.5 secs Computing kpt #: 437 total cpu time spent up to now is 31.6 secs Computing kpt #: 438 total cpu time spent up to now is 31.6 secs Computing kpt #: 439 total cpu time spent up to now is 31.7 secs Computing kpt #: 440 total cpu time spent up to now is 31.8 secs Computing kpt #: 441 total cpu time spent up to now is 31.8 secs Computing kpt #: 442 total cpu time spent up to now is 31.9 secs Computing kpt #: 443 total cpu time spent up to now is 32.0 secs Computing kpt #: 444 total cpu time spent up to now is 32.0 secs Computing kpt #: 445 total cpu time spent up to now is 32.1 secs Computing kpt #: 446 total cpu time spent up to now is 32.2 secs Computing kpt #: 447 total cpu time spent up to now is 32.2 secs Computing kpt #: 448 total cpu time spent up to now is 32.3 secs Computing kpt #: 449 total cpu time spent up to now is 32.4 secs Computing kpt #: 450 total cpu time spent up to now is 32.4 secs Computing kpt #: 451 total cpu time spent up to now is 32.5 secs Computing kpt #: 452 total cpu time spent up to now is 32.6 secs Computing kpt #: 453 total cpu time spent up to now is 32.6 secs Computing kpt #: 454 total cpu time spent up to now is 32.7 secs Computing kpt #: 455 total cpu time spent up to now is 32.8 secs Computing kpt #: 456 total cpu time spent up to now is 32.8 secs Computing kpt #: 457 total cpu time spent up to now is 32.9 secs Computing kpt #: 458 total cpu time spent up to now is 33.0 secs Computing kpt #: 459 total cpu time spent up to now is 33.1 secs Computing kpt #: 460 total cpu time spent up to now is 33.1 secs Computing kpt #: 461 total cpu time spent up to now is 33.2 secs Computing kpt #: 462 total cpu time spent up to now is 33.3 secs Computing kpt #: 463 total cpu time spent up to now is 33.3 secs Computing kpt #: 464 total cpu time spent up to now is 33.4 secs Computing kpt #: 465 total cpu time spent up to now is 33.4 secs Computing kpt #: 466 total cpu time spent up to now is 33.5 secs Computing kpt #: 467 total cpu time spent up to now is 33.6 secs Computing kpt #: 468 total cpu time spent up to now is 33.6 secs Computing kpt #: 469 total cpu time spent up to now is 33.7 secs Computing kpt #: 470 total cpu time spent up to now is 33.7 secs Computing kpt #: 471 total cpu time spent up to now is 33.8 secs Computing kpt #: 472 total cpu time spent up to now is 33.8 secs Computing kpt #: 473 total cpu time spent up to now is 33.9 secs Computing kpt #: 474 total cpu time spent up to now is 33.9 secs Computing kpt #: 475 total cpu time spent up to now is 34.0 secs Computing kpt #: 476 total cpu time spent up to now is 34.0 secs Computing kpt #: 477 total cpu time spent up to now is 34.1 secs Computing kpt #: 478 total cpu time spent up to now is 34.1 secs Computing kpt #: 479 total cpu time spent up to now is 34.2 secs Computing kpt #: 480 total cpu time spent up to now is 34.2 secs Computing kpt #: 481 total cpu time spent up to now is 34.3 secs Computing kpt #: 482 total cpu time spent up to now is 34.3 secs Computing kpt #: 483 total cpu time spent up to now is 34.4 secs Computing kpt #: 484 total cpu time spent up to now is 34.4 secs Computing kpt #: 485 total cpu time spent up to now is 34.5 secs Computing kpt #: 486 total cpu time spent up to now is 34.6 secs Computing kpt #: 487 total cpu time spent up to now is 34.6 secs Computing kpt #: 488 total cpu time spent up to now is 34.7 secs Computing kpt #: 489 total cpu time spent up to now is 34.7 secs Computing kpt #: 490 total cpu time spent up to now is 34.8 secs Computing kpt #: 491 total cpu time spent up to now is 34.8 secs Computing kpt #: 492 total cpu time spent up to now is 34.9 secs Computing kpt #: 493 total cpu time spent up to now is 34.9 secs Computing kpt #: 494 total cpu time spent up to now is 34.9 secs Computing kpt #: 495 total cpu time spent up to now is 35.0 secs Computing kpt #: 496 total cpu time spent up to now is 35.0 secs Computing kpt #: 497 total cpu time spent up to now is 35.1 secs Computing kpt #: 498 total cpu time spent up to now is 35.1 secs Computing kpt #: 499 total cpu time spent up to now is 35.2 secs Computing kpt #: 500 total cpu time spent up to now is 35.2 secs Computing kpt #: 501 total cpu time spent up to now is 35.3 secs Computing kpt #: 502 total cpu time spent up to now is 35.3 secs Computing kpt #: 503 total cpu time spent up to now is 35.4 secs Computing kpt #: 504 total cpu time spent up to now is 35.4 secs Computing kpt #: 505 total cpu time spent up to now is 35.5 secs Computing kpt #: 506 total cpu time spent up to now is 35.5 secs Computing kpt #: 507 total cpu time spent up to now is 35.5 secs Computing kpt #: 508 total cpu time spent up to now is 35.6 secs Computing kpt #: 509 total cpu time spent up to now is 35.6 secs Computing kpt #: 510 total cpu time spent up to now is 35.7 secs Computing kpt #: 511 total cpu time spent up to now is 35.7 secs Computing kpt #: 512 total cpu time spent up to now is 35.8 secs Computing kpt #: 513 total cpu time spent up to now is 35.8 secs Computing kpt #: 514 total cpu time spent up to now is 35.9 secs Computing kpt #: 515 total cpu time spent up to now is 35.9 secs Computing kpt #: 516 total cpu time spent up to now is 36.0 secs ethr = 7.14E-08, avg # of iterations = 12.4 total cpu time spent up to now is 36.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 959 PWs) bands (ev): -52.4435 -52.4435 -23.9803 -23.9803 -22.9784 -22.9784 -22.9784 -22.9784 11.2976 11.2976 18.1377 18.1377 18.1377 18.1377 18.1876 18.1876 20.1900 20.1900 20.1900 20.1900 40.8852 40.8852 k = 0.0046-0.0032 0.0056 ( 959 PWs) bands (ev): -52.4434 -52.4434 -23.9805 -23.9805 -22.9786 -22.9786 -22.9785 -22.9785 11.2994 11.2994 18.1377 18.1377 18.1381 18.1381 18.1878 18.1878 20.1887 20.1887 20.1905 20.1905 40.8791 40.8792 k = 0.0092-0.0065 0.0112 ( 959 PWs) bands (ev): -52.4432 -52.4432 -23.9809 -23.9809 -22.9792 -22.9792 -22.9788 -22.9788 11.3049 11.3049 18.1374 18.1374 18.1393 18.1393 18.1883 18.1883 20.1848 20.1848 20.1921 20.1921 40.8610 40.8611 k = 0.0138-0.0097 0.0169 ( 959 PWs) bands (ev): -52.4428 -52.4428 -23.9817 -23.9817 -22.9803 -22.9803 -22.9794 -22.9794 11.3140 11.3140 18.1370 18.1370 18.1411 18.1411 18.1892 18.1892 20.1783 20.1783 20.1947 20.1947 40.8312 40.8312 k = 0.0183-0.0130 0.0225 ( 959 PWs) bands (ev): -52.4422 -52.4422 -23.9828 -23.9828 -22.9818 -22.9818 -22.9803 -22.9803 11.3267 11.3267 18.1365 18.1365 18.1434 18.1434 18.1908 18.1908 20.1692 20.1692 20.1984 20.1984 40.7903 40.7903 k = 0.0229-0.0162 0.0281 ( 959 PWs) bands (ev): -52.4414 -52.4414 -23.9842 -23.9842 -22.9838 -22.9838 -22.9813 -22.9813 11.3430 11.3430 18.1359 18.1359 18.1461 18.1461 18.1931 18.1931 20.1576 20.1576 20.2030 20.2030 40.7389 40.7389 k = 0.0275-0.0195 0.0337 ( 959 PWs) bands (ev): -52.4405 -52.4405 -23.9859 -23.9859 -22.9861 -22.9861 -22.9826 -22.9826 11.3629 11.3629 18.1351 18.1351 18.1488 18.1488 18.1966 18.1966 20.1433 20.1433 20.2087 20.2087 40.6779 40.6779 k = 0.0321-0.0227 0.0393 ( 959 PWs) bands (ev): -52.4395 -52.4395 -23.9880 -23.9880 -22.9889 -22.9889 -22.9842 -22.9842 11.3864 11.3864 18.1342 18.1342 18.1512 18.1512 18.2014 18.2014 20.1266 20.1266 20.2154 20.2154 40.6082 40.6082 k = 0.0367-0.0259 0.0449 ( 959 PWs) bands (ev): -52.4382 -52.4382 -23.9903 -23.9903 -22.9921 -22.9921 -22.9859 -22.9859 11.4135 11.4135 18.1333 18.1333 18.1532 18.1532 18.2079 18.2079 20.1072 20.1072 20.2231 20.2231 40.5307 40.5307 k = 0.0413-0.0292 0.0506 ( 959 PWs) bands (ev): -52.4368 -52.4368 -23.9929 -23.9929 -22.9957 -22.9957 -22.9879 -22.9879 11.4440 11.4440 18.1323 18.1323 18.1547 18.1547 18.2161 18.2161 20.0854 20.0854 20.2318 20.2318 40.4466 40.4466 k = 0.0459-0.0324 0.0562 ( 959 PWs) bands (ev): -52.4353 -52.4353 -23.9958 -23.9958 -22.9997 -22.9997 -22.9902 -22.9902 11.4781 11.4781 18.1313 18.1313 18.1556 18.1556 18.2259 18.2259 20.0611 20.0611 20.2414 20.2414 40.3566 40.3566 k = 0.0505-0.0357 0.0618 ( 959 PWs) bands (ev): -52.4335 -52.4335 -23.9991 -23.9991 -23.0041 -23.0041 -22.9926 -22.9926 11.5156 11.5156 18.1302 18.1302 18.1562 18.1562 18.2375 18.2375 20.0344 20.0344 20.2520 20.2520 40.2618 40.2618 k = 0.0550-0.0389 0.0674 ( 959 PWs) bands (ev): -52.4317 -52.4317 -24.0026 -24.0026 -23.0088 -23.0088 -22.9953 -22.9953 11.5566 11.5566 18.1292 18.1292 18.1564 18.1564 18.2505 18.2505 20.0052 20.0052 20.2635 20.2635 40.1629 40.1629 k = 0.0596-0.0422 0.0730 ( 959 PWs) bands (ev): -52.4296 -52.4296 -24.0064 -24.0064 -23.0140 -23.0140 -22.9982 -22.9982 11.6009 11.6009 18.1283 18.1283 18.1564 18.1564 18.2650 18.2650 19.9737 19.9737 20.2760 20.2760 40.0607 40.0607 k = 0.0642-0.0454 0.0787 ( 959 PWs) bands (ev): -52.4275 -52.4275 -24.0104 -24.0104 -23.0195 -23.0195 -23.0014 -23.0014 11.6486 11.6486 18.1274 18.1274 18.1564 18.1564 18.2810 18.2810 19.9398 19.9398 20.2893 20.2893 39.9561 39.9561 k = 0.0688-0.0487 0.0843 ( 967 PWs) bands (ev): -52.4283 -52.4283 -24.0153 -24.0153 -23.0262 -23.0262 -23.0049 -23.0049 11.6988 11.6988 18.1185 18.1185 18.1483 18.1483 18.2971 18.2971 19.9033 19.9033 20.2854 20.2854 39.8495 39.8495 k = 0.0734-0.0519 0.0899 ( 967 PWs) bands (ev): -52.4259 -52.4259 -24.0199 -24.0199 -23.0324 -23.0324 -23.0085 -23.0085 11.7529 11.7529 18.1177 18.1177 18.1481 18.1481 18.3156 18.3156 19.8649 19.8649 20.3001 20.3001 39.7417 39.7417 k = 0.0780-0.0551 0.0955 ( 971 PWs) bands (ev): -52.4249 -52.4249 -24.0251 -24.0251 -23.0392 -23.0392 -23.0126 -23.0126 11.8102 11.8102 18.1084 18.1084 18.1394 18.1394 18.3346 18.3346 19.8201 19.8201 20.3226 20.3226 39.6322 39.6322 k = 0.0826-0.0584 0.1011 ( 971 PWs) bands (ev): -52.4223 -52.4223 -24.0303 -24.0303 -23.0460 -23.0460 -23.0166 -23.0166 11.8707 11.8707 18.1078 18.1078 18.1391 18.1391 18.3556 18.3556 19.7771 19.7771 20.3386 20.3386 39.5232 39.5232 k = 0.0872-0.0616 0.1067 ( 971 PWs) bands (ev): -52.4195 -52.4195 -24.0357 -24.0357 -23.0532 -23.0532 -23.0208 -23.0208 11.9342 11.9342 18.1075 18.1075 18.1392 18.1392 18.3778 18.3778 19.7321 19.7321 20.3554 20.3554 39.4144 39.4144 k = 0.0917-0.0649 0.1124 ( 971 PWs) bands (ev): -52.4166 -52.4166 -24.0414 -24.0414 -23.0606 -23.0606 -23.0252 -23.0252 12.0007 12.0007 18.1075 18.1075 18.1395 18.1395 18.4011 18.4011 19.6849 19.6849 20.3730 20.3730 39.3060 39.3060 k = 0.0963-0.0681 0.1180 ( 979 PWs) bands (ev): -52.4168 -52.4168 -24.0478 -24.0478 -23.0689 -23.0689 -23.0304 -23.0304 12.0694 12.0694 18.0962 18.0962 18.1285 18.1285 18.4245 18.4245 19.6264 19.6264 20.3910 20.3910 39.1949 39.1949 k = 0.1009-0.0714 0.1236 ( 979 PWs) bands (ev): -52.4137 -52.4137 -24.0539 -24.0539 -23.0768 -23.0768 -23.0353 -23.0353 12.1416 12.1416 18.0968 18.0968 18.1294 18.1294 18.4501 18.4501 19.5752 19.5752 20.4100 20.4100 39.0881 39.0881 k = 0.1055-0.0746 0.1292 ( 979 PWs) bands (ev): -52.4105 -52.4105 -24.0603 -24.0603 -23.0849 -23.0849 -23.0403 -23.0403 12.2165 12.2165 18.0980 18.0980 18.1308 18.1308 18.4767 18.4767 19.5221 19.5221 20.4297 20.4297 38.9827 38.9827 k = 0.1101-0.0778 0.1348 ( 979 PWs) bands (ev): -52.4072 -52.4072 -24.0669 -24.0669 -23.0933 -23.0933 -23.0455 -23.0455 12.2940 12.2940 18.0996 18.0996 18.1326 18.1326 18.5044 18.5044 19.4672 19.4672 20.4501 20.4501 38.8787 38.8787 k = 0.1147-0.0811 0.1405 ( 979 PWs) bands (ev): -52.4037 -52.4037 -24.0737 -24.0737 -23.1019 -23.1019 -23.0510 -23.0510 12.3741 12.3741 18.1018 18.1018 18.1350 18.1350 18.5332 18.5332 19.4105 19.4105 20.4712 20.4712 38.7764 38.7764 k = 0.1193-0.0843 0.1461 ( 979 PWs) bands (ev): -52.4002 -52.4002 -24.0807 -24.0807 -23.1107 -23.1107 -23.0566 -23.0566 12.4567 12.4567 18.1047 18.1047 18.1381 18.1381 18.5630 18.5630 19.3521 19.3521 20.4929 20.4929 38.6759 38.6759 k = 0.1239-0.0876 0.1517 ( 980 PWs) bands (ev): -52.3969 -52.3969 -24.0879 -24.0879 -23.1198 -23.1198 -23.0624 -23.0624 12.5414 12.5414 18.1082 18.1082 18.1418 18.1418 18.5937 18.5937 19.2921 19.2921 20.5103 20.5103 38.5774 38.5774 k = 0.1284-0.0908 0.1573 ( 980 PWs) bands (ev): -52.3931 -52.3931 -24.0953 -24.0953 -23.1290 -23.1290 -23.0684 -23.0684 12.6284 12.6284 18.1124 18.1124 18.1461 18.1461 18.6254 18.6254 19.2306 19.2306 20.5332 20.5332 38.4810 38.4810 k = 0.1330-0.0941 0.1629 ( 980 PWs) bands (ev): -52.3892 -52.3892 -24.1028 -24.1028 -23.1383 -23.1383 -23.0746 -23.0746 12.7176 12.7176 18.1173 18.1173 18.1513 18.1513 18.6580 18.6580 19.1677 19.1677 20.5566 20.5566 38.3867 38.3867 k = 0.1376-0.0973 0.1685 ( 980 PWs) bands (ev): -52.3853 -52.3853 -24.1105 -24.1105 -23.1477 -23.1477 -23.0809 -23.0809 12.8087 12.8087 18.1231 18.1231 18.1572 18.1572 18.6914 18.6914 19.1036 19.1036 20.5807 20.5807 38.2947 38.2947 k = 0.1422-0.1006 0.1742 ( 980 PWs) bands (ev): -52.3812 -52.3812 -24.1183 -24.1183 -23.1572 -23.1572 -23.0874 -23.0874 12.9017 12.9017 18.1297 18.1297 18.1640 18.1640 18.7253 18.7253 19.0384 19.0384 20.6055 20.6055 38.2050 38.2050 k = 0.1468-0.1038 0.1798 ( 980 PWs) bands (ev): -52.3770 -52.3770 -24.1263 -24.1263 -23.1669 -23.1669 -23.0941 -23.0941 12.9963 12.9963 18.1372 18.1372 18.1717 18.1717 18.7594 18.7594 18.9727 18.9727 20.6309 20.6309 38.1176 38.1176 k = 0.1514-0.1070 0.1854 ( 980 PWs) bands (ev): -52.3728 -52.3728 -24.1344 -24.1344 -23.1766 -23.1766 -23.1009 -23.1009 13.0924 13.0924 18.1456 18.1456 18.1803 18.1803 18.7913 18.7913 18.9088 18.9088 20.6570 20.6570 38.0325 38.0325 k = 0.1560-0.1103 0.1910 ( 980 PWs) bands (ev): -52.3685 -52.3685 -24.1426 -24.1426 -23.1865 -23.1865 -23.1079 -23.1079 13.1900 13.1900 18.1551 18.1551 18.1899 18.1899 18.8013 18.8013 18.8667 18.8667 20.6838 20.6838 37.9499 37.9499 k = 0.1606-0.1135 0.1966 ( 988 PWs) bands (ev): -52.3672 -52.3672 -24.1514 -24.1514 -23.1968 -23.1968 -23.1158 -23.1158 13.2884 13.2884 18.1602 18.1602 18.1951 18.1951 18.7376 18.7376 18.8791 18.8791 20.7066 20.7066 37.8589 37.8589 k = 0.1651-0.1168 0.2023 ( 988 PWs) bands (ev): -52.3628 -52.3628 -24.1598 -24.1598 -23.2067 -23.2067 -23.1230 -23.1230 13.3882 13.3882 18.1717 18.1717 18.2067 18.2067 18.6695 18.6695 18.9147 18.9147 20.7349 20.7349 37.7807 37.7807 k = 0.1697-0.1200 0.2079 ( 980 PWs) bands (ev): -52.3551 -52.3551 -24.1679 -24.1679 -23.2160 -23.2160 -23.1301 -23.1301 13.4910 13.4910 18.1946 18.1946 18.2294 18.2294 18.5993 18.5993 18.9550 18.9550 20.7728 20.7728 37.7057 37.7057 k = 0.1743-0.1233 0.2135 ( 976 PWs) bands (ev): -52.3490 -52.3490 -24.1762 -24.1762 -23.2258 -23.2258 -23.1373 -23.1373 13.5925 13.5925 18.2114 18.2114 18.2461 18.2461 18.5344 18.5344 18.9948 18.9948 20.8041 20.8041 37.6397 37.6397 k = 0.1789-0.1265 0.2191 ( 976 PWs) bands (ev): -52.3444 -52.3444 -24.1849 -24.1849 -23.2358 -23.2358 -23.1450 -23.1450 13.6941 13.6941 18.2261 18.2261 18.2602 18.2602 18.4611 18.4611 19.0356 19.0356 20.8350 20.8350 37.5687 37.5687 k = 0.1835-0.1297 0.2247 ( 976 PWs) bands (ev): -52.3398 -52.3398 -24.1936 -24.1936 -23.2458 -23.2458 -23.1528 -23.1528 13.7959 13.7959 18.2420 18.2420 18.2743 18.2743 18.3882 18.3882 19.0773 19.0773 20.8671 20.8671 37.5001 37.5001 k = 0.1881-0.1330 0.2303 ( 980 PWs) bands (ev): -52.3367 -52.3367 -24.2026 -24.2026 -23.2563 -23.2563 -23.1607 -23.1607 13.8965 13.8965 18.2585 18.2585 18.2784 18.2784 18.3252 18.3252 19.1197 19.1197 20.8833 20.8833 37.4338 37.4338 k = 0.1927-0.1362 0.2360 ( 980 PWs) bands (ev): -52.3320 -52.3320 -24.2114 -24.2114 -23.2663 -23.2663 -23.1687 -23.1687 13.9978 13.9978 18.2258 18.2258 18.2769 18.2769 18.3202 18.3202 19.1628 19.1628 20.9177 20.9177 37.3698 37.3698 k = 0.1972-0.1395 0.2416 ( 980 PWs) bands (ev): -52.3273 -52.3273 -24.2201 -24.2201 -23.2762 -23.2762 -23.1768 -23.1768 14.0986 14.0986 18.1520 18.1520 18.2967 18.2967 18.3373 18.3373 19.2065 19.2065 20.9538 20.9538 37.3081 37.3081 k = 0.2018-0.1427 0.2472 ( 980 PWs) bands (ev): -52.3226 -52.3226 -24.2289 -24.2289 -23.2861 -23.2861 -23.1850 -23.1850 14.1985 14.1985 18.0758 18.0758 18.3179 18.3179 18.3578 18.3578 19.2509 19.2509 20.9916 20.9916 37.2486 37.2487 k = 0.2064-0.1460 0.2528 ( 980 PWs) bands (ev): -52.3178 -52.3178 -24.2377 -24.2377 -23.2960 -23.2960 -23.1933 -23.1933 14.2973 14.2973 17.9988 17.9988 18.3405 18.3405 18.3801 18.3801 19.2958 19.2958 21.0313 21.0313 37.1914 37.1914 k = 0.2110-0.1492 0.2584 ( 980 PWs) bands (ev): -52.3130 -52.3130 -24.2465 -24.2465 -23.3057 -23.3057 -23.2017 -23.2017 14.3947 14.3947 17.9213 17.9213 18.3645 18.3645 18.4041 18.4041 19.3413 19.3413 21.0732 21.0732 37.1363 37.1363 k = 0.2156-0.1524 0.2641 ( 980 PWs) bands (ev): -52.3082 -52.3082 -24.2553 -24.2553 -23.3154 -23.3154 -23.2103 -23.2103 14.4945 14.4945 17.8422 17.8422 18.3834 18.3834 18.4232 18.4232 19.3869 19.3869 21.1309 21.1309 37.0818 37.0818 k = 0.2202-0.1557 0.2697 ( 980 PWs) bands (ev): -52.3035 -52.3035 -24.2640 -24.2640 -23.3251 -23.3251 -23.2188 -23.2188 14.5882 14.5882 17.7642 17.7642 18.4100 18.4100 18.4499 18.4499 19.4333 19.4333 21.1766 21.1766 37.0308 37.0308 k = 0.2248-0.1589 0.2753 ( 980 PWs) bands (ev): -52.2988 -52.2988 -24.2727 -24.2727 -23.3346 -23.3346 -23.2274 -23.2274 14.6796 14.6796 17.6861 17.6861 18.4380 18.4380 18.4781 18.4781 19.4801 19.4801 21.2251 21.2251 36.9819 36.9819 k = 0.2294-0.1622 0.2809 ( 980 PWs) bands (ev): -52.2940 -52.2940 -24.2813 -24.2813 -23.3440 -23.3440 -23.2361 -23.2361 14.7684 14.7684 17.6081 17.6081 18.4676 18.4676 18.5079 18.5079 19.5273 19.5273 21.2768 21.2768 36.9349 36.9349 k = 0.2339-0.1654 0.2865 ( 980 PWs) bands (ev): -52.2893 -52.2893 -24.2898 -24.2898 -23.3532 -23.3532 -23.2447 -23.2447 14.8542 14.8542 17.5301 17.5301 18.4987 18.4987 18.5393 18.5393 19.5748 19.5748 21.3318 21.3318 36.8899 36.8899 k = 0.2385-0.1687 0.2921 ( 980 PWs) bands (ev): -52.2845 -52.2845 -24.2983 -24.2983 -23.3624 -23.3624 -23.2535 -23.2535 14.9367 14.9367 17.4523 17.4523 18.5313 18.5313 18.5721 18.5721 19.6227 19.6227 21.3904 21.3904 36.8467 36.8467 k = 0.2431-0.1719 0.2978 ( 980 PWs) bands (ev): -52.2798 -52.2798 -24.3067 -24.3067 -23.3714 -23.3714 -23.2622 -23.2622 15.0157 15.0157 17.3747 17.3747 18.5655 18.5655 18.6066 18.6066 19.6708 19.6708 21.4528 21.4528 36.8053 36.8053 k = 0.2477-0.1752 0.3034 ( 968 PWs) bands (ev): -52.2703 -52.2703 -24.3144 -24.3144 -23.3794 -23.3794 -23.2703 -23.2703 15.0938 15.0938 17.3027 17.3027 18.6158 18.6158 18.6570 18.6570 19.7250 19.7250 21.5232 21.5232 36.7741 36.7741 k = 0.2523-0.1784 0.3090 ( 972 PWs) bands (ev): -52.2672 -52.2672 -24.3229 -24.3229 -23.3886 -23.3886 -23.2791 -23.2791 15.1621 15.1621 17.2255 17.2255 18.6514 18.6514 18.6929 18.6929 19.7734 19.7734 21.5810 21.5810 36.7361 36.7361 k = 0.2569-0.1816 0.3146 ( 972 PWs) bands (ev): -52.2626 -52.2626 -24.3311 -24.3311 -23.3972 -23.3972 -23.2880 -23.2880 15.2286 15.2286 17.1488 17.1488 18.6900 18.6900 18.7318 18.7318 19.8221 19.8221 21.6564 21.6564 36.6995 36.6995 k = 0.2615-0.1849 0.3202 ( 980 PWs) bands (ev): -52.2612 -52.2612 -24.3395 -24.3395 -23.4060 -23.4060 -23.2976 -23.2976 15.2901 15.2901 17.0643 17.0643 18.7282 18.7282 18.7702 18.7702 19.8570 19.8570 21.7275 21.7275 36.5788 36.5788 k = 0.2661-0.1881 0.3258 ( 980 PWs) bands (ev): -52.2566 -52.2566 -24.3474 -24.3474 -23.4142 -23.4142 -23.3064 -23.3064 15.3471 15.3471 16.9887 16.9887 18.7700 18.7700 18.8123 18.8123 19.9056 19.9056 21.8129 21.8129 36.3816 36.3816 k = 0.2706-0.1914 0.3315 ( 980 PWs) bands (ev): -52.2521 -52.2521 -24.3552 -24.3552 -23.4223 -23.4223 -23.3152 -23.3152 15.3992 15.3992 16.9137 16.9137 18.8133 18.8133 18.8559 18.8559 19.9544 19.9544 21.9034 21.9034 36.1841 36.1841 k = 0.2752-0.1946 0.3371 ( 980 PWs) bands (ev): -52.2476 -52.2476 -24.3629 -24.3629 -23.4302 -23.4302 -23.3240 -23.3240 15.4463 15.4463 16.8393 16.8393 18.8582 18.8582 18.9011 18.9011 20.0031 20.0031 21.9993 21.9993 35.9866 35.9866 k = 0.2798-0.1979 0.3427 ( 980 PWs) bands (ev): -52.2431 -52.2431 -24.3705 -24.3705 -23.4379 -23.4379 -23.3328 -23.3328 15.4883 15.4883 16.7656 16.7656 18.9046 18.9046 18.9478 18.9478 20.0517 20.0517 22.1007 22.1007 35.7892 35.7892 k = 0.2844-0.2011 0.3483 ( 980 PWs) bands (ev): -52.2387 -52.2387 -24.3779 -24.3779 -23.4454 -23.4454 -23.3415 -23.3415 15.5251 15.5251 16.6927 16.6927 18.9526 18.9526 18.9961 18.9961 20.1003 20.1003 22.2076 22.2076 35.5920 35.5920 k = 0.2890-0.2043 0.3539 ( 980 PWs) bands (ev): -52.2343 -52.2343 -24.3852 -24.3852 -23.4527 -23.4527 -23.3502 -23.3502 15.5568 15.5568 16.6206 16.6206 19.0022 19.0022 19.0459 19.0459 20.1487 20.1487 22.3201 22.3201 35.3952 35.3952 k = 0.2936-0.2076 0.3596 ( 972 PWs) bands (ev): -52.2268 -52.2268 -24.3919 -24.3919 -23.4592 -23.4592 -23.3584 -23.3584 15.5859 15.5859 16.5514 16.5514 19.0645 19.0645 19.1083 19.1083 20.2003 20.2003 22.4387 22.4387 35.2084 35.2084 k = 0.2982-0.2108 0.3652 ( 972 PWs) bands (ev): -52.2226 -52.2226 -24.3989 -24.3989 -23.4662 -23.4662 -23.3670 -23.3670 15.6075 15.6075 16.4810 16.4810 19.1169 19.1169 19.1610 19.1610 20.2483 20.2483 22.5622 22.5622 35.0125 35.0125 k = 0.3028-0.2141 0.3708 ( 972 PWs) bands (ev): -52.2184 -52.2184 -24.4058 -24.4058 -23.4729 -23.4729 -23.3755 -23.3755 15.6241 15.6241 16.4115 16.4115 19.1707 19.1707 19.2151 19.2151 20.2961 20.2961 22.6912 22.6912 34.8174 34.8174 k = 0.3073-0.2173 0.3764 ( 972 PWs) bands (ev): -52.2142 -52.2142 -24.4125 -24.4125 -23.4794 -23.4794 -23.3840 -23.3840 15.6360 15.6360 16.3431 16.3431 19.2260 19.2260 19.2706 19.2706 20.3436 20.3436 22.8256 22.8256 34.6231 34.6231 k = 0.3119-0.2206 0.3820 ( 980 PWs) bands (ev): -52.2131 -52.2131 -24.4196 -24.4196 -23.4862 -23.4862 -23.3929 -23.3929 15.6433 15.6433 16.2754 16.2754 19.2719 19.2719 19.3167 19.3167 20.3780 20.3780 22.9650 22.9650 34.4254 34.4254 k = 0.3165-0.2238 0.3876 ( 980 PWs) bands (ev): -52.2091 -52.2091 -24.4260 -24.4260 -23.4923 -23.4923 -23.4012 -23.4012 15.6463 15.6463 16.2091 16.2091 19.3297 19.3297 19.3747 19.3747 20.4244 20.4244 23.1098 23.1098 34.2333 34.2333 k = 0.3211-0.2271 0.3933 ( 980 PWs) bands (ev): -52.2052 -52.2052 -24.4323 -24.4323 -23.4982 -23.4982 -23.4094 -23.4094 15.6451 15.6451 16.1440 16.1440 19.3889 19.3889 19.4341 19.4341 20.4705 20.4705 23.2595 23.2595 34.0426 34.0426 k = 0.3257-0.2303 0.3989 ( 976 PWs) bands (ev): -52.1997 -52.1997 -24.4382 -24.4382 -23.5035 -23.5035 -23.4173 -23.4173 15.6438 15.6438 16.0806 16.0806 19.4540 19.4540 19.4994 19.4994 20.5161 20.5161 23.4158 23.4158 33.8563 33.8563 k = 0.3303-0.2335 0.4045 ( 976 PWs) bands (ev): -52.1959 -52.1959 -24.4441 -24.4441 -23.5089 -23.5089 -23.4253 -23.4253 15.6350 15.6350 16.0178 16.0178 19.5156 19.5156 19.5612 19.5612 20.5611 20.5611 23.5747 23.5747 33.6683 33.6683 k = 0.3349-0.2368 0.4101 ( 976 PWs) bands (ev): -52.1922 -52.1922 -24.4500 -24.4500 -23.5142 -23.5142 -23.4332 -23.4332 15.6228 15.6228 15.9563 15.9563 19.5784 19.5784 19.6241 19.6241 20.6056 20.6056 23.7379 23.7379 33.4819 33.4819 k = 0.3394-0.2400 0.4157 ( 976 PWs) bands (ev): -52.1886 -52.1886 -24.4556 -24.4556 -23.5192 -23.5192 -23.4409 -23.4409 15.6074 15.6074 15.8961 15.8961 19.6423 19.6423 19.6882 19.6882 20.6495 20.6495 23.9053 23.9053 33.2972 33.2972 k = 0.3440-0.2433 0.4214 ( 976 PWs) bands (ev): -52.1850 -52.1850 -24.4611 -24.4611 -23.5240 -23.5240 -23.4486 -23.4486 15.5891 15.5891 15.8372 15.8372 19.7072 19.7072 19.7532 19.7532 20.6928 20.6928 24.0765 24.0765 33.1145 33.1145 k = 0.3486-0.2465 0.4270 ( 976 PWs) bands (ev): -52.1815 -52.1815 -24.4665 -24.4665 -23.5285 -23.5285 -23.4562 -23.4562 15.5770 15.5770 15.7797 15.7797 19.7668 19.7668 19.8129 19.8129 20.7310 20.7310 24.2561 24.2561 32.9318 32.9318 k = 0.3532-0.2498 0.4326 ( 976 PWs) bands (ev): -52.1781 -52.1781 -24.4717 -24.4717 -23.5329 -23.5329 -23.4636 -23.4636 15.5537 15.5537 15.7236 15.7236 19.8334 19.8334 19.8797 19.8797 20.7728 20.7728 24.4340 24.4340 32.7532 32.7532 k = 0.3578-0.2530 0.4382 ( 976 PWs) bands (ev): -52.1748 -52.1748 -24.4768 -24.4768 -23.5371 -23.5371 -23.4708 -23.4708 15.5282 15.5282 15.6689 15.6689 19.9008 19.9008 19.9472 19.9472 20.8138 20.8138 24.6150 24.6150 32.5769 32.5769 k = 0.3624-0.2562 0.4438 ( 976 PWs) bands (ev): -52.1716 -52.1716 -24.4817 -24.4817 -23.5411 -23.5411 -23.4778 -23.4778 15.5010 15.5010 15.6157 15.6157 19.9690 19.9690 20.0154 20.0154 20.8540 20.8540 24.7990 24.7990 32.4030 32.4030 k = 0.3670-0.2595 0.4494 ( 976 PWs) bands (ev): -52.1684 -52.1684 -24.4864 -24.4864 -23.5449 -23.5449 -23.4847 -23.4847 15.4723 15.4723 15.5640 15.5640 20.0377 20.0377 20.0841 20.0841 20.8933 20.8933 24.9855 24.9855 32.2316 32.2316 k = 0.3716-0.2627 0.4551 ( 976 PWs) bands (ev): -52.1654 -52.1654 -24.4910 -24.4910 -23.5484 -23.5484 -23.4914 -23.4914 15.4422 15.4422 15.5137 15.5137 20.1070 20.1070 20.1534 20.1534 20.9318 20.9318 25.1743 25.1743 32.0630 32.0630 k = 0.3761-0.2660 0.4607 ( 976 PWs) bands (ev): -52.1624 -52.1624 -24.4954 -24.4954 -23.5518 -23.5518 -23.4979 -23.4979 15.4112 15.4112 15.4650 15.4650 20.1766 20.1766 20.2230 20.2230 20.9693 20.9693 25.3651 25.3651 31.8972 31.8972 k = 0.3807-0.2692 0.4663 ( 976 PWs) bands (ev): -52.1595 -52.1595 -24.4997 -24.4997 -23.5551 -23.5551 -23.5042 -23.5042 15.3792 15.3792 15.4179 15.4179 20.2464 20.2464 20.2928 20.2928 21.0059 21.0059 25.5577 25.5577 31.7345 31.7345 k = 0.3853-0.2725 0.4719 ( 976 PWs) bands (ev): -52.1567 -52.1567 -24.5038 -24.5038 -23.5581 -23.5581 -23.5104 -23.5104 15.3468 15.3468 15.3724 15.3724 20.3164 20.3164 20.3627 20.3627 21.0415 21.0415 25.7516 25.7516 31.5750 31.5750 k = 0.3899-0.2757 0.4775 ( 980 PWs) bands (ev): -52.1555 -52.1555 -24.5080 -24.5080 -23.5614 -23.5614 -23.5164 -23.5164 15.3087 15.3087 15.3285 15.3285 20.3830 20.3830 20.4292 20.4292 21.0758 21.0758 25.9423 25.9423 31.4181 31.4181 k = 0.3945-0.2790 0.4832 ( 980 PWs) bands (ev): -52.1529 -52.1529 -24.5118 -24.5118 -23.5641 -23.5641 -23.5221 -23.5221 15.2755 15.2755 15.2862 15.2862 20.4526 20.4526 20.4987 20.4987 21.1093 21.1093 26.1380 26.1380 31.2656 31.2656 k = 0.3991-0.2822 0.4888 ( 980 PWs) bands (ev): -52.1504 -52.1504 -24.5154 -24.5154 -23.5666 -23.5666 -23.5277 -23.5277 15.2424 15.2424 15.2456 15.2456 20.5219 20.5219 20.5678 20.5678 21.1417 21.1417 26.3339 26.3339 31.1168 31.1168 k = 0.4037-0.2854 0.4944 ( 980 PWs) bands (ev): -52.1480 -52.1480 -24.5189 -24.5189 -23.5689 -23.5689 -23.5331 -23.5331 15.2067 15.2067 15.2095 15.2095 20.5906 20.5906 20.6363 20.6363 21.1730 21.1730 26.5298 26.5298 30.9720 30.9720 k = 0.4083-0.2887 0.5000 ( 992 PWs) bands (ev): -52.1504 -52.1504 -24.5229 -24.5229 -23.5718 -23.5718 -23.5392 -23.5392 15.1602 15.1602 15.1754 15.1754 20.6452 20.6452 20.6905 20.6905 21.1900 21.1900 26.7234 26.7234 30.8303 30.8303 k = 0.4128-0.2919 0.5056 ( 992 PWs) bands (ev): -52.1482 -52.1482 -24.5260 -24.5260 -23.5738 -23.5738 -23.5441 -23.5441 15.1246 15.1246 15.1434 15.1434 20.7120 20.7120 20.7571 20.7571 21.2187 21.2187 26.9177 26.9177 30.6943 30.6943 k = 0.4174-0.2952 0.5112 ( 992 PWs) bands (ev): -52.1461 -52.1461 -24.5290 -24.5290 -23.5757 -23.5757 -23.5488 -23.5488 15.0907 15.0907 15.1121 15.1121 20.7778 20.7778 20.8225 20.8225 21.2463 21.2463 27.1104 27.1104 30.5630 30.5630 k = 0.4220-0.2984 0.5169 ( 992 PWs) bands (ev): -52.1441 -52.1441 -24.5319 -24.5319 -23.5774 -23.5774 -23.5532 -23.5532 15.0586 15.0586 15.0818 15.0818 20.8422 20.8422 20.8865 20.8865 21.2726 21.2726 27.3010 27.3010 30.4366 30.4366 k = 0.4266-0.3017 0.5225 ( 992 PWs) bands (ev): -52.1422 -52.1422 -24.5345 -24.5345 -23.5790 -23.5790 -23.5575 -23.5575 15.0283 15.0283 15.0524 15.0524 20.9049 20.9049 20.9488 20.9488 21.2976 21.2976 27.4889 27.4889 30.3154 30.3154 k = 0.4312-0.3049 0.5281 ( 984 PWs) bands (ev): -52.1372 -52.1372 -24.5366 -24.5366 -23.5801 -23.5801 -23.5607 -23.5607 15.0012 15.0012 15.0256 15.0256 20.9729 20.9729 21.0163 21.0163 21.3429 21.3429 27.6752 27.6752 30.2016 30.2016 k = 0.4358-0.3081 0.5337 ( 984 PWs) bands (ev): -52.1355 -52.1355 -24.5389 -24.5389 -23.5815 -23.5815 -23.5645 -23.5645 14.9744 14.9744 14.9987 14.9987 21.0318 21.0318 21.0746 21.0746 21.3652 21.3652 27.8552 27.8552 30.0915 30.0915 k = 0.4404-0.3114 0.5393 ( 984 PWs) bands (ev): -52.1339 -52.1339 -24.5411 -24.5411 -23.5827 -23.5827 -23.5680 -23.5680 14.9494 14.9494 14.9732 14.9732 21.0883 21.0883 21.1305 21.1305 21.3862 21.3862 28.0300 28.0300 29.9876 29.9876 k = 0.4450-0.3146 0.5450 ( 992 PWs) bands (ev): -52.1355 -52.1355 -24.5437 -24.5437 -23.5845 -23.5845 -23.5717 -23.5717 14.9253 14.9253 14.9488 14.9488 21.1259 21.1259 21.1673 21.1673 21.3974 21.3974 28.1986 28.1986 29.8894 29.8894 k = 0.4495-0.3179 0.5506 ( 984 PWs) bands (ev): -52.1310 -52.1310 -24.5451 -24.5451 -23.5850 -23.5850 -23.5741 -23.5741 14.9067 14.9067 14.9266 14.9266 21.1884 21.1884 21.2288 21.2288 21.4277 21.4277 28.3610 28.3610 29.8006 29.8006 k = 0.4541-0.3211 0.5562 ( 984 PWs) bands (ev): -52.1298 -52.1298 -24.5468 -24.5468 -23.5859 -23.5859 -23.5769 -23.5769 14.8871 14.8871 14.9059 14.9059 21.2358 21.2358 21.2752 21.2752 21.4446 21.4446 28.5143 28.5143 29.7170 29.7170 k = 0.4587-0.3244 0.5618 ( 992 PWs) bands (ev): -52.1319 -52.1319 -24.5488 -24.5488 -23.5877 -23.5877 -23.5795 -23.5795 14.8691 14.8691 14.8771 14.8771 21.2704 21.2704 21.3087 21.3087 21.4595 21.4595 28.6545 28.6545 29.6408 29.6408 k = 0.4633-0.3276 0.5674 ( 988 PWs) bands (ev): -52.1294 -52.1294 -24.5500 -24.5500 -23.5881 -23.5881 -23.5815 -23.5815 14.8556 14.8556 14.8598 14.8598 21.3182 21.3182 21.3544 21.3544 21.4744 21.4744 28.7873 28.7873 29.5739 29.5739 k = 0.4679-0.3308 0.5730 ( 976 PWs) bands (ev): -52.1238 -52.1238 -24.5505 -24.5505 -23.5876 -23.5876 -23.5830 -23.5830 14.8428 14.8428 14.8484 14.8484 21.3778 21.3778 21.4095 21.4095 21.4956 21.4956 28.9068 28.9068 29.5167 29.5167 k = 0.4725-0.3341 0.5787 ( 976 PWs) bands (ev): -52.1232 -52.1232 -24.5516 -24.5516 -23.5881 -23.5881 -23.5847 -23.5847 14.8306 14.8306 14.8348 14.8348 21.4094 21.4094 21.4369 21.4369 21.5094 21.5094 29.0107 29.0107 29.4684 29.4684 k = 0.4771-0.3373 0.5843 ( 976 PWs) bands (ev): -52.1226 -52.1226 -24.5525 -24.5525 -23.5886 -23.5886 -23.5862 -23.5862 14.8202 14.8202 14.8232 14.8232 21.4364 21.4364 21.4587 21.4587 21.5230 21.5230 29.0957 29.0957 29.4330 29.4330 k = 0.4817-0.3406 0.5899 ( 976 PWs) bands (ev): -52.1222 -52.1222 -24.5532 -24.5532 -23.5889 -23.5889 -23.5874 -23.5874 14.8117 14.8117 14.8137 14.8137 21.4589 21.4589 21.4750 21.4750 21.5359 21.5359 29.1573 29.1573 29.4137 29.4137 k = 0.4862-0.3438 0.5955 ( 976 PWs) bands (ev): -52.1218 -52.1218 -24.5538 -24.5538 -23.5892 -23.5892 -23.5884 -23.5884 14.8051 14.8051 14.8062 14.8062 21.4765 21.4765 21.4864 21.4864 21.5474 21.5474 29.1926 29.1926 29.4125 29.4125 k = 0.4908-0.3471 0.6011 ( 976 PWs) bands (ev): -52.1216 -52.1216 -24.5542 -24.5542 -23.5894 -23.5894 -23.5890 -23.5890 14.8004 14.8004 14.8009 14.8009 21.4892 21.4892 21.4939 21.4939 21.5563 21.5563 29.2066 29.2066 29.4236 29.4236 k = 0.4954-0.3503 0.6068 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5895 -23.5895 -23.5894 -23.5894 14.7975 14.7975 14.7977 14.7977 21.4969 21.4969 21.4981 21.4981 21.5620 21.5620 29.2098 29.2098 29.4357 29.4357 k = 0.5000-0.3536 0.6124 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5896 -23.5896 -23.5896 -23.5896 14.7966 14.7966 14.7966 14.7966 21.4994 21.4994 21.4994 21.4994 21.5640 21.5640 29.2101 29.2101 29.4405 29.4405 k = 0.5000-0.3536 0.6124 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5896 -23.5896 -23.5896 -23.5896 14.7966 14.7966 14.7966 14.7966 21.4994 21.4994 21.4994 21.4994 21.5640 21.5640 29.2101 29.2101 29.4405 29.4405 k = 0.4936-0.3490 0.6124 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5896 -23.5896 -23.5894 -23.5894 14.7975 14.7975 14.7976 14.7976 21.4964 21.4964 21.4986 21.4986 21.5621 21.5621 29.2100 29.2100 29.4378 29.4378 k = 0.4872-0.3445 0.6124 ( 976 PWs) bands (ev): -52.1216 -52.1216 -24.5542 -24.5542 -23.5896 -23.5896 -23.5888 -23.5888 14.8004 14.8004 14.8007 14.8007 21.4874 21.4874 21.4957 21.4957 21.5569 21.5569 29.2089 29.2089 29.4297 29.4297 k = 0.4808-0.3400 0.6124 ( 976 PWs) bands (ev): -52.1218 -52.1218 -24.5538 -24.5538 -23.5897 -23.5897 -23.5879 -23.5879 14.8052 14.8052 14.8057 14.8057 21.4722 21.4722 21.4894 21.4894 21.5499 21.5499 29.2054 29.2054 29.4168 29.4168 k = 0.4744-0.3354 0.6124 ( 976 PWs) bands (ev): -52.1222 -52.1222 -24.5533 -24.5533 -23.5899 -23.5899 -23.5865 -23.5865 14.8118 14.8118 14.8129 14.8129 21.4507 21.4507 21.4780 21.4780 21.5431 21.5431 29.1972 29.1972 29.3999 29.3999 k = 0.4679-0.3309 0.6124 ( 976 PWs) bands (ev): -52.1226 -52.1226 -24.5526 -24.5526 -23.5900 -23.5900 -23.5849 -23.5849 14.8203 14.8203 14.8220 14.8220 21.4229 21.4229 21.4599 21.4599 21.5385 21.5385 29.1822 29.1822 29.3800 29.3800 k = 0.4615-0.3264 0.6124 ( 978 PWs) bands (ev): -52.1239 -52.1239 -24.5518 -24.5518 -23.5903 -23.5903 -23.5830 -23.5830 14.8295 14.8295 14.8331 14.8331 21.3872 21.3872 21.4293 21.4293 21.5358 21.5358 29.1586 29.1586 29.3579 29.3579 k = 0.4551-0.3218 0.6124 ( 982 PWs) bands (ev): -52.1262 -52.1262 -24.5510 -24.5510 -23.5906 -23.5906 -23.5810 -23.5810 14.8409 14.8409 14.8455 14.8455 21.3388 21.3388 21.3887 21.3887 21.5348 21.5348 29.1255 29.1255 29.3346 29.3346 k = 0.4487-0.3173 0.6124 ( 986 PWs) bands (ev): -52.1286 -52.1286 -24.5501 -24.5501 -23.5910 -23.5910 -23.5786 -23.5786 14.8547 14.8547 14.8593 14.8593 21.2818 21.2818 21.3459 21.3459 21.5342 21.5342 29.0830 29.0830 29.3109 29.3109 k = 0.4423-0.3128 0.6124 ( 986 PWs) bands (ev): -52.1295 -52.1295 -24.5488 -24.5488 -23.5913 -23.5913 -23.5755 -23.5755 14.8703 14.8703 14.8765 14.8765 21.2297 21.2297 21.3050 21.3050 21.5360 21.5360 29.0319 29.0319 29.2880 29.2880 k = 0.4359-0.3082 0.6124 ( 984 PWs) bands (ev): -52.1297 -52.1297 -24.5473 -24.5473 -23.5916 -23.5916 -23.5717 -23.5717 14.8884 14.8884 14.8986 14.8986 21.1633 21.1633 21.2715 21.2715 21.5382 21.5382 28.9735 28.9735 29.2639 29.2639 k = 0.4295-0.3037 0.6124 ( 988 PWs) bands (ev): -52.1325 -52.1325 -24.5459 -24.5459 -23.5921 -23.5921 -23.5681 -23.5681 14.9071 14.9071 14.9173 14.9173 21.0934 21.0934 21.2223 21.2223 21.5326 21.5326 28.9069 28.9069 29.2404 29.2404 k = 0.4231-0.2992 0.6124 ( 980 PWs) bands (ev): -52.1306 -52.1306 -24.5438 -24.5438 -23.5921 -23.5921 -23.5632 -23.5632 14.9283 14.9283 14.9451 14.9451 21.0456 21.0456 21.1753 21.1753 21.5396 21.5396 28.8360 28.8360 29.2176 29.2176 k = 0.4167-0.2946 0.6124 ( 984 PWs) bands (ev): -52.1336 -52.1336 -24.5423 -24.5423 -23.5927 -23.5927 -23.5590 -23.5590 14.9489 14.9489 14.9690 14.9690 20.9669 20.9669 21.1187 21.1187 21.5345 21.5345 28.7572 28.7572 29.1936 29.1936 k = 0.4103-0.2901 0.6124 ( 984 PWs) bands (ev): -52.1351 -52.1351 -24.5404 -24.5404 -23.5930 -23.5930 -23.5541 -23.5541 14.9722 14.9722 14.9959 14.9959 20.8913 20.8913 21.0590 21.0590 21.5381 21.5381 28.6732 28.6732 29.1702 29.1702 k = 0.4038-0.2856 0.6124 ( 984 PWs) bands (ev): -52.1366 -52.1366 -24.5384 -24.5384 -23.5933 -23.5933 -23.5488 -23.5488 14.9968 14.9968 15.0249 15.0249 20.8122 20.8122 20.9962 20.9962 21.5420 21.5420 28.5844 28.5844 29.1468 29.1468 k = 0.3974-0.2810 0.6124 ( 980 PWs) bands (ev): -52.1367 -52.1367 -24.5361 -24.5361 -23.5933 -23.5933 -23.5431 -23.5431 15.0234 15.0234 15.0601 15.0601 20.7329 20.7329 20.9312 20.9312 21.5517 21.5517 28.4941 28.4941 29.1239 29.1239 k = 0.3910-0.2765 0.6124 ( 980 PWs) bands (ev): -52.1385 -52.1385 -24.5340 -24.5340 -23.5936 -23.5936 -23.5372 -23.5372 15.0505 15.0505 15.0929 15.0929 20.6478 20.6478 20.8632 20.8632 21.5561 21.5561 28.3969 28.3969 29.1009 29.1009 k = 0.3846-0.2720 0.6124 ( 980 PWs) bands (ev): -52.1403 -52.1403 -24.5318 -24.5318 -23.5939 -23.5939 -23.5310 -23.5310 15.0785 15.0785 15.1277 15.1277 20.5603 20.5603 20.7929 20.7929 21.5609 21.5609 28.2959 28.2959 29.0782 29.0782 k = 0.3782-0.2674 0.6124 ( 980 PWs) bands (ev): -52.1422 -52.1422 -24.5295 -24.5295 -23.5942 -23.5942 -23.5245 -23.5245 15.1075 15.1075 15.1645 15.1645 20.4706 20.4706 20.7208 20.7208 21.5659 21.5659 28.1915 28.1915 29.0560 29.0560 k = 0.3718-0.2629 0.6124 ( 980 PWs) bands (ev): -52.1441 -52.1441 -24.5272 -24.5272 -23.5944 -23.5944 -23.5178 -23.5178 15.1373 15.1373 15.2032 15.2032 20.3789 20.3789 20.6471 20.6471 21.5712 21.5712 28.0838 28.0838 29.0343 29.0343 k = 0.3654-0.2584 0.6124 ( 980 PWs) bands (ev): -52.1462 -52.1462 -24.5248 -24.5248 -23.5945 -23.5945 -23.5107 -23.5107 15.1677 15.1677 15.2439 15.2439 20.2857 20.2857 20.5721 20.5721 21.5767 21.5767 27.9733 27.9733 29.0132 29.0132 k = 0.3590-0.2538 0.6124 ( 980 PWs) bands (ev): -52.1483 -52.1483 -24.5225 -24.5225 -23.5947 -23.5947 -23.5034 -23.5034 15.1985 15.1985 15.2865 15.2865 20.1910 20.1910 20.4963 20.4963 21.5825 21.5825 27.8600 27.8600 28.9928 28.9928 k = 0.3526-0.2493 0.6124 ( 976 PWs) bands (ev): -52.1488 -52.1488 -24.5199 -24.5199 -23.5945 -23.5945 -23.4955 -23.4955 15.2370 15.2370 15.3329 15.3329 20.1020 20.1020 20.4195 20.4195 21.5789 21.5789 27.7478 27.7478 28.9782 28.9782 k = 0.3462-0.2448 0.6124 ( 976 PWs) bands (ev): -52.1510 -52.1510 -24.5175 -24.5175 -23.5945 -23.5945 -23.4876 -23.4876 15.2683 15.2683 15.3793 15.3793 20.0051 20.0051 20.3427 20.3427 21.5850 21.5850 27.6298 27.6298 28.9596 28.9596 k = 0.3397-0.2402 0.6124 ( 976 PWs) bands (ev): -52.1533 -52.1533 -24.5151 -24.5151 -23.5944 -23.5944 -23.4795 -23.4795 15.2995 15.2995 15.4276 15.4276 19.9076 19.9076 20.2661 20.2661 21.5913 21.5913 27.5096 27.5096 28.9417 28.9417 k = 0.3333-0.2357 0.6124 ( 976 PWs) bands (ev): -52.1556 -52.1556 -24.5127 -24.5127 -23.5943 -23.5943 -23.4712 -23.4712 15.3304 15.3304 15.4778 15.4778 19.8095 19.8095 20.1901 20.1901 21.5978 21.5978 27.3874 27.3874 28.9248 28.9248 k = 0.3269-0.2312 0.6124 ( 976 PWs) bands (ev): -52.1580 -52.1580 -24.5104 -24.5104 -23.5940 -23.5940 -23.4626 -23.4626 15.3608 15.3608 15.5299 15.5299 19.7110 19.7110 20.1150 20.1150 21.6045 21.6045 27.2633 27.2633 28.9087 28.9087 k = 0.3205-0.2266 0.6124 ( 968 PWs) bands (ev): -52.1574 -52.1574 -24.5076 -24.5076 -23.5934 -23.5934 -23.4530 -23.4530 15.3914 15.3914 15.5877 15.5877 19.6248 19.6248 20.0522 20.0522 21.6124 21.6124 27.1419 27.1419 28.8965 28.8965 k = 0.3141-0.2221 0.6124 ( 968 PWs) bands (ev): -52.1599 -52.1599 -24.5054 -24.5054 -23.5930 -23.5930 -23.4441 -23.4441 15.4200 15.4200 15.6435 15.6435 19.5258 19.5258 19.9800 19.9800 21.6194 21.6194 27.0146 27.0146 28.8824 28.8824 k = 0.3077-0.2176 0.6124 ( 968 PWs) bands (ev): -52.1624 -52.1624 -24.5032 -24.5032 -23.5925 -23.5925 -23.4350 -23.4350 15.4474 15.4474 15.7011 15.7011 19.4270 19.4270 19.9099 19.9099 21.6266 21.6266 26.8859 26.8859 28.8692 28.8692 k = 0.3013-0.2130 0.6124 ( 966 PWs) bands (ev): -52.1642 -52.1642 -24.5009 -24.5009 -23.5919 -23.5919 -23.4254 -23.4254 15.4735 15.4735 15.7605 15.7605 19.3344 19.3344 19.8438 19.8438 21.6338 21.6338 26.7558 26.7558 28.8584 28.8584 k = 0.2949-0.2085 0.6124 ( 966 PWs) bands (ev): -52.1668 -52.1668 -24.4988 -24.4988 -23.5912 -23.5912 -23.4160 -23.4160 15.4976 15.4976 15.8217 15.8217 19.2363 19.2363 19.7792 19.7792 21.6412 21.6412 26.6245 26.6245 28.8470 28.8470 k = 0.2885-0.2040 0.6124 ( 966 PWs) bands (ev): -52.1694 -52.1694 -24.4968 -24.4968 -23.5904 -23.5904 -23.4064 -23.4064 15.5197 15.5197 15.8848 15.8848 19.1387 19.1387 19.7179 19.7179 21.6488 21.6488 26.4920 26.4920 28.8365 28.8365 k = 0.2821-0.1994 0.6124 ( 966 PWs) bands (ev): -52.1721 -52.1721 -24.4949 -24.4949 -23.5895 -23.5895 -23.3967 -23.3967 15.5394 15.5394 15.9497 15.9497 19.0419 19.0419 19.6603 19.6603 21.6564 21.6564 26.3585 26.3585 28.8268 28.8268 k = 0.2756-0.1949 0.6124 ( 972 PWs) bands (ev): -52.1771 -52.1771 -24.4933 -24.4933 -23.5886 -23.5886 -23.3876 -23.3876 15.5555 15.5555 16.0151 16.0151 18.9431 18.9431 19.5906 19.5906 21.6640 21.6640 26.2231 26.2231 28.8103 28.8103 k = 0.2692-0.1904 0.6124 ( 976 PWs) bands (ev): -52.1813 -52.1813 -24.4919 -24.4919 -23.5879 -23.5879 -23.3777 -23.3777 15.5673 15.5673 16.0829 16.0829 18.8479 18.8479 19.5355 19.5355 21.6630 21.6630 26.0877 26.0877 28.7977 28.7977 k = 0.2628-0.1858 0.6124 ( 976 PWs) bands (ev): -52.1840 -52.1840 -24.4902 -24.4902 -23.5867 -23.5867 -23.3677 -23.3677 15.5784 15.5784 16.1530 16.1530 18.7540 18.7540 19.4910 19.4910 21.6708 21.6708 25.9515 25.9515 28.7900 28.7900 k = 0.2564-0.1813 0.6124 ( 976 PWs) bands (ev): -52.1867 -52.1867 -24.4887 -24.4887 -23.5854 -23.5854 -23.3577 -23.3577 15.5862 15.5862 16.2249 16.2249 18.6612 18.6612 19.4515 19.4515 21.6786 21.6786 25.8146 25.8146 28.7830 28.7830 k = 0.2500-0.1768 0.6124 ( 976 PWs) bands (ev): -52.1894 -52.1894 -24.4873 -24.4873 -23.5840 -23.5840 -23.3475 -23.3475 15.5905 15.5905 16.2986 16.2986 18.5697 18.5697 19.4173 19.4173 21.6865 21.6865 25.6771 25.6771 28.7767 28.7767 k = 0.2436-0.1722 0.6124 ( 976 PWs) bands (ev): -52.1921 -52.1921 -24.4859 -24.4859 -23.5824 -23.5824 -23.3374 -23.3374 15.5912 15.5912 16.3739 16.3739 18.4796 18.4796 19.3884 19.3884 21.6945 21.6945 25.5390 25.5390 28.7711 28.7711 k = 0.2372-0.1677 0.6124 ( 968 PWs) bands (ev): -52.1916 -52.1916 -24.4842 -24.4842 -23.5801 -23.5801 -23.3268 -23.3268 15.5914 15.5914 16.4516 16.4516 18.3943 18.3943 19.3719 19.3719 21.7253 21.7253 25.4022 25.4022 28.7692 28.7692 k = 0.2308-0.1632 0.6124 ( 968 PWs) bands (ev): -52.1943 -52.1943 -24.4831 -24.4831 -23.5784 -23.5784 -23.3167 -23.3167 15.5846 15.5846 16.5303 16.5303 18.3071 18.3071 19.3543 19.3543 21.7331 21.7331 25.2631 25.2631 28.7649 28.7649 k = 0.2244-0.1586 0.6124 ( 968 PWs) bands (ev): -52.1969 -52.1969 -24.4821 -24.4821 -23.5766 -23.5766 -23.3065 -23.3065 15.5741 15.5741 16.6107 16.6107 18.2215 18.2215 19.3422 19.3422 21.7409 21.7409 25.1237 25.1237 28.7613 28.7613 k = 0.2179-0.1541 0.6124 ( 970 PWs) bands (ev): -52.2003 -52.2003 -24.4813 -24.4813 -23.5748 -23.5748 -23.2966 -23.2966 15.5592 15.5592 16.6893 16.6893 18.1376 18.1376 19.3345 19.3345 21.7487 21.7487 24.9811 24.9811 28.7581 28.7581 k = 0.2115-0.1496 0.6124 ( 970 PWs) bands (ev): -52.2028 -52.2028 -24.4805 -24.4805 -23.5728 -23.5728 -23.2865 -23.2865 15.5418 15.5418 16.7729 16.7729 18.0554 18.0554 19.3331 19.3331 21.7564 21.7564 24.8410 24.8410 28.7555 28.7555 k = 0.2051-0.1450 0.6124 ( 970 PWs) bands (ev): -52.2054 -52.2054 -24.4798 -24.4798 -23.5707 -23.5707 -23.2766 -23.2766 15.5210 15.5210 16.8581 16.8581 17.9751 17.9751 19.3369 19.3369 21.7641 21.7641 24.7006 24.7006 28.7534 28.7534 k = 0.1987-0.1405 0.6124 ( 966 PWs) bands (ev): -52.2063 -52.2063 -24.4789 -24.4789 -23.5683 -23.5683 -23.2665 -23.2665 15.5000 15.5000 16.9489 16.9489 17.8974 17.8974 19.3457 19.3457 21.7748 21.7748 24.5671 24.5671 28.7541 28.7541 k = 0.1923-0.1360 0.6124 ( 966 PWs) bands (ev): -52.2088 -52.2088 -24.4784 -24.4784 -23.5662 -23.5662 -23.2567 -23.2567 15.4734 15.4734 17.0372 17.0372 17.8209 17.8209 19.3589 19.3589 21.7823 21.7823 24.4265 24.4265 28.7529 28.7529 k = 0.1859-0.1314 0.6124 ( 974 PWs) bands (ev): -52.2144 -52.2144 -24.4785 -24.4785 -23.5644 -23.5644 -23.2476 -23.2476 15.4418 15.4418 17.1180 17.1180 17.7385 17.7385 19.3756 19.3756 21.7853 21.7853 24.2784 24.2784 28.7485 28.7485 k = 0.1795-0.1269 0.6124 ( 974 PWs) bands (ev): -52.2168 -52.2168 -24.4782 -24.4782 -23.5621 -23.5621 -23.2381 -23.2381 15.4105 15.4105 17.2093 17.2093 17.6660 17.6660 19.3970 19.3970 21.7925 21.7925 24.1375 24.1375 28.7480 28.7480 k = 0.1731-0.1224 0.6124 ( 974 PWs) bands (ev): -52.2192 -52.2192 -24.4780 -24.4780 -23.5598 -23.5598 -23.2287 -23.2287 15.3772 15.3772 17.3021 17.3021 17.5956 17.5956 19.4220 19.4220 21.7996 21.7996 23.9966 23.9966 28.7478 28.7478 k = 0.1667-0.1179 0.6124 ( 974 PWs) bands (ev): -52.2215 -52.2215 -24.4779 -24.4779 -23.5575 -23.5575 -23.2195 -23.2195 15.3424 15.3424 17.3963 17.3963 17.5275 17.5275 19.4502 19.4502 21.8066 21.8066 23.8558 23.8558 28.7480 28.7480 k = 0.1603-0.1133 0.6124 ( 974 PWs) bands (ev): -52.2237 -52.2237 -24.4778 -24.4778 -23.5551 -23.5551 -23.2105 -23.2105 15.3064 15.3064 17.4604 17.4604 17.4931 17.4931 19.4811 19.4811 21.8134 21.8134 23.7151 23.7151 28.7484 28.7484 k = 0.1538-0.1088 0.6124 ( 974 PWs) bands (ev): -52.2259 -52.2259 -24.4778 -24.4778 -23.5528 -23.5528 -23.2017 -23.2017 15.2694 15.2694 17.3973 17.3973 17.5898 17.5898 19.5144 19.5144 21.8201 21.8201 23.5746 23.5746 28.7491 28.7491 k = 0.1474-0.1043 0.6124 ( 970 PWs) bands (ev): -52.2264 -52.2264 -24.4778 -24.4778 -23.5503 -23.5503 -23.1925 -23.1925 15.2320 15.2320 17.3365 17.3365 17.6892 17.6892 19.5625 19.5625 21.8267 21.8267 23.4355 23.4355 28.7554 28.7554 k = 0.1410-0.0997 0.6124 ( 974 PWs) bands (ev): -52.2301 -52.2301 -24.4781 -24.4781 -23.5482 -23.5482 -23.1846 -23.1846 15.1941 15.1941 17.2730 17.2730 17.7864 17.7864 19.5946 19.5946 21.8316 21.8316 23.2927 23.2927 28.7527 28.7527 k = 0.1346-0.0952 0.6124 ( 982 PWs) bands (ev): -52.2353 -52.2353 -24.4788 -24.4788 -23.5464 -23.5464 -23.1770 -23.1770 15.1542 15.1542 17.2081 17.2081 17.8790 17.8790 19.6335 19.6335 21.8267 21.8267 23.1457 23.1457 28.7511 28.7511 k = 0.1282-0.0907 0.6124 ( 982 PWs) bands (ev): -52.2373 -52.2373 -24.4790 -24.4790 -23.5441 -23.5441 -23.1692 -23.1692 15.1163 15.1163 17.1535 17.1535 17.9818 17.9818 19.6721 19.6721 21.8325 21.8325 23.0060 23.0060 28.7523 28.7523 k = 0.1218-0.0861 0.6124 ( 982 PWs) bands (ev): -52.2392 -52.2392 -24.4793 -24.4793 -23.5418 -23.5418 -23.1616 -23.1616 15.0790 15.0790 17.1014 17.1014 18.0859 18.0859 19.7112 19.7112 21.8380 21.8380 22.8668 22.8668 28.7537 28.7537 k = 0.1154-0.0816 0.6124 ( 980 PWs) bands (ev): -52.2403 -52.2403 -24.4795 -24.4795 -23.5396 -23.5396 -23.1541 -23.1541 15.0423 15.0423 17.0517 17.0517 18.1933 18.1933 19.7547 19.7547 21.8433 21.8433 22.7312 22.7312 28.7560 28.7560 k = 0.1090-0.0771 0.6124 ( 980 PWs) bands (ev): -52.2420 -52.2420 -24.4798 -24.4798 -23.5375 -23.5375 -23.1472 -23.1472 15.0065 15.0065 17.0046 17.0046 18.2999 18.2999 19.7938 19.7938 21.8484 21.8484 22.5928 22.5928 28.7576 28.7576 k = 0.1026-0.0725 0.6124 ( 980 PWs) bands (ev): -52.2437 -52.2437 -24.4802 -24.4802 -23.5354 -23.5354 -23.1406 -23.1406 14.9718 14.9718 16.9600 16.9600 18.4079 18.4079 19.8324 19.8324 21.8532 21.8532 22.4549 22.4549 28.7592 28.7592 k = 0.0962-0.0680 0.6124 ( 980 PWs) bands (ev): -52.2452 -52.2452 -24.4805 -24.4805 -23.5334 -23.5334 -23.1343 -23.1343 14.9384 14.9384 16.9180 16.9180 18.5170 18.5170 19.8703 19.8703 21.8577 21.8577 22.3176 22.3176 28.7608 28.7608 k = 0.0897-0.0635 0.6124 ( 980 PWs) bands (ev): -52.2467 -52.2467 -24.4809 -24.4809 -23.5315 -23.5315 -23.1283 -23.1283 14.9065 14.9065 16.8786 16.8786 18.6274 18.6274 19.9072 19.9072 21.8618 21.8618 22.1811 22.1811 28.7625 28.7625 k = 0.0833-0.0589 0.6124 ( 984 PWs) bands (ev): -52.2497 -52.2497 -24.4814 -24.4814 -23.5299 -23.5299 -23.1233 -23.1233 14.8760 14.8760 16.8396 16.8396 18.7370 18.7370 19.9336 19.9336 21.8650 21.8650 22.0437 22.0437 28.7584 28.7584 k = 0.0769-0.0544 0.6124 ( 984 PWs) bands (ev): -52.2509 -52.2509 -24.4818 -24.4818 -23.5282 -23.5282 -23.1181 -23.1181 14.8474 14.8474 16.8054 16.8054 18.8496 18.8496 19.9674 19.9674 21.8643 21.8643 21.9127 21.9127 28.7599 28.7599 k = 0.0705-0.0499 0.6124 ( 984 PWs) bands (ev): -52.2521 -52.2521 -24.4821 -24.4821 -23.5266 -23.5266 -23.1132 -23.1132 14.8206 14.8206 16.7739 16.7739 18.9632 18.9632 19.9994 19.9994 21.7697 21.7697 21.8763 21.8763 28.7614 28.7614 k = 0.0641-0.0453 0.6124 ( 984 PWs) bands (ev): -52.2532 -52.2532 -24.4825 -24.4825 -23.5251 -23.5251 -23.1088 -23.1088 14.7958 14.7958 16.7451 16.7451 19.0778 19.0778 20.0294 20.0294 21.6374 21.6374 21.8782 21.8782 28.7628 28.7628 k = 0.0577-0.0408 0.6124 ( 982 PWs) bands (ev): -52.2534 -52.2534 -24.4828 -24.4828 -23.5237 -23.5237 -23.1044 -23.1044 14.7734 14.7734 16.7193 16.7193 19.1932 19.1932 20.0640 20.0640 21.5050 21.5050 21.8808 21.8808 28.7679 28.7679 k = 0.0513-0.0363 0.6124 ( 982 PWs) bands (ev): -52.2543 -52.2543 -24.4831 -24.4831 -23.5224 -23.5224 -23.1008 -23.1008 14.7528 14.7528 16.6959 16.6959 19.3094 19.3094 20.0892 20.0892 21.3736 21.3736 21.8834 21.8834 28.7691 28.7691 k = 0.0449-0.0317 0.6124 ( 982 PWs) bands (ev): -52.2551 -52.2551 -24.4833 -24.4833 -23.5214 -23.5214 -23.0975 -23.0975 14.7345 14.7345 16.6752 16.6752 19.4261 19.4261 20.1119 20.1119 21.2435 21.2435 21.8857 21.8857 28.7701 28.7701 k = 0.0385-0.0272 0.6124 ( 982 PWs) bands (ev): -52.2557 -52.2557 -24.4836 -24.4836 -23.5204 -23.5204 -23.0947 -23.0947 14.7185 14.7185 16.6573 16.6573 19.5430 19.5430 20.1319 20.1319 21.1150 21.1150 21.8878 21.8878 28.7711 28.7711 k = 0.0321-0.0227 0.6124 ( 986 PWs) bands (ev): -52.2579 -52.2579 -24.4840 -24.4840 -23.5197 -23.5197 -23.0927 -23.0927 14.7047 14.7047 16.6417 16.6417 19.6542 19.6542 20.1429 20.1429 20.9812 20.9812 21.8892 21.8892 28.7710 28.7710 k = 0.0256-0.0181 0.6124 ( 986 PWs) bands (ev): -52.2584 -52.2584 -24.4842 -24.4842 -23.5190 -23.5190 -23.0908 -23.0908 14.6935 14.6935 16.6293 16.6293 19.7697 19.7697 20.1570 20.1570 20.8575 20.8575 21.8907 21.8907 28.7717 28.7717 k = 0.0192-0.0136 0.6124 ( 978 PWs) bands (ev): -52.2555 -52.2555 -24.4839 -24.4839 -23.5181 -23.5181 -23.0885 -23.0885 14.6853 14.6853 16.6266 16.6266 19.8863 19.8863 20.1715 20.1715 20.7555 20.7555 21.8978 21.8978 28.7743 28.7743 k = 0.0128-0.0091 0.6124 ( 978 PWs) bands (ev): -52.2558 -52.2558 -24.4840 -24.4840 -23.5177 -23.5177 -23.0874 -23.0874 14.6790 14.6790 16.6196 16.6196 19.9897 19.9897 20.1792 20.1792 20.6475 20.6475 21.8986 21.8986 28.7747 28.7747 k = 0.0064-0.0045 0.6124 ( 978 PWs) bands (ev): -52.2560 -52.2560 -24.4840 -24.4840 -23.5175 -23.5175 -23.0868 -23.0868 14.6752 14.6752 16.6154 16.6154 20.0732 20.0732 20.1835 20.1835 20.5617 20.5617 21.8991 21.8991 28.7749 28.7749 k = 0.0000 0.0000 0.6124 ( 978 PWs) bands (ev): -52.2561 -52.2561 -24.4841 -24.4841 -23.5174 -23.5174 -23.0865 -23.0865 14.6740 14.6740 16.6140 16.6140 20.1088 20.1088 20.1845 20.1845 20.5257 20.5257 21.8992 21.8992 28.7750 28.7750 k = 0.0000 0.0000 0.6124 ( 978 PWs) bands (ev): -52.2561 -52.2561 -24.4841 -24.4841 -23.5174 -23.5174 -23.0865 -23.0865 14.6740 14.6740 16.6140 16.6140 20.1088 20.1088 20.1845 20.1845 20.5257 20.5257 21.8992 21.8992 28.7750 28.7750 k = 0.0000 0.0000 0.6045 ( 978 PWs) bands (ev): -52.2561 -52.2561 -24.4838 -24.4838 -23.5173 -23.5173 -23.0865 -23.0865 14.6741 14.6741 16.6146 16.6146 20.0986 20.0986 20.1892 20.1892 20.5255 20.5255 21.8973 21.8973 28.7826 28.7826 k = 0.0000 0.0000 0.5967 ( 978 PWs) bands (ev): -52.2563 -52.2563 -24.4831 -24.4831 -23.5168 -23.5168 -23.0864 -23.0864 14.6745 14.6745 16.6163 16.6163 20.0727 20.0727 20.1986 20.1986 20.5248 20.5248 21.8914 21.8914 28.8053 28.8053 k = 0.0000 0.0000 0.5888 ( 979 PWs) bands (ev): -52.2571 -52.2571 -24.4819 -24.4819 -23.5160 -23.5160 -23.0862 -23.0862 14.6729 14.6729 16.6190 16.6190 20.0364 20.0364 20.2075 20.2075 20.5238 20.5238 21.8816 21.8816 28.8395 28.8395 k = 0.0000 0.0000 0.5810 ( 985 PWs) bands (ev): -52.2600 -52.2600 -24.4806 -24.4806 -23.5152 -23.5152 -23.0864 -23.0864 14.6731 14.6731 16.6215 16.6215 19.9910 19.9910 20.2094 20.2094 20.5088 20.5088 21.8575 21.8575 28.8916 28.8916 k = 0.0000 0.0000 0.5731 ( 989 PWs) bands (ev): -52.2623 -52.2623 -24.4786 -24.4786 -23.5139 -23.5139 -23.0865 -23.0865 14.6740 14.6740 16.6208 16.6208 19.9389 19.9389 20.2125 20.2125 20.5000 20.5000 21.8360 21.8360 28.9560 28.9560 k = 0.0000 0.0000 0.5653 ( 985 PWs) bands (ev): -52.2616 -52.2616 -24.4754 -24.4754 -23.5118 -23.5118 -23.0861 -23.0861 14.6800 14.6800 16.6268 16.6268 19.8800 19.8800 20.2158 20.2158 20.4979 20.4979 21.8236 21.8236 29.0424 29.0424 k = 0.0000 0.0000 0.5574 ( 985 PWs) bands (ev): -52.2627 -52.2627 -24.4722 -24.4722 -23.5096 -23.5096 -23.0856 -23.0856 14.6809 14.6809 16.6339 16.6339 19.8143 19.8143 20.2157 20.2157 20.4949 20.4949 21.7983 21.7983 29.1353 29.1353 k = 0.0000 0.0000 0.5496 ( 985 PWs) bands (ev): -52.2638 -52.2638 -24.4686 -24.4686 -23.5071 -23.5071 -23.0851 -23.0851 14.6816 14.6816 16.6420 16.6420 19.7425 19.7425 20.2138 20.2138 20.4915 20.4915 21.7694 21.7694 29.2406 29.2406 k = 0.0000 0.0000 0.5417 ( 981 PWs) bands (ev): -52.2636 -52.2636 -24.4643 -24.4643 -23.5041 -23.5041 -23.0841 -23.0841 14.6822 14.6822 16.6516 16.6516 19.6658 19.6658 20.2155 20.2155 20.5007 20.5007 21.7374 21.7374 29.3584 29.3584 k = 0.0000 0.0000 0.5339 ( 981 PWs) bands (ev): -52.2650 -52.2650 -24.4597 -24.4597 -23.5009 -23.5009 -23.0835 -23.0835 14.6823 14.6823 16.6618 16.6618 19.5834 19.5834 20.2105 20.2105 20.4964 20.4964 21.7017 21.7017 29.4866 29.4866 k = 0.0000 0.0000 0.5260 ( 981 PWs) bands (ev): -52.2666 -52.2666 -24.4547 -24.4547 -23.4974 -23.4974 -23.0828 -23.0828 14.6819 14.6819 16.6731 16.6731 19.4968 19.4968 20.2043 20.2043 20.4917 20.4917 21.6626 21.6626 29.6252 29.6252 k = 0.0000 0.0000 0.5182 ( 981 PWs) bands (ev): -52.2683 -52.2683 -24.4493 -24.4493 -23.4936 -23.4936 -23.0820 -23.0820 14.6807 14.6807 16.6854 16.6854 19.4068 19.4068 20.1970 20.1970 20.4866 20.4866 21.6204 21.6204 29.7734 29.7734 k = 0.0000 0.0000 0.5103 ( 985 PWs) bands (ev): -52.2717 -52.2717 -24.4437 -24.4437 -23.4898 -23.4898 -23.0813 -23.0813 14.6776 14.6776 16.6975 16.6975 19.3137 19.3137 20.1866 20.1866 20.4790 20.4790 21.5607 21.5607 29.9302 29.9302 k = 0.0000 0.0000 0.5025 ( 985 PWs) bands (ev): -52.2737 -52.2737 -24.4375 -24.4375 -23.4854 -23.4854 -23.0804 -23.0804 14.6743 14.6743 16.7117 16.7117 19.2189 19.2189 20.1773 20.1773 20.4733 20.4733 21.5124 21.5124 30.0958 30.0958 k = 0.0000 0.0000 0.4946 ( 979 PWs) bands (ev): -52.2736 -52.2736 -24.4302 -24.4302 -23.4801 -23.4801 -23.0793 -23.0793 14.6735 14.6735 16.7274 16.7274 19.1242 19.1242 20.1692 20.1692 20.4751 20.4751 21.4739 21.4739 30.2726 30.2726 k = 0.0000 0.0000 0.4868 ( 979 PWs) bands (ev): -52.2758 -52.2758 -24.4232 -24.4232 -23.4751 -23.4751 -23.0782 -23.0782 14.6669 14.6669 16.7436 16.7436 19.0278 19.0278 20.1582 20.1582 20.4687 20.4687 21.4199 21.4199 30.4529 30.4529 k = 0.0000 0.0000 0.4789 ( 981 PWs) bands (ev): -52.2790 -52.2790 -24.4161 -24.4161 -23.4698 -23.4698 -23.0772 -23.0772 14.6546 14.6546 16.7608 16.7608 18.9309 18.9309 20.1464 20.1464 20.4610 20.4610 21.3634 21.3634 30.6335 30.6335 k = 0.0000 0.0000 0.4711 ( 981 PWs) bands (ev): -52.2815 -52.2815 -24.4084 -24.4084 -23.4641 -23.4641 -23.0760 -23.0760 14.6439 14.6439 16.7789 16.7789 18.8355 18.8355 20.1342 20.1342 20.4542 20.4542 21.3047 21.3047 30.8263 30.8263 k = 0.0000 0.0000 0.4632 ( 977 PWs) bands (ev): -52.2826 -52.2826 -24.4000 -24.4000 -23.4578 -23.4578 -23.0745 -23.0745 14.6310 14.6310 16.8011 16.8011 18.7418 18.7418 20.1215 20.1215 20.4550 20.4550 21.2516 21.2516 31.0245 31.0245 k = 0.0000 0.0000 0.4554 ( 977 PWs) bands (ev): -52.2853 -52.2853 -24.3917 -24.3917 -23.4514 -23.4514 -23.0733 -23.0733 14.6149 14.6149 16.8209 16.8209 18.6504 18.6504 20.1082 20.1082 20.4476 20.4476 21.1885 21.1885 31.2277 31.2277 k = 0.0000 0.0000 0.4475 ( 981 PWs) bands (ev): -52.2898 -52.2898 -24.3834 -24.3834 -23.4450 -23.4450 -23.0721 -23.0721 14.5931 14.5931 16.8408 16.8408 18.5615 18.5615 20.0941 20.0941 20.4285 20.4285 21.1209 21.1209 31.4331 31.4331 k = 0.0000 0.0000 0.4397 ( 981 PWs) bands (ev): -52.2927 -52.2927 -24.3745 -24.3745 -23.4381 -23.4381 -23.0707 -23.0707 14.5703 14.5703 16.8623 16.8623 18.4765 18.4765 20.0802 20.0802 20.4207 20.4207 21.0543 21.0543 31.6449 31.6449 k = 0.0000 0.0000 0.4318 ( 981 PWs) bands (ev): -52.2958 -52.2958 -24.3653 -24.3653 -23.4309 -23.4309 -23.0693 -23.0693 14.5438 14.5438 16.8846 16.8846 18.3956 18.3956 20.0659 20.0659 20.4127 20.4127 20.9863 20.9863 31.8605 31.8605 k = 0.0000 0.0000 0.4240 ( 981 PWs) bands (ev): -52.2989 -52.2989 -24.3560 -24.3560 -23.4234 -23.4234 -23.0678 -23.0678 14.5133 14.5133 16.9077 16.9077 18.3193 18.3193 20.0514 20.0514 20.4047 20.4047 20.9168 20.9168 32.0793 32.0793 k = 0.0000 0.0000 0.4161 ( 981 PWs) bands (ev): -52.3021 -52.3021 -24.3464 -24.3464 -23.4157 -23.4157 -23.0662 -23.0662 14.4785 14.4785 16.9316 16.9316 18.2480 18.2480 20.0368 20.0368 20.3966 20.3966 20.8462 20.8462 32.3012 32.3012 k = 0.0000 0.0000 0.4082 ( 973 PWs) bands (ev): -52.3024 -52.3024 -24.3360 -24.3360 -23.4070 -23.4070 -23.0642 -23.0642 14.4413 14.4413 16.9565 16.9565 18.1841 18.1841 20.0267 20.0267 20.4026 20.4026 20.7898 20.7898 32.5269 32.5269 k = 0.0000 0.0000 0.4004 ( 989 PWs) bands (ev): -52.3121 -52.3121 -24.3272 -24.3272 -23.4000 -23.4000 -23.0632 -23.0632 14.3901 14.3901 16.9778 16.9778 18.1174 18.1174 19.9997 19.9997 20.3794 20.3794 20.6899 20.6899 32.7387 32.7387 k = 0.0000 0.0000 0.3925 ( 989 PWs) bands (ev): -52.3157 -52.3157 -24.3171 -24.3171 -23.3915 -23.3915 -23.0615 -23.0615 14.3418 14.3418 17.0036 17.0036 18.0627 18.0627 19.9847 19.9847 20.3705 20.3705 20.6163 20.6163 32.9670 32.9670 k = 0.0000 0.0000 0.3847 ( 989 PWs) bands (ev): -52.3193 -52.3193 -24.3069 -24.3069 -23.3827 -23.3827 -23.0597 -23.0597 14.2889 14.2889 17.0301 17.0301 18.0141 18.0141 19.9699 19.9699 20.3614 20.3614 20.5422 20.5422 33.1970 33.1970 k = 0.0000 0.0000 0.3768 ( 989 PWs) bands (ev): -52.3229 -52.3229 -24.2966 -24.2966 -23.3736 -23.3736 -23.0579 -23.0579 14.2315 14.2315 17.0571 17.0571 17.9714 17.9714 19.9554 19.9554 20.3517 20.3517 20.4685 20.4685 33.4283 33.4283 k = 0.0000 0.0000 0.3690 ( 989 PWs) bands (ev): -52.3266 -52.3266 -24.2863 -24.2863 -23.3643 -23.3643 -23.0560 -23.0560 14.1698 14.1698 17.0847 17.0847 17.9347 17.9347 19.9411 19.9411 20.3389 20.3389 20.3975 20.3975 33.6607 33.6607 k = 0.0000 0.0000 0.3611 ( 989 PWs) bands (ev): -52.3304 -52.3304 -24.2759 -24.2759 -23.3548 -23.3548 -23.0541 -23.0541 14.1025 14.1025 17.1127 17.1127 17.9024 17.9024 19.9277 19.9277 20.3052 20.3052 20.3510 20.3510 33.8893 33.8893 k = 0.0000 0.0000 0.3533 ( 989 PWs) bands (ev): -52.3342 -52.3342 -24.2654 -24.2654 -23.3451 -23.3451 -23.0522 -23.0522 14.0327 14.0327 17.1413 17.1413 17.8769 17.8769 19.9142 19.9142 20.2371 20.2371 20.3351 20.3351 34.1227 34.1227 k = 0.0000 0.0000 0.3454 ( 989 PWs) bands (ev): -52.3381 -52.3381 -24.2549 -24.2549 -23.3352 -23.3352 -23.0502 -23.0502 13.9593 13.9593 17.1703 17.1703 17.8568 17.8568 19.9011 19.9011 20.1632 20.1632 20.3254 20.3254 34.3563 34.3563 k = 0.0000 0.0000 0.3376 ( 989 PWs) bands (ev): -52.3419 -52.3419 -24.2445 -24.2445 -23.3252 -23.3252 -23.0482 -23.0482 13.8827 13.8827 17.1996 17.1996 17.8417 17.8417 19.8885 19.8885 20.0885 20.0885 20.3169 20.3169 34.5898 34.5898 k = 0.0000 0.0000 0.3297 ( 985 PWs) bands (ev): -52.3442 -52.3442 -24.2336 -24.2336 -23.3145 -23.3145 -23.0461 -23.0461 13.8049 13.8049 17.2294 17.2294 17.8401 17.8401 19.8764 19.8764 20.0149 20.0149 20.3129 20.3129 34.8300 34.8300 k = 0.0000 0.0000 0.3219 ( 985 PWs) bands (ev): -52.3481 -52.3481 -24.2233 -24.2233 -23.3041 -23.3041 -23.0440 -23.0440 13.7226 13.7226 17.2594 17.2594 17.8340 17.8340 19.8639 19.8639 19.9418 19.9418 20.3052 20.3052 35.0622 35.0622 k = 0.0000 0.0000 0.3140 ( 987 PWs) bands (ev): -52.3528 -52.3528 -24.2130 -24.2130 -23.2936 -23.2936 -23.0422 -23.0422 13.6382 13.6382 17.2896 17.2896 17.8312 17.8312 19.8404 19.8404 19.8759 19.8759 20.2935 20.2935 35.2933 35.2933 k = 0.0000 0.0000 0.3062 ( 991 PWs) bands (ev): -52.3583 -52.3583 -24.2031 -24.2031 -23.2832 -23.2832 -23.0402 -23.0402 13.5508 13.5508 17.3185 17.3185 17.8310 17.8310 19.7761 19.7761 19.8480 19.8480 20.2814 20.2814 35.5214 35.5214 k = 0.0000 0.0000 0.2983 ( 989 PWs) bands (ev): -52.3615 -52.3615 -24.1928 -24.1928 -23.2723 -23.2723 -23.0379 -23.0379 13.4635 13.4635 17.3491 17.3491 17.8354 17.8354 19.7048 19.7048 19.8400 19.8400 20.2815 20.2815 35.7501 35.7501 k = 0.0000 0.0000 0.2905 ( 981 PWs) bands (ev): -52.3622 -52.3622 -24.1824 -24.1824 -23.2610 -23.2610 -23.0349 -23.0349 13.3750 13.3750 17.3900 17.3900 17.8459 17.8459 19.6372 19.6372 19.8418 19.8418 20.2817 20.2817 35.9811 35.9811 k = 0.0000 0.0000 0.2826 ( 981 PWs) bands (ev): -52.3661 -52.3661 -24.1725 -24.1725 -23.2500 -23.2500 -23.0328 -23.0328 13.2859 13.2859 17.4207 17.4207 17.8551 17.8551 19.5658 19.5658 19.8358 19.8358 20.2750 20.2750 36.2055 36.2055 k = 0.0000 0.0000 0.2748 ( 981 PWs) bands (ev): -52.3700 -52.3700 -24.1628 -24.1628 -23.2390 -23.2390 -23.0306 -23.0306 13.1963 13.1963 17.4514 17.4514 17.8663 17.8663 19.4953 19.4953 19.8312 19.8312 20.2685 20.2685 36.4275 36.4275 k = 0.0000 0.0000 0.2669 ( 981 PWs) bands (ev): -52.3739 -52.3739 -24.1532 -24.1532 -23.2279 -23.2279 -23.0284 -23.0284 13.1068 13.1068 17.4820 17.4820 17.8790 17.8790 19.4258 19.4258 19.8280 19.8280 20.2623 20.2623 36.6468 36.6468 k = 0.0000 0.0000 0.2591 ( 981 PWs) bands (ev): -52.3777 -52.3777 -24.1438 -24.1438 -23.2168 -23.2168 -23.0262 -23.0262 13.0175 13.0175 17.5126 17.5126 17.8930 17.8930 19.3575 19.3575 19.8263 19.8263 20.2564 20.2564 36.8632 36.8632 k = 0.0000 0.0000 0.2512 ( 981 PWs) bands (ev): -52.3814 -52.3814 -24.1346 -24.1346 -23.2057 -23.2057 -23.0240 -23.0240 12.9287 12.9287 17.5430 17.5430 17.9079 17.9079 19.2903 19.2903 19.8261 19.8261 20.2508 20.2508 37.0764 37.0764 k = 0.0000 0.0000 0.2434 ( 985 PWs) bands (ev): -52.3867 -52.3867 -24.1259 -24.1259 -23.1950 -23.1950 -23.0219 -23.0219 12.8393 12.8393 17.5732 17.5732 17.9140 17.9140 19.2212 19.2212 19.8272 19.8272 20.2436 20.2436 37.2767 37.2767 k = 0.0000 0.0000 0.2355 ( 985 PWs) bands (ev): -52.3904 -52.3904 -24.1171 -24.1171 -23.1840 -23.1840 -23.0197 -23.0197 12.7524 12.7524 17.6031 17.6031 17.9296 17.9296 19.1567 19.1567 19.8299 19.8299 20.2384 20.2384 37.4825 37.4825 k = 0.0000 0.0000 0.2277 ( 973 PWs) bands (ev): -52.3894 -52.3894 -24.1079 -24.1079 -23.1723 -23.1723 -23.0166 -23.0166 12.6673 12.6673 17.6450 17.6450 17.9477 17.9477 19.1072 19.1072 19.8471 19.8471 20.2449 20.2449 37.6883 37.6883 k = 0.0000 0.0000 0.2198 ( 973 PWs) bands (ev): -52.3929 -52.3929 -24.0995 -24.0995 -23.1614 -23.1614 -23.0145 -23.0145 12.5831 12.5831 17.6742 17.6742 17.9633 17.9633 19.0455 19.0455 19.8527 19.8527 20.2402 20.2402 37.8856 37.8856 k = 0.0000 0.0000 0.2120 ( 973 PWs) bands (ev): -52.3964 -52.3964 -24.0914 -24.0914 -23.1507 -23.1507 -23.0123 -23.0123 12.5005 12.5005 17.7030 17.7030 17.9786 17.9786 18.9854 18.9854 19.8597 19.8597 20.2357 20.2357 38.0783 38.0783 k = 0.0000 0.0000 0.2041 ( 973 PWs) bands (ev): -52.3999 -52.3999 -24.0836 -24.0836 -23.1400 -23.1400 -23.0103 -23.0103 12.4197 12.4197 17.7313 17.7313 17.9935 17.9935 18.9271 18.9271 19.8682 19.8682 20.2315 20.2315 38.2662 38.2662 k = 0.0000 0.0000 0.1963 ( 973 PWs) bands (ev): -52.4032 -52.4032 -24.0760 -24.0760 -23.1296 -23.1296 -23.0082 -23.0082 12.3409 12.3409 17.7591 17.7591 18.0078 18.0078 18.8704 18.8704 19.8781 19.8781 20.2276 20.2276 38.4490 38.4490 k = 0.0000 0.0000 0.1884 ( 969 PWs) bands (ev): -52.4049 -52.4049 -24.0685 -24.0685 -23.1190 -23.1190 -23.0059 -23.0059 12.2645 12.2645 17.7899 17.7899 18.0215 18.0215 18.8240 18.8240 19.8924 19.8924 20.2260 20.2260 38.6273 38.6273 k = 0.0000 0.0000 0.1806 ( 973 PWs) bands (ev): -52.4096 -52.4096 -24.0617 -24.0617 -23.1092 -23.1092 -23.0042 -23.0042 12.1895 12.1895 17.8137 17.8137 18.0344 18.0344 18.7675 18.7675 19.9035 19.9035 20.2118 20.2118 38.7989 38.7989 k = 0.0000 0.0000 0.1727 ( 973 PWs) bands (ev): -52.4127 -52.4127 -24.0549 -24.0549 -23.0993 -23.0993 -23.0023 -23.0023 12.1174 12.1174 17.8395 17.8395 18.0465 18.0465 18.7163 18.7163 19.9169 19.9169 20.2084 20.2084 38.9653 38.9653 k = 0.0000 0.0000 0.1649 ( 973 PWs) bands (ev): -52.4157 -52.4157 -24.0484 -24.0484 -23.0897 -23.0897 -23.0004 -23.0004 12.0478 12.0478 17.8645 17.8645 18.0578 18.0578 18.6670 18.6670 19.9312 19.9312 20.2052 20.2052 39.1259 39.1259 k = 0.0000 0.0000 0.1570 ( 969 PWs) bands (ev): -52.4170 -52.4170 -24.0420 -24.0420 -23.0801 -23.0801 -22.9983 -22.9983 11.9811 11.9811 17.8926 17.8926 18.0685 18.0685 18.6275 18.6275 19.9468 19.9468 20.2068 20.2068 39.2805 39.2805 k = 0.0000 0.0000 0.1492 ( 969 PWs) bands (ev): -52.4198 -52.4198 -24.0360 -24.0360 -23.0710 -23.0710 -22.9966 -22.9966 11.9168 11.9168 17.9160 17.9160 18.0781 18.0781 18.5821 18.5821 19.9626 19.9626 20.2040 20.2040 39.4289 39.4289 k = 0.0000 0.0000 0.1413 ( 969 PWs) bands (ev): -52.4225 -52.4225 -24.0304 -24.0304 -23.0623 -23.0623 -22.9949 -22.9949 11.8553 11.8553 17.9385 17.9385 18.0869 18.0869 18.5389 18.5389 19.9790 19.9790 20.2015 20.2015 39.5709 39.5709 k = 0.0000 0.0000 0.1335 ( 969 PWs) bands (ev): -52.4250 -52.4250 -24.0251 -24.0251 -23.0539 -23.0539 -22.9932 -22.9932 11.7967 11.7967 17.9600 17.9600 18.0948 18.0948 18.4978 18.4978 19.9957 19.9957 20.1991 20.1991 39.7065 39.7065 k = 0.0000 0.0000 0.1256 ( 971 PWs) bands (ev): -52.4282 -52.4282 -24.0202 -24.0202 -23.0461 -23.0461 -22.9917 -22.9917 11.7407 11.7407 17.9804 17.9804 18.0983 18.0983 18.4589 18.4589 20.0110 20.0110 20.1935 20.1935 39.8331 39.8331 k = 0.0000 0.0000 0.1178 ( 967 PWs) bands (ev): -52.4289 -52.4289 -24.0152 -24.0152 -23.0381 -23.0381 -22.9900 -22.9900 11.6885 11.6885 18.0013 18.0013 18.1073 18.1073 18.4269 18.4269 20.0288 20.0288 20.1991 20.1991 39.9565 39.9565 k = 0.0000 0.0000 0.1099 ( 963 PWs) bands (ev): -52.4295 -52.4295 -24.0105 -24.0105 -23.0304 -23.0304 -22.9885 -22.9885 11.6393 11.6393 18.0201 18.0201 18.1188 18.1188 18.3949 18.3949 20.0478 20.0478 20.2032 20.2032 40.0739 40.0739 k = 0.0000 0.0000 0.1021 ( 963 PWs) bands (ev): -52.4316 -52.4316 -24.0064 -24.0064 -23.0235 -23.0235 -22.9872 -22.9872 11.5929 11.5929 18.0372 18.0372 18.1236 18.1236 18.3627 18.3627 20.0642 20.0642 20.2012 20.2012 40.1820 40.1820 k = 0.0000 0.0000 0.0942 ( 959 PWs) bands (ev): -52.4320 -52.4320 -24.0023 -24.0023 -23.0166 -23.0166 -22.9859 -22.9859 11.5502 11.5502 18.0534 18.0534 18.1390 18.1390 18.3337 18.3337 20.0835 20.0835 20.1999 20.1999 40.2856 40.2856 k = 0.0000 0.0000 0.0864 ( 959 PWs) bands (ev): -52.4338 -52.4338 -23.9988 -23.9988 -23.0107 -23.0107 -22.9847 -22.9847 11.5103 11.5103 18.0680 18.0680 18.1422 18.1422 18.3063 18.3063 20.0989 20.0989 20.1982 20.1982 40.3790 40.3790 k = 0.0000 0.0000 0.0785 ( 959 PWs) bands (ev): -52.4355 -52.4355 -23.9956 -23.9956 -23.0052 -23.0052 -22.9836 -22.9836 11.4737 11.4737 18.0813 18.0813 18.1449 18.1449 18.2814 18.2814 20.1134 20.1134 20.1968 20.1968 40.4649 40.4649 k = 0.0000 0.0000 0.0707 ( 959 PWs) bands (ev): -52.4370 -52.4370 -23.9927 -23.9927 -23.0002 -23.0002 -22.9827 -22.9827 11.4405 11.4405 18.0933 18.0933 18.1470 18.1470 18.2591 18.2591 20.1271 20.1271 20.1954 20.1954 40.5432 40.5432 k = 0.0000 0.0000 0.0628 ( 959 PWs) bands (ev): -52.4384 -52.4384 -23.9901 -23.9901 -22.9957 -22.9957 -22.9818 -22.9818 11.4107 11.4107 18.1037 18.1037 18.1487 18.1487 18.2396 18.2396 20.1396 20.1396 20.1943 20.1943 40.6139 40.6139 k = 0.0000 0.0000 0.0550 ( 959 PWs) bands (ev): -52.4396 -52.4396 -23.9878 -23.9878 -22.9917 -22.9917 -22.9810 -22.9810 11.3843 11.3843 18.1127 18.1127 18.1496 18.1496 18.2231 18.2231 20.1510 20.1510 20.1933 20.1933 40.6767 40.6767 k = 0.0000 0.0000 0.0471 ( 959 PWs) bands (ev): -52.4406 -52.4406 -23.9858 -23.9858 -22.9882 -22.9882 -22.9803 -22.9803 11.3614 11.3614 18.1201 18.1201 18.1496 18.1496 18.2098 18.2098 20.1611 20.1611 20.1924 20.1924 40.7315 40.7315 k = 0.0000 0.0000 0.0393 ( 959 PWs) bands (ev): -52.4415 -52.4415 -23.9841 -23.9841 -22.9852 -22.9852 -22.9797 -22.9797 11.3419 11.3419 18.1261 18.1261 18.1485 18.1485 18.2000 18.2000 20.1698 20.1698 20.1917 20.1917 40.7781 40.7781 k = 0.0000 0.0000 0.0314 ( 959 PWs) bands (ev): -52.4422 -52.4422 -23.9828 -23.9828 -22.9827 -22.9827 -22.9792 -22.9792 11.3260 11.3260 18.1306 18.1306 18.1462 18.1462 18.1937 18.1937 20.1770 20.1770 20.1911 20.1911 40.8165 40.8165 k = 0.0000 0.0000 0.0236 ( 959 PWs) bands (ev): -52.4428 -52.4428 -23.9817 -23.9817 -22.9808 -22.9808 -22.9788 -22.9788 11.3136 11.3136 18.1339 18.1339 18.1432 18.1432 18.1901 18.1901 20.1826 20.1826 20.1906 20.1906 40.8465 40.8465 k = 0.0000 0.0000 0.0157 ( 959 PWs) bands (ev): -52.4432 -52.4432 -23.9809 -23.9809 -22.9795 -22.9795 -22.9786 -22.9786 11.3047 11.3047 18.1361 18.1361 18.1404 18.1404 18.1885 18.1885 20.1867 20.1867 20.1903 20.1903 40.8680 40.8680 k = 0.0000 0.0000 0.0079 ( 959 PWs) bands (ev): -52.4434 -52.4434 -23.9805 -23.9805 -22.9786 -22.9786 -22.9784 -22.9784 11.2994 11.2994 18.1373 18.1373 18.1384 18.1384 18.1878 18.1878 20.1892 20.1892 20.1901 20.1901 40.8809 40.8809 k = 0.0000 0.0000 0.0000 ( 959 PWs) bands (ev): -52.4435 -52.4435 -23.9803 -23.9803 -22.9784 -22.9784 -22.9784 -22.9784 11.2976 11.2976 18.1377 18.1377 18.1377 18.1377 18.1876 18.1876 20.1900 20.1900 20.1900 20.1900 40.8852 40.8852 k = 0.0000 0.0000 0.0000 ( 959 PWs) bands (ev): -52.4435 -52.4435 -23.9803 -23.9803 -22.9784 -22.9784 -22.9784 -22.9784 11.2976 11.2976 18.1377 18.1377 18.1377 18.1377 18.1876 18.1876 20.1900 20.1900 20.1900 20.1900 40.8852 40.8852 k = 0.0026 0.0037 0.0064 ( 959 PWs) bands (ev): -52.4434 -52.4434 -23.9805 -23.9805 -22.9787 -22.9787 -22.9784 -22.9784 11.2994 11.2994 18.1373 18.1373 18.1385 18.1385 18.1878 18.1878 20.1896 20.1896 20.1897 20.1897 40.8827 40.8827 k = 0.0053 0.0074 0.0129 ( 959 PWs) bands (ev): -52.4432 -52.4432 -23.9809 -23.9809 -22.9795 -22.9795 -22.9785 -22.9785 11.3048 11.3048 18.1358 18.1358 18.1406 18.1406 18.1885 18.1885 20.1884 20.1884 20.1886 20.1886 40.8752 40.8753 k = 0.0079 0.0112 0.0193 ( 959 PWs) bands (ev): -52.4428 -52.4428 -23.9817 -23.9817 -22.9810 -22.9810 -22.9787 -22.9787 11.3138 11.3138 18.1334 18.1334 18.1433 18.1433 18.1906 18.1906 20.1864 20.1864 20.1868 20.1868 40.8626 40.8628 k = 0.0105 0.0149 0.0258 ( 959 PWs) bands (ev): -52.4422 -52.4422 -23.9828 -23.9828 -22.9830 -22.9830 -22.9790 -22.9790 11.3263 11.3263 18.1300 18.1300 18.1454 18.1454 18.1951 18.1951 20.1837 20.1837 20.1843 20.1843 40.8448 40.8453 k = 0.0132 0.0186 0.0322 ( 959 PWs) bands (ev): -52.4415 -52.4415 -23.9842 -23.9842 -22.9856 -22.9856 -22.9794 -22.9794 11.3424 11.3424 18.1257 18.1257 18.1455 18.1455 18.2034 18.2034 20.1802 20.1802 20.1812 20.1812 40.8218 40.8221 k = 0.0158 0.0223 0.0387 ( 959 PWs) bands (ev): -52.4406 -52.4406 -23.9859 -23.9859 -22.9887 -22.9887 -22.9798 -22.9798 11.3621 11.3621 18.1203 18.1203 18.1433 18.1433 18.2160 18.2160 20.1760 20.1760 20.1774 20.1774 40.7932 40.7936 k = 0.0184 0.0261 0.0451 ( 959 PWs) bands (ev): -52.4395 -52.4395 -23.9879 -23.9879 -22.9924 -22.9924 -22.9804 -22.9804 11.3853 11.3853 18.1139 18.1139 18.1388 18.1388 18.2326 18.2326 20.1712 20.1712 20.1731 20.1731 40.7595 40.7604 k = 0.0211 0.0298 0.0516 ( 959 PWs) bands (ev): -52.4383 -52.4383 -23.9902 -23.9902 -22.9967 -22.9967 -22.9810 -22.9810 11.4119 11.4119 18.1065 18.1065 18.1324 18.1324 18.2529 18.2529 20.1658 20.1658 20.1684 20.1684 40.7189 40.7204 k = 0.0237 0.0335 0.0580 ( 959 PWs) bands (ev): -52.4369 -52.4369 -23.9929 -23.9929 -23.0014 -23.0014 -22.9817 -22.9817 11.4421 11.4421 18.0980 18.0980 18.1245 18.1245 18.2765 18.2765 20.1600 20.1600 20.1632 20.1632 40.6731 40.6754 k = 0.0263 0.0372 0.0645 ( 959 PWs) bands (ev): -52.4354 -52.4354 -23.9958 -23.9958 -23.0066 -23.0066 -22.9824 -22.9824 11.4756 11.4756 18.0884 18.0884 18.1150 18.1150 18.3034 18.3034 20.1537 20.1537 20.1576 20.1576 40.6202 40.6237 k = 0.0289 0.0409 0.0709 ( 959 PWs) bands (ev): -52.4337 -52.4337 -23.9991 -23.9991 -23.0124 -23.0124 -22.9833 -22.9833 11.5126 11.5126 18.0778 18.0778 18.1042 18.1042 18.3334 18.3334 20.1471 20.1471 20.1518 20.1518 40.5616 40.5616 k = 0.0316 0.0447 0.0774 ( 959 PWs) bands (ev): -52.4319 -52.4319 -24.0027 -24.0027 -23.0185 -23.0185 -22.9843 -22.9843 11.5529 11.5529 18.0660 18.0660 18.0921 18.0921 18.3664 18.3664 20.1402 20.1402 20.1457 20.1457 40.4965 40.4966 k = 0.0342 0.0484 0.0838 ( 959 PWs) bands (ev): -52.4299 -52.4299 -24.0065 -24.0065 -23.0252 -23.0252 -22.9853 -22.9853 11.5966 11.5966 18.0530 18.0530 18.0787 18.0787 18.4023 18.4023 20.1331 20.1331 20.1396 20.1396 40.4250 40.4250 k = 0.0368 0.0521 0.0902 ( 959 PWs) bands (ev): -52.4278 -52.4278 -24.0107 -24.0107 -23.0322 -23.0322 -22.9864 -22.9864 11.6435 11.6435 18.0389 18.0389 18.0640 18.0640 18.4411 18.4411 20.1260 20.1260 20.1334 20.1334 40.3469 40.3469 k = 0.0395 0.0558 0.0967 ( 971 PWs) bands (ev): -52.4303 -52.4303 -24.0160 -24.0160 -23.0410 -23.0410 -22.9879 -22.9879 11.6925 11.6925 18.0181 18.0181 18.0421 18.0421 18.4616 18.4616 20.1090 20.1090 20.1177 20.1177 40.2588 40.2588 k = 0.0421 0.0595 0.1031 ( 971 PWs) bands (ev): -52.4280 -52.4280 -24.0209 -24.0209 -23.0488 -23.0488 -22.9893 -22.9893 11.7457 11.7457 18.0014 18.0014 18.0246 18.0246 18.5056 18.5056 20.1019 20.1019 20.1117 20.1117 40.1673 40.1673 k = 0.0447 0.0633 0.1096 ( 971 PWs) bands (ev): -52.4256 -52.4256 -24.0260 -24.0260 -23.0570 -23.0570 -22.9907 -22.9907 11.8021 11.8021 17.9835 17.9835 18.0058 18.0058 18.5525 18.5525 20.0950 20.0950 20.1059 20.1059 40.0695 40.0695 k = 0.0474 0.0670 0.1160 ( 977 PWs) bands (ev): -52.4254 -52.4254 -24.0318 -24.0318 -23.0660 -23.0660 -22.9925 -22.9925 11.8609 11.8609 17.9555 17.9555 17.9768 17.9768 18.6001 18.6001 20.0858 20.0858 20.0980 20.0980 39.9619 39.9619 k = 0.0500 0.0707 0.1225 ( 977 PWs) bands (ev): -52.4227 -52.4227 -24.0376 -24.0376 -23.0748 -23.0748 -22.9941 -22.9941 11.9233 11.9233 17.9349 17.9349 17.9553 17.9553 18.6525 18.6525 20.0796 20.0796 20.0930 20.0930 39.8517 39.8517 k = 0.0526 0.0744 0.1289 ( 977 PWs) bands (ev): -52.4200 -52.4200 -24.0436 -24.0436 -23.0839 -23.0839 -22.9958 -22.9958 11.9885 11.9885 17.9131 17.9131 17.9325 17.9325 18.7077 18.7077 20.0739 20.0739 20.0885 20.0885 39.7357 39.7357 k = 0.0553 0.0782 0.1354 ( 971 PWs) bands (ev): -52.4148 -52.4148 -24.0496 -24.0496 -23.0926 -23.0926 -22.9973 -22.9973 12.0576 12.0576 17.8937 17.8937 17.9123 17.9123 18.7692 18.7692 20.0761 20.0761 20.0918 20.0918 39.6188 39.6188 k = 0.0579 0.0819 0.1418 ( 971 PWs) bands (ev): -52.4118 -52.4118 -24.0562 -24.0562 -23.1021 -23.1021 -22.9992 -22.9992 12.1285 12.1285 17.8695 17.8695 17.8870 17.8870 18.8298 18.8298 20.0712 20.0712 20.0882 20.0882 39.4924 39.4924 k = 0.0605 0.0856 0.1483 ( 977 PWs) bands (ev): -52.4111 -52.4111 -24.0635 -24.0635 -23.1122 -23.1122 -23.0016 -23.0016 12.2016 12.2016 17.8373 17.8373 17.8537 17.8537 18.8931 18.8931 20.0610 20.0610 20.0793 20.0793 39.3573 39.3573 k = 0.0632 0.0893 0.1547 ( 977 PWs) bands (ev): -52.4080 -52.4080 -24.0707 -24.0707 -23.1221 -23.1221 -23.0037 -23.0037 12.2778 12.2778 17.8107 17.8107 17.8261 17.8261 18.9591 18.9591 20.0574 20.0574 20.0770 20.0770 39.2214 39.2214 k = 0.0658 0.0930 0.1612 ( 977 PWs) bands (ev): -52.4048 -52.4048 -24.0781 -24.0781 -23.1321 -23.1321 -23.0059 -23.0059 12.3565 12.3565 17.7830 17.7830 17.7974 17.7974 19.0277 19.0277 20.0546 20.0546 20.0753 20.0753 39.0814 39.0814 k = 0.0684 0.0968 0.1676 ( 977 PWs) bands (ev): -52.4015 -52.4015 -24.0858 -24.0858 -23.1422 -23.1422 -23.0083 -23.0083 12.4376 12.4376 17.7543 17.7543 17.7676 17.7676 19.0990 19.0990 20.0525 20.0525 20.0745 20.0745 38.9376 38.9376 k = 0.0711 0.1005 0.1740 ( 977 PWs) bands (ev): -52.3982 -52.3982 -24.0938 -24.0938 -23.1523 -23.1523 -23.0107 -23.0107 12.5211 12.5211 17.7247 17.7247 17.7369 17.7369 19.1728 19.1728 20.0512 20.0512 20.0744 20.0744 38.7904 38.7904 k = 0.0737 0.1042 0.1805 ( 977 PWs) bands (ev): -52.3947 -52.3947 -24.1020 -24.1020 -23.1626 -23.1626 -23.0132 -23.0132 12.6068 12.6068 17.6941 17.6941 17.7054 17.7054 19.2492 19.2492 20.0507 20.0507 20.0752 20.0752 38.6401 38.6401 k = 0.0763 0.1079 0.1869 ( 977 PWs) bands (ev): -52.3912 -52.3912 -24.1104 -24.1104 -23.1729 -23.1729 -23.0159 -23.0159 12.6947 12.6947 17.6627 17.6627 17.6730 17.6730 19.3282 19.3282 20.0511 20.0511 20.0767 20.0767 38.4869 38.4869 k = 0.0789 0.1116 0.1934 ( 983 PWs) bands (ev): -52.3900 -52.3900 -24.1193 -24.1193 -23.1835 -23.1835 -23.0192 -23.0192 12.7844 12.7844 17.6252 17.6252 17.6346 17.6346 19.4080 19.4080 20.0454 20.0454 20.0722 20.0722 38.3284 38.3284 k = 0.0816 0.1154 0.1998 ( 983 PWs) bands (ev): -52.3863 -52.3863 -24.1281 -24.1281 -23.1938 -23.1938 -23.0220 -23.0220 12.8764 12.8764 17.5924 17.5924 17.6008 17.6008 19.4918 19.4918 20.0473 20.0473 20.0753 20.0753 38.1705 38.1705 k = 0.0842 0.1191 0.2063 ( 983 PWs) bands (ev): -52.3826 -52.3826 -24.1371 -24.1371 -23.2041 -23.2041 -23.0250 -23.0250 12.9702 12.9702 17.5589 17.5589 17.5664 17.5664 19.5780 19.5780 20.0500 20.0500 20.0792 20.0792 38.0107 38.0107 k = 0.0868 0.1228 0.2127 ( 977 PWs) bands (ev): -52.3766 -52.3766 -24.1457 -24.1457 -23.2137 -23.2137 -23.0281 -23.0281 13.0678 13.0678 17.5270 17.5270 17.5337 17.5337 19.6824 19.6824 20.0557 20.0557 20.0862 20.0862 37.8524 37.8524 k = 0.0895 0.1265 0.2192 ( 977 PWs) bands (ev): -52.3728 -52.3728 -24.1550 -24.1550 -23.2239 -23.2239 -23.0313 -23.0313 13.1651 13.1651 17.4926 17.4926 17.4984 17.4984 19.7728 19.7728 20.0599 20.0599 20.0918 20.0918 37.6895 37.6895 k = 0.0921 0.1303 0.2256 ( 977 PWs) bands (ev): -52.3691 -52.3691 -24.1643 -24.1643 -23.2340 -23.2340 -23.0347 -23.0347 13.2640 13.2640 17.4578 17.4578 17.4628 17.4628 19.8652 19.8652 20.0649 20.0649 20.0986 20.0986 37.5255 37.5255 k = 0.0947 0.1340 0.2321 ( 977 PWs) bands (ev): -52.3653 -52.3653 -24.1738 -24.1738 -23.2440 -23.2440 -23.0381 -23.0381 13.3642 13.3642 17.4228 17.4228 17.4269 17.4269 19.9588 19.9588 20.0706 20.0706 20.1072 20.1072 37.3605 37.3605 k = 0.0974 0.1377 0.2385 ( 977 PWs) bands (ev): -52.3614 -52.3614 -24.1833 -24.1833 -23.2539 -23.2539 -23.0417 -23.0417 13.4658 13.4658 17.3876 17.3876 17.3910 17.3910 20.0493 20.0493 20.0770 20.0770 20.1219 20.1219 37.1948 37.1948 k = 0.1000 0.1414 0.2449 ( 977 PWs) bands (ev): -52.3576 -52.3576 -24.1928 -24.1928 -23.2637 -23.2637 -23.0454 -23.0454 13.5686 13.5686 17.3523 17.3523 17.3549 17.3549 20.0841 20.0841 20.1037 20.1037 20.1755 20.1755 37.0285 37.0285 k = 0.1026 0.1451 0.2514 ( 977 PWs) bands (ev): -52.3537 -52.3537 -24.2024 -24.2024 -23.2734 -23.2734 -23.0493 -23.0493 13.6725 13.6725 17.3171 17.3171 17.3189 17.3189 20.0919 20.0919 20.1199 20.1199 20.2702 20.2702 36.8618 36.8618 k = 0.1053 0.1489 0.2578 ( 977 PWs) bands (ev): -52.3499 -52.3499 -24.2120 -24.2120 -23.2829 -23.2829 -23.0533 -23.0533 13.7773 13.7773 17.2819 17.2819 17.2831 17.2831 20.1003 20.1003 20.1310 20.1310 20.3727 20.3727 36.6950 36.6950 k = 0.1079 0.1526 0.2643 ( 980 PWs) bands (ev): -52.3471 -52.3471 -24.2219 -24.2219 -23.2926 -23.2926 -23.0574 -23.0574 13.8820 13.8820 17.2468 17.2468 17.2473 17.2473 20.1092 20.1092 20.1413 20.1413 20.4653 20.4653 36.5279 36.5279 k = 0.1105 0.1563 0.2707 ( 980 PWs) bands (ev): -52.3433 -52.3433 -24.2314 -24.2314 -23.3018 -23.3018 -23.0616 -23.0616 13.9883 13.9883 17.2119 17.2119 17.2121 17.2121 20.1186 20.1186 20.1519 20.1519 20.5734 20.5734 36.3609 36.3609 k = 0.1132 0.1600 0.2772 ( 980 PWs) bands (ev): -52.3394 -52.3394 -24.2408 -24.2408 -23.3109 -23.3109 -23.0659 -23.0659 14.0950 14.0950 17.1769 17.1769 17.1777 17.1777 20.1286 20.1286 20.1627 20.1627 20.6837 20.6837 36.1942 36.1942 k = 0.1158 0.1638 0.2836 ( 980 PWs) bands (ev): -52.3356 -52.3356 -24.2502 -24.2502 -23.3198 -23.3198 -23.0704 -23.0704 14.2022 14.2022 17.1423 17.1423 17.1437 17.1437 20.1391 20.1391 20.1738 20.1738 20.7962 20.7962 36.0278 36.0278 k = 0.1184 0.1675 0.2901 ( 980 PWs) bands (ev): -52.3318 -52.3318 -24.2594 -24.2594 -23.3285 -23.3285 -23.0750 -23.0750 14.3096 14.3096 17.1083 17.1083 17.1103 17.1103 20.1500 20.1500 20.1853 20.1853 20.9108 20.9108 35.8618 35.8618 k = 0.1211 0.1712 0.2965 ( 980 PWs) bands (ev): -52.3280 -52.3280 -24.2685 -24.2685 -23.3371 -23.3371 -23.0797 -23.0797 14.4172 14.4172 17.0749 17.0749 17.0774 17.0774 20.1612 20.1612 20.1970 20.1970 21.0275 21.0275 35.6964 35.6964 k = 0.1237 0.1749 0.3030 ( 980 PWs) bands (ev): -52.3242 -52.3242 -24.2774 -24.2774 -23.3455 -23.3455 -23.0846 -23.0846 14.5247 14.5247 17.0421 17.0421 17.0451 17.0451 20.1728 20.1728 20.2090 20.2090 21.1462 21.1462 35.5315 35.5315 k = 0.1263 0.1786 0.3094 ( 971 PWs) bands (ev): -52.3170 -52.3170 -24.2856 -24.2856 -23.3531 -23.3531 -23.0889 -23.0889 14.6360 14.6360 17.0162 17.0162 17.0199 17.0199 20.1885 20.1885 20.2251 20.2251 21.2796 21.2796 35.3763 35.3763 k = 0.1289 0.1824 0.3159 ( 971 PWs) bands (ev): -52.3134 -52.3134 -24.2941 -24.2941 -23.3611 -23.3611 -23.0941 -23.0941 14.7430 14.7430 16.9846 16.9846 16.9887 16.9887 20.2004 20.2004 20.2372 20.2372 21.4016 21.4016 35.2127 35.2127 k = 0.1316 0.1861 0.3223 ( 971 PWs) bands (ev): -52.3100 -52.3100 -24.3023 -24.3023 -23.3689 -23.3689 -23.0993 -23.0993 14.8495 14.8495 16.9538 16.9538 16.9584 16.9584 20.2125 20.2125 20.2496 20.2496 21.5256 21.5256 35.0500 35.0500 k = 0.1342 0.1898 0.3287 ( 971 PWs) bands (ev): -52.3065 -52.3065 -24.3104 -24.3104 -23.3766 -23.3766 -23.1046 -23.1046 14.9553 14.9553 16.9239 16.9239 16.9290 16.9290 20.2248 20.2248 20.2621 20.2621 21.6515 21.6515 34.8881 34.8881 k = 0.1368 0.1935 0.3352 ( 971 PWs) bands (ev): -52.3031 -52.3031 -24.3181 -24.3181 -23.3840 -23.3840 -23.1101 -23.1101 15.0602 15.0602 16.8950 16.8950 16.9005 16.9005 20.2373 20.2373 20.2747 20.2747 21.7793 21.7793 34.7272 34.7272 k = 0.1395 0.1972 0.3416 ( 971 PWs) bands (ev): -52.2998 -52.2998 -24.3255 -24.3255 -23.3912 -23.3912 -23.1157 -23.1157 15.1641 15.1641 16.8670 16.8670 16.8730 16.8730 20.2499 20.2499 20.2873 20.2873 21.9090 21.9090 34.5674 34.5674 k = 0.1421 0.2010 0.3481 ( 971 PWs) bands (ev): -52.2965 -52.2965 -24.3327 -24.3327 -23.3982 -23.3982 -23.1215 -23.1215 15.2668 15.2668 16.8401 16.8401 16.8465 16.8465 20.2626 20.2626 20.3001 20.3001 22.0407 22.0407 34.4086 34.4086 k = 0.1447 0.2047 0.3545 ( 974 PWs) bands (ev): -52.2945 -52.2945 -24.3398 -24.3398 -23.4053 -23.4053 -23.1273 -23.1273 15.3663 15.3663 16.8140 16.8140 16.8208 16.8208 20.2749 20.2749 20.3124 20.3124 22.1614 22.1614 34.2505 34.2505 k = 0.1474 0.2084 0.3610 ( 974 PWs) bands (ev): -52.2914 -52.2914 -24.3463 -24.3463 -23.4119 -23.4119 -23.1333 -23.1333 15.4659 15.4659 16.7893 16.7893 16.7965 16.7965 20.2877 20.2877 20.3251 20.3251 22.2965 22.2965 34.0940 34.0940 k = 0.1500 0.2121 0.3674 ( 968 PWs) bands (ev): -52.2860 -52.2860 -24.3520 -24.3520 -23.4178 -23.4178 -23.1391 -23.1391 15.5667 15.5667 16.7679 16.7679 16.7753 16.7753 20.3080 20.3080 20.3452 20.3452 22.4385 22.4385 33.9430 33.9430 k = 0.1526 0.2159 0.3739 ( 977 PWs) bands (ev): -52.2866 -52.2866 -24.3584 -24.3584 -23.4246 -23.4246 -23.1458 -23.1458 15.6620 15.6620 16.7376 16.7376 16.7455 16.7455 20.3112 20.3112 20.3483 20.3483 22.5760 22.5760 33.7808 33.7808 k = 0.1553 0.2196 0.3803 ( 977 PWs) bands (ev): -52.2838 -52.2838 -24.3638 -24.3638 -23.4305 -23.4305 -23.1521 -23.1521 15.7557 15.7557 16.7164 16.7164 16.7246 16.7246 20.3236 20.3236 20.3606 20.3606 22.7168 22.7168 33.6278 33.6278 k = 0.1579 0.2233 0.3868 ( 977 PWs) bands (ev): -52.2810 -52.2810 -24.3688 -24.3688 -23.4361 -23.4361 -23.1585 -23.1585 15.8472 15.8472 16.6963 16.6963 16.7049 16.7049 20.3359 20.3359 20.3726 20.3726 22.8595 22.8595 33.4761 33.4761 k = 0.1605 0.2270 0.3932 ( 977 PWs) bands (ev): -52.2784 -52.2784 -24.3735 -24.3735 -23.4416 -23.4416 -23.1650 -23.1650 15.9361 15.9361 16.6776 16.6776 16.6865 16.6865 20.3481 20.3481 20.3846 20.3846 23.0043 23.0043 33.3257 33.3257 k = 0.1632 0.2307 0.3997 ( 977 PWs) bands (ev): -52.2758 -52.2758 -24.3778 -24.3778 -23.4467 -23.4467 -23.1716 -23.1716 16.0224 16.0224 16.6601 16.6601 16.6693 16.6693 20.3602 20.3602 20.3964 20.3964 23.1510 23.1510 33.1766 33.1766 k = 0.1658 0.2345 0.4061 ( 977 PWs) bands (ev): -52.2733 -52.2733 -24.3818 -24.3818 -23.4516 -23.4516 -23.1783 -23.1783 16.1058 16.1058 16.6439 16.6439 16.6535 16.6535 20.3722 20.3722 20.4079 20.4079 23.2999 23.2999 33.0290 33.0290 k = 0.1684 0.2382 0.4125 ( 977 PWs) bands (ev): -52.2709 -52.2709 -24.3853 -24.3853 -23.4562 -23.4562 -23.1851 -23.1851 16.1861 16.1861 16.6290 16.6290 16.6389 16.6389 20.3840 20.3840 20.4193 20.4193 23.4508 23.4508 32.8827 32.8827 k = 0.1711 0.2419 0.4190 ( 977 PWs) bands (ev): -52.2686 -52.2686 -24.3885 -24.3885 -23.4606 -23.4606 -23.1920 -23.1920 16.2632 16.2632 16.6154 16.6154 16.6256 16.6256 20.3956 20.3956 20.4305 20.4305 23.6038 23.6038 32.7379 32.7379 k = 0.1737 0.2456 0.4254 ( 977 PWs) bands (ev): -52.2664 -52.2664 -24.3914 -24.3914 -23.4646 -23.4646 -23.1990 -23.1990 16.3369 16.3369 16.6032 16.6032 16.6137 16.6137 20.4070 20.4070 20.4414 20.4414 23.7590 23.7590 32.5945 32.5945 k = 0.1763 0.2493 0.4319 ( 977 PWs) bands (ev): -52.2642 -52.2642 -24.3939 -24.3939 -23.4684 -23.4684 -23.2061 -23.2061 16.4071 16.4071 16.5923 16.5923 16.6030 16.6030 20.4182 20.4182 20.4520 20.4520 23.9164 23.9164 32.4525 32.4525 k = 0.1789 0.2531 0.4383 ( 977 PWs) bands (ev): -52.2622 -52.2622 -24.3960 -24.3960 -23.4719 -23.4719 -23.2132 -23.2132 16.4735 16.4735 16.5828 16.5828 16.5937 16.5937 20.4291 20.4291 20.4624 20.4624 24.0760 24.0760 32.3120 32.3120 k = 0.1816 0.2568 0.4448 ( 968 PWs) bands (ev): -52.2566 -52.2566 -24.3972 -24.3972 -23.4743 -23.4743 -23.2199 -23.2199 16.5377 16.5377 16.5815 16.5815 16.5921 16.5921 20.4492 20.4492 20.4817 20.4817 24.2383 24.2383 32.1840 32.1840 k = 0.1842 0.2605 0.4512 ( 974 PWs) bands (ev): -52.2572 -52.2572 -24.3994 -24.3994 -23.4777 -23.4777 -23.2273 -23.2273 16.5708 16.5708 16.5839 16.5839 16.5917 16.5917 20.4585 20.4585 20.4903 20.4903 24.3801 24.3801 32.0448 32.0448 k = 0.1868 0.2642 0.4577 ( 974 PWs) bands (ev): -52.2556 -52.2556 -24.4005 -24.4005 -23.4802 -23.4802 -23.2346 -23.2346 16.5661 16.5661 16.5782 16.5782 16.6448 16.6448 20.4685 20.4685 20.4996 20.4996 24.5464 24.5464 31.9086 31.9086 k = 0.1895 0.2680 0.4641 ( 974 PWs) bands (ev): -52.2540 -52.2540 -24.4015 -24.4015 -23.4823 -23.4823 -23.2421 -23.2421 16.5616 16.5616 16.5739 16.5739 16.6946 16.6946 20.4783 20.4783 20.5086 20.5086 24.7151 24.7151 31.7738 31.7738 k = 0.1921 0.2717 0.4706 ( 974 PWs) bands (ev): -52.2524 -52.2524 -24.4021 -24.4021 -23.4841 -23.4841 -23.2495 -23.2495 16.5584 16.5584 16.5708 16.5708 16.7403 16.7403 20.4877 20.4877 20.5172 20.5172 24.8863 24.8863 31.6407 31.6407 k = 0.1947 0.2754 0.4770 ( 968 PWs) bands (ev): -52.2487 -52.2487 -24.4020 -24.4020 -23.4850 -23.4850 -23.2569 -23.2569 16.5602 16.5602 16.5727 16.5727 16.7869 16.7869 20.4999 20.4999 20.5285 20.5285 25.0649 25.0649 31.5155 31.5155 k = 0.1974 0.2791 0.4835 ( 974 PWs) bands (ev): -52.2497 -52.2497 -24.4025 -24.4025 -23.4864 -23.4864 -23.2649 -23.2649 16.5582 16.5582 16.5709 16.5709 16.8239 16.8239 20.4955 20.4955 20.5233 20.5233 25.2404 25.2404 31.3842 31.3842 k = 0.2000 0.2828 0.4899 ( 974 PWs) bands (ev): -52.2485 -52.2485 -24.4025 -24.4025 -23.4870 -23.4870 -23.2725 -23.2725 16.5585 16.5585 16.5714 16.5714 16.8566 16.8566 20.5038 20.5038 20.5306 20.5306 25.4189 25.4189 31.2556 31.2556 k = 0.2026 0.2866 0.4963 ( 968 PWs) bands (ev): -52.2451 -52.2451 -24.4017 -24.4017 -23.4866 -23.4866 -23.2802 -23.2802 16.5604 16.5604 16.5735 16.5735 16.8984 16.8984 20.5124 20.5124 20.5383 20.5383 25.6173 25.6173 31.1293 31.1293 k = 0.2053 0.2903 0.5028 ( 968 PWs) bands (ev): -52.2441 -52.2441 -24.4014 -24.4014 -23.4864 -23.4864 -23.2879 -23.2879 16.5631 16.5631 16.5763 16.5763 16.9223 16.9223 20.5201 20.5201 20.5448 20.5448 25.8002 25.8002 31.0038 31.0038 k = 0.2079 0.2940 0.5092 ( 968 PWs) bands (ev): -52.2432 -52.2432 -24.4008 -24.4008 -23.4858 -23.4858 -23.2956 -23.2956 16.5670 16.5670 16.5803 16.5803 16.9417 16.9417 20.5274 20.5274 20.5511 20.5511 25.9856 25.9856 30.8800 30.8800 k = 0.2105 0.2977 0.5157 ( 974 PWs) bands (ev): -52.2448 -52.2448 -24.4006 -24.4006 -23.4852 -23.4852 -23.3037 -23.3037 16.5701 16.5701 16.5836 16.5836 16.9566 16.9566 20.5217 20.5217 20.5442 20.5442 26.1733 26.1733 30.7561 30.7561 k = 0.2132 0.3015 0.5221 ( 974 PWs) bands (ev): -52.2441 -52.2441 -24.3998 -24.3998 -23.4837 -23.4837 -23.3114 -23.3114 16.5762 16.5762 16.5898 16.5898 16.9675 16.9675 20.5280 20.5280 20.5493 20.5493 26.3638 26.3638 30.6357 30.6357 k = 0.2158 0.3052 0.5286 ( 974 PWs) bands (ev): -52.2434 -52.2434 -24.3990 -24.3990 -23.4818 -23.4818 -23.3192 -23.3192 16.5833 16.5833 16.5969 16.5969 16.9743 16.9743 20.5339 20.5339 20.5541 20.5541 26.5567 26.5567 30.5169 30.5169 k = 0.2184 0.3089 0.5350 ( 974 PWs) bands (ev): -52.2428 -52.2428 -24.3982 -24.3982 -23.4794 -23.4794 -23.3269 -23.3269 16.5914 16.5914 16.6051 16.6051 16.9770 16.9770 20.5395 20.5395 20.5584 20.5584 26.7521 26.7521 30.3999 30.3999 k = 0.2211 0.3126 0.5415 ( 974 PWs) bands (ev): -52.2423 -52.2423 -24.3973 -24.3973 -23.4766 -23.4766 -23.3347 -23.3347 16.6004 16.6004 16.6142 16.6142 16.9759 16.9759 20.5448 20.5448 20.5623 20.5623 26.9497 26.9497 30.2845 30.2845 k = 0.2237 0.3163 0.5479 ( 974 PWs) bands (ev): -52.2418 -52.2418 -24.3964 -24.3964 -23.4733 -23.4733 -23.3424 -23.3424 16.6104 16.6104 16.6242 16.6242 16.9710 16.9710 20.5497 20.5497 20.5658 20.5658 27.1494 27.1494 30.1710 30.1710 k = 0.2263 0.3201 0.5544 ( 968 PWs) bands (ev): -52.2390 -52.2390 -24.3952 -24.3952 -23.4693 -23.4693 -23.3496 -23.3496 16.6255 16.6255 16.6393 16.6393 16.9631 16.9631 20.5589 20.5589 20.5736 20.5736 27.3539 27.3539 30.0674 30.0674 k = 0.2289 0.3238 0.5608 ( 968 PWs) bands (ev): -52.2386 -52.2386 -24.3944 -24.3944 -23.4652 -23.4652 -23.3574 -23.3574 16.6371 16.6371 16.6509 16.6509 16.9513 16.9513 20.5630 20.5630 20.5762 20.5762 27.5572 27.5572 29.9574 29.9574 k = 0.2316 0.3275 0.5673 ( 956 PWs) bands (ev): -52.2337 -52.2337 -24.3929 -24.3929 -23.4598 -23.4598 -23.3642 -23.3642 16.6559 16.6559 16.6696 16.6696 16.9364 16.9364 20.5828 20.5828 20.5945 20.5945 27.7628 27.7628 29.8616 29.8616 k = 0.2342 0.3312 0.5737 ( 956 PWs) bands (ev): -52.2335 -52.2335 -24.3922 -24.3922 -23.4549 -23.4549 -23.3718 -23.3718 16.6688 16.6688 16.6825 16.6825 16.9185 16.9185 20.5860 20.5860 20.5962 20.5962 27.9685 27.9685 29.7552 29.7552 k = 0.2368 0.3349 0.5801 ( 956 PWs) bands (ev): -52.2333 -52.2333 -24.3916 -24.3916 -23.4495 -23.4495 -23.3794 -23.3794 16.6823 16.6823 16.6960 16.6960 16.8978 16.8978 20.5889 20.5889 20.5975 20.5975 28.1747 28.1747 29.6508 29.6508 k = 0.2395 0.3387 0.5866 ( 953 PWs) bands (ev): -52.2320 -52.2320 -24.3908 -24.3908 -23.4434 -23.4434 -23.3869 -23.3869 16.6979 16.6979 16.7115 16.7115 16.8777 16.8777 20.5930 20.5930 20.5999 20.5999 28.3831 28.3831 29.5512 29.5512 k = 0.2421 0.3424 0.5930 ( 952 PWs) bands (ev): -52.2316 -52.2316 -24.3903 -24.3903 -23.4371 -23.4371 -23.3945 -23.3945 16.7124 16.7124 16.7260 16.7260 16.8548 16.8548 20.5952 20.5952 20.6005 20.6005 28.5904 28.5904 29.4508 29.4508 k = 0.2447 0.3461 0.5995 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3900 -24.3900 -23.4306 -23.4306 -23.4019 -23.4019 16.7273 16.7273 16.7409 16.7409 16.8272 16.8272 20.5970 20.5970 20.6006 20.6006 28.7922 28.7922 29.3530 29.3530 k = 0.2474 0.3498 0.6059 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4238 -23.4238 -23.4093 -23.4093 16.7422 16.7422 16.7563 16.7563 16.7983 16.7983 20.5985 20.5985 20.6003 20.6003 28.9883 28.9883 29.2588 29.2588 k = 0.2500 0.3536 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4167 -23.4167 -23.4167 -23.4167 16.7533 16.7533 16.7720 16.7720 16.7720 16.7720 20.5996 20.5996 20.5996 20.5996 29.1351 29.1351 29.2095 29.2095 k = 0.2500 0.3536 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4167 -23.4167 -23.4167 -23.4167 16.7533 16.7533 16.7720 16.7720 16.7720 16.7720 20.5996 20.5996 20.5996 20.5996 29.1351 29.1351 29.2095 29.2095 k = 0.2526 0.3461 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4239 -23.4239 -23.4092 -23.4092 16.7315 16.7315 16.7775 16.7775 16.7879 16.7879 20.5985 20.5985 20.6003 20.6003 29.0636 29.0636 29.1162 29.1162 k = 0.2553 0.3387 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3900 -24.3900 -23.4311 -23.4311 -23.4015 -23.4015 16.6988 16.6988 16.7929 16.7929 16.8040 16.8040 20.5970 20.5970 20.6006 20.6006 28.9755 28.9755 29.0252 29.0252 k = 0.2579 0.3312 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3904 -24.3904 -23.4382 -23.4382 -23.3936 -23.3936 16.6647 16.6647 16.8092 16.8092 16.8202 16.8202 20.5951 20.5951 20.6006 20.6006 28.8885 28.8885 28.9364 28.9364 k = 0.2605 0.3238 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3908 -24.3908 -23.4452 -23.4452 -23.3855 -23.3855 16.6299 16.6299 16.8256 16.8256 16.8365 16.8365 20.5928 20.5928 20.6002 20.6002 28.8036 28.8036 28.8501 28.8501 k = 0.2632 0.3163 0.6124 ( 958 PWs) bands (ev): -52.2340 -52.2340 -24.3918 -24.3918 -23.4522 -23.4522 -23.3780 -23.3780 16.5869 16.5869 16.8416 16.8416 16.8522 16.8522 20.5851 20.5851 20.5943 20.5943 28.7205 28.7205 28.7656 28.7656 k = 0.2658 0.3089 0.6124 ( 964 PWs) bands (ev): -52.2364 -52.2364 -24.3928 -24.3928 -23.4592 -23.4592 -23.3702 -23.3702 16.5495 16.5495 16.8558 16.8558 16.8661 16.8661 20.5727 20.5727 20.5838 20.5838 28.6377 28.6377 28.6817 28.6817 k = 0.2684 0.3015 0.6124 ( 964 PWs) bands (ev): -52.2365 -52.2365 -24.3937 -24.3937 -23.4659 -23.4659 -23.3616 -23.3616 16.5141 16.5141 16.8721 16.8721 16.8821 16.8821 20.5688 20.5688 20.5818 20.5818 28.5601 28.5601 28.6028 28.6028 k = 0.2711 0.2940 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3947 -24.3947 -23.4725 -23.4725 -23.3531 -23.3531 16.4789 16.4789 16.8882 16.8882 16.8978 16.8978 20.5645 20.5645 20.5794 20.5794 28.4850 28.4850 28.5266 28.5266 k = 0.2737 0.2866 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3958 -24.3958 -23.4790 -23.4790 -23.3445 -23.3445 16.4443 16.4443 16.9040 16.9040 16.9131 16.9131 20.5598 20.5598 20.5766 20.5766 28.4126 28.4126 28.4530 28.4530 k = 0.2763 0.2791 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3970 -24.3970 -23.4854 -23.4854 -23.3358 -23.3358 16.4106 16.4106 16.9193 16.9193 16.9280 16.9280 20.5548 20.5548 20.5735 20.5735 28.3428 28.3428 28.3822 28.3822 k = 0.2789 0.2717 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3983 -24.3983 -23.4916 -23.4916 -23.3273 -23.3273 16.3778 16.3778 16.9341 16.9341 16.9424 16.9424 20.5496 20.5496 20.5701 20.5701 28.2759 28.2759 28.3142 28.3142 k = 0.2816 0.2642 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3998 -24.3998 -23.4977 -23.4977 -23.3188 -23.3188 16.3462 16.3462 16.9484 16.9484 16.9561 16.9561 20.5440 20.5440 20.5663 20.5663 28.2117 28.2117 28.2490 28.2490 k = 0.2842 0.2568 0.6124 ( 970 PWs) bands (ev): -52.2388 -52.2388 -24.4016 -24.4016 -23.5042 -23.5042 -23.3106 -23.3106 16.3136 16.3136 16.9579 16.9579 16.9650 16.9650 20.5331 20.5331 20.5572 20.5572 28.1447 28.1447 28.1810 28.1810 k = 0.2868 0.2493 0.6124 ( 970 PWs) bands (ev): -52.2387 -52.2387 -24.4033 -24.4033 -23.5100 -23.5100 -23.3024 -23.3024 16.2849 16.2849 16.9706 16.9706 16.9772 16.9772 20.5271 20.5271 20.5530 20.5530 28.0863 28.0863 28.1216 28.1216 k = 0.2895 0.2419 0.6124 ( 964 PWs) bands (ev): -52.2362 -52.2362 -24.4046 -24.4046 -23.5154 -23.5154 -23.2937 -23.2937 16.2592 16.2592 16.9827 16.9827 16.9889 16.9889 20.5345 20.5345 20.5620 20.5620 28.0310 28.0310 28.0655 28.0655 k = 0.2921 0.2345 0.6124 ( 964 PWs) bands (ev): -52.2360 -52.2360 -24.4064 -24.4064 -23.5210 -23.5210 -23.2859 -23.2859 16.2341 16.2341 16.9935 16.9935 16.9992 16.9992 20.5278 20.5278 20.5570 20.5570 27.9786 27.9786 28.0122 28.0122 k = 0.2947 0.2270 0.6124 ( 964 PWs) bands (ev): -52.2358 -52.2358 -24.4082 -24.4082 -23.5264 -23.5264 -23.2783 -23.2783 16.2112 16.2112 17.0034 17.0034 17.0086 17.0086 20.5210 20.5210 20.5518 20.5518 27.9292 27.9292 27.9620 27.9620 k = 0.2974 0.2196 0.6124 ( 964 PWs) bands (ev): -52.2355 -52.2355 -24.4101 -24.4101 -23.5316 -23.5316 -23.2710 -23.2710 16.1905 16.1905 17.0120 17.0120 17.0167 17.0167 20.5142 20.5142 20.5464 20.5464 27.8829 27.8829 27.9150 27.9150 k = 0.3000 0.2121 0.6124 ( 964 PWs) bands (ev): -52.2352 -52.2352 -24.4120 -24.4120 -23.5367 -23.5367 -23.2639 -23.2639 16.1722 16.1722 17.0194 17.0194 17.0237 17.0237 20.5074 20.5074 20.5410 20.5410 27.8398 27.8398 27.8711 27.8711 k = 0.3026 0.2047 0.6124 ( 967 PWs) bands (ev): -52.2360 -52.2360 -24.4141 -24.4141 -23.5417 -23.5417 -23.2577 -23.2577 16.1531 16.1531 17.0252 17.0252 17.0289 17.0289 20.4977 20.4977 20.5327 20.5327 27.7993 27.7993 27.8301 27.8301 k = 0.3053 0.1972 0.6124 ( 967 PWs) bands (ev): -52.2356 -52.2356 -24.4161 -24.4161 -23.5465 -23.5465 -23.2513 -23.2513 16.1400 16.1400 17.0299 17.0299 17.0332 17.0332 20.4910 20.4910 20.5271 20.5271 27.7625 27.7625 27.7927 27.7927 k = 0.3079 0.1898 0.6124 ( 967 PWs) bands (ev): -52.2351 -52.2351 -24.4182 -24.4182 -23.5512 -23.5512 -23.2454 -23.2454 16.1296 16.1296 17.0330 17.0330 17.0359 17.0359 20.4844 20.4844 20.5217 20.5217 27.7289 27.7289 27.7587 27.7587 k = 0.3105 0.1824 0.6124 ( 967 PWs) bands (ev): -52.2346 -52.2346 -24.4202 -24.4202 -23.5556 -23.5556 -23.2399 -23.2399 16.1222 16.1222 17.0346 17.0346 17.0370 17.0370 20.4781 20.4781 20.5164 20.5164 27.6985 27.6985 27.7279 27.7279 k = 0.3132 0.1749 0.6124 ( 973 PWs) bands (ev): -52.2364 -52.2364 -24.4225 -24.4225 -23.5600 -23.5600 -23.2358 -23.2358 16.1163 16.1163 17.0358 17.0358 17.0379 17.0379 20.4577 20.4577 20.4968 20.4968 27.6707 27.6707 27.6998 27.6998 k = 0.3158 0.1675 0.6124 ( 973 PWs) bands (ev): -52.2358 -52.2358 -24.4246 -24.4246 -23.5641 -23.5641 -23.2311 -23.2311 16.1149 16.1149 17.0340 17.0340 17.0358 17.0358 20.4512 20.4512 20.4911 20.4911 27.6468 27.6468 27.6756 27.6756 k = 0.3184 0.1600 0.6124 ( 973 PWs) bands (ev): -52.2352 -52.2352 -24.4267 -24.4267 -23.5681 -23.5681 -23.2270 -23.2270 16.1167 16.1167 17.0305 17.0305 17.0319 17.0319 20.4452 20.4452 20.4857 20.4857 27.6260 27.6260 27.6546 27.6546 k = 0.3211 0.1526 0.6124 ( 973 PWs) bands (ev): -52.2344 -52.2344 -24.4288 -24.4288 -23.5719 -23.5719 -23.2233 -23.2233 16.1219 16.1219 17.0250 17.0250 17.0261 17.0261 20.4398 20.4398 20.4809 20.4809 27.6083 27.6083 27.6369 27.6369 k = 0.3237 0.1451 0.6124 ( 967 PWs) bands (ev): -52.2312 -52.2312 -24.4307 -24.4307 -23.5754 -23.5754 -23.2194 -23.2194 16.1371 16.1371 17.0178 17.0178 17.0187 17.0187 20.4426 20.4426 20.4840 20.4840 27.5941 27.5941 27.6228 27.6228 k = 0.3263 0.1377 0.6124 ( 967 PWs) bands (ev): -52.2303 -52.2303 -24.4328 -24.4328 -23.5789 -23.5789 -23.2167 -23.2167 16.1488 16.1488 17.0083 17.0083 17.0090 17.0090 20.4384 20.4384 20.4801 20.4801 27.5826 27.5826 27.6114 27.6114 k = 0.3289 0.1303 0.6124 ( 967 PWs) bands (ev): -52.2294 -52.2294 -24.4349 -24.4349 -23.5822 -23.5822 -23.2146 -23.2146 16.1641 16.1641 16.9967 16.9967 16.9972 16.9972 20.4351 20.4351 20.4768 20.4768 27.5740 27.5740 27.6031 27.6031 k = 0.3316 0.1228 0.6124 ( 967 PWs) bands (ev): -52.2284 -52.2284 -24.4370 -24.4370 -23.5854 -23.5854 -23.2131 -23.2131 16.1829 16.1829 16.9831 16.9831 16.9834 16.9834 20.4327 20.4327 20.4744 20.4744 27.5685 27.5685 27.5979 27.5979 k = 0.3342 0.1154 0.6124 ( 967 PWs) bands (ev): -52.2273 -52.2273 -24.4391 -24.4391 -23.5883 -23.5883 -23.2121 -23.2121 16.2053 16.2053 16.9672 16.9672 16.9675 16.9675 20.4313 20.4313 20.4728 20.4728 27.5658 27.5658 27.5957 27.5957 k = 0.3368 0.1079 0.6124 ( 967 PWs) bands (ev): -52.2261 -52.2261 -24.4411 -24.4411 -23.5912 -23.5912 -23.2116 -23.2116 16.2313 16.2313 16.9493 16.9493 16.9495 16.9495 20.4310 20.4310 20.4721 20.4721 27.5660 27.5660 27.5964 27.5964 k = 0.3395 0.1005 0.6124 ( 967 PWs) bands (ev): -52.2249 -52.2249 -24.4432 -24.4432 -23.5938 -23.5938 -23.2117 -23.2117 16.2611 16.2611 16.9291 16.9291 16.9293 16.9293 20.4318 20.4318 20.4724 20.4724 27.5690 27.5690 27.6000 27.6000 k = 0.3421 0.0930 0.6124 ( 967 PWs) bands (ev): -52.2236 -52.2236 -24.4452 -24.4452 -23.5963 -23.5963 -23.2124 -23.2124 16.2945 16.2945 16.9068 16.9068 16.9070 16.9070 20.4338 20.4338 20.4737 20.4737 27.5747 27.5747 27.6064 27.6064 k = 0.3447 0.0856 0.6124 ( 973 PWs) bands (ev): -52.2246 -52.2246 -24.4475 -24.4475 -23.5987 -23.5987 -23.2144 -23.2144 16.3253 16.3253 16.8822 16.8822 16.8824 16.8824 20.4291 20.4291 20.4683 20.4683 27.5826 27.5826 27.6151 27.6151 k = 0.3474 0.0782 0.6124 ( 973 PWs) bands (ev): -52.2232 -52.2232 -24.4495 -24.4495 -23.6009 -23.6009 -23.2162 -23.2162 16.3660 16.3660 16.8556 16.8556 16.8559 16.8559 20.4334 20.4334 20.4717 20.4717 27.5934 27.5934 27.6268 27.6268 k = 0.3500 0.0707 0.6124 ( 973 PWs) bands (ev): -52.2217 -52.2217 -24.4514 -24.4514 -23.6029 -23.6029 -23.2185 -23.2185 16.4105 16.4105 16.8270 16.8270 16.8273 16.8273 20.4390 20.4390 20.4764 20.4764 27.6067 27.6067 27.6411 27.6411 k = 0.3526 0.0633 0.6124 ( 973 PWs) bands (ev): -52.2201 -52.2201 -24.4534 -24.4534 -23.6048 -23.6048 -23.2213 -23.2213 16.4586 16.4586 16.7963 16.7963 16.7968 16.7968 20.4459 20.4459 20.4822 20.4822 27.6223 27.6223 27.6578 27.6578 k = 0.3553 0.0558 0.6124 ( 979 PWs) bands (ev): -52.2207 -52.2207 -24.4557 -24.4557 -23.6069 -23.6069 -23.2250 -23.2250 16.5092 16.5092 16.7622 16.7622 16.7626 16.7626 20.4434 20.4434 20.4784 20.4784 27.6366 27.6366 27.6734 27.6734 k = 0.3579 0.0484 0.6124 ( 979 PWs) bands (ev): -52.2190 -52.2190 -24.4576 -24.4576 -23.6085 -23.6085 -23.2289 -23.2289 16.5646 16.5646 16.7280 16.7280 16.7284 16.7284 20.4526 20.4526 20.4863 20.4863 27.6568 27.6568 27.6948 27.6948 k = 0.3605 0.0409 0.6124 ( 967 PWs) bands (ev): -52.2125 -52.2125 -24.4589 -24.4589 -23.6091 -23.6091 -23.2324 -23.2324 16.6233 16.6233 16.6979 16.6979 16.6979 16.6979 20.4818 20.4818 20.5141 20.5141 27.6853 27.6853 27.7248 27.7248 k = 0.3632 0.0335 0.6124 ( 967 PWs) bands (ev): -52.2107 -52.2107 -24.4608 -24.4608 -23.6104 -23.6104 -23.2373 -23.2373 16.6558 16.6558 16.6602 16.6602 16.6905 16.6905 20.4932 20.4932 20.5240 20.5240 27.7093 27.7093 27.7502 27.7502 k = 0.3658 0.0261 0.6124 ( 964 PWs) bands (ev): -52.2077 -52.2077 -24.4626 -24.4626 -23.6114 -23.6114 -23.2422 -23.2422 16.6192 16.6192 16.6215 16.6215 16.7587 16.7587 20.5081 20.5081 20.5374 20.5374 27.7354 27.7354 27.7777 27.7777 k = 0.3684 0.0186 0.6124 ( 964 PWs) bands (ev): -52.2058 -52.2058 -24.4645 -24.4645 -23.6124 -23.6124 -23.2481 -23.2481 16.5784 16.5784 16.5807 16.5807 16.8286 16.8286 20.5220 20.5220 20.5497 20.5497 27.7630 27.7630 27.8070 27.8070 k = 0.3711 0.0112 0.6124 ( 964 PWs) bands (ev): -52.2038 -52.2038 -24.4664 -24.4664 -23.6132 -23.6132 -23.2543 -23.2543 16.5361 16.5361 16.5384 16.5384 16.9022 16.9022 20.5372 20.5372 20.5632 20.5632 27.7922 27.7922 27.8379 27.8379 k = 0.3737 0.0037 0.6124 ( 964 PWs) bands (ev): -52.2018 -52.2018 -24.4682 -24.4682 -23.6139 -23.6139 -23.2610 -23.2610 16.4923 16.4923 16.4948 16.4948 16.9793 16.9793 20.5536 20.5536 20.5779 20.5779 27.8230 27.8230 27.8704 27.8704 k = 0.3763-0.0037 0.6124 ( 964 PWs) bands (ev): -52.1997 -52.1997 -24.4701 -24.4701 -23.6145 -23.6145 -23.2680 -23.2680 16.4473 16.4473 16.4499 16.4499 17.0599 17.0599 20.5712 20.5712 20.5937 20.5937 27.8552 27.8552 27.9045 27.9045 k = 0.3789-0.0112 0.6124 ( 964 PWs) bands (ev): -52.1975 -52.1975 -24.4720 -24.4720 -23.6149 -23.6149 -23.2755 -23.2755 16.4013 16.4013 16.4040 16.4040 17.1439 17.1439 20.5900 20.5900 20.6106 20.6106 27.8888 27.8888 27.9400 27.9400 k = 0.3816-0.0186 0.6124 ( 964 PWs) bands (ev): -52.1953 -52.1953 -24.4739 -24.4739 -23.6153 -23.6153 -23.2832 -23.2832 16.3542 16.3542 16.3571 16.3571 17.2312 17.2312 20.6098 20.6098 20.6286 20.6286 27.9236 27.9236 27.9768 27.9768 k = 0.3842-0.0261 0.6124 ( 964 PWs) bands (ev): -52.1931 -52.1931 -24.4758 -24.4758 -23.6155 -23.6155 -23.2913 -23.2913 16.3063 16.3063 16.3094 16.3094 17.3217 17.3217 20.6307 20.6307 20.6476 20.6476 27.9595 27.9595 28.0147 28.0147 k = 0.3868-0.0335 0.6124 ( 964 PWs) bands (ev): -52.1908 -52.1908 -24.4777 -24.4777 -23.6156 -23.6156 -23.2997 -23.2997 16.2577 16.2577 16.2609 16.2609 17.4153 17.4153 20.6525 20.6525 20.6676 20.6676 27.9964 27.9964 28.0538 28.0538 k = 0.3895-0.0409 0.6124 ( 958 PWs) bands (ev): -52.1861 -52.1861 -24.4793 -24.4793 -23.6153 -23.6153 -23.3078 -23.3078 16.2106 16.2106 16.2138 16.2138 17.5138 17.5138 20.6840 20.6840 20.6971 20.6971 28.0354 28.0354 28.0949 28.0949 k = 0.3921-0.0484 0.6124 ( 964 PWs) bands (ev): -52.1861 -52.1861 -24.4816 -24.4816 -23.6156 -23.6156 -23.3171 -23.3171 16.1575 16.1575 16.1608 16.1608 17.6133 17.6133 20.6999 20.6999 20.7111 20.7111 28.0695 28.0695 28.1313 28.1313 k = 0.3947-0.0558 0.6124 ( 964 PWs) bands (ev): -52.1838 -52.1838 -24.4835 -24.4835 -23.6155 -23.6155 -23.3262 -23.3262 16.1073 16.1073 16.1107 16.1107 17.7156 17.7156 20.7241 20.7241 20.7333 20.7333 28.1088 28.1088 28.1729 28.1729 k = 0.3974-0.0633 0.6124 ( 964 PWs) bands (ev): -52.1814 -52.1814 -24.4855 -24.4855 -23.6152 -23.6152 -23.3355 -23.3355 16.0569 16.0569 16.0604 16.0604 17.8206 17.8206 20.7490 20.7490 20.7563 20.7563 28.1488 28.1488 28.2152 28.2152 k = 0.4000-0.0707 0.6124 ( 964 PWs) bands (ev): -52.1791 -52.1791 -24.4875 -24.4875 -23.6148 -23.6148 -23.3450 -23.3450 16.0064 16.0064 16.0099 16.0099 17.9282 17.9282 20.7746 20.7746 20.7799 20.7799 28.1892 28.1892 28.2581 28.2581 k = 0.4026-0.0782 0.6124 ( 964 PWs) bands (ev): -52.1766 -52.1766 -24.4895 -24.4895 -23.6144 -23.6144 -23.3546 -23.3546 15.9559 15.9559 15.9594 15.9594 18.0382 18.0382 20.8008 20.8008 20.8042 20.8042 28.2301 28.2301 28.3015 28.3015 k = 0.4053-0.0856 0.6124 ( 964 PWs) bands (ev): -52.1742 -52.1742 -24.4915 -24.4915 -23.6138 -23.6138 -23.3643 -23.3643 15.9054 15.9054 15.9089 15.9089 18.1505 18.1505 20.8275 20.8275 20.8290 20.8290 28.2713 28.2713 28.3453 28.3453 k = 0.4079-0.0930 0.6124 ( 958 PWs) bands (ev): -52.1694 -52.1694 -24.4933 -24.4933 -23.6132 -23.6132 -23.3732 -23.3732 15.8561 15.8561 15.8595 15.8595 18.2754 18.2754 20.8582 20.8582 20.8587 20.8587 28.3128 28.3128 28.3895 28.3895 k = 0.4105-0.1005 0.6124 ( 970 PWs) bands (ev): -52.1717 -52.1717 -24.4962 -24.4962 -23.6136 -23.6136 -23.3834 -23.3834 15.8006 15.8006 15.8039 15.8039 18.3839 18.3839 20.8717 20.8717 20.8743 20.8743 28.3436 28.3436 28.4230 28.4230 k = 0.4132-0.1079 0.6124 ( 970 PWs) bands (ev): -52.1693 -52.1693 -24.4983 -24.4983 -23.6129 -23.6129 -23.3932 -23.3932 15.7511 15.7511 15.7544 15.7544 18.5019 18.5019 20.8973 20.8973 20.9018 20.9018 28.3855 28.3855 28.4677 28.4677 k = 0.4158-0.1154 0.6124 ( 970 PWs) bands (ev): -52.1669 -52.1669 -24.5005 -24.5005 -23.6121 -23.6121 -23.4030 -23.4030 15.7020 15.7020 15.7053 15.7053 18.6214 18.6214 20.9231 20.9231 20.9296 20.9296 28.4274 28.4274 28.5124 28.5124 k = 0.4184-0.1228 0.6124 ( 970 PWs) bands (ev): -52.1646 -52.1646 -24.5026 -24.5026 -23.6113 -23.6113 -23.4127 -23.4127 15.6536 15.6536 15.6568 15.6568 18.7424 18.7424 20.9492 20.9492 20.9575 20.9575 28.4691 28.4691 28.5570 28.5570 k = 0.4211-0.1303 0.6124 ( 970 PWs) bands (ev): -52.1622 -52.1622 -24.5048 -24.5048 -23.6105 -23.6105 -23.4224 -23.4224 15.6058 15.6058 15.6089 15.6089 18.8645 18.8645 20.9754 20.9754 20.9856 20.9856 28.5107 28.5107 28.6015 28.6015 k = 0.4237-0.1377 0.6124 ( 970 PWs) bands (ev): -52.1598 -52.1598 -24.5070 -24.5070 -23.6096 -23.6096 -23.4320 -23.4320 15.5588 15.5588 15.5618 15.5618 18.9877 18.9877 21.0016 21.0016 21.0137 21.0137 28.5519 28.5519 28.6458 28.6458 k = 0.4263-0.1451 0.6124 ( 970 PWs) bands (ev): -52.1575 -52.1575 -24.5093 -24.5093 -23.6087 -23.6087 -23.4415 -23.4415 15.5127 15.5127 15.5156 15.5156 19.1116 19.1116 21.0279 21.0279 21.0418 21.0418 28.5928 28.5928 28.6898 28.6898 k = 0.4289-0.1526 0.6124 ( 970 PWs) bands (ev): -52.1551 -52.1551 -24.5115 -24.5115 -23.6077 -23.6077 -23.4508 -23.4508 15.4675 15.4675 15.4702 15.4702 19.2360 19.2360 21.0540 21.0540 21.0698 21.0698 28.6332 28.6332 28.7334 28.7334 k = 0.4316-0.1600 0.6124 ( 973 PWs) bands (ev): -52.1540 -52.1540 -24.5139 -24.5139 -23.6068 -23.6068 -23.4603 -23.4603 15.4215 15.4215 15.4241 15.4241 19.3566 19.3566 21.0790 21.0790 21.0965 21.0965 28.6720 28.6720 28.7753 28.7753 k = 0.4342-0.1675 0.6124 ( 973 PWs) bands (ev): -52.1518 -52.1518 -24.5162 -24.5162 -23.6059 -23.6059 -23.4692 -23.4692 15.3783 15.3783 15.3808 15.3808 19.4810 19.4810 21.1048 21.1048 21.1240 21.1240 28.7112 28.7112 28.8178 28.8178 k = 0.4368-0.1749 0.6124 ( 973 PWs) bands (ev): -52.1496 -52.1496 -24.5185 -24.5185 -23.6049 -23.6049 -23.4779 -23.4779 15.3363 15.3363 15.3387 15.3387 19.6052 19.6052 21.1303 21.1303 21.1513 21.1513 28.7497 28.7497 28.8597 28.8597 k = 0.4395-0.1824 0.6124 ( 973 PWs) bands (ev): -52.1474 -52.1474 -24.5208 -24.5208 -23.6039 -23.6039 -23.4864 -23.4864 15.2955 15.2955 15.2977 15.2977 19.7288 19.7288 21.1555 21.1555 21.1782 21.1782 28.7874 28.7874 28.9008 28.9008 k = 0.4421-0.1898 0.6124 ( 976 PWs) bands (ev): -52.1464 -52.1464 -24.5232 -24.5232 -23.6029 -23.6029 -23.4951 -23.4951 15.2559 15.2559 15.2580 15.2580 19.8391 19.8391 21.1802 21.1802 21.2045 21.2045 28.8240 28.8240 28.9410 28.9410 k = 0.4447-0.1972 0.6124 ( 982 PWs) bands (ev): -52.1468 -52.1468 -24.5258 -24.5258 -23.6024 -23.6024 -23.5034 -23.5034 15.2138 15.2138 15.2158 15.2158 19.9580 19.9580 21.1991 21.1991 21.2251 21.2251 28.8560 28.8560 28.9764 28.9764 k = 0.4474-0.2047 0.6124 ( 982 PWs) bands (ev): -52.1448 -52.1448 -24.5280 -24.5280 -23.6014 -23.6014 -23.5111 -23.5111 15.1771 15.1771 15.1789 15.1789 20.0772 20.0772 21.2227 21.2227 21.2503 21.2503 28.8908 28.8908 29.0149 29.0149 k = 0.4500-0.2121 0.6124 ( 982 PWs) bands (ev): -52.1429 -52.1429 -24.5302 -24.5302 -23.6005 -23.6005 -23.5185 -23.5185 15.1418 15.1418 15.1434 15.1434 20.1944 20.1944 21.2457 21.2457 21.2748 21.2748 28.9244 28.9244 29.0523 29.0523 k = 0.4526-0.2196 0.6124 ( 982 PWs) bands (ev): -52.1410 -52.1410 -24.5324 -24.5324 -23.5995 -23.5995 -23.5256 -23.5256 15.1080 15.1080 15.1095 15.1095 20.3094 20.3094 21.2679 21.2679 21.2986 21.2986 28.9566 28.9566 29.0885 29.0885 k = 0.4553-0.2270 0.6124 ( 982 PWs) bands (ev): -52.1392 -52.1392 -24.5345 -24.5345 -23.5986 -23.5986 -23.5323 -23.5323 15.0758 15.0758 15.0771 15.0771 20.4215 20.4215 21.2895 21.2895 21.3216 21.3216 28.9875 28.9875 29.1234 29.1234 k = 0.4579-0.2345 0.6124 ( 982 PWs) bands (ev): -52.1375 -52.1375 -24.5365 -24.5365 -23.5977 -23.5977 -23.5387 -23.5387 15.0452 15.0452 15.0464 15.0464 20.5306 20.5306 21.3102 21.3102 21.3437 21.3437 29.0168 29.0168 29.1569 29.1569 k = 0.4605-0.2419 0.6124 ( 979 PWs) bands (ev): -52.1346 -52.1346 -24.5383 -24.5383 -23.5966 -23.5966 -23.5447 -23.5447 15.0171 15.0171 15.0182 15.0182 20.6393 20.6393 21.3342 21.3342 21.3691 21.3691 29.0458 29.0458 29.1903 29.1903 k = 0.4632-0.2493 0.6124 ( 979 PWs) bands (ev): -52.1331 -52.1331 -24.5402 -24.5402 -23.5957 -23.5957 -23.5504 -23.5504 14.9899 14.9899 14.9909 14.9909 20.7408 20.7408 21.3530 21.3530 21.3892 21.3892 29.0715 29.0715 29.2207 29.2207 k = 0.4658-0.2568 0.6124 ( 979 PWs) bands (ev): -52.1316 -52.1316 -24.5421 -24.5421 -23.5950 -23.5950 -23.5558 -23.5558 14.9644 14.9644 14.9652 14.9652 20.8379 20.8379 21.3708 21.3708 21.4083 21.4083 29.0953 29.0953 29.2495 29.2495 k = 0.4684-0.2642 0.6124 ( 985 PWs) bands (ev): -52.1326 -52.1326 -24.5442 -24.5442 -23.5945 -23.5945 -23.5612 -23.5612 14.9369 14.9369 14.9376 14.9376 20.9288 20.9288 21.3804 21.3804 21.4193 21.4193 29.1162 29.1162 29.2755 29.2755 k = 0.4711-0.2717 0.6124 ( 979 PWs) bands (ev): -52.1290 -52.1290 -24.5454 -24.5454 -23.5934 -23.5934 -23.5655 -23.5655 14.9159 14.9159 14.9165 14.9165 21.0163 21.0163 21.4099 21.4099 21.4499 21.4499 29.1363 29.1363 29.3014 29.3014 k = 0.4737-0.2791 0.6124 ( 985 PWs) bands (ev): -52.1302 -52.1302 -24.5473 -24.5473 -23.5930 -23.5930 -23.5703 -23.5703 14.8919 14.8919 14.8925 14.8925 21.0880 21.0880 21.4213 21.4213 21.4626 21.4626 29.1529 29.1529 29.3240 29.3240 k = 0.4763-0.2866 0.6124 ( 985 PWs) bands (ev): -52.1292 -52.1292 -24.5487 -24.5487 -23.5924 -23.5924 -23.5741 -23.5741 14.8735 14.8735 14.8740 14.8740 21.1627 21.1627 21.4343 21.4343 21.4769 21.4769 29.1678 29.1678 29.3456 29.3456 k = 0.4789-0.2940 0.6124 ( 988 PWs) bands (ev): -52.1294 -52.1294 -24.5502 -24.5502 -23.5919 -23.5919 -23.5780 -23.5780 14.8567 14.8567 14.8571 14.8571 21.2162 21.2162 21.4455 21.4455 21.4894 21.4894 29.1800 29.1800 29.3650 29.3650 k = 0.4816-0.3015 0.6124 ( 982 PWs) bands (ev): -52.1262 -52.1262 -24.5510 -24.5510 -23.5912 -23.5912 -23.5804 -23.5804 14.8439 14.8439 14.8442 14.8442 21.2841 21.2841 21.4643 21.4643 21.5095 21.5095 29.1901 29.1901 29.3825 29.3825 k = 0.4842-0.3089 0.6124 ( 982 PWs) bands (ev): -52.1255 -52.1255 -24.5520 -24.5520 -23.5908 -23.5908 -23.5830 -23.5830 14.8311 14.8311 14.8313 14.8313 21.3370 21.3370 21.4733 21.4733 21.5201 21.5201 29.1975 29.1975 29.3977 29.3977 k = 0.4868-0.3163 0.6124 ( 976 PWs) bands (ev): -52.1226 -52.1226 -24.5525 -24.5525 -23.5904 -23.5904 -23.5845 -23.5845 14.8214 14.8214 14.8215 14.8215 21.4059 21.4059 21.4819 21.4819 21.5318 21.5318 29.2032 29.2032 29.4107 29.4107 k = 0.4895-0.3238 0.6124 ( 976 PWs) bands (ev): -52.1222 -52.1222 -24.5533 -24.5533 -23.5901 -23.5901 -23.5863 -23.5863 14.8125 14.8125 14.8125 14.8125 21.4416 21.4416 21.4882 21.4882 21.5411 21.5411 29.2066 29.2066 29.4213 29.4213 k = 0.4921-0.3312 0.6124 ( 976 PWs) bands (ev): -52.1218 -52.1218 -24.5538 -24.5538 -23.5899 -23.5899 -23.5877 -23.5877 14.8055 14.8055 14.8056 14.8056 21.4682 21.4682 21.4931 21.4931 21.5496 21.5496 29.2086 29.2086 29.4297 29.4297 k = 0.4947-0.3387 0.6124 ( 976 PWs) bands (ev): -52.1216 -52.1216 -24.5542 -24.5542 -23.5897 -23.5897 -23.5887 -23.5887 14.8006 14.8006 14.8006 14.8006 21.4862 21.4862 21.4966 21.4966 21.5569 21.5569 29.2096 29.2096 29.4357 29.4357 k = 0.4974-0.3461 0.6124 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5896 -23.5896 -23.5894 -23.5894 14.7976 14.7976 14.7976 14.7976 21.4962 21.4962 21.4987 21.4987 21.5621 21.5621 29.2100 29.2100 29.4393 29.4393 k = 0.5000-0.3536 0.6124 ( 976 PWs) bands (ev): -52.1214 -52.1214 -24.5545 -24.5545 -23.5896 -23.5896 -23.5896 -23.5896 14.7966 14.7966 14.7966 14.7966 21.4994 21.4994 21.4994 21.4994 21.5640 21.5640 29.2101 29.2101 29.4405 29.4405 k = 0.2500 0.3536 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4167 -23.4167 -23.4167 -23.4167 16.7533 16.7533 16.7720 16.7720 16.7720 16.7720 20.5996 20.5996 20.5996 20.5996 29.1351 29.1351 29.2095 29.2095 k = 0.2455 0.3471 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3898 -24.3898 -23.4238 -23.4238 -23.4093 -23.4093 16.7365 16.7365 16.7646 16.7646 16.7957 16.7957 20.5985 20.5985 20.6003 20.6003 29.0166 29.0166 29.1830 29.1830 k = 0.2409 0.3407 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3900 -24.3900 -23.4308 -23.4308 -23.4018 -23.4018 16.7126 16.7126 16.7582 16.7582 16.8249 16.8249 20.5969 20.5969 20.6007 20.6007 28.8579 28.8579 29.1743 29.1743 k = 0.2364 0.3343 0.6124 ( 952 PWs) bands (ev): -52.2315 -52.2315 -24.3904 -24.3904 -23.4376 -23.4376 -23.3941 -23.3941 16.6894 16.6894 16.7481 16.7481 16.8562 16.8562 20.5949 20.5949 20.6008 20.6008 28.6972 28.6972 29.1614 29.1614 k = 0.2318 0.3278 0.6124 ( 952 PWs) bands (ev): -52.2316 -52.2316 -24.3908 -24.3908 -23.4442 -23.4442 -23.3862 -23.3862 16.6676 16.6676 16.7341 16.7341 16.8894 16.8894 20.5922 20.5922 20.6008 20.6008 28.5362 28.5362 29.1445 29.1445 k = 0.2273 0.3214 0.6124 ( 958 PWs) bands (ev): -52.2340 -52.2340 -24.3918 -24.3918 -23.4509 -23.4509 -23.3788 -23.3788 16.6406 16.6406 16.7156 16.7156 16.9242 16.9242 20.5767 20.5767 20.5993 20.5993 28.3751 28.3751 29.1209 29.1209 k = 0.2227 0.3150 0.6124 ( 962 PWs) bands (ev): -52.2357 -52.2357 -24.3927 -24.3927 -23.4573 -23.4573 -23.3709 -23.3709 16.6187 16.6187 16.6937 16.6937 16.9561 16.9561 20.5713 20.5713 20.5953 20.5953 28.2087 28.2087 29.0975 29.0975 k = 0.2182 0.3086 0.6124 ( 964 PWs) bands (ev): -52.2366 -52.2366 -24.3937 -24.3937 -23.4634 -23.4634 -23.3628 -23.3628 16.6009 16.6009 16.6666 16.6666 16.9910 16.9910 20.5667 20.5667 20.5949 20.5949 28.0443 28.0443 29.0711 29.0711 k = 0.2136 0.3021 0.6124 ( 964 PWs) bands (ev): -52.2368 -52.2368 -24.3946 -24.3946 -23.4691 -23.4691 -23.3546 -23.3546 16.5845 16.5845 16.6378 16.6378 17.0310 17.0310 20.5615 20.5615 20.5944 20.5944 27.8841 27.8841 29.0449 29.0449 k = 0.2091 0.2957 0.6124 ( 968 PWs) bands (ev): -52.2385 -52.2385 -24.3960 -24.3960 -23.4746 -23.4746 -23.3466 -23.3466 16.5659 16.5659 16.6046 16.6046 17.0719 17.0719 20.5540 20.5540 20.5885 20.5885 27.7233 27.7233 29.0141 29.0141 k = 0.2045 0.2893 0.6124 ( 968 PWs) bands (ev): -52.2387 -52.2387 -24.3972 -24.3972 -23.4797 -23.4797 -23.3382 -23.3382 16.5509 16.5509 16.5706 16.5706 17.1154 17.1154 20.5476 20.5476 20.5877 20.5877 27.5639 27.5639 28.9875 28.9875 k = 0.2000 0.2828 0.6124 ( 964 PWs) bands (ev): -52.2374 -52.2374 -24.3983 -24.3983 -23.4843 -23.4843 -23.3296 -23.3296 16.5269 16.5269 16.5456 16.5456 17.1609 17.1609 20.5565 20.5565 20.5878 20.5878 27.4054 27.4054 28.9625 28.9625 k = 0.1955 0.2764 0.6124 ( 964 PWs) bands (ev): -52.2376 -52.2376 -24.3998 -24.3998 -23.4889 -23.4889 -23.3211 -23.3211 16.4875 16.4875 16.5328 16.5328 17.2078 17.2078 20.5488 20.5488 20.5866 20.5866 27.2470 27.2470 28.9375 28.9375 k = 0.1909 0.2700 0.6124 ( 968 PWs) bands (ev): -52.2395 -52.2395 -24.4016 -24.4016 -23.4933 -23.4933 -23.3131 -23.3131 16.4418 16.4418 16.5206 16.5206 17.2563 17.2563 20.5353 20.5353 20.5815 20.5815 27.0889 27.0889 28.9070 28.9070 k = 0.1864 0.2636 0.6124 ( 968 PWs) bands (ev): -52.2398 -52.2398 -24.4033 -24.4033 -23.4973 -23.4973 -23.3046 -23.3046 16.3956 16.3956 16.5121 16.5121 17.3068 17.3068 20.5264 20.5264 20.5802 20.5802 26.9316 26.9316 28.8845 28.8845 k = 0.1818 0.2571 0.6124 ( 968 PWs) bands (ev): -52.2401 -52.2401 -24.4051 -24.4051 -23.5011 -23.5011 -23.2961 -23.2961 16.3470 16.3470 16.5048 16.5048 17.3590 17.3590 20.5172 20.5172 20.5789 20.5789 26.7750 26.7750 28.8635 28.8635 k = 0.1773 0.2507 0.6124 ( 968 PWs) bands (ev): -52.2404 -52.2404 -24.4070 -24.4070 -23.5045 -23.5045 -23.2876 -23.2876 16.2964 16.2964 16.4988 16.4988 17.4129 17.4129 20.5075 20.5075 20.5775 20.5775 26.6190 26.6190 28.8441 28.8441 k = 0.1727 0.2443 0.6124 ( 968 PWs) bands (ev): -52.2407 -52.2407 -24.4090 -24.4090 -23.5078 -23.5078 -23.2792 -23.2792 16.2439 16.2439 16.4939 16.4939 17.4685 17.4685 20.4976 20.4976 20.5761 20.5761 26.4637 26.4637 28.8263 28.8263 k = 0.1682 0.2378 0.6124 ( 968 PWs) bands (ev): -52.2410 -52.2410 -24.4111 -24.4111 -23.5107 -23.5107 -23.2708 -23.2708 16.1897 16.1897 16.4900 16.4900 17.5259 17.5259 20.4874 20.4874 20.5747 20.5747 26.3091 26.3091 28.8102 28.8102 k = 0.1636 0.2314 0.6124 ( 968 PWs) bands (ev): -52.2413 -52.2413 -24.4133 -24.4133 -23.5134 -23.5134 -23.2625 -23.2625 16.1342 16.1342 16.4872 16.4872 17.5849 17.5849 20.4770 20.4770 20.5733 20.5733 26.1553 26.1553 28.7958 28.7958 k = 0.1591 0.2250 0.6124 ( 972 PWs) bands (ev): -52.2432 -52.2432 -24.4158 -24.4158 -23.5161 -23.5161 -23.2545 -23.2545 16.0770 16.0770 16.4832 16.4832 17.6448 17.6448 20.4539 20.4539 20.5714 20.5714 26.0010 26.0010 28.7794 28.7794 k = 0.1545 0.2186 0.6124 ( 972 PWs) bands (ev): -52.2436 -52.2436 -24.4181 -24.4181 -23.5182 -23.5182 -23.2463 -23.2463 16.0192 16.0192 16.4822 16.4822 17.7072 17.7072 20.4429 20.4429 20.5699 20.5699 25.8487 25.8487 28.7679 28.7679 k = 0.1500 0.2121 0.6124 ( 972 PWs) bands (ev): -52.2439 -52.2439 -24.4206 -24.4206 -23.5201 -23.5201 -23.2382 -23.2382 15.9608 15.9608 16.4821 16.4821 17.7713 17.7713 20.4318 20.4318 20.5684 20.5684 25.6974 25.6974 28.7580 28.7580 k = 0.1455 0.2057 0.6124 ( 980 PWs) bands (ev): -52.2474 -52.2474 -24.4235 -24.4235 -23.5223 -23.5223 -23.2308 -23.2308 15.9017 15.9017 16.4795 16.4795 17.8325 17.8325 20.4097 20.4097 20.5525 20.5525 25.5408 25.5408 28.7472 28.7472 k = 0.1409 0.1993 0.6124 ( 980 PWs) bands (ev): -52.2478 -52.2478 -24.4260 -24.4260 -23.5237 -23.5237 -23.2230 -23.2230 15.8424 15.8424 16.4809 16.4809 17.8998 17.8998 20.3984 20.3984 20.5509 20.5509 25.3911 25.3911 28.7401 28.7401 k = 0.1364 0.1928 0.6124 ( 978 PWs) bands (ev): -52.2474 -52.2474 -24.4285 -24.4285 -23.5247 -23.5247 -23.2151 -23.2151 15.7837 15.7837 16.4830 16.4830 17.9688 17.9688 20.3951 20.3951 20.5494 20.5494 25.2427 25.2427 28.7360 28.7360 k = 0.1318 0.1864 0.6124 ( 978 PWs) bands (ev): -52.2478 -52.2478 -24.4312 -24.4312 -23.5257 -23.5257 -23.2076 -23.2076 15.7243 15.7243 16.4858 16.4858 18.0392 18.0392 20.3835 20.3835 20.5477 20.5477 25.0950 25.0950 28.7315 28.7315 k = 0.1273 0.1800 0.6124 ( 986 PWs) bands (ev): -52.2513 -52.2513 -24.4343 -24.4343 -23.5271 -23.5271 -23.2006 -23.2006 15.6635 15.6635 16.4828 16.4828 18.1023 18.1023 20.3689 20.3689 20.5424 20.5424 24.9357 24.9357 28.7244 28.7244 k = 0.1227 0.1736 0.6124 ( 986 PWs) bands (ev): -52.2517 -52.2517 -24.4370 -24.4370 -23.5277 -23.5277 -23.1933 -23.1933 15.6048 15.6048 16.4866 16.4866 18.1757 18.1757 20.3575 20.3575 20.5407 20.5407 24.7899 24.7899 28.7220 28.7220 k = 0.1182 0.1671 0.6124 ( 982 PWs) bands (ev): -52.2505 -52.2505 -24.4395 -24.4395 -23.5278 -23.5278 -23.1859 -23.1859 15.5481 15.5481 16.4969 16.4969 18.2511 18.2511 20.3512 20.3512 20.5395 20.5395 24.6466 24.6466 28.7246 28.7246 k = 0.1136 0.1607 0.6124 ( 982 PWs) bands (ev): -52.2509 -52.2509 -24.4422 -24.4422 -23.5281 -23.5281 -23.1790 -23.1790 15.4909 15.4909 16.5015 16.5015 18.3273 18.3273 20.3399 20.3399 20.5379 20.5379 24.5031 24.5031 28.7241 28.7241 k = 0.1091 0.1543 0.6124 ( 982 PWs) bands (ev): -52.2513 -52.2513 -24.4449 -24.4449 -23.5282 -23.5282 -23.1723 -23.1723 15.4346 15.4346 16.5066 16.5066 18.4050 18.4050 20.3288 20.3288 20.5363 20.5363 24.3609 24.3609 28.7244 28.7244 k = 0.1045 0.1478 0.6124 ( 982 PWs) bands (ev): -52.2517 -52.2517 -24.4475 -24.4475 -23.5281 -23.5281 -23.1657 -23.1657 15.3795 15.3795 16.5119 16.5119 18.4840 18.4840 20.3179 20.3179 20.5347 20.5347 24.2200 24.2200 28.7254 28.7254 k = 0.1000 0.1414 0.6124 ( 990 PWs) bands (ev): -52.2552 -52.2552 -24.4507 -24.4507 -23.5286 -23.5286 -23.1597 -23.1597 15.3222 15.3222 16.5142 16.5142 18.5548 18.5548 20.3061 20.3061 20.5241 20.5241 24.0670 24.0670 28.7247 28.7247 k = 0.0955 0.1350 0.6124 ( 986 PWs) bands (ev): -52.2540 -52.2540 -24.4531 -24.4531 -23.5279 -23.5279 -23.1535 -23.1535 15.2699 15.2699 16.5207 16.5207 18.6404 18.6404 20.3001 20.3001 20.5233 20.5233 23.9416 23.9416 28.7268 28.7268 k = 0.0909 0.1286 0.6124 ( 990 PWs) bands (ev): -52.2560 -52.2560 -24.4558 -24.4558 -23.5279 -23.5279 -23.1478 -23.1478 15.2187 15.2187 16.5264 16.5264 18.7198 18.7198 20.2785 20.2785 20.5216 20.5216 23.7993 23.7993 28.7267 28.7267 k = 0.0864 0.1221 0.6124 ( 990 PWs) bands (ev): -52.2564 -52.2564 -24.4583 -24.4583 -23.5275 -23.5275 -23.1422 -23.1422 15.1695 15.1695 16.5325 16.5325 18.8031 18.8031 20.2686 20.2686 20.5200 20.5200 23.6639 23.6639 28.7295 28.7295 k = 0.0818 0.1157 0.6124 ( 990 PWs) bands (ev): -52.2568 -52.2568 -24.4607 -24.4607 -23.5270 -23.5270 -23.1368 -23.1368 15.1221 15.1221 16.5387 16.5387 18.8874 18.8874 20.2590 20.2590 20.5185 20.5185 23.5302 23.5302 28.7326 28.7326 k = 0.0773 0.1093 0.6124 ( 990 PWs) bands (ev): -52.2572 -52.2572 -24.4631 -24.4631 -23.5264 -23.5264 -23.1316 -23.1316 15.0766 15.0766 16.5449 16.5449 18.9724 18.9724 20.2499 20.2499 20.5171 20.5171 23.3985 23.3985 28.7360 28.7360 k = 0.0727 0.1029 0.6124 ( 990 PWs) bands (ev): -52.2575 -52.2575 -24.4653 -24.4653 -23.5258 -23.5258 -23.1267 -23.1267 15.0331 15.0331 16.5510 16.5510 19.0580 19.0580 20.2411 20.2411 20.5157 20.5157 23.2689 23.2689 28.7396 28.7396 k = 0.0682 0.0964 0.6124 ( 994 PWs) bands (ev): -52.2594 -52.2594 -24.4676 -24.4676 -23.5254 -23.5254 -23.1224 -23.1224 14.9912 14.9912 16.5500 16.5500 19.1429 19.1429 20.2311 20.2311 20.5130 20.5130 23.1391 23.1391 28.7385 28.7385 k = 0.0636 0.0900 0.6124 ( 990 PWs) bands (ev): -52.2582 -52.2582 -24.4694 -24.4694 -23.5244 -23.5244 -23.1179 -23.1179 14.9531 14.9531 16.5569 16.5569 19.2320 19.2320 20.2251 20.2251 20.5142 20.5142 23.0267 23.0267 28.7428 28.7428 k = 0.0591 0.0836 0.6124 ( 990 PWs) bands (ev): -52.2585 -52.2585 -24.4714 -24.4714 -23.5238 -23.5238 -23.1138 -23.1138 14.9163 14.9163 16.5624 16.5624 19.3180 19.3180 20.2178 20.2178 20.5130 20.5130 22.9045 22.9045 28.7464 28.7464 k = 0.0545 0.0771 0.6124 ( 994 PWs) bands (ev): -52.2604 -52.2604 -24.4736 -24.4736 -23.5234 -23.5234 -23.1101 -23.1101 14.8765 14.8765 16.5677 16.5677 19.4002 19.4002 20.2101 20.2101 20.5115 20.5115 22.7790 22.7790 28.7435 28.7435 k = 0.0500 0.0707 0.6124 ( 994 PWs) bands (ev): -52.2607 -52.2607 -24.4753 -24.4753 -23.5227 -23.5227 -23.1065 -23.1065 14.8446 14.8446 16.5728 16.5728 19.4852 19.4852 20.2037 20.2037 20.5105 20.5105 22.6631 22.6631 28.7469 28.7469 k = 0.0455 0.0643 0.6124 ( 988 PWs) bands (ev): -52.2586 -52.2586 -24.4767 -24.4767 -23.5215 -23.5215 -23.1029 -23.1029 14.8165 14.8165 16.5831 16.5831 19.5700 19.5700 20.2078 20.2078 20.5102 20.5102 22.5578 22.5578 28.7559 28.7559 k = 0.0409 0.0579 0.6124 ( 988 PWs) bands (ev): -52.2588 -52.2588 -24.4782 -24.4782 -23.5209 -23.5209 -23.1000 -23.1000 14.7897 14.7897 16.5875 16.5875 19.6517 19.6517 20.2022 20.2022 20.5094 20.5094 22.4505 22.4505 28.7589 28.7589 k = 0.0364 0.0514 0.6124 ( 984 PWs) bands (ev): -52.2575 -52.2575 -24.4793 -24.4793 -23.5202 -23.5202 -23.0970 -23.0970 14.7660 14.7660 16.5928 16.5928 19.7307 19.7307 20.2001 20.2001 20.5222 20.5222 22.3505 22.3505 28.7617 28.7617 k = 0.0318 0.0450 0.6124 ( 984 PWs) bands (ev): -52.2577 -52.2577 -24.4804 -24.4804 -23.5196 -23.5196 -23.0947 -23.0947 14.7446 14.7446 16.5964 16.5964 19.8061 19.8061 20.1956 20.1956 20.5215 20.5215 22.2549 22.2549 28.7642 28.7642 k = 0.0273 0.0386 0.6124 ( 984 PWs) bands (ev): -52.2579 -52.2579 -24.4815 -24.4815 -23.5192 -23.5192 -23.0927 -23.0927 14.7259 14.7259 16.5996 16.5996 19.8766 19.8766 20.1917 20.1917 20.5208 20.5208 22.1669 22.1669 28.7665 28.7665 k = 0.0227 0.0321 0.6124 ( 984 PWs) bands (ev): -52.2580 -52.2580 -24.4824 -24.4824 -23.5188 -23.5188 -23.0909 -23.0909 14.7101 14.7101 16.6023 16.6023 19.9410 19.9410 20.1884 20.1884 20.5203 20.5203 22.0878 22.0878 28.7684 28.7684 k = 0.0182 0.0257 0.6124 ( 980 PWs) bands (ev): -52.2566 -52.2566 -24.4829 -24.4829 -23.5182 -23.5182 -23.0891 -23.0891 14.6971 14.6971 16.6101 16.6101 19.9976 19.9976 20.1867 20.1867 20.5267 20.5267 22.0232 22.0232 28.7721 28.7721 k = 0.0136 0.0193 0.6124 ( 980 PWs) bands (ev): -52.2567 -52.2567 -24.4835 -24.4835 -23.5180 -23.5180 -23.0880 -23.0880 14.6870 14.6870 16.6118 16.6118 20.0443 20.0443 20.1846 20.1846 20.5262 20.5262 21.9672 21.9672 28.7733 28.7733 k = 0.0091 0.0129 0.6124 ( 978 PWs) bands (ev): -52.2560 -52.2560 -24.4837 -24.4837 -23.5176 -23.5176 -23.0872 -23.0872 14.6798 14.6798 16.6130 16.6130 20.0795 20.0795 20.1858 20.1858 20.5259 20.5259 21.9339 21.9339 28.7743 28.7743 k = 0.0045 0.0064 0.6124 ( 978 PWs) bands (ev): -52.2560 -52.2560 -24.4840 -24.4840 -23.5175 -23.5175 -23.0867 -23.0867 14.6754 14.6754 16.6138 16.6138 20.1014 20.1014 20.1849 20.1849 20.5257 20.5257 21.9080 21.9080 28.7748 28.7748 k = 0.0000 0.0000 0.6124 ( 978 PWs) bands (ev): -52.2561 -52.2561 -24.4841 -24.4841 -23.5174 -23.5174 -23.0865 -23.0865 14.6740 14.6740 16.6140 16.6140 20.1088 20.1088 20.1845 20.1845 20.5257 20.5257 21.8992 21.8992 28.7750 28.7750 Writing output data file Cr.save init_run : 0.02s CPU 0.16s WALL ( 1 calls) electrons : 32.52s CPU 34.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 32.51s CPU 34.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 516 calls) cegterg : 29.80s CPU 30.50s WALL ( 528 calls) Called by sum_band: Called by *egterg: h_psi : 11.81s CPU 12.45s WALL ( 7430 calls) g_psi : 0.02s CPU 0.03s WALL ( 6386 calls) cdiaghg : 17.58s CPU 17.91s WALL ( 6902 calls) cegterg:over : 0.86s CPU 0.83s WALL ( 6386 calls) cegterg:upda : 0.60s CPU 0.67s WALL ( 6386 calls) cegterg:last : 0.30s CPU 0.22s WALL ( 1046 calls) cdiaghg:chol : 0.87s CPU 0.91s WALL ( 6902 calls) cdiaghg:inve : 0.19s CPU 0.18s WALL ( 6902 calls) cdiaghg:para : 1.14s CPU 1.24s WALL ( 13804 calls) Called by h_psi: h_psi:vloc : 10.82s CPU 11.50s WALL ( 7430 calls) h_psi:vnl : 0.97s CPU 0.93s WALL ( 7430 calls) add_vuspsi : 0.52s CPU 0.48s WALL ( 7430 calls) General routines calbec : 0.43s CPU 0.43s WALL ( 7430 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 10.36s CPU 10.98s WALL ( 336900 calls) davcio : 0.14s CPU 0.09s WALL ( 1032 calls) Parallel routines fft_scatter : 5.60s CPU 6.07s WALL ( 336913 calls) PWSCF : 0m40.64s CPU 1m23.57s WALL This run was terminated on: 17:37:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=