Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:18 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: ./O2.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 23 13 4 383 165 30 Max 24 14 5 385 177 32 Sum 837 493 157 13815 6127 1109 bravais-lattice index = 14 lattice parameter (alat) = 7.4709 a.u. unit-cell volume = 140.6560 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.470942 celldm(2)= 0.925010 celldm(3)= 0.651165 celldm(4)= 0.232147 celldm(5)= 0.436427 celldm(6)= 0.773844 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.715814 0.585879 0.000000 ) a(3) = ( 0.284186 -0.108544 0.575737 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.221777 -0.723947 ) b(2) = ( 0.000000 1.706836 0.321792 ) b(3) = ( 0.000000 0.000000 1.736905 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 683 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 2) = ( 0.0066667 -0.0081452 0.0067531), wk = 0.0014641 k( 3) = ( 0.0133333 -0.0162904 0.0135061), wk = 0.0014641 k( 4) = ( 0.0200000 -0.0244355 0.0202592), wk = 0.0014641 k( 5) = ( 0.0266667 -0.0325807 0.0270122), wk = 0.0014641 k( 6) = ( 0.0333333 -0.0407259 0.0337652), wk = 0.0014641 k( 7) = ( 0.0400000 -0.0488711 0.0405183), wk = 0.0014641 k( 8) = ( 0.0466667 -0.0570163 0.0472714), wk = 0.0014641 k( 9) = ( 0.0533333 -0.0651614 0.0540244), wk = 0.0014641 k( 10) = ( 0.0600000 -0.0733066 0.0607775), wk = 0.0014641 k( 11) = ( 0.0666667 -0.0814518 0.0675305), wk = 0.0014641 k( 12) = ( 0.0733333 -0.0895970 0.0742836), wk = 0.0014641 k( 13) = ( 0.0800000 -0.0977422 0.0810366), wk = 0.0014641 k( 14) = ( 0.0866667 -0.1058874 0.0877897), wk = 0.0014641 k( 15) = ( 0.0933333 -0.1140325 0.0945427), wk = 0.0014641 k( 16) = ( 0.1000000 -0.1221777 0.1012958), wk = 0.0014641 k( 17) = ( 0.1066667 -0.1303229 0.1080488), wk = 0.0014641 k( 18) = ( 0.1133333 -0.1384681 0.1148019), wk = 0.0014641 k( 19) = ( 0.1200000 -0.1466132 0.1215549), wk = 0.0014641 k( 20) = ( 0.1266667 -0.1547584 0.1283080), wk = 0.0014641 k( 21) = ( 0.1333333 -0.1629036 0.1350610), wk = 0.0014641 k( 22) = ( 0.1400000 -0.1710488 0.1418141), wk = 0.0014641 k( 23) = ( 0.1466667 -0.1791940 0.1485671), wk = 0.0014641 k( 24) = ( 0.1533333 -0.1873391 0.1553202), wk = 0.0014641 k( 25) = ( 0.1600000 -0.1954843 0.1620732), wk = 0.0014641 k( 26) = ( 0.1666667 -0.2036295 0.1688263), wk = 0.0014641 k( 27) = ( 0.1733333 -0.2117747 0.1755793), wk = 0.0014641 k( 28) = ( 0.1800000 -0.2199199 0.1823324), wk = 0.0014641 k( 29) = ( 0.1866667 -0.2280651 0.1890854), wk = 0.0014641 k( 30) = ( 0.1933333 -0.2362102 0.1958385), wk = 0.0014641 k( 31) = ( 0.2000000 -0.2443554 0.2025915), wk = 0.0014641 k( 32) = ( 0.2066667 -0.2525006 0.2093446), wk = 0.0014641 k( 33) = ( 0.2133333 -0.2606458 0.2160976), wk = 0.0014641 k( 34) = ( 0.2200000 -0.2687910 0.2228507), wk = 0.0014641 k( 35) = ( 0.2266667 -0.2769361 0.2296037), wk = 0.0014641 k( 36) = ( 0.2333333 -0.2850813 0.2363568), wk = 0.0014641 k( 37) = ( 0.2400000 -0.2932265 0.2431098), wk = 0.0014641 k( 38) = ( 0.2466667 -0.3013717 0.2498629), wk = 0.0014641 k( 39) = ( 0.2533333 -0.3095169 0.2566159), wk = 0.0014641 k( 40) = ( 0.2600000 -0.3176620 0.2633690), wk = 0.0014641 k( 41) = ( 0.2666667 -0.3258072 0.2701220), wk = 0.0014641 k( 42) = ( 0.2733333 -0.3339524 0.2768751), wk = 0.0014641 k( 43) = ( 0.2800000 -0.3420976 0.2836281), wk = 0.0014641 k( 44) = ( 0.2866667 -0.3502428 0.2903812), wk = 0.0014641 k( 45) = ( 0.2933333 -0.3583879 0.2971342), wk = 0.0014641 k( 46) = ( 0.3000000 -0.3665331 0.3038873), wk = 0.0014641 k( 47) = ( 0.3066667 -0.3746783 0.3106403), wk = 0.0014641 k( 48) = ( 0.3133333 -0.3828235 0.3173934), wk = 0.0014641 k( 49) = ( 0.3200000 -0.3909687 0.3241464), wk = 0.0014641 k( 50) = ( 0.3266667 -0.3991138 0.3308995), wk = 0.0014641 k( 51) = ( 0.3333333 -0.4072590 0.3376525), wk = 0.0014641 k( 52) = ( 0.3400000 -0.4154042 0.3444056), wk = 0.0014641 k( 53) = ( 0.3466667 -0.4235494 0.3511586), wk = 0.0014641 k( 54) = ( 0.3533333 -0.4316946 0.3579117), wk = 0.0014641 k( 55) = ( 0.3600000 -0.4398397 0.3646647), wk = 0.0014641 k( 56) = ( 0.3666667 -0.4479849 0.3714178), wk = 0.0014641 k( 57) = ( 0.3733333 -0.4561301 0.3781708), wk = 0.0014641 k( 58) = ( 0.3800000 -0.4642753 0.3849239), wk = 0.0014641 k( 59) = ( 0.3866667 -0.4724205 0.3916769), wk = 0.0014641 k( 60) = ( 0.3933333 -0.4805656 0.3984300), wk = 0.0014641 k( 61) = ( 0.4000000 -0.4887108 0.4051830), wk = 0.0014641 k( 62) = ( 0.4066667 -0.4968560 0.4119361), wk = 0.0014641 k( 63) = ( 0.4133333 -0.5050012 0.4186891), wk = 0.0014641 k( 64) = ( 0.4200000 -0.5131464 0.4254422), wk = 0.0014641 k( 65) = ( 0.4266667 -0.5212916 0.4321952), wk = 0.0014641 k( 66) = ( 0.4333333 -0.5294367 0.4389483), wk = 0.0014641 k( 67) = ( 0.4400000 -0.5375819 0.4457013), wk = 0.0014641 k( 68) = ( 0.4466667 -0.5457271 0.4524544), wk = 0.0014641 k( 69) = ( 0.4533333 -0.5538723 0.4592074), wk = 0.0014641 k( 70) = ( 0.4600000 -0.5620175 0.4659605), wk = 0.0014641 k( 71) = ( 0.4666667 -0.5701626 0.4727135), wk = 0.0014641 k( 72) = ( 0.4733333 -0.5783078 0.4794666), wk = 0.0014641 k( 73) = ( 0.4800000 -0.5864530 0.4862196), wk = 0.0014641 k( 74) = ( 0.4866667 -0.5945982 0.4929727), wk = 0.0014641 k( 75) = ( 0.4933333 -0.6027434 0.4997257), wk = 0.0014641 k( 76) = ( 0.5000000 -0.6108885 0.5064788), wk = 0.0014641 k( 77) = ( 0.5000000 -0.6108885 0.5064788), wk = 0.0014641 k( 78) = ( 0.5106383 -0.6057283 0.5022005), wk = 0.0014641 k( 79) = ( 0.5212766 -0.6005681 0.4979223), wk = 0.0014641 k( 80) = ( 0.5319149 -0.5954079 0.4936440), wk = 0.0014641 k( 81) = ( 0.5425532 -0.5902477 0.4893658), wk = 0.0014641 k( 82) = ( 0.5531915 -0.5850875 0.4850875), wk = 0.0014641 k( 83) = ( 0.5638298 -0.5799273 0.4808093), wk = 0.0014641 k( 84) = ( 0.5744681 -0.5747671 0.4765311), wk = 0.0014641 k( 85) = ( 0.5851064 -0.5696069 0.4722528), wk = 0.0014641 k( 86) = ( 0.5957447 -0.5644467 0.4679746), wk = 0.0014641 k( 87) = ( 0.6063830 -0.5592865 0.4636963), wk = 0.0014641 k( 88) = ( 0.6170213 -0.5541263 0.4594181), wk = 0.0014641 k( 89) = ( 0.6276596 -0.5489661 0.4551398), wk = 0.0014641 k( 90) = ( 0.6382979 -0.5438059 0.4508616), wk = 0.0014641 k( 91) = ( 0.6489362 -0.5386457 0.4465833), wk = 0.0014641 k( 92) = ( 0.6595745 -0.5334855 0.4423051), wk = 0.0014641 k( 93) = ( 0.6702128 -0.5283253 0.4380268), wk = 0.0014641 k( 94) = ( 0.6808511 -0.5231651 0.4337486), wk = 0.0014641 k( 95) = ( 0.6914894 -0.5180049 0.4294703), wk = 0.0014641 k( 96) = ( 0.7021277 -0.5128447 0.4251921), wk = 0.0014641 k( 97) = ( 0.7127660 -0.5076845 0.4209138), wk = 0.0014641 k( 98) = ( 0.7234043 -0.5025243 0.4166356), wk = 0.0014641 k( 99) = ( 0.7340425 -0.4973641 0.4123573), wk = 0.0014641 k( 100) = ( 0.7446808 -0.4922039 0.4080791), wk = 0.0014641 k( 101) = ( 0.7553192 -0.4870437 0.4038008), wk = 0.0014641 k( 102) = ( 0.7659575 -0.4818835 0.3995226), wk = 0.0014641 k( 103) = ( 0.7765957 -0.4767233 0.3952444), wk = 0.0014641 k( 104) = ( 0.7872340 -0.4715631 0.3909661), wk = 0.0014641 k( 105) = ( 0.7978723 -0.4664029 0.3866879), wk = 0.0014641 k( 106) = ( 0.8085106 -0.4612427 0.3824096), wk = 0.0014641 k( 107) = ( 0.8191489 -0.4560825 0.3781314), wk = 0.0014641 k( 108) = ( 0.8297872 -0.4509223 0.3738531), wk = 0.0014641 k( 109) = ( 0.8404255 -0.4457621 0.3695749), wk = 0.0014641 k( 110) = ( 0.8510638 -0.4406019 0.3652966), wk = 0.0014641 k( 111) = ( 0.8617021 -0.4354417 0.3610184), wk = 0.0014641 k( 112) = ( 0.8723404 -0.4302815 0.3567401), wk = 0.0014641 k( 113) = ( 0.8829787 -0.4251213 0.3524619), wk = 0.0014641 k( 114) = ( 0.8936170 -0.4199611 0.3481836), wk = 0.0014641 k( 115) = ( 0.9042553 -0.4148009 0.3439054), wk = 0.0014641 k( 116) = ( 0.9148936 -0.4096407 0.3396271), wk = 0.0014641 k( 117) = ( 0.9255319 -0.4044805 0.3353489), wk = 0.0014641 k( 118) = ( 0.9361702 -0.3993203 0.3310706), wk = 0.0014641 k( 119) = ( 0.9468085 -0.3941601 0.3267924), wk = 0.0014641 k( 120) = ( 0.9574468 -0.3889999 0.3225142), wk = 0.0014641 k( 121) = ( 0.9680851 -0.3838397 0.3182359), wk = 0.0014641 k( 122) = ( 0.9787234 -0.3786795 0.3139577), wk = 0.0014641 k( 123) = ( 0.9893617 -0.3735193 0.3096794), wk = 0.0014641 k( 124) = ( 1.0000000 -0.3683591 0.3054012), wk = 0.0014641 k( 125) = ( 1.0000000 -0.3683591 0.3054012), wk = 0.0014641 k( 126) = ( 0.9933333 -0.3602139 0.2986481), wk = 0.0014641 k( 127) = ( 0.9866667 -0.3520687 0.2918951), wk = 0.0014641 k( 128) = ( 0.9800000 -0.3439236 0.2851420), wk = 0.0014641 k( 129) = ( 0.9733333 -0.3357784 0.2783890), wk = 0.0014641 k( 130) = ( 0.9666667 -0.3276332 0.2716359), wk = 0.0014641 k( 131) = ( 0.9600000 -0.3194880 0.2648829), wk = 0.0014641 k( 132) = ( 0.9533333 -0.3113428 0.2581298), wk = 0.0014641 k( 133) = ( 0.9466667 -0.3031977 0.2513768), wk = 0.0014641 k( 134) = ( 0.9400000 -0.2950525 0.2446237), wk = 0.0014641 k( 135) = ( 0.9333333 -0.2869073 0.2378707), wk = 0.0014641 k( 136) = ( 0.9266667 -0.2787621 0.2311176), wk = 0.0014641 k( 137) = ( 0.9200000 -0.2706169 0.2243646), wk = 0.0014641 k( 138) = ( 0.9133333 -0.2624717 0.2176115), wk = 0.0014641 k( 139) = ( 0.9066667 -0.2543266 0.2108585), wk = 0.0014641 k( 140) = ( 0.9000000 -0.2461814 0.2041054), wk = 0.0014641 k( 141) = ( 0.8933333 -0.2380362 0.1973524), wk = 0.0014641 k( 142) = ( 0.8866667 -0.2298910 0.1905993), wk = 0.0014641 k( 143) = ( 0.8800000 -0.2217459 0.1838463), wk = 0.0014641 k( 144) = ( 0.8733333 -0.2136007 0.1770932), wk = 0.0014641 k( 145) = ( 0.8666667 -0.2054555 0.1703402), wk = 0.0014641 k( 146) = ( 0.8600000 -0.1973103 0.1635871), wk = 0.0014641 k( 147) = ( 0.8533333 -0.1891651 0.1568340), wk = 0.0014641 k( 148) = ( 0.8466667 -0.1810200 0.1500810), wk = 0.0014641 k( 149) = ( 0.8400000 -0.1728748 0.1433280), wk = 0.0014641 k( 150) = ( 0.8333333 -0.1647296 0.1365749), wk = 0.0014641 k( 151) = ( 0.8266667 -0.1565844 0.1298219), wk = 0.0014641 k( 152) = ( 0.8200000 -0.1484392 0.1230688), wk = 0.0014641 k( 153) = ( 0.8133333 -0.1402940 0.1163157), wk = 0.0014641 k( 154) = ( 0.8066667 -0.1321489 0.1095627), wk = 0.0014641 k( 155) = ( 0.8000000 -0.1240037 0.1028096), wk = 0.0014641 k( 156) = ( 0.7933333 -0.1158585 0.0960566), wk = 0.0014641 k( 157) = ( 0.7866667 -0.1077133 0.0893036), wk = 0.0014641 k( 158) = ( 0.7800000 -0.0995681 0.0825505), wk = 0.0014641 k( 159) = ( 0.7733333 -0.0914230 0.0757974), wk = 0.0014641 k( 160) = ( 0.7666667 -0.0832778 0.0690444), wk = 0.0014641 k( 161) = ( 0.7600000 -0.0751326 0.0622913), wk = 0.0014641 k( 162) = ( 0.7533333 -0.0669874 0.0555383), wk = 0.0014641 k( 163) = ( 0.7466667 -0.0588422 0.0487852), wk = 0.0014641 k( 164) = ( 0.7400000 -0.0506971 0.0420322), wk = 0.0014641 k( 165) = ( 0.7333333 -0.0425519 0.0352791), wk = 0.0014641 k( 166) = ( 0.7266667 -0.0344067 0.0285261), wk = 0.0014641 k( 167) = ( 0.7200000 -0.0262615 0.0217730), wk = 0.0014641 k( 168) = ( 0.7133333 -0.0181163 0.0150200), wk = 0.0014641 k( 169) = ( 0.7066667 -0.0099712 0.0082669), wk = 0.0014641 k( 170) = ( 0.7000000 -0.0018260 0.0015139), wk = 0.0014641 k( 171) = ( 0.6933333 0.0063192 -0.0052392), wk = 0.0014641 k( 172) = ( 0.6866667 0.0144644 -0.0119922), wk = 0.0014641 k( 173) = ( 0.6800000 0.0226096 -0.0187453), wk = 0.0014641 k( 174) = ( 0.6733333 0.0307547 -0.0254983), wk = 0.0014641 k( 175) = ( 0.6666667 0.0388999 -0.0322514), wk = 0.0014641 k( 176) = ( 0.6600000 0.0470451 -0.0390044), wk = 0.0014641 k( 177) = ( 0.6533333 0.0551903 -0.0457575), wk = 0.0014641 k( 178) = ( 0.6466667 0.0633355 -0.0525105), wk = 0.0014641 k( 179) = ( 0.6400000 0.0714806 -0.0592636), wk = 0.0014641 k( 180) = ( 0.6333333 0.0796258 -0.0660166), wk = 0.0014641 k( 181) = ( 0.6266667 0.0877710 -0.0727697), wk = 0.0014641 k( 182) = ( 0.6200000 0.0959162 -0.0795227), wk = 0.0014641 k( 183) = ( 0.6133333 0.1040614 -0.0862758), wk = 0.0014641 k( 184) = ( 0.6066667 0.1122065 -0.0930288), wk = 0.0014641 k( 185) = ( 0.6000000 0.1203517 -0.0997819), wk = 0.0014641 k( 186) = ( 0.5933333 0.1284969 -0.1065349), wk = 0.0014641 k( 187) = ( 0.5866667 0.1366421 -0.1132880), wk = 0.0014641 k( 188) = ( 0.5800000 0.1447873 -0.1200410), wk = 0.0014641 k( 189) = ( 0.5733333 0.1529325 -0.1267941), wk = 0.0014641 k( 190) = ( 0.5666667 0.1610776 -0.1335471), wk = 0.0014641 k( 191) = ( 0.5600000 0.1692228 -0.1403002), wk = 0.0014641 k( 192) = ( 0.5533333 0.1773680 -0.1470532), wk = 0.0014641 k( 193) = ( 0.5466667 0.1855132 -0.1538063), wk = 0.0014641 k( 194) = ( 0.5400000 0.1936584 -0.1605593), wk = 0.0014641 k( 195) = ( 0.5333333 0.2018035 -0.1673124), wk = 0.0014641 k( 196) = ( 0.5266667 0.2099487 -0.1740654), wk = 0.0014641 k( 197) = ( 0.5200000 0.2180939 -0.1808185), wk = 0.0014641 k( 198) = ( 0.5133333 0.2262391 -0.1875715), wk = 0.0014641 k( 199) = ( 0.5066667 0.2343843 -0.1943246), wk = 0.0014641 k( 200) = ( 0.5000000 0.2425294 -0.2010776), wk = 0.0014641 k( 201) = ( 0.5000000 0.2425294 -0.2010776), wk = 0.0014641 k( 202) = ( 0.4893617 0.2373692 -0.1967994), wk = 0.0014641 k( 203) = ( 0.4787234 0.2322090 -0.1925211), wk = 0.0014641 k( 204) = ( 0.4680851 0.2270488 -0.1882429), wk = 0.0014641 k( 205) = ( 0.4574468 0.2218886 -0.1839646), wk = 0.0014641 k( 206) = ( 0.4468085 0.2167284 -0.1796864), wk = 0.0014641 k( 207) = ( 0.4361702 0.2115682 -0.1754081), wk = 0.0014641 k( 208) = ( 0.4255319 0.2064080 -0.1711299), wk = 0.0014641 k( 209) = ( 0.4148936 0.2012478 -0.1668516), wk = 0.0014641 k( 210) = ( 0.4042553 0.1960876 -0.1625734), wk = 0.0014641 k( 211) = ( 0.3936170 0.1909274 -0.1582951), wk = 0.0014641 k( 212) = ( 0.3829787 0.1857672 -0.1540169), wk = 0.0014641 k( 213) = ( 0.3723404 0.1806070 -0.1497387), wk = 0.0014641 k( 214) = ( 0.3617021 0.1754468 -0.1454604), wk = 0.0014641 k( 215) = ( 0.3510638 0.1702866 -0.1411822), wk = 0.0014641 k( 216) = ( 0.3404255 0.1651264 -0.1369039), wk = 0.0014641 k( 217) = ( 0.3297872 0.1599662 -0.1326257), wk = 0.0014641 k( 218) = ( 0.3191489 0.1548060 -0.1283474), wk = 0.0014641 k( 219) = ( 0.3085106 0.1496458 -0.1240692), wk = 0.0014641 k( 220) = ( 0.2978723 0.1444856 -0.1197909), wk = 0.0014641 k( 221) = ( 0.2872340 0.1393254 -0.1155127), wk = 0.0014641 k( 222) = ( 0.2765957 0.1341652 -0.1112344), wk = 0.0014641 k( 223) = ( 0.2659574 0.1290050 -0.1069562), wk = 0.0014641 k( 224) = ( 0.2553191 0.1238448 -0.1026779), wk = 0.0014641 k( 225) = ( 0.2446809 0.1186846 -0.0983997), wk = 0.0014641 k( 226) = ( 0.2340425 0.1135244 -0.0941214), wk = 0.0014641 k( 227) = ( 0.2234043 0.1083642 -0.0898432), wk = 0.0014641 k( 228) = ( 0.2127660 0.1032040 -0.0855649), wk = 0.0014641 k( 229) = ( 0.2021277 0.0980438 -0.0812867), wk = 0.0014641 k( 230) = ( 0.1914894 0.0928836 -0.0770084), wk = 0.0014641 k( 231) = ( 0.1808511 0.0877234 -0.0727302), wk = 0.0014641 k( 232) = ( 0.1702128 0.0825632 -0.0684520), wk = 0.0014641 k( 233) = ( 0.1595745 0.0774030 -0.0641737), wk = 0.0014641 k( 234) = ( 0.1489362 0.0722428 -0.0598955), wk = 0.0014641 k( 235) = ( 0.1382979 0.0670826 -0.0556172), wk = 0.0014641 k( 236) = ( 0.1276596 0.0619224 -0.0513390), wk = 0.0014641 k( 237) = ( 0.1170213 0.0567622 -0.0470607), wk = 0.0014641 k( 238) = ( 0.1063830 0.0516020 -0.0427825), wk = 0.0014641 k( 239) = ( 0.0957447 0.0464418 -0.0385042), wk = 0.0014641 k( 240) = ( 0.0851064 0.0412816 -0.0342260), wk = 0.0014641 k( 241) = ( 0.0744681 0.0361214 -0.0299477), wk = 0.0014641 k( 242) = ( 0.0638298 0.0309612 -0.0256695), wk = 0.0014641 k( 243) = ( 0.0531915 0.0258010 -0.0213912), wk = 0.0014641 k( 244) = ( 0.0425532 0.0206408 -0.0171130), wk = 0.0014641 k( 245) = ( 0.0319149 0.0154806 -0.0128347), wk = 0.0014641 k( 246) = ( 0.0212766 0.0103204 -0.0085565), wk = 0.0014641 k( 247) = ( 0.0106383 0.0051602 -0.0042782), wk = 0.0014641 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 250) = ( 0.0000000 0.0080002 0.0096495), wk = 0.0014641 k( 251) = ( 0.0000000 0.0160005 0.0192989), wk = 0.0014641 k( 252) = ( 0.0000000 0.0240007 0.0289484), wk = 0.0014641 k( 253) = ( 0.0000000 0.0320010 0.0385979), wk = 0.0014641 k( 254) = ( 0.0000000 0.0400012 0.0482474), wk = 0.0014641 k( 255) = ( 0.0000000 0.0480014 0.0578968), wk = 0.0014641 k( 256) = ( 0.0000000 0.0560017 0.0675463), wk = 0.0014641 k( 257) = ( 0.0000000 0.0640019 0.0771958), wk = 0.0014641 k( 258) = ( 0.0000000 0.0720021 0.0868453), wk = 0.0014641 k( 259) = ( 0.0000000 0.0800024 0.0964947), wk = 0.0014641 k( 260) = ( 0.0000000 0.0880026 0.1061442), wk = 0.0014641 k( 261) = ( 0.0000000 0.0960028 0.1157937), wk = 0.0014641 k( 262) = ( 0.0000000 0.1040031 0.1254431), wk = 0.0014641 k( 263) = ( 0.0000000 0.1120033 0.1350926), wk = 0.0014641 k( 264) = ( 0.0000000 0.1200036 0.1447421), wk = 0.0014641 k( 265) = ( 0.0000000 0.1280038 0.1543916), wk = 0.0014641 k( 266) = ( 0.0000000 0.1360040 0.1640410), wk = 0.0014641 k( 267) = ( 0.0000000 0.1440043 0.1736905), wk = 0.0014641 k( 268) = ( 0.0000000 0.1520045 0.1833400), wk = 0.0014641 k( 269) = ( 0.0000000 0.1600047 0.1929894), wk = 0.0014641 k( 270) = ( 0.0000000 0.1680050 0.2026389), wk = 0.0014641 k( 271) = ( 0.0000000 0.1760052 0.2122884), wk = 0.0014641 k( 272) = ( 0.0000000 0.1840054 0.2219379), wk = 0.0014641 k( 273) = ( 0.0000000 0.1920057 0.2315873), wk = 0.0014641 k( 274) = ( 0.0000000 0.2000059 0.2412368), wk = 0.0014641 k( 275) = ( 0.0000000 0.2080062 0.2508863), wk = 0.0014641 k( 276) = ( 0.0000000 0.2160064 0.2605358), wk = 0.0014641 k( 277) = ( 0.0000000 0.2240066 0.2701852), wk = 0.0014641 k( 278) = ( 0.0000000 0.2320069 0.2798347), wk = 0.0014641 k( 279) = ( 0.0000000 0.2400071 0.2894842), wk = 0.0014641 k( 280) = ( 0.0000000 0.2480073 0.2991336), wk = 0.0014641 k( 281) = ( 0.0000000 0.2560076 0.3087831), wk = 0.0014641 k( 282) = ( 0.0000000 0.2640078 0.3184326), wk = 0.0014641 k( 283) = ( 0.0000000 0.2720081 0.3280821), wk = 0.0014641 k( 284) = ( 0.0000000 0.2800083 0.3377315), wk = 0.0014641 k( 285) = ( 0.0000000 0.2880085 0.3473810), wk = 0.0014641 k( 286) = ( 0.0000000 0.2960088 0.3570305), wk = 0.0014641 k( 287) = ( 0.0000000 0.3040090 0.3666799), wk = 0.0014641 k( 288) = ( 0.0000000 0.3120093 0.3763294), wk = 0.0014641 k( 289) = ( 0.0000000 0.3200095 0.3859789), wk = 0.0014641 k( 290) = ( 0.0000000 0.3280097 0.3956284), wk = 0.0014641 k( 291) = ( 0.0000000 0.3360100 0.4052778), wk = 0.0014641 k( 292) = ( 0.0000000 0.3440102 0.4149273), wk = 0.0014641 k( 293) = ( 0.0000000 0.3520104 0.4245768), wk = 0.0014641 k( 294) = ( 0.0000000 0.3600107 0.4342263), wk = 0.0014641 k( 295) = ( 0.0000000 0.3680109 0.4438757), wk = 0.0014641 k( 296) = ( 0.0000000 0.3760111 0.4535252), wk = 0.0014641 k( 297) = ( 0.0000000 0.3840114 0.4631747), wk = 0.0014641 k( 298) = ( 0.0000000 0.3920116 0.4728242), wk = 0.0014641 k( 299) = ( 0.0000000 0.4000119 0.4824736), wk = 0.0014641 k( 300) = ( 0.0000000 0.4080121 0.4921231), wk = 0.0014641 k( 301) = ( 0.0000000 0.4160123 0.5017726), wk = 0.0014641 k( 302) = ( 0.0000000 0.4240126 0.5114220), wk = 0.0014641 k( 303) = ( 0.0000000 0.4320128 0.5210715), wk = 0.0014641 k( 304) = ( 0.0000000 0.4400130 0.5307210), wk = 0.0014641 k( 305) = ( 0.0000000 0.4480133 0.5403705), wk = 0.0014641 k( 306) = ( 0.0000000 0.4560135 0.5500199), wk = 0.0014641 k( 307) = ( 0.0000000 0.4640137 0.5596694), wk = 0.0014641 k( 308) = ( 0.0000000 0.4720140 0.5693189), wk = 0.0014641 k( 309) = ( 0.0000000 0.4800142 0.5789683), wk = 0.0014641 k( 310) = ( 0.0000000 0.4880145 0.5886178), wk = 0.0014641 k( 311) = ( 0.0000000 0.4960147 0.5982673), wk = 0.0014641 k( 312) = ( 0.0000000 0.5040149 0.6079168), wk = 0.0014641 k( 313) = ( 0.0000000 0.5120152 0.6175662), wk = 0.0014641 k( 314) = ( 0.0000000 0.5200154 0.6272157), wk = 0.0014641 k( 315) = ( 0.0000000 0.5280157 0.6368652), wk = 0.0014641 k( 316) = ( 0.0000000 0.5360159 0.6465147), wk = 0.0014641 k( 317) = ( 0.0000000 0.5440161 0.6561641), wk = 0.0014641 k( 318) = ( 0.0000000 0.5520164 0.6658136), wk = 0.0014641 k( 319) = ( 0.0000000 0.5600166 0.6754631), wk = 0.0014641 k( 320) = ( 0.0000000 0.5680168 0.6851126), wk = 0.0014641 k( 321) = ( 0.0000000 0.5760171 0.6947620), wk = 0.0014641 k( 322) = ( 0.0000000 0.5840173 0.7044115), wk = 0.0014641 k( 323) = ( 0.0000000 0.5920175 0.7140610), wk = 0.0014641 k( 324) = ( 0.0000000 0.6000178 0.7237104), wk = 0.0014641 k( 325) = ( 0.0000000 0.6080180 0.7333599), wk = 0.0014641 k( 326) = ( 0.0000000 0.6160183 0.7430094), wk = 0.0014641 k( 327) = ( 0.0000000 0.6240185 0.7526588), wk = 0.0014641 k( 328) = ( 0.0000000 0.6320187 0.7623083), wk = 0.0014641 k( 329) = ( 0.0000000 0.6400190 0.7719578), wk = 0.0014641 k( 330) = ( 0.0000000 0.6480192 0.7816073), wk = 0.0014641 k( 331) = ( 0.0000000 0.6560194 0.7912567), wk = 0.0014641 k( 332) = ( 0.0000000 0.6640197 0.8009062), wk = 0.0014641 k( 333) = ( 0.0000000 0.6720199 0.8105557), wk = 0.0014641 k( 334) = ( 0.0000000 0.6800201 0.8202052), wk = 0.0014641 k( 335) = ( 0.0000000 0.6880204 0.8298546), wk = 0.0014641 k( 336) = ( 0.0000000 0.6960206 0.8395041), wk = 0.0014641 k( 337) = ( 0.0000000 0.7040209 0.8491536), wk = 0.0014641 k( 338) = ( 0.0000000 0.7120211 0.8588031), wk = 0.0014641 k( 339) = ( 0.0000000 0.7200213 0.8684525), wk = 0.0014641 k( 340) = ( 0.0000000 0.7200213 0.8684525), wk = 0.0014641 k( 341) = ( 0.0054348 0.7088170 0.8684525), wk = 0.0014641 k( 342) = ( 0.0108696 0.6976126 0.8684525), wk = 0.0014641 k( 343) = ( 0.0163043 0.6864082 0.8684525), wk = 0.0014641 k( 344) = ( 0.0217391 0.6752038 0.8684525), wk = 0.0014641 k( 345) = ( 0.0271739 0.6639995 0.8684525), wk = 0.0014641 k( 346) = ( 0.0326087 0.6527951 0.8684525), wk = 0.0014641 k( 347) = ( 0.0380435 0.6415907 0.8684525), wk = 0.0014641 k( 348) = ( 0.0434783 0.6303863 0.8684525), wk = 0.0014641 k( 349) = ( 0.0489130 0.6191819 0.8684525), wk = 0.0014641 k( 350) = ( 0.0543478 0.6079776 0.8684525), wk = 0.0014641 k( 351) = ( 0.0597826 0.5967732 0.8684525), wk = 0.0014641 k( 352) = ( 0.0652174 0.5855688 0.8684525), wk = 0.0014641 k( 353) = ( 0.0706522 0.5743644 0.8684525), wk = 0.0014641 k( 354) = ( 0.0760870 0.5631601 0.8684525), wk = 0.0014641 k( 355) = ( 0.0815217 0.5519557 0.8684525), wk = 0.0014641 k( 356) = ( 0.0869565 0.5407513 0.8684525), wk = 0.0014641 k( 357) = ( 0.0923913 0.5295469 0.8684525), wk = 0.0014641 k( 358) = ( 0.0978261 0.5183425 0.8684525), wk = 0.0014641 k( 359) = ( 0.1032609 0.5071382 0.8684525), wk = 0.0014641 k( 360) = ( 0.1086957 0.4959338 0.8684525), wk = 0.0014641 k( 361) = ( 0.1141304 0.4847294 0.8684525), wk = 0.0014641 k( 362) = ( 0.1195652 0.4735250 0.8684525), wk = 0.0014641 k( 363) = ( 0.1250000 0.4623207 0.8684525), wk = 0.0014641 k( 364) = ( 0.1304348 0.4511163 0.8684525), wk = 0.0014641 k( 365) = ( 0.1358696 0.4399119 0.8684525), wk = 0.0014641 k( 366) = ( 0.1413043 0.4287075 0.8684525), wk = 0.0014641 k( 367) = ( 0.1467391 0.4175032 0.8684525), wk = 0.0014641 k( 368) = ( 0.1521739 0.4062988 0.8684525), wk = 0.0014641 k( 369) = ( 0.1576087 0.3950944 0.8684525), wk = 0.0014641 k( 370) = ( 0.1630435 0.3838900 0.8684525), wk = 0.0014641 k( 371) = ( 0.1684783 0.3726856 0.8684525), wk = 0.0014641 k( 372) = ( 0.1739130 0.3614813 0.8684525), wk = 0.0014641 k( 373) = ( 0.1793478 0.3502769 0.8684525), wk = 0.0014641 k( 374) = ( 0.1847826 0.3390725 0.8684525), wk = 0.0014641 k( 375) = ( 0.1902174 0.3278681 0.8684525), wk = 0.0014641 k( 376) = ( 0.1956522 0.3166638 0.8684525), wk = 0.0014641 k( 377) = ( 0.2010870 0.3054594 0.8684525), wk = 0.0014641 k( 378) = ( 0.2065217 0.2942550 0.8684525), wk = 0.0014641 k( 379) = ( 0.2119565 0.2830506 0.8684525), wk = 0.0014641 k( 380) = ( 0.2173913 0.2718462 0.8684525), wk = 0.0014641 k( 381) = ( 0.2228261 0.2606419 0.8684525), wk = 0.0014641 k( 382) = ( 0.2282609 0.2494375 0.8684525), wk = 0.0014641 k( 383) = ( 0.2336957 0.2382331 0.8684525), wk = 0.0014641 k( 384) = ( 0.2391304 0.2270287 0.8684525), wk = 0.0014641 k( 385) = ( 0.2445652 0.2158244 0.8684525), wk = 0.0014641 k( 386) = ( 0.2500000 0.2046200 0.8684525), wk = 0.0014641 k( 387) = ( 0.2554348 0.1934156 0.8684525), wk = 0.0014641 k( 388) = ( 0.2608696 0.1822112 0.8684525), wk = 0.0014641 k( 389) = ( 0.2663044 0.1710068 0.8684525), wk = 0.0014641 k( 390) = ( 0.2717391 0.1598025 0.8684525), wk = 0.0014641 k( 391) = ( 0.2771739 0.1485981 0.8684525), wk = 0.0014641 k( 392) = ( 0.2826087 0.1373937 0.8684525), wk = 0.0014641 k( 393) = ( 0.2880435 0.1261893 0.8684525), wk = 0.0014641 k( 394) = ( 0.2934783 0.1149850 0.8684525), wk = 0.0014641 k( 395) = ( 0.2989130 0.1037806 0.8684525), wk = 0.0014641 k( 396) = ( 0.3043478 0.0925762 0.8684525), wk = 0.0014641 k( 397) = ( 0.3097826 0.0813718 0.8684525), wk = 0.0014641 k( 398) = ( 0.3152174 0.0701675 0.8684525), wk = 0.0014641 k( 399) = ( 0.3206522 0.0589631 0.8684525), wk = 0.0014641 k( 400) = ( 0.3260870 0.0477587 0.8684525), wk = 0.0014641 k( 401) = ( 0.3315217 0.0365543 0.8684525), wk = 0.0014641 k( 402) = ( 0.3369565 0.0253500 0.8684525), wk = 0.0014641 k( 403) = ( 0.3423913 0.0141456 0.8684525), wk = 0.0014641 k( 404) = ( 0.3478261 0.0029412 0.8684525), wk = 0.0014641 k( 405) = ( 0.3532609 -0.0082632 0.8684525), wk = 0.0014641 k( 406) = ( 0.3586956 -0.0194676 0.8684525), wk = 0.0014641 k( 407) = ( 0.3641304 -0.0306719 0.8684525), wk = 0.0014641 k( 408) = ( 0.3695652 -0.0418763 0.8684525), wk = 0.0014641 k( 409) = ( 0.3750000 -0.0530807 0.8684525), wk = 0.0014641 k( 410) = ( 0.3804348 -0.0642851 0.8684525), wk = 0.0014641 k( 411) = ( 0.3858696 -0.0754895 0.8684525), wk = 0.0014641 k( 412) = ( 0.3913044 -0.0866938 0.8684525), wk = 0.0014641 k( 413) = ( 0.3967391 -0.0978982 0.8684525), wk = 0.0014641 k( 414) = ( 0.4021739 -0.1091026 0.8684525), wk = 0.0014641 k( 415) = ( 0.4076087 -0.1203070 0.8684525), wk = 0.0014641 k( 416) = ( 0.4130435 -0.1315113 0.8684525), wk = 0.0014641 k( 417) = ( 0.4184783 -0.1427157 0.8684525), wk = 0.0014641 k( 418) = ( 0.4239130 -0.1539201 0.8684525), wk = 0.0014641 k( 419) = ( 0.4293478 -0.1651245 0.8684525), wk = 0.0014641 k( 420) = ( 0.4347826 -0.1763289 0.8684525), wk = 0.0014641 k( 421) = ( 0.4402174 -0.1875332 0.8684525), wk = 0.0014641 k( 422) = ( 0.4456522 -0.1987376 0.8684525), wk = 0.0014641 k( 423) = ( 0.4510870 -0.2099420 0.8684525), wk = 0.0014641 k( 424) = ( 0.4565217 -0.2211464 0.8684525), wk = 0.0014641 k( 425) = ( 0.4619565 -0.2323507 0.8684525), wk = 0.0014641 k( 426) = ( 0.4673913 -0.2435551 0.8684525), wk = 0.0014641 k( 427) = ( 0.4728261 -0.2547595 0.8684525), wk = 0.0014641 k( 428) = ( 0.4782609 -0.2659639 0.8684525), wk = 0.0014641 k( 429) = ( 0.4836956 -0.2771682 0.8684525), wk = 0.0014641 k( 430) = ( 0.4891304 -0.2883726 0.8684525), wk = 0.0014641 k( 431) = ( 0.4945652 -0.2995770 0.8684525), wk = 0.0014641 k( 432) = ( 0.5000000 -0.3107814 0.8684525), wk = 0.0014641 k( 433) = ( 0.5000000 -0.3107814 0.8684525), wk = 0.0014641 k( 434) = ( 0.5000000 -0.3186789 0.8589269), wk = 0.0014641 k( 435) = ( 0.5000000 -0.3265765 0.8494013), wk = 0.0014641 k( 436) = ( 0.5000000 -0.3344740 0.8398757), wk = 0.0014641 k( 437) = ( 0.5000000 -0.3423716 0.8303500), wk = 0.0014641 k( 438) = ( 0.5000000 -0.3502692 0.8208244), wk = 0.0014641 k( 439) = ( 0.5000000 -0.3581667 0.8112988), wk = 0.0014641 k( 440) = ( 0.5000000 -0.3660643 0.8017732), wk = 0.0014641 k( 441) = ( 0.5000000 -0.3739618 0.7922475), wk = 0.0014641 k( 442) = ( 0.5000000 -0.3818594 0.7827219), wk = 0.0014641 k( 443) = ( 0.5000000 -0.3897569 0.7731963), wk = 0.0014641 k( 444) = ( 0.5000000 -0.3976545 0.7636707), wk = 0.0014641 k( 445) = ( 0.5000000 -0.4055521 0.7541450), wk = 0.0014641 k( 446) = ( 0.5000000 -0.4134496 0.7446194), wk = 0.0014641 k( 447) = ( 0.5000000 -0.4213472 0.7350938), wk = 0.0014641 k( 448) = ( 0.5000000 -0.4292447 0.7255682), wk = 0.0014641 k( 449) = ( 0.5000000 -0.4371423 0.7160425), wk = 0.0014641 k( 450) = ( 0.5000000 -0.4450398 0.7065169), wk = 0.0014641 k( 451) = ( 0.5000000 -0.4529374 0.6969913), wk = 0.0014641 k( 452) = ( 0.5000000 -0.4608350 0.6874657), wk = 0.0014641 k( 453) = ( 0.5000000 -0.4687325 0.6779400), wk = 0.0014641 k( 454) = ( 0.5000000 -0.4766301 0.6684144), wk = 0.0014641 k( 455) = ( 0.5000000 -0.4845276 0.6588888), wk = 0.0014641 k( 456) = ( 0.5000000 -0.4924252 0.6493632), wk = 0.0014641 k( 457) = ( 0.5000000 -0.5003227 0.6398375), wk = 0.0014641 k( 458) = ( 0.5000000 -0.5082203 0.6303119), wk = 0.0014641 k( 459) = ( 0.5000000 -0.5161179 0.6207863), wk = 0.0014641 k( 460) = ( 0.5000000 -0.5240154 0.6112607), wk = 0.0014641 k( 461) = ( 0.5000000 -0.5319130 0.6017350), wk = 0.0014641 k( 462) = ( 0.5000000 -0.5398105 0.5922094), wk = 0.0014641 k( 463) = ( 0.5000000 -0.5477081 0.5826838), wk = 0.0014641 k( 464) = ( 0.5000000 -0.5556056 0.5731582), wk = 0.0014641 k( 465) = ( 0.5000000 -0.5635032 0.5636325), wk = 0.0014641 k( 466) = ( 0.5000000 -0.5714007 0.5541069), wk = 0.0014641 k( 467) = ( 0.5000000 -0.5792983 0.5445813), wk = 0.0014641 k( 468) = ( 0.5000000 -0.5871959 0.5350557), wk = 0.0014641 k( 469) = ( 0.5000000 -0.5950934 0.5255300), wk = 0.0014641 k( 470) = ( 0.5000000 -0.6029910 0.5160044), wk = 0.0014641 k( 471) = ( 0.5000000 -0.6108885 0.5064788), wk = 0.0014641 k( 472) = ( 1.0000000 -0.3683591 0.3054012), wk = 0.0014641 k( 473) = ( 1.0000000 -0.3605122 0.3148656), wk = 0.0014641 k( 474) = ( 1.0000000 -0.3526654 0.3243301), wk = 0.0014641 k( 475) = ( 1.0000000 -0.3448185 0.3337946), wk = 0.0014641 k( 476) = ( 1.0000000 -0.3369717 0.3432591), wk = 0.0014641 k( 477) = ( 1.0000000 -0.3291248 0.3527236), wk = 0.0014641 k( 478) = ( 1.0000000 -0.3212779 0.3621880), wk = 0.0014641 k( 479) = ( 1.0000000 -0.3134311 0.3716525), wk = 0.0014641 k( 480) = ( 1.0000000 -0.3055842 0.3811170), wk = 0.0014641 k( 481) = ( 1.0000000 -0.2977373 0.3905815), wk = 0.0014641 k( 482) = ( 1.0000000 -0.2898905 0.4000459), wk = 0.0014641 k( 483) = ( 1.0000000 -0.2820436 0.4095104), wk = 0.0014641 k( 484) = ( 1.0000000 -0.2741968 0.4189749), wk = 0.0014641 k( 485) = ( 1.0000000 -0.2663499 0.4284394), wk = 0.0014641 k( 486) = ( 1.0000000 -0.2585030 0.4379039), wk = 0.0014641 k( 487) = ( 1.0000000 -0.2506562 0.4473683), wk = 0.0014641 k( 488) = ( 1.0000000 -0.2428093 0.4568328), wk = 0.0014641 k( 489) = ( 1.0000000 -0.2349625 0.4662973), wk = 0.0014641 k( 490) = ( 0.0000000 0.7200213 0.8684525), wk = 0.0014641 k( 491) = ( 0.0096154 0.7214794 0.8607188), wk = 0.0014641 k( 492) = ( 0.0192308 0.7229375 0.8529850), wk = 0.0014641 k( 493) = ( 0.0288462 0.7243955 0.8452513), wk = 0.0014641 k( 494) = ( 0.0384615 0.7258536 0.8375175), wk = 0.0014641 k( 495) = ( 0.0480769 0.7273116 0.8297838), wk = 0.0014641 k( 496) = ( 0.0576923 0.7287697 0.8220500), wk = 0.0014641 k( 497) = ( 0.0673077 0.7302277 0.8143162), wk = 0.0014641 k( 498) = ( 0.0769231 0.7316858 0.8065825), wk = 0.0014641 k( 499) = ( 0.0865385 0.7331438 0.7988487), wk = 0.0014641 k( 500) = ( 0.0961538 0.7346019 0.7911150), wk = 0.0014641 k( 501) = ( 0.1057692 0.7360599 0.7833812), wk = 0.0014641 k( 502) = ( 0.1153846 0.7375180 0.7756475), wk = 0.0014641 k( 503) = ( 0.1250000 0.7389761 0.7679137), wk = 0.0014641 k( 504) = ( 0.1346154 0.7404341 0.7601800), wk = 0.0014641 k( 505) = ( 0.1442308 0.7418922 0.7524462), wk = 0.0014641 k( 506) = ( 0.1538461 0.7433502 0.7447125), wk = 0.0014641 k( 507) = ( 0.1634615 0.7448083 0.7369787), wk = 0.0014641 k( 508) = ( 0.1730769 0.7462664 0.7292449), wk = 0.0014641 k( 509) = ( 0.1826923 0.7477244 0.7215112), wk = 0.0014641 k( 510) = ( 0.1923077 0.7491825 0.7137774), wk = 0.0014641 k( 511) = ( 0.2019231 0.7506405 0.7060437), wk = 0.0014641 k( 512) = ( 0.2115385 0.7520986 0.6983099), wk = 0.0014641 k( 513) = ( 0.2211539 0.7535566 0.6905762), wk = 0.0014641 k( 514) = ( 0.2307692 0.7550147 0.6828424), wk = 0.0014641 k( 515) = ( 0.2403846 0.7564727 0.6751087), wk = 0.0014641 k( 516) = ( 0.2500000 0.7579308 0.6673749), wk = 0.0014641 k( 517) = ( 0.2596154 0.7593888 0.6596412), wk = 0.0014641 k( 518) = ( 0.2692308 0.7608469 0.6519074), wk = 0.0014641 k( 519) = ( 0.2788462 0.7623050 0.6441736), wk = 0.0014641 k( 520) = ( 0.2884615 0.7637630 0.6364399), wk = 0.0014641 k( 521) = ( 0.2980769 0.7652211 0.6287061), wk = 0.0014641 k( 522) = ( 0.3076923 0.7666791 0.6209724), wk = 0.0014641 k( 523) = ( 0.3173077 0.7681372 0.6132386), wk = 0.0014641 k( 524) = ( 0.3269231 0.7695952 0.6055049), wk = 0.0014641 k( 525) = ( 0.3365385 0.7710533 0.5977711), wk = 0.0014641 k( 526) = ( 0.3461538 0.7725113 0.5900373), wk = 0.0014641 k( 527) = ( 0.3557692 0.7739694 0.5823036), wk = 0.0014641 k( 528) = ( 0.3653846 0.7754274 0.5745698), wk = 0.0014641 k( 529) = ( 0.3750000 0.7768855 0.5668361), wk = 0.0014641 k( 530) = ( 0.3846154 0.7783436 0.5591023), wk = 0.0014641 k( 531) = ( 0.3942308 0.7798016 0.5513686), wk = 0.0014641 k( 532) = ( 0.4038462 0.7812597 0.5436348), wk = 0.0014641 k( 533) = ( 0.4134615 0.7827177 0.5359011), wk = 0.0014641 k( 534) = ( 0.4230769 0.7841758 0.5281673), wk = 0.0014641 k( 535) = ( 0.4326923 0.7856339 0.5204336), wk = 0.0014641 k( 536) = ( 0.4423077 0.7870919 0.5126998), wk = 0.0014641 k( 537) = ( 0.4519231 0.7885500 0.5049661), wk = 0.0014641 k( 538) = ( 0.4615385 0.7900080 0.4972323), wk = 0.0014641 k( 539) = ( 0.4711538 0.7914661 0.4894985), wk = 0.0014641 k( 540) = ( 0.4807692 0.7929241 0.4817648), wk = 0.0014641 k( 541) = ( 0.4903846 0.7943822 0.4740310), wk = 0.0014641 k( 542) = ( 0.5000000 0.7958402 0.4662973), wk = 0.0014641 k( 543) = ( 0.5000000 0.7958402 0.4662973), wk = 0.0014641 k( 544) = ( 0.5000000 0.7878213 0.4566252), wk = 0.0014641 k( 545) = ( 0.5000000 0.7798023 0.4469531), wk = 0.0014641 k( 546) = ( 0.5000000 0.7717833 0.4372810), wk = 0.0014641 k( 547) = ( 0.5000000 0.7637643 0.4276089), wk = 0.0014641 k( 548) = ( 0.5000000 0.7557453 0.4179368), wk = 0.0014641 k( 549) = ( 0.5000000 0.7477263 0.4082647), wk = 0.0014641 k( 550) = ( 0.5000000 0.7397073 0.3985926), wk = 0.0014641 k( 551) = ( 0.5000000 0.7316883 0.3889205), wk = 0.0014641 k( 552) = ( 0.5000000 0.7236693 0.3792484), wk = 0.0014641 k( 553) = ( 0.5000000 0.7156503 0.3695763), wk = 0.0014641 k( 554) = ( 0.5000000 0.7076313 0.3599042), wk = 0.0014641 k( 555) = ( 0.5000000 0.6996123 0.3502321), wk = 0.0014641 k( 556) = ( 0.5000000 0.6915933 0.3405600), wk = 0.0014641 k( 557) = ( 0.5000000 0.6835743 0.3308879), wk = 0.0014641 k( 558) = ( 0.5000000 0.6755553 0.3212158), wk = 0.0014641 k( 559) = ( 0.5000000 0.6675363 0.3115437), wk = 0.0014641 k( 560) = ( 0.5000000 0.6595173 0.3018716), wk = 0.0014641 k( 561) = ( 0.5000000 0.6514983 0.2921995), wk = 0.0014641 k( 562) = ( 0.5000000 0.6434793 0.2825274), wk = 0.0014641 k( 563) = ( 0.5000000 0.6354603 0.2728553), wk = 0.0014641 k( 564) = ( 0.5000000 0.6274413 0.2631832), wk = 0.0014641 k( 565) = ( 0.5000000 0.6194223 0.2535111), wk = 0.0014641 k( 566) = ( 0.5000000 0.6114033 0.2438390), wk = 0.0014641 k( 567) = ( 0.5000000 0.6033843 0.2341669), wk = 0.0014641 k( 568) = ( 0.5000000 0.5953653 0.2244948), wk = 0.0014641 k( 569) = ( 0.5000000 0.5873463 0.2148227), wk = 0.0014641 k( 570) = ( 0.5000000 0.5793273 0.2051506), wk = 0.0014641 k( 571) = ( 0.5000000 0.5713083 0.1954785), wk = 0.0014641 k( 572) = ( 0.5000000 0.5632893 0.1858064), wk = 0.0014641 k( 573) = ( 0.5000000 0.5552703 0.1761343), wk = 0.0014641 k( 574) = ( 0.5000000 0.5472513 0.1664622), wk = 0.0014641 k( 575) = ( 0.5000000 0.5392323 0.1567901), wk = 0.0014641 k( 576) = ( 0.5000000 0.5312133 0.1471180), wk = 0.0014641 k( 577) = ( 0.5000000 0.5231943 0.1374459), wk = 0.0014641 k( 578) = ( 0.5000000 0.5151753 0.1277738), wk = 0.0014641 k( 579) = ( 0.5000000 0.5071563 0.1181017), wk = 0.0014641 k( 580) = ( 0.5000000 0.4991374 0.1084296), wk = 0.0014641 k( 581) = ( 0.5000000 0.4911183 0.0987575), wk = 0.0014641 k( 582) = ( 0.5000000 0.4830994 0.0890854), wk = 0.0014641 k( 583) = ( 0.5000000 0.4750804 0.0794133), wk = 0.0014641 k( 584) = ( 0.5000000 0.4670614 0.0697412), wk = 0.0014641 k( 585) = ( 0.5000000 0.4590424 0.0600691), wk = 0.0014641 k( 586) = ( 0.5000000 0.4510234 0.0503970), wk = 0.0014641 k( 587) = ( 0.5000000 0.4430044 0.0407249), wk = 0.0014641 k( 588) = ( 0.5000000 0.4349854 0.0310528), wk = 0.0014641 k( 589) = ( 0.5000000 0.4269664 0.0213807), wk = 0.0014641 k( 590) = ( 0.5000000 0.4189474 0.0117086), wk = 0.0014641 k( 591) = ( 0.5000000 0.4109284 0.0020365), wk = 0.0014641 k( 592) = ( 0.5000000 0.4029094 -0.0076356), wk = 0.0014641 k( 593) = ( 0.5000000 0.3948904 -0.0173077), wk = 0.0014641 k( 594) = ( 0.5000000 0.3868714 -0.0269798), wk = 0.0014641 k( 595) = ( 0.5000000 0.3788524 -0.0366519), wk = 0.0014641 k( 596) = ( 0.5000000 0.3708334 -0.0463240), wk = 0.0014641 k( 597) = ( 0.5000000 0.3628144 -0.0559961), wk = 0.0014641 k( 598) = ( 0.5000000 0.3547954 -0.0656682), wk = 0.0014641 k( 599) = ( 0.5000000 0.3467764 -0.0753403), wk = 0.0014641 k( 600) = ( 0.5000000 0.3387574 -0.0850124), wk = 0.0014641 k( 601) = ( 0.5000000 0.3307384 -0.0946845), wk = 0.0014641 k( 602) = ( 0.5000000 0.3227194 -0.1043566), wk = 0.0014641 k( 603) = ( 0.5000000 0.3147004 -0.1140287), wk = 0.0014641 k( 604) = ( 0.5000000 0.3066814 -0.1237008), wk = 0.0014641 k( 605) = ( 0.5000000 0.2986624 -0.1333729), wk = 0.0014641 k( 606) = ( 0.5000000 0.2906434 -0.1430450), wk = 0.0014641 k( 607) = ( 0.5000000 0.2826244 -0.1527171), wk = 0.0014641 k( 608) = ( 0.5000000 0.2746054 -0.1623892), wk = 0.0014641 k( 609) = ( 0.5000000 0.2665864 -0.1720613), wk = 0.0014641 k( 610) = ( 0.5000000 0.2585674 -0.1817334), wk = 0.0014641 k( 611) = ( 0.5000000 0.2505484 -0.1914055), wk = 0.0014641 k( 612) = ( 0.5000000 0.2425294 -0.2010776), wk = 0.0014641 k( 613) = ( 0.5000000 0.2425294 0.6673749), wk = 0.0014641 k( 614) = ( 0.4928571 0.2390647 0.6578410), wk = 0.0014641 k( 615) = ( 0.4857143 0.2356000 0.6483071), wk = 0.0014641 k( 616) = ( 0.4785714 0.2321353 0.6387731), wk = 0.0014641 k( 617) = ( 0.4714286 0.2286706 0.6292392), wk = 0.0014641 k( 618) = ( 0.4642857 0.2252059 0.6197053), wk = 0.0014641 k( 619) = ( 0.4571429 0.2217412 0.6101713), wk = 0.0014641 k( 620) = ( 0.4500000 0.2182765 0.6006374), wk = 0.0014641 k( 621) = ( 0.4428571 0.2148118 0.5911035), wk = 0.0014641 k( 622) = ( 0.4357143 0.2113471 0.5815696), wk = 0.0014641 k( 623) = ( 0.4285714 0.2078824 0.5720356), wk = 0.0014641 k( 624) = ( 0.4214286 0.2044177 0.5625017), wk = 0.0014641 k( 625) = ( 0.4142857 0.2009530 0.5529678), wk = 0.0014641 k( 626) = ( 0.4071429 0.1974883 0.5434339), wk = 0.0014641 k( 627) = ( 0.4000000 0.1940235 0.5338999), wk = 0.0014641 k( 628) = ( 0.3928571 0.1905588 0.5243660), wk = 0.0014641 k( 629) = ( 0.3857143 0.1870941 0.5148321), wk = 0.0014641 k( 630) = ( 0.3785714 0.1836294 0.5052981), wk = 0.0014641 k( 631) = ( 0.3714286 0.1801647 0.4957642), wk = 0.0014641 k( 632) = ( 0.3642857 0.1767000 0.4862303), wk = 0.0014641 k( 633) = ( 0.3571429 0.1732353 0.4766964), wk = 0.0014641 k( 634) = ( 0.3500000 0.1697706 0.4671624), wk = 0.0014641 k( 635) = ( 0.3428571 0.1663059 0.4576285), wk = 0.0014641 k( 636) = ( 0.3357143 0.1628412 0.4480946), wk = 0.0014641 k( 637) = ( 0.3285714 0.1593765 0.4385607), wk = 0.0014641 k( 638) = ( 0.3214286 0.1559118 0.4290267), wk = 0.0014641 k( 639) = ( 0.3142857 0.1524471 0.4194928), wk = 0.0014641 k( 640) = ( 0.3071429 0.1489824 0.4099589), wk = 0.0014641 k( 641) = ( 0.3000000 0.1455177 0.4004249), wk = 0.0014641 k( 642) = ( 0.2928571 0.1420530 0.3908910), wk = 0.0014641 k( 643) = ( 0.2857143 0.1385883 0.3813571), wk = 0.0014641 k( 644) = ( 0.2785714 0.1351235 0.3718232), wk = 0.0014641 k( 645) = ( 0.2714286 0.1316588 0.3622892), wk = 0.0014641 k( 646) = ( 0.2642857 0.1281941 0.3527553), wk = 0.0014641 k( 647) = ( 0.2571429 0.1247294 0.3432214), wk = 0.0014641 k( 648) = ( 0.2500000 0.1212647 0.3336875), wk = 0.0014641 k( 649) = ( 0.2428571 0.1178000 0.3241535), wk = 0.0014641 k( 650) = ( 0.2357143 0.1143353 0.3146196), wk = 0.0014641 k( 651) = ( 0.2285714 0.1108706 0.3050857), wk = 0.0014641 k( 652) = ( 0.2214286 0.1074059 0.2955517), wk = 0.0014641 k( 653) = ( 0.2142857 0.1039412 0.2860178), wk = 0.0014641 k( 654) = ( 0.2071429 0.1004765 0.2764839), wk = 0.0014641 k( 655) = ( 0.2000000 0.0970118 0.2669500), wk = 0.0014641 k( 656) = ( 0.1928571 0.0935471 0.2574160), wk = 0.0014641 k( 657) = ( 0.1857143 0.0900824 0.2478821), wk = 0.0014641 k( 658) = ( 0.1785714 0.0866177 0.2383482), wk = 0.0014641 k( 659) = ( 0.1714286 0.0831529 0.2288143), wk = 0.0014641 k( 660) = ( 0.1642857 0.0796882 0.2192803), wk = 0.0014641 k( 661) = ( 0.1571429 0.0762235 0.2097464), wk = 0.0014641 k( 662) = ( 0.1500000 0.0727588 0.2002125), wk = 0.0014641 k( 663) = ( 0.1428571 0.0692941 0.1906785), wk = 0.0014641 k( 664) = ( 0.1357143 0.0658294 0.1811446), wk = 0.0014641 k( 665) = ( 0.1285714 0.0623647 0.1716107), wk = 0.0014641 k( 666) = ( 0.1214286 0.0589000 0.1620768), wk = 0.0014641 k( 667) = ( 0.1142857 0.0554353 0.1525428), wk = 0.0014641 k( 668) = ( 0.1071429 0.0519706 0.1430089), wk = 0.0014641 k( 669) = ( 0.1000000 0.0485059 0.1334750), wk = 0.0014641 k( 670) = ( 0.0928571 0.0450412 0.1239411), wk = 0.0014641 k( 671) = ( 0.0857143 0.0415765 0.1144071), wk = 0.0014641 k( 672) = ( 0.0785714 0.0381118 0.1048732), wk = 0.0014641 k( 673) = ( 0.0714286 0.0346471 0.0953393), wk = 0.0014641 k( 674) = ( 0.0642857 0.0311824 0.0858053), wk = 0.0014641 k( 675) = ( 0.0571429 0.0277177 0.0762714), wk = 0.0014641 k( 676) = ( 0.0500000 0.0242529 0.0667375), wk = 0.0014641 k( 677) = ( 0.0428571 0.0207882 0.0572036), wk = 0.0014641 k( 678) = ( 0.0357143 0.0173235 0.0476696), wk = 0.0014641 k( 679) = ( 0.0285714 0.0138588 0.0381357), wk = 0.0014641 k( 680) = ( 0.0214286 0.0103941 0.0286018), wk = 0.0014641 k( 681) = ( 0.0142857 0.0069294 0.0190678), wk = 0.0014641 k( 682) = ( 0.0071429 0.0034647 0.0095339), wk = 0.0014641 k( 683) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 2) = ( 0.0066667 -0.0000000 0.0066667), wk = 0.0014641 k( 3) = ( 0.0133333 -0.0000000 0.0133333), wk = 0.0014641 k( 4) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0014641 k( 5) = ( 0.0266667 0.0000000 0.0266667), wk = 0.0014641 k( 6) = ( 0.0333333 -0.0000000 0.0333333), wk = 0.0014641 k( 7) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0014641 k( 8) = ( 0.0466667 -0.0000000 0.0466667), wk = 0.0014641 k( 9) = ( 0.0533333 -0.0000000 0.0533333), wk = 0.0014641 k( 10) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0014641 k( 11) = ( 0.0666667 0.0000000 0.0666667), wk = 0.0014641 k( 12) = ( 0.0733333 -0.0000000 0.0733333), wk = 0.0014641 k( 13) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0014641 k( 14) = ( 0.0866667 -0.0000000 0.0866667), wk = 0.0014641 k( 15) = ( 0.0933333 -0.0000000 0.0933333), wk = 0.0014641 k( 16) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0014641 k( 17) = ( 0.1066667 -0.0000000 0.1066667), wk = 0.0014641 k( 18) = ( 0.1133333 -0.0000000 0.1133333), wk = 0.0014641 k( 19) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0014641 k( 20) = ( 0.1266667 -0.0000000 0.1266667), wk = 0.0014641 k( 21) = ( 0.1333333 -0.0000000 0.1333333), wk = 0.0014641 k( 22) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0014641 k( 23) = ( 0.1466667 0.0000000 0.1466667), wk = 0.0014641 k( 24) = ( 0.1533333 -0.0000000 0.1533333), wk = 0.0014641 k( 25) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0014641 k( 26) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0014641 k( 27) = ( 0.1733333 -0.0000000 0.1733333), wk = 0.0014641 k( 28) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0014641 k( 29) = ( 0.1866667 -0.0000000 0.1866667), wk = 0.0014641 k( 30) = ( 0.1933333 -0.0000000 0.1933333), wk = 0.0014641 k( 31) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0014641 k( 32) = ( 0.2066667 -0.0000000 0.2066667), wk = 0.0014641 k( 33) = ( 0.2133333 0.0000000 0.2133333), wk = 0.0014641 k( 34) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0014641 k( 35) = ( 0.2266667 0.0000000 0.2266667), wk = 0.0014641 k( 36) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0014641 k( 37) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0014641 k( 38) = ( 0.2466667 -0.0000000 0.2466667), wk = 0.0014641 k( 39) = ( 0.2533333 -0.0000000 0.2533333), wk = 0.0014641 k( 40) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0014641 k( 41) = ( 0.2666667 -0.0000000 0.2666667), wk = 0.0014641 k( 42) = ( 0.2733333 0.0000000 0.2733333), wk = 0.0014641 k( 43) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0014641 k( 44) = ( 0.2866667 -0.0000000 0.2866667), wk = 0.0014641 k( 45) = ( 0.2933333 0.0000000 0.2933333), wk = 0.0014641 k( 46) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0014641 k( 47) = ( 0.3066667 -0.0000000 0.3066667), wk = 0.0014641 k( 48) = ( 0.3133333 -0.0000000 0.3133333), wk = 0.0014641 k( 49) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0014641 k( 50) = ( 0.3266667 -0.0000000 0.3266667), wk = 0.0014641 k( 51) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0014641 k( 52) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0014641 k( 53) = ( 0.3466667 -0.0000000 0.3466667), wk = 0.0014641 k( 54) = ( 0.3533333 -0.0000000 0.3533333), wk = 0.0014641 k( 55) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0014641 k( 56) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0014641 k( 57) = ( 0.3733333 -0.0000000 0.3733333), wk = 0.0014641 k( 58) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0014641 k( 59) = ( 0.3866667 -0.0000000 0.3866667), wk = 0.0014641 k( 60) = ( 0.3933333 -0.0000000 0.3933333), wk = 0.0014641 k( 61) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0014641 k( 62) = ( 0.4066667 -0.0000000 0.4066667), wk = 0.0014641 k( 63) = ( 0.4133333 -0.0000000 0.4133333), wk = 0.0014641 k( 64) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0014641 k( 65) = ( 0.4266667 -0.0000000 0.4266667), wk = 0.0014641 k( 66) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0014641 k( 67) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0014641 k( 68) = ( 0.4466667 0.0000000 0.4466667), wk = 0.0014641 k( 69) = ( 0.4533333 -0.0000000 0.4533333), wk = 0.0014641 k( 70) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0014641 k( 71) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0014641 k( 72) = ( 0.4733333 -0.0000000 0.4733333), wk = 0.0014641 k( 73) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0014641 k( 74) = ( 0.4866667 -0.0000000 0.4866667), wk = 0.0014641 k( 75) = ( 0.4933333 -0.0000000 0.4933333), wk = 0.0014641 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014641 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014641 k( 78) = ( 0.5106383 0.0106383 0.5000000), wk = 0.0014641 k( 79) = ( 0.5212766 0.0212766 0.5000000), wk = 0.0014641 k( 80) = ( 0.5319149 0.0319149 0.5000000), wk = 0.0014641 k( 81) = ( 0.5425532 0.0425532 0.5000000), wk = 0.0014641 k( 82) = ( 0.5531915 0.0531915 0.5000000), wk = 0.0014641 k( 83) = ( 0.5638298 0.0638298 0.5000000), wk = 0.0014641 k( 84) = ( 0.5744681 0.0744681 0.5000000), wk = 0.0014641 k( 85) = ( 0.5851064 0.0851064 0.5000000), wk = 0.0014641 k( 86) = ( 0.5957447 0.0957447 0.5000000), wk = 0.0014641 k( 87) = ( 0.6063830 0.1063830 0.5000000), wk = 0.0014641 k( 88) = ( 0.6170213 0.1170213 0.5000000), wk = 0.0014641 k( 89) = ( 0.6276596 0.1276596 0.5000000), wk = 0.0014641 k( 90) = ( 0.6382979 0.1382979 0.5000000), wk = 0.0014641 k( 91) = ( 0.6489362 0.1489362 0.5000000), wk = 0.0014641 k( 92) = ( 0.6595745 0.1595745 0.5000000), wk = 0.0014641 k( 93) = ( 0.6702128 0.1702128 0.5000000), wk = 0.0014641 k( 94) = ( 0.6808511 0.1808511 0.5000000), wk = 0.0014641 k( 95) = ( 0.6914894 0.1914894 0.5000000), wk = 0.0014641 k( 96) = ( 0.7021277 0.2021277 0.5000000), wk = 0.0014641 k( 97) = ( 0.7127660 0.2127660 0.5000000), wk = 0.0014641 k( 98) = ( 0.7234043 0.2234043 0.5000000), wk = 0.0014641 k( 99) = ( 0.7340425 0.2340425 0.5000000), wk = 0.0014641 k( 100) = ( 0.7446808 0.2446809 0.5000000), wk = 0.0014641 k( 101) = ( 0.7553192 0.2553191 0.5000000), wk = 0.0014641 k( 102) = ( 0.7659575 0.2659574 0.5000000), wk = 0.0014641 k( 103) = ( 0.7765957 0.2765957 0.5000000), wk = 0.0014641 k( 104) = ( 0.7872340 0.2872340 0.5000000), wk = 0.0014641 k( 105) = ( 0.7978723 0.2978723 0.5000000), wk = 0.0014641 k( 106) = ( 0.8085106 0.3085106 0.5000000), wk = 0.0014641 k( 107) = ( 0.8191489 0.3191489 0.5000000), wk = 0.0014641 k( 108) = ( 0.8297872 0.3297872 0.5000000), wk = 0.0014641 k( 109) = ( 0.8404255 0.3404255 0.5000000), wk = 0.0014641 k( 110) = ( 0.8510638 0.3510638 0.5000000), wk = 0.0014641 k( 111) = ( 0.8617021 0.3617021 0.5000000), wk = 0.0014641 k( 112) = ( 0.8723404 0.3723404 0.5000000), wk = 0.0014641 k( 113) = ( 0.8829787 0.3829787 0.5000000), wk = 0.0014641 k( 114) = ( 0.8936170 0.3936170 0.5000000), wk = 0.0014641 k( 115) = ( 0.9042553 0.4042553 0.5000000), wk = 0.0014641 k( 116) = ( 0.9148936 0.4148936 0.5000000), wk = 0.0014641 k( 117) = ( 0.9255319 0.4255319 0.5000000), wk = 0.0014641 k( 118) = ( 0.9361702 0.4361702 0.5000000), wk = 0.0014641 k( 119) = ( 0.9468085 0.4468085 0.5000000), wk = 0.0014641 k( 120) = ( 0.9574468 0.4574468 0.5000000), wk = 0.0014641 k( 121) = ( 0.9680851 0.4680851 0.5000000), wk = 0.0014641 k( 122) = ( 0.9787234 0.4787234 0.5000000), wk = 0.0014641 k( 123) = ( 0.9893617 0.4893617 0.5000000), wk = 0.0014641 k( 124) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0014641 k( 125) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0014641 k( 126) = ( 0.9933333 0.5000000 0.4933333), wk = 0.0014641 k( 127) = ( 0.9866667 0.5000000 0.4866667), wk = 0.0014641 k( 128) = ( 0.9800000 0.5000000 0.4800000), wk = 0.0014641 k( 129) = ( 0.9733333 0.5000000 0.4733333), wk = 0.0014641 k( 130) = ( 0.9666667 0.5000000 0.4666667), wk = 0.0014641 k( 131) = ( 0.9600000 0.5000000 0.4600000), wk = 0.0014641 k( 132) = ( 0.9533333 0.5000000 0.4533333), wk = 0.0014641 k( 133) = ( 0.9466667 0.5000000 0.4466667), wk = 0.0014641 k( 134) = ( 0.9400000 0.5000000 0.4400000), wk = 0.0014641 k( 135) = ( 0.9333333 0.5000000 0.4333333), wk = 0.0014641 k( 136) = ( 0.9266667 0.5000000 0.4266667), wk = 0.0014641 k( 137) = ( 0.9200000 0.5000000 0.4200000), wk = 0.0014641 k( 138) = ( 0.9133333 0.5000000 0.4133333), wk = 0.0014641 k( 139) = ( 0.9066667 0.5000000 0.4066667), wk = 0.0014641 k( 140) = ( 0.9000000 0.5000000 0.4000000), wk = 0.0014641 k( 141) = ( 0.8933333 0.5000000 0.3933333), wk = 0.0014641 k( 142) = ( 0.8866667 0.5000000 0.3866667), wk = 0.0014641 k( 143) = ( 0.8800000 0.5000000 0.3800000), wk = 0.0014641 k( 144) = ( 0.8733333 0.5000000 0.3733333), wk = 0.0014641 k( 145) = ( 0.8666667 0.5000000 0.3666667), wk = 0.0014641 k( 146) = ( 0.8600000 0.5000000 0.3600000), wk = 0.0014641 k( 147) = ( 0.8533333 0.5000000 0.3533333), wk = 0.0014641 k( 148) = ( 0.8466667 0.5000000 0.3466667), wk = 0.0014641 k( 149) = ( 0.8400000 0.5000000 0.3400000), wk = 0.0014641 k( 150) = ( 0.8333333 0.5000000 0.3333333), wk = 0.0014641 k( 151) = ( 0.8266667 0.5000000 0.3266667), wk = 0.0014641 k( 152) = ( 0.8200000 0.5000000 0.3200000), wk = 0.0014641 k( 153) = ( 0.8133333 0.5000000 0.3133333), wk = 0.0014641 k( 154) = ( 0.8066667 0.5000000 0.3066667), wk = 0.0014641 k( 155) = ( 0.8000000 0.5000000 0.3000000), wk = 0.0014641 k( 156) = ( 0.7933333 0.5000000 0.2933333), wk = 0.0014641 k( 157) = ( 0.7866667 0.5000000 0.2866667), wk = 0.0014641 k( 158) = ( 0.7800000 0.5000000 0.2800000), wk = 0.0014641 k( 159) = ( 0.7733333 0.5000000 0.2733333), wk = 0.0014641 k( 160) = ( 0.7666667 0.5000000 0.2666667), wk = 0.0014641 k( 161) = ( 0.7600000 0.5000000 0.2600000), wk = 0.0014641 k( 162) = ( 0.7533333 0.5000000 0.2533333), wk = 0.0014641 k( 163) = ( 0.7466667 0.5000000 0.2466667), wk = 0.0014641 k( 164) = ( 0.7400000 0.5000000 0.2400000), wk = 0.0014641 k( 165) = ( 0.7333333 0.5000000 0.2333333), wk = 0.0014641 k( 166) = ( 0.7266667 0.5000000 0.2266667), wk = 0.0014641 k( 167) = ( 0.7200000 0.5000000 0.2200000), wk = 0.0014641 k( 168) = ( 0.7133333 0.5000000 0.2133333), wk = 0.0014641 k( 169) = ( 0.7066667 0.5000000 0.2066667), wk = 0.0014641 k( 170) = ( 0.7000000 0.5000000 0.2000000), wk = 0.0014641 k( 171) = ( 0.6933333 0.5000000 0.1933333), wk = 0.0014641 k( 172) = ( 0.6866667 0.5000000 0.1866667), wk = 0.0014641 k( 173) = ( 0.6800000 0.5000000 0.1800000), wk = 0.0014641 k( 174) = ( 0.6733333 0.5000000 0.1733333), wk = 0.0014641 k( 175) = ( 0.6666667 0.5000000 0.1666667), wk = 0.0014641 k( 176) = ( 0.6600000 0.5000000 0.1600000), wk = 0.0014641 k( 177) = ( 0.6533333 0.5000000 0.1533333), wk = 0.0014641 k( 178) = ( 0.6466667 0.5000000 0.1466667), wk = 0.0014641 k( 179) = ( 0.6400000 0.5000000 0.1400000), wk = 0.0014641 k( 180) = ( 0.6333333 0.5000000 0.1333333), wk = 0.0014641 k( 181) = ( 0.6266667 0.5000000 0.1266667), wk = 0.0014641 k( 182) = ( 0.6200000 0.5000000 0.1200000), wk = 0.0014641 k( 183) = ( 0.6133333 0.5000000 0.1133333), wk = 0.0014641 k( 184) = ( 0.6066667 0.5000000 0.1066667), wk = 0.0014641 k( 185) = ( 0.6000000 0.5000000 0.1000000), wk = 0.0014641 k( 186) = ( 0.5933333 0.5000000 0.0933333), wk = 0.0014641 k( 187) = ( 0.5866667 0.5000000 0.0866667), wk = 0.0014641 k( 188) = ( 0.5800000 0.5000000 0.0800000), wk = 0.0014641 k( 189) = ( 0.5733333 0.5000000 0.0733333), wk = 0.0014641 k( 190) = ( 0.5666667 0.5000000 0.0666667), wk = 0.0014641 k( 191) = ( 0.5600000 0.5000000 0.0600000), wk = 0.0014641 k( 192) = ( 0.5533333 0.5000000 0.0533333), wk = 0.0014641 k( 193) = ( 0.5466667 0.5000000 0.0466667), wk = 0.0014641 k( 194) = ( 0.5400000 0.5000000 0.0400000), wk = 0.0014641 k( 195) = ( 0.5333333 0.5000000 0.0333333), wk = 0.0014641 k( 196) = ( 0.5266667 0.5000000 0.0266667), wk = 0.0014641 k( 197) = ( 0.5200000 0.5000000 0.0200000), wk = 0.0014641 k( 198) = ( 0.5133333 0.5000000 0.0133333), wk = 0.0014641 k( 199) = ( 0.5066667 0.5000000 0.0066667), wk = 0.0014641 k( 200) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014641 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014641 k( 202) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0014641 k( 203) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0014641 k( 204) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0014641 k( 205) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0014641 k( 206) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0014641 k( 207) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0014641 k( 208) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0014641 k( 209) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0014641 k( 210) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0014641 k( 211) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0014641 k( 212) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0014641 k( 213) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0014641 k( 214) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0014641 k( 215) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0014641 k( 216) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0014641 k( 217) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0014641 k( 218) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0014641 k( 219) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0014641 k( 220) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0014641 k( 221) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0014641 k( 222) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0014641 k( 223) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0014641 k( 224) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0014641 k( 225) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0014641 k( 226) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0014641 k( 227) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0014641 k( 228) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0014641 k( 229) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0014641 k( 230) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0014641 k( 231) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0014641 k( 232) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0014641 k( 233) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0014641 k( 234) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0014641 k( 235) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0014641 k( 236) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0014641 k( 237) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0014641 k( 238) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0014641 k( 239) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0014641 k( 240) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0014641 k( 241) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0014641 k( 242) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0014641 k( 243) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0014641 k( 244) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0014641 k( 245) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0014641 k( 246) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0014641 k( 247) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0014641 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 k( 250) = ( 0.0000000 0.0046872 0.0046872), wk = 0.0014641 k( 251) = ( 0.0000000 0.0093744 0.0093744), wk = 0.0014641 k( 252) = ( 0.0000000 0.0140615 0.0140615), wk = 0.0014641 k( 253) = ( 0.0000000 0.0187487 0.0187487), wk = 0.0014641 k( 254) = ( 0.0000000 0.0234359 0.0234359), wk = 0.0014641 k( 255) = ( 0.0000000 0.0281230 0.0281230), wk = 0.0014641 k( 256) = ( 0.0000000 0.0328102 0.0328102), wk = 0.0014641 k( 257) = ( 0.0000000 0.0374974 0.0374974), wk = 0.0014641 k( 258) = ( 0.0000000 0.0421846 0.0421846), wk = 0.0014641 k( 259) = ( 0.0000000 0.0468717 0.0468717), wk = 0.0014641 k( 260) = ( 0.0000000 0.0515589 0.0515589), wk = 0.0014641 k( 261) = ( 0.0000000 0.0562461 0.0562461), wk = 0.0014641 k( 262) = ( 0.0000000 0.0609333 0.0609333), wk = 0.0014641 k( 263) = ( 0.0000000 0.0656204 0.0656204), wk = 0.0014641 k( 264) = ( 0.0000000 0.0703076 0.0703076), wk = 0.0014641 k( 265) = ( 0.0000000 0.0749948 0.0749948), wk = 0.0014641 k( 266) = ( 0.0000000 0.0796820 0.0796820), wk = 0.0014641 k( 267) = ( 0.0000000 0.0843691 0.0843691), wk = 0.0014641 k( 268) = ( 0.0000000 0.0890563 0.0890563), wk = 0.0014641 k( 269) = ( 0.0000000 0.0937435 0.0937435), wk = 0.0014641 k( 270) = ( 0.0000000 0.0984306 0.0984307), wk = 0.0014641 k( 271) = ( 0.0000000 0.1031178 0.1031178), wk = 0.0014641 k( 272) = ( 0.0000000 0.1078050 0.1078050), wk = 0.0014641 k( 273) = ( 0.0000000 0.1124922 0.1124922), wk = 0.0014641 k( 274) = ( 0.0000000 0.1171794 0.1171794), wk = 0.0014641 k( 275) = ( 0.0000000 0.1218665 0.1218665), wk = 0.0014641 k( 276) = ( 0.0000000 0.1265537 0.1265537), wk = 0.0014641 k( 277) = ( 0.0000000 0.1312409 0.1312409), wk = 0.0014641 k( 278) = ( 0.0000000 0.1359280 0.1359281), wk = 0.0014641 k( 279) = ( 0.0000000 0.1406152 0.1406152), wk = 0.0014641 k( 280) = ( 0.0000000 0.1453024 0.1453024), wk = 0.0014641 k( 281) = ( 0.0000000 0.1499896 0.1499896), wk = 0.0014641 k( 282) = ( 0.0000000 0.1546767 0.1546767), wk = 0.0014641 k( 283) = ( 0.0000000 0.1593639 0.1593639), wk = 0.0014641 k( 284) = ( 0.0000000 0.1640511 0.1640511), wk = 0.0014641 k( 285) = ( 0.0000000 0.1687383 0.1687383), wk = 0.0014641 k( 286) = ( 0.0000000 0.1734254 0.1734254), wk = 0.0014641 k( 287) = ( 0.0000000 0.1781126 0.1781126), wk = 0.0014641 k( 288) = ( 0.0000000 0.1827998 0.1827998), wk = 0.0014641 k( 289) = ( 0.0000000 0.1874870 0.1874870), wk = 0.0014641 k( 290) = ( 0.0000000 0.1921741 0.1921741), wk = 0.0014641 k( 291) = ( 0.0000000 0.1968613 0.1968613), wk = 0.0014641 k( 292) = ( 0.0000000 0.2015485 0.2015485), wk = 0.0014641 k( 293) = ( 0.0000000 0.2062357 0.2062357), wk = 0.0014641 k( 294) = ( 0.0000000 0.2109228 0.2109228), wk = 0.0014641 k( 295) = ( 0.0000000 0.2156100 0.2156100), wk = 0.0014641 k( 296) = ( 0.0000000 0.2202972 0.2202972), wk = 0.0014641 k( 297) = ( 0.0000000 0.2249844 0.2249844), wk = 0.0014641 k( 298) = ( 0.0000000 0.2296715 0.2296715), wk = 0.0014641 k( 299) = ( 0.0000000 0.2343587 0.2343587), wk = 0.0014641 k( 300) = ( 0.0000000 0.2390459 0.2390459), wk = 0.0014641 k( 301) = ( 0.0000000 0.2437331 0.2437331), wk = 0.0014641 k( 302) = ( 0.0000000 0.2484202 0.2484202), wk = 0.0014641 k( 303) = ( 0.0000000 0.2531074 0.2531074), wk = 0.0014641 k( 304) = ( 0.0000000 0.2577946 0.2577946), wk = 0.0014641 k( 305) = ( 0.0000000 0.2624818 0.2624818), wk = 0.0014641 k( 306) = ( 0.0000000 0.2671689 0.2671689), wk = 0.0014641 k( 307) = ( 0.0000000 0.2718561 0.2718561), wk = 0.0014641 k( 308) = ( 0.0000000 0.2765433 0.2765433), wk = 0.0014641 k( 309) = ( 0.0000000 0.2812304 0.2812304), wk = 0.0014641 k( 310) = ( 0.0000000 0.2859176 0.2859176), wk = 0.0014641 k( 311) = ( 0.0000000 0.2906048 0.2906048), wk = 0.0014641 k( 312) = ( 0.0000000 0.2952920 0.2952920), wk = 0.0014641 k( 313) = ( 0.0000000 0.2999791 0.2999791), wk = 0.0014641 k( 314) = ( 0.0000000 0.3046663 0.3046663), wk = 0.0014641 k( 315) = ( 0.0000000 0.3093535 0.3093535), wk = 0.0014641 k( 316) = ( 0.0000000 0.3140407 0.3140407), wk = 0.0014641 k( 317) = ( 0.0000000 0.3187278 0.3187278), wk = 0.0014641 k( 318) = ( 0.0000000 0.3234150 0.3234150), wk = 0.0014641 k( 319) = ( 0.0000000 0.3281022 0.3281022), wk = 0.0014641 k( 320) = ( 0.0000000 0.3327894 0.3327894), wk = 0.0014641 k( 321) = ( 0.0000000 0.3374765 0.3374765), wk = 0.0014641 k( 322) = ( 0.0000000 0.3421637 0.3421637), wk = 0.0014641 k( 323) = ( 0.0000000 0.3468509 0.3468509), wk = 0.0014641 k( 324) = ( 0.0000000 0.3515380 0.3515381), wk = 0.0014641 k( 325) = ( 0.0000000 0.3562252 0.3562252), wk = 0.0014641 k( 326) = ( 0.0000000 0.3609124 0.3609124), wk = 0.0014641 k( 327) = ( 0.0000000 0.3655996 0.3655996), wk = 0.0014641 k( 328) = ( 0.0000000 0.3702867 0.3702868), wk = 0.0014641 k( 329) = ( 0.0000000 0.3749739 0.3749739), wk = 0.0014641 k( 330) = ( 0.0000000 0.3796611 0.3796611), wk = 0.0014641 k( 331) = ( 0.0000000 0.3843483 0.3843483), wk = 0.0014641 k( 332) = ( 0.0000000 0.3890354 0.3890354), wk = 0.0014641 k( 333) = ( 0.0000000 0.3937226 0.3937226), wk = 0.0014641 k( 334) = ( 0.0000000 0.3984098 0.3984098), wk = 0.0014641 k( 335) = ( 0.0000000 0.4030970 0.4030970), wk = 0.0014641 k( 336) = ( 0.0000000 0.4077841 0.4077841), wk = 0.0014641 k( 337) = ( 0.0000000 0.4124713 0.4124713), wk = 0.0014641 k( 338) = ( 0.0000000 0.4171585 0.4171585), wk = 0.0014641 k( 339) = ( 0.0000000 0.4218457 0.4218457), wk = 0.0014641 k( 340) = ( 0.0000000 0.4218457 0.4218457), wk = 0.0014641 k( 341) = ( 0.0054348 0.4191715 0.4246063), wk = 0.0014641 k( 342) = ( 0.0108696 0.4164974 0.4273670), wk = 0.0014641 k( 343) = ( 0.0163043 0.4138233 0.4301277), wk = 0.0014641 k( 344) = ( 0.0217391 0.4111492 0.4328883), wk = 0.0014641 k( 345) = ( 0.0271739 0.4084751 0.4356490), wk = 0.0014641 k( 346) = ( 0.0326087 0.4058009 0.4384096), wk = 0.0014641 k( 347) = ( 0.0380435 0.4031268 0.4411703), wk = 0.0014641 k( 348) = ( 0.0434783 0.4004527 0.4439310), wk = 0.0014641 k( 349) = ( 0.0489130 0.3977786 0.4466916), wk = 0.0014641 k( 350) = ( 0.0543478 0.3951045 0.4494523), wk = 0.0014641 k( 351) = ( 0.0597826 0.3924303 0.4522130), wk = 0.0014641 k( 352) = ( 0.0652174 0.3897562 0.4549736), wk = 0.0014641 k( 353) = ( 0.0706522 0.3870821 0.4577343), wk = 0.0014641 k( 354) = ( 0.0760870 0.3844080 0.4604949), wk = 0.0014641 k( 355) = ( 0.0815217 0.3817339 0.4632556), wk = 0.0014641 k( 356) = ( 0.0869565 0.3790597 0.4660163), wk = 0.0014641 k( 357) = ( 0.0923913 0.3763856 0.4687769), wk = 0.0014641 k( 358) = ( 0.0978261 0.3737115 0.4715376), wk = 0.0014641 k( 359) = ( 0.1032609 0.3710374 0.4742983), wk = 0.0014641 k( 360) = ( 0.1086957 0.3683633 0.4770589), wk = 0.0014641 k( 361) = ( 0.1141304 0.3656891 0.4798196), wk = 0.0014641 k( 362) = ( 0.1195652 0.3630150 0.4825802), wk = 0.0014641 k( 363) = ( 0.1250000 0.3603409 0.4853409), wk = 0.0014641 k( 364) = ( 0.1304348 0.3576668 0.4881016), wk = 0.0014641 k( 365) = ( 0.1358696 0.3549927 0.4908622), wk = 0.0014641 k( 366) = ( 0.1413043 0.3523185 0.4936229), wk = 0.0014641 k( 367) = ( 0.1467391 0.3496444 0.4963836), wk = 0.0014641 k( 368) = ( 0.1521739 0.3469703 0.4991442), wk = 0.0014641 k( 369) = ( 0.1576087 0.3442962 0.5019049), wk = 0.0014641 k( 370) = ( 0.1630435 0.3416220 0.5046655), wk = 0.0014641 k( 371) = ( 0.1684783 0.3389479 0.5074262), wk = 0.0014641 k( 372) = ( 0.1739130 0.3362738 0.5101869), wk = 0.0014641 k( 373) = ( 0.1793478 0.3335997 0.5129475), wk = 0.0014641 k( 374) = ( 0.1847826 0.3309256 0.5157082), wk = 0.0014641 k( 375) = ( 0.1902174 0.3282515 0.5184688), wk = 0.0014641 k( 376) = ( 0.1956522 0.3255773 0.5212295), wk = 0.0014641 k( 377) = ( 0.2010870 0.3229032 0.5239902), wk = 0.0014641 k( 378) = ( 0.2065217 0.3202291 0.5267508), wk = 0.0014641 k( 379) = ( 0.2119565 0.3175550 0.5295115), wk = 0.0014641 k( 380) = ( 0.2173913 0.3148808 0.5322722), wk = 0.0014641 k( 381) = ( 0.2228261 0.3122067 0.5350328), wk = 0.0014641 k( 382) = ( 0.2282609 0.3095326 0.5377935), wk = 0.0014641 k( 383) = ( 0.2336957 0.3068585 0.5405541), wk = 0.0014641 k( 384) = ( 0.2391304 0.3041844 0.5433148), wk = 0.0014641 k( 385) = ( 0.2445652 0.3015102 0.5460755), wk = 0.0014641 k( 386) = ( 0.2500000 0.2988361 0.5488361), wk = 0.0014641 k( 387) = ( 0.2554348 0.2961620 0.5515968), wk = 0.0014641 k( 388) = ( 0.2608696 0.2934879 0.5543575), wk = 0.0014641 k( 389) = ( 0.2663044 0.2908138 0.5571181), wk = 0.0014641 k( 390) = ( 0.2717391 0.2881397 0.5598788), wk = 0.0014641 k( 391) = ( 0.2771739 0.2854655 0.5626394), wk = 0.0014641 k( 392) = ( 0.2826087 0.2827914 0.5654001), wk = 0.0014641 k( 393) = ( 0.2880435 0.2801173 0.5681608), wk = 0.0014641 k( 394) = ( 0.2934783 0.2774432 0.5709214), wk = 0.0014641 k( 395) = ( 0.2989130 0.2747691 0.5736821), wk = 0.0014641 k( 396) = ( 0.3043478 0.2720949 0.5764428), wk = 0.0014641 k( 397) = ( 0.3097826 0.2694208 0.5792034), wk = 0.0014641 k( 398) = ( 0.3152174 0.2667467 0.5819641), wk = 0.0014641 k( 399) = ( 0.3206522 0.2640726 0.5847247), wk = 0.0014641 k( 400) = ( 0.3260870 0.2613985 0.5874854), wk = 0.0014641 k( 401) = ( 0.3315217 0.2587243 0.5902461), wk = 0.0014641 k( 402) = ( 0.3369565 0.2560502 0.5930067), wk = 0.0014641 k( 403) = ( 0.3423913 0.2533761 0.5957674), wk = 0.0014641 k( 404) = ( 0.3478261 0.2507020 0.5985281), wk = 0.0014641 k( 405) = ( 0.3532609 0.2480278 0.6012887), wk = 0.0014641 k( 406) = ( 0.3586956 0.2453537 0.6040494), wk = 0.0014641 k( 407) = ( 0.3641304 0.2426796 0.6068100), wk = 0.0014641 k( 408) = ( 0.3695652 0.2400055 0.6095707), wk = 0.0014641 k( 409) = ( 0.3750000 0.2373314 0.6123314), wk = 0.0014641 k( 410) = ( 0.3804348 0.2346572 0.6150920), wk = 0.0014641 k( 411) = ( 0.3858696 0.2319831 0.6178527), wk = 0.0014641 k( 412) = ( 0.3913044 0.2293090 0.6206133), wk = 0.0014641 k( 413) = ( 0.3967391 0.2266349 0.6233740), wk = 0.0014641 k( 414) = ( 0.4021739 0.2239608 0.6261347), wk = 0.0014641 k( 415) = ( 0.4076087 0.2212866 0.6288953), wk = 0.0014641 k( 416) = ( 0.4130435 0.2186125 0.6316560), wk = 0.0014641 k( 417) = ( 0.4184783 0.2159384 0.6344167), wk = 0.0014641 k( 418) = ( 0.4239130 0.2132643 0.6371773), wk = 0.0014641 k( 419) = ( 0.4293478 0.2105902 0.6399380), wk = 0.0014641 k( 420) = ( 0.4347826 0.2079160 0.6426987), wk = 0.0014641 k( 421) = ( 0.4402174 0.2052419 0.6454593), wk = 0.0014641 k( 422) = ( 0.4456522 0.2025678 0.6482200), wk = 0.0014641 k( 423) = ( 0.4510870 0.1998937 0.6509806), wk = 0.0014641 k( 424) = ( 0.4565217 0.1972196 0.6537413), wk = 0.0014641 k( 425) = ( 0.4619565 0.1945454 0.6565020), wk = 0.0014641 k( 426) = ( 0.4673913 0.1918713 0.6592626), wk = 0.0014641 k( 427) = ( 0.4728261 0.1891972 0.6620233), wk = 0.0014641 k( 428) = ( 0.4782609 0.1865231 0.6647840), wk = 0.0014641 k( 429) = ( 0.4836956 0.1838490 0.6675446), wk = 0.0014641 k( 430) = ( 0.4891304 0.1811748 0.6703053), wk = 0.0014641 k( 431) = ( 0.4945652 0.1785007 0.6730659), wk = 0.0014641 k( 432) = ( 0.5000000 0.1758266 0.6758266), wk = 0.0014641 k( 433) = ( 0.5000000 0.1758266 0.6758266), wk = 0.0014641 k( 434) = ( 0.5000000 0.1711996 0.6711996), wk = 0.0014641 k( 435) = ( 0.5000000 0.1665726 0.6665726), wk = 0.0014641 k( 436) = ( 0.5000000 0.1619455 0.6619456), wk = 0.0014641 k( 437) = ( 0.5000000 0.1573185 0.6573185), wk = 0.0014641 k( 438) = ( 0.5000000 0.1526915 0.6526915), wk = 0.0014641 k( 439) = ( 0.5000000 0.1480645 0.6480645), wk = 0.0014641 k( 440) = ( 0.5000000 0.1434375 0.6434375), wk = 0.0014641 k( 441) = ( 0.5000000 0.1388105 0.6388105), wk = 0.0014641 k( 442) = ( 0.5000000 0.1341835 0.6341835), wk = 0.0014641 k( 443) = ( 0.5000000 0.1295564 0.6295564), wk = 0.0014641 k( 444) = ( 0.5000000 0.1249294 0.6249294), wk = 0.0014641 k( 445) = ( 0.5000000 0.1203024 0.6203024), wk = 0.0014641 k( 446) = ( 0.5000000 0.1156754 0.6156754), wk = 0.0014641 k( 447) = ( 0.5000000 0.1110484 0.6110484), wk = 0.0014641 k( 448) = ( 0.5000000 0.1064214 0.6064214), wk = 0.0014641 k( 449) = ( 0.5000000 0.1017943 0.6017944), wk = 0.0014641 k( 450) = ( 0.5000000 0.0971673 0.5971673), wk = 0.0014641 k( 451) = ( 0.5000000 0.0925403 0.5925403), wk = 0.0014641 k( 452) = ( 0.5000000 0.0879133 0.5879133), wk = 0.0014641 k( 453) = ( 0.5000000 0.0832863 0.5832863), wk = 0.0014641 k( 454) = ( 0.5000000 0.0786593 0.5786593), wk = 0.0014641 k( 455) = ( 0.5000000 0.0740322 0.5740323), wk = 0.0014641 k( 456) = ( 0.5000000 0.0694052 0.5694052), wk = 0.0014641 k( 457) = ( 0.5000000 0.0647782 0.5647782), wk = 0.0014641 k( 458) = ( 0.5000000 0.0601512 0.5601512), wk = 0.0014641 k( 459) = ( 0.5000000 0.0555242 0.5555242), wk = 0.0014641 k( 460) = ( 0.5000000 0.0508972 0.5508972), wk = 0.0014641 k( 461) = ( 0.5000000 0.0462702 0.5462702), wk = 0.0014641 k( 462) = ( 0.5000000 0.0416431 0.5416431), wk = 0.0014641 k( 463) = ( 0.5000000 0.0370161 0.5370161), wk = 0.0014641 k( 464) = ( 0.5000000 0.0323891 0.5323891), wk = 0.0014641 k( 465) = ( 0.5000000 0.0277621 0.5277621), wk = 0.0014641 k( 466) = ( 0.5000000 0.0231351 0.5231351), wk = 0.0014641 k( 467) = ( 0.5000000 0.0185081 0.5185081), wk = 0.0014641 k( 468) = ( 0.5000000 0.0138811 0.5138810), wk = 0.0014641 k( 469) = ( 0.5000000 0.0092540 0.5092540), wk = 0.0014641 k( 470) = ( 0.5000000 0.0046270 0.5046270), wk = 0.0014641 k( 471) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014641 k( 472) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0014641 k( 473) = ( 1.0000000 0.5045973 0.5045973), wk = 0.0014641 k( 474) = ( 1.0000000 0.5091946 0.5091946), wk = 0.0014641 k( 475) = ( 1.0000000 0.5137919 0.5137919), wk = 0.0014641 k( 476) = ( 1.0000000 0.5183893 0.5183893), wk = 0.0014641 k( 477) = ( 1.0000000 0.5229866 0.5229866), wk = 0.0014641 k( 478) = ( 1.0000000 0.5275839 0.5275839), wk = 0.0014641 k( 479) = ( 1.0000000 0.5321812 0.5321812), wk = 0.0014641 k( 480) = ( 1.0000000 0.5367785 0.5367785), wk = 0.0014641 k( 481) = ( 1.0000000 0.5413758 0.5413758), wk = 0.0014641 k( 482) = ( 1.0000000 0.5459731 0.5459731), wk = 0.0014641 k( 483) = ( 1.0000000 0.5505705 0.5505705), wk = 0.0014641 k( 484) = ( 1.0000000 0.5551678 0.5551678), wk = 0.0014641 k( 485) = ( 1.0000000 0.5597651 0.5597651), wk = 0.0014641 k( 486) = ( 1.0000000 0.5643624 0.5643624), wk = 0.0014641 k( 487) = ( 1.0000000 0.5689597 0.5689597), wk = 0.0014641 k( 488) = ( 1.0000000 0.5735570 0.5735570), wk = 0.0014641 k( 489) = ( 1.0000000 0.5781543 0.5781543), wk = 0.0014641 k( 490) = ( 0.0000000 0.4218457 0.4218457), wk = 0.0014641 k( 491) = ( 0.0096154 0.4295827 0.4199674), wk = 0.0014641 k( 492) = ( 0.0192308 0.4373198 0.4180890), wk = 0.0014641 k( 493) = ( 0.0288462 0.4450569 0.4162107), wk = 0.0014641 k( 494) = ( 0.0384615 0.4527939 0.4143324), wk = 0.0014641 k( 495) = ( 0.0480769 0.4605310 0.4124541), wk = 0.0014641 k( 496) = ( 0.0576923 0.4682681 0.4105758), wk = 0.0014641 k( 497) = ( 0.0673077 0.4760052 0.4086975), wk = 0.0014641 k( 498) = ( 0.0769231 0.4837422 0.4068192), wk = 0.0014641 k( 499) = ( 0.0865385 0.4914793 0.4049409), wk = 0.0014641 k( 500) = ( 0.0961538 0.4992164 0.4030625), wk = 0.0014641 k( 501) = ( 0.1057692 0.5069535 0.4011842), wk = 0.0014641 k( 502) = ( 0.1153846 0.5146905 0.3993059), wk = 0.0014641 k( 503) = ( 0.1250000 0.5224276 0.3974276), wk = 0.0014641 k( 504) = ( 0.1346154 0.5301647 0.3955493), wk = 0.0014641 k( 505) = ( 0.1442308 0.5379017 0.3936710), wk = 0.0014641 k( 506) = ( 0.1538461 0.5456388 0.3917927), wk = 0.0014641 k( 507) = ( 0.1634615 0.5533759 0.3899144), wk = 0.0014641 k( 508) = ( 0.1730769 0.5611130 0.3880360), wk = 0.0014641 k( 509) = ( 0.1826923 0.5688500 0.3861577), wk = 0.0014641 k( 510) = ( 0.1923077 0.5765871 0.3842794), wk = 0.0014641 k( 511) = ( 0.2019231 0.5843242 0.3824011), wk = 0.0014641 k( 512) = ( 0.2115385 0.5920612 0.3805228), wk = 0.0014641 k( 513) = ( 0.2211539 0.5997983 0.3786445), wk = 0.0014641 k( 514) = ( 0.2307692 0.6075354 0.3767662), wk = 0.0014641 k( 515) = ( 0.2403846 0.6152725 0.3748878), wk = 0.0014641 k( 516) = ( 0.2500000 0.6230095 0.3730095), wk = 0.0014641 k( 517) = ( 0.2596154 0.6307466 0.3711312), wk = 0.0014641 k( 518) = ( 0.2692308 0.6384837 0.3692529), wk = 0.0014641 k( 519) = ( 0.2788462 0.6462208 0.3673746), wk = 0.0014641 k( 520) = ( 0.2884615 0.6539578 0.3654963), wk = 0.0014641 k( 521) = ( 0.2980769 0.6616949 0.3636180), wk = 0.0014641 k( 522) = ( 0.3076923 0.6694320 0.3617397), wk = 0.0014641 k( 523) = ( 0.3173077 0.6771690 0.3598613), wk = 0.0014641 k( 524) = ( 0.3269231 0.6849061 0.3579830), wk = 0.0014641 k( 525) = ( 0.3365385 0.6926432 0.3561047), wk = 0.0014641 k( 526) = ( 0.3461538 0.7003803 0.3542264), wk = 0.0014641 k( 527) = ( 0.3557692 0.7081173 0.3523481), wk = 0.0014641 k( 528) = ( 0.3653846 0.7158544 0.3504698), wk = 0.0014641 k( 529) = ( 0.3750000 0.7235915 0.3485915), wk = 0.0014641 k( 530) = ( 0.3846154 0.7313285 0.3467132), wk = 0.0014641 k( 531) = ( 0.3942308 0.7390656 0.3448348), wk = 0.0014641 k( 532) = ( 0.4038462 0.7468027 0.3429565), wk = 0.0014641 k( 533) = ( 0.4134615 0.7545397 0.3410782), wk = 0.0014641 k( 534) = ( 0.4230769 0.7622768 0.3391999), wk = 0.0014641 k( 535) = ( 0.4326923 0.7700139 0.3373216), wk = 0.0014641 k( 536) = ( 0.4423077 0.7777510 0.3354433), wk = 0.0014641 k( 537) = ( 0.4519231 0.7854880 0.3335650), wk = 0.0014641 k( 538) = ( 0.4615385 0.7932251 0.3316867), wk = 0.0014641 k( 539) = ( 0.4711538 0.8009622 0.3298083), wk = 0.0014641 k( 540) = ( 0.4807692 0.8086993 0.3279300), wk = 0.0014641 k( 541) = ( 0.4903846 0.8164363 0.3260517), wk = 0.0014641 k( 542) = ( 0.5000000 0.8241734 0.3241734), wk = 0.0014641 k( 543) = ( 0.5000000 0.8241734 0.3241734), wk = 0.0014641 k( 544) = ( 0.5000000 0.8194752 0.3194752), wk = 0.0014641 k( 545) = ( 0.5000000 0.8147771 0.3147771), wk = 0.0014641 k( 546) = ( 0.5000000 0.8100789 0.3100789), wk = 0.0014641 k( 547) = ( 0.5000000 0.8053807 0.3053807), wk = 0.0014641 k( 548) = ( 0.5000000 0.8006826 0.3006826), wk = 0.0014641 k( 549) = ( 0.5000000 0.7959844 0.2959844), wk = 0.0014641 k( 550) = ( 0.5000000 0.7912862 0.2912862), wk = 0.0014641 k( 551) = ( 0.5000000 0.7865881 0.2865881), wk = 0.0014641 k( 552) = ( 0.5000000 0.7818899 0.2818899), wk = 0.0014641 k( 553) = ( 0.5000000 0.7771918 0.2771918), wk = 0.0014641 k( 554) = ( 0.5000000 0.7724936 0.2724936), wk = 0.0014641 k( 555) = ( 0.5000000 0.7677954 0.2677954), wk = 0.0014641 k( 556) = ( 0.5000000 0.7630972 0.2630973), wk = 0.0014641 k( 557) = ( 0.5000000 0.7583991 0.2583991), wk = 0.0014641 k( 558) = ( 0.5000000 0.7537009 0.2537009), wk = 0.0014641 k( 559) = ( 0.5000000 0.7490028 0.2490028), wk = 0.0014641 k( 560) = ( 0.5000000 0.7443046 0.2443046), wk = 0.0014641 k( 561) = ( 0.5000000 0.7396064 0.2396064), wk = 0.0014641 k( 562) = ( 0.5000000 0.7349083 0.2349083), wk = 0.0014641 k( 563) = ( 0.5000000 0.7302101 0.2302101), wk = 0.0014641 k( 564) = ( 0.5000000 0.7255119 0.2255119), wk = 0.0014641 k( 565) = ( 0.5000000 0.7208138 0.2208138), wk = 0.0014641 k( 566) = ( 0.5000000 0.7161156 0.2161156), wk = 0.0014641 k( 567) = ( 0.5000000 0.7114174 0.2114174), wk = 0.0014641 k( 568) = ( 0.5000000 0.7067193 0.2067193), wk = 0.0014641 k( 569) = ( 0.5000000 0.7020211 0.2020211), wk = 0.0014641 k( 570) = ( 0.5000000 0.6973229 0.1973229), wk = 0.0014641 k( 571) = ( 0.5000000 0.6926248 0.1926248), wk = 0.0014641 k( 572) = ( 0.5000000 0.6879266 0.1879266), wk = 0.0014641 k( 573) = ( 0.5000000 0.6832284 0.1832284), wk = 0.0014641 k( 574) = ( 0.5000000 0.6785303 0.1785303), wk = 0.0014641 k( 575) = ( 0.5000000 0.6738321 0.1738321), wk = 0.0014641 k( 576) = ( 0.5000000 0.6691339 0.1691340), wk = 0.0014641 k( 577) = ( 0.5000000 0.6644358 0.1644358), wk = 0.0014641 k( 578) = ( 0.5000000 0.6597376 0.1597376), wk = 0.0014641 k( 579) = ( 0.5000000 0.6550394 0.1550394), wk = 0.0014641 k( 580) = ( 0.5000000 0.6503413 0.1503413), wk = 0.0014641 k( 581) = ( 0.5000000 0.6456431 0.1456431), wk = 0.0014641 k( 582) = ( 0.5000000 0.6409450 0.1409450), wk = 0.0014641 k( 583) = ( 0.5000000 0.6362468 0.1362468), wk = 0.0014641 k( 584) = ( 0.5000000 0.6315486 0.1315486), wk = 0.0014641 k( 585) = ( 0.5000000 0.6268505 0.1268505), wk = 0.0014641 k( 586) = ( 0.5000000 0.6221523 0.1221523), wk = 0.0014641 k( 587) = ( 0.5000000 0.6174541 0.1174541), wk = 0.0014641 k( 588) = ( 0.5000000 0.6127560 0.1127560), wk = 0.0014641 k( 589) = ( 0.5000000 0.6080578 0.1080578), wk = 0.0014641 k( 590) = ( 0.5000000 0.6033596 0.1033596), wk = 0.0014641 k( 591) = ( 0.5000000 0.5986615 0.0986615), wk = 0.0014641 k( 592) = ( 0.5000000 0.5939633 0.0939633), wk = 0.0014641 k( 593) = ( 0.5000000 0.5892651 0.0892651), wk = 0.0014641 k( 594) = ( 0.5000000 0.5845670 0.0845670), wk = 0.0014641 k( 595) = ( 0.5000000 0.5798688 0.0798688), wk = 0.0014641 k( 596) = ( 0.5000000 0.5751706 0.0751706), wk = 0.0014641 k( 597) = ( 0.5000000 0.5704725 0.0704725), wk = 0.0014641 k( 598) = ( 0.5000000 0.5657743 0.0657743), wk = 0.0014641 k( 599) = ( 0.5000000 0.5610761 0.0610761), wk = 0.0014641 k( 600) = ( 0.5000000 0.5563780 0.0563780), wk = 0.0014641 k( 601) = ( 0.5000000 0.5516798 0.0516798), wk = 0.0014641 k( 602) = ( 0.5000000 0.5469816 0.0469816), wk = 0.0014641 k( 603) = ( 0.5000000 0.5422835 0.0422835), wk = 0.0014641 k( 604) = ( 0.5000000 0.5375853 0.0375853), wk = 0.0014641 k( 605) = ( 0.5000000 0.5328872 0.0328872), wk = 0.0014641 k( 606) = ( 0.5000000 0.5281890 0.0281890), wk = 0.0014641 k( 607) = ( 0.5000000 0.5234908 0.0234908), wk = 0.0014641 k( 608) = ( 0.5000000 0.5187927 0.0187927), wk = 0.0014641 k( 609) = ( 0.5000000 0.5140945 0.0140945), wk = 0.0014641 k( 610) = ( 0.5000000 0.5093963 0.0093963), wk = 0.0014641 k( 611) = ( 0.5000000 0.5046982 0.0046982), wk = 0.0014641 k( 612) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014641 k( 613) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0014641 k( 614) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0014641 k( 615) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0014641 k( 616) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0014641 k( 617) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0014641 k( 618) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0014641 k( 619) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0014641 k( 620) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0014641 k( 621) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0014641 k( 622) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0014641 k( 623) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0014641 k( 624) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0014641 k( 625) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0014641 k( 626) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0014641 k( 627) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0014641 k( 628) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0014641 k( 629) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0014641 k( 630) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0014641 k( 631) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0014641 k( 632) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0014641 k( 633) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0014641 k( 634) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0014641 k( 635) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0014641 k( 636) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0014641 k( 637) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0014641 k( 638) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0014641 k( 639) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0014641 k( 640) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0014641 k( 641) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0014641 k( 642) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0014641 k( 643) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0014641 k( 644) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0014641 k( 645) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0014641 k( 646) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0014641 k( 647) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0014641 k( 648) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0014641 k( 649) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0014641 k( 650) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0014641 k( 651) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0014641 k( 652) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0014641 k( 653) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0014641 k( 654) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0014641 k( 655) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0014641 k( 656) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0014641 k( 657) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0014641 k( 658) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0014641 k( 659) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0014641 k( 660) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0014641 k( 661) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0014641 k( 662) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0014641 k( 663) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0014641 k( 664) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0014641 k( 665) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0014641 k( 666) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0014641 k( 667) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0014641 k( 668) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0014641 k( 669) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0014641 k( 670) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0014641 k( 671) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0014641 k( 672) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0014641 k( 673) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0014641 k( 674) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0014641 k( 675) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0014641 k( 676) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0014641 k( 677) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0014641 k( 678) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0014641 k( 679) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0014641 k( 680) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0014641 k( 681) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0014641 k( 682) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0014641 k( 683) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014641 Dense grid: 13815 G-vectors FFT dimensions: ( 45, 40, 27) Smooth grid: 6127 G-vectors FFT dimensions: ( 36, 32, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 20) NL pseudopotentials 0.01 Mb ( 27, 28) Each V/rho on FFT grid 0.03 Mb ( 1800) Each G-vector array 0.00 Mb ( 384) G-vector shells 0.00 Mb ( 341) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 54, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.7 secs Computing kpt #: 21 total cpu time spent up to now is 3.8 secs Computing kpt #: 22 total cpu time spent up to now is 3.9 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.2 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.3 secs Computing kpt #: 31 total cpu time spent up to now is 4.4 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.5 secs Computing kpt #: 34 total cpu time spent up to now is 4.6 secs Computing kpt #: 35 total cpu time spent up to now is 4.6 secs Computing kpt #: 36 total cpu time spent up to now is 4.7 secs Computing kpt #: 37 total cpu time spent up to now is 4.8 secs Computing kpt #: 38 total cpu time spent up to now is 4.8 secs Computing kpt #: 39 total cpu time spent up to now is 4.9 secs Computing kpt #: 40 total cpu time spent up to now is 5.0 secs Computing kpt #: 41 total cpu time spent up to now is 5.0 secs Computing kpt #: 42 total cpu time spent up to now is 5.1 secs Computing kpt #: 43 total cpu time spent up to now is 5.2 secs Computing kpt #: 44 total cpu time spent up to now is 5.2 secs Computing kpt #: 45 total cpu time spent up to now is 5.3 secs Computing kpt #: 46 total cpu time spent up to now is 5.4 secs Computing kpt #: 47 total cpu time spent up to now is 5.5 secs Computing kpt #: 48 total cpu time spent up to now is 5.5 secs Computing kpt #: 49 total cpu time spent up to now is 5.6 secs Computing kpt #: 50 total cpu time spent up to now is 5.7 secs Computing kpt #: 51 total cpu time spent up to now is 5.8 secs Computing kpt #: 52 total cpu time spent up to now is 5.8 secs Computing kpt #: 53 total cpu time spent up to now is 5.9 secs Computing kpt #: 54 total cpu time spent up to now is 6.0 secs Computing kpt #: 55 total cpu time spent up to now is 6.0 secs Computing kpt #: 56 total cpu time spent up to now is 6.1 secs Computing kpt #: 57 total cpu time spent up to now is 6.2 secs Computing kpt #: 58 total cpu time spent up to now is 6.2 secs Computing kpt #: 59 total cpu time spent up to now is 6.3 secs Computing kpt #: 60 total cpu time spent up to now is 6.4 secs Computing kpt #: 61 total cpu time spent up to now is 6.4 secs Computing kpt #: 62 total cpu time spent up to now is 6.5 secs Computing kpt #: 63 total cpu time spent up to now is 6.6 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 6.9 secs Computing kpt #: 70 total cpu time spent up to now is 7.0 secs Computing kpt #: 71 total cpu time spent up to now is 7.0 secs Computing kpt #: 72 total cpu time spent up to now is 7.1 secs Computing kpt #: 73 total cpu time spent up to now is 7.1 secs Computing kpt #: 74 total cpu time spent up to now is 7.2 secs Computing kpt #: 75 total cpu time spent up to now is 7.3 secs Computing kpt #: 76 total cpu time spent up to now is 7.3 secs Computing kpt #: 77 total cpu time spent up to now is 7.4 secs Computing kpt #: 78 total cpu time spent up to now is 7.4 secs Computing kpt #: 79 total cpu time spent up to now is 7.5 secs Computing kpt #: 80 total cpu time spent up to now is 7.6 secs Computing kpt #: 81 total cpu time spent up to now is 7.6 secs Computing kpt #: 82 total cpu time spent up to now is 7.7 secs Computing kpt #: 83 total cpu time spent up to now is 7.7 secs Computing kpt #: 84 total cpu time spent up to now is 7.8 secs Computing kpt #: 85 total cpu time spent up to now is 7.8 secs Computing kpt #: 86 total cpu time spent up to now is 7.9 secs Computing kpt #: 87 total cpu time spent up to now is 8.0 secs Computing kpt #: 88 total cpu time spent up to now is 8.0 secs Computing kpt #: 89 total cpu time spent up to now is 8.1 secs Computing kpt #: 90 total cpu time spent up to now is 8.2 secs Computing kpt #: 91 total cpu time spent up to now is 8.2 secs Computing kpt #: 92 total cpu time spent up to now is 8.3 secs Computing kpt #: 93 total cpu time spent up to now is 8.3 secs Computing kpt #: 94 total cpu time spent up to now is 8.4 secs Computing kpt #: 95 total cpu time spent up to now is 8.5 secs Computing kpt #: 96 total cpu time spent up to now is 8.5 secs Computing kpt #: 97 total cpu time spent up to now is 8.6 secs Computing kpt #: 98 total cpu time spent up to now is 8.7 secs Computing kpt #: 99 total cpu time spent up to now is 8.8 secs Computing kpt #: 100 total cpu time spent up to now is 8.8 secs Computing kpt #: 101 total cpu time spent up to now is 8.9 secs Computing kpt #: 102 total cpu time spent up to now is 9.0 secs Computing kpt #: 103 total cpu time spent up to now is 9.0 secs Computing kpt #: 104 total cpu time spent up to now is 9.1 secs Computing kpt #: 105 total cpu time spent up to now is 9.2 secs Computing kpt #: 106 total cpu time spent up to now is 9.2 secs Computing kpt #: 107 total cpu time spent up to now is 9.3 secs Computing kpt #: 108 total cpu time spent up to now is 9.4 secs Computing kpt #: 109 total cpu time spent up to now is 9.4 secs Computing kpt #: 110 total cpu time spent up to now is 9.5 secs Computing kpt #: 111 total cpu time spent up to now is 9.6 secs Computing kpt #: 112 total cpu time spent up to now is 9.7 secs Computing kpt #: 113 total cpu time spent up to now is 9.7 secs Computing kpt #: 114 total cpu time spent up to now is 9.8 secs Computing kpt #: 115 total cpu time spent up to now is 9.9 secs Computing kpt #: 116 total cpu time spent up to now is 9.9 secs Computing kpt #: 117 total cpu time spent up to now is 10.0 secs Computing kpt #: 118 total cpu time spent up to now is 10.1 secs Computing kpt #: 119 total cpu time spent up to now is 10.2 secs Computing kpt #: 120 total cpu time spent up to now is 10.2 secs Computing kpt #: 121 total cpu time spent up to now is 10.3 secs Computing kpt #: 122 total cpu time spent up to now is 10.4 secs Computing kpt #: 123 total cpu time spent up to now is 10.4 secs Computing kpt #: 124 total cpu time spent up to now is 10.5 secs Computing kpt #: 125 total cpu time spent up to now is 10.6 secs Computing kpt #: 126 total cpu time spent up to now is 10.7 secs Computing kpt #: 127 total cpu time spent up to now is 10.7 secs Computing kpt #: 128 total cpu time spent up to now is 10.8 secs Computing kpt #: 129 total cpu time spent up to now is 10.9 secs Computing kpt #: 130 total cpu time spent up to now is 10.9 secs Computing kpt #: 131 total cpu time spent up to now is 11.0 secs Computing kpt #: 132 total cpu time spent up to now is 11.1 secs Computing kpt #: 133 total cpu time spent up to now is 11.1 secs Computing kpt #: 134 total cpu time spent up to now is 11.2 secs Computing kpt #: 135 total cpu time spent up to now is 11.3 secs Computing kpt #: 136 total cpu time spent up to now is 11.4 secs Computing kpt #: 137 total cpu time spent up to now is 11.4 secs Computing kpt #: 138 total cpu time spent up to now is 11.5 secs Computing kpt #: 139 total cpu time spent up to now is 11.6 secs Computing kpt #: 140 total cpu time spent up to now is 11.7 secs Computing kpt #: 141 total cpu time spent up to now is 11.8 secs Computing kpt #: 142 total cpu time spent up to now is 11.8 secs Computing kpt #: 143 total cpu time spent up to now is 11.9 secs Computing kpt #: 144 total cpu time spent up to now is 12.0 secs Computing kpt #: 145 total cpu time spent up to now is 12.1 secs Computing kpt #: 146 total cpu time spent up to now is 12.1 secs Computing kpt #: 147 total cpu time spent up to now is 12.2 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 12.5 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 12.6 secs Computing kpt #: 153 total cpu time spent up to now is 12.7 secs Computing kpt #: 154 total cpu time spent up to now is 12.8 secs Computing kpt #: 155 total cpu time spent up to now is 12.8 secs Computing kpt #: 156 total cpu time spent up to now is 12.9 secs Computing kpt #: 157 total cpu time spent up to now is 13.0 secs Computing kpt #: 158 total cpu time spent up to now is 13.0 secs Computing kpt #: 159 total cpu time spent up to now is 13.1 secs Computing kpt #: 160 total cpu time spent up to now is 13.2 secs Computing kpt #: 161 total cpu time spent up to now is 13.3 secs Computing kpt #: 162 total cpu time spent up to now is 13.3 secs Computing kpt #: 163 total cpu time spent up to now is 13.4 secs Computing kpt #: 164 total cpu time spent up to now is 13.5 secs Computing kpt #: 165 total cpu time spent up to now is 13.5 secs Computing kpt #: 166 total cpu time spent up to now is 13.6 secs Computing kpt #: 167 total cpu time spent up to now is 13.7 secs Computing kpt #: 168 total cpu time spent up to now is 13.7 secs Computing kpt #: 169 total cpu time spent up to now is 13.8 secs Computing kpt #: 170 total cpu time spent up to now is 13.9 secs Computing kpt #: 171 total cpu time spent up to now is 13.9 secs Computing kpt #: 172 total cpu time spent up to now is 14.0 secs Computing kpt #: 173 total cpu time spent up to now is 14.0 secs Computing kpt #: 174 total cpu time spent up to now is 14.1 secs Computing kpt #: 175 total cpu time spent up to now is 14.2 secs Computing kpt #: 176 total cpu time spent up to now is 14.3 secs Computing kpt #: 177 total cpu time spent up to now is 14.3 secs Computing kpt #: 178 total cpu time spent up to now is 14.5 secs Computing kpt #: 179 total cpu time spent up to now is 14.5 secs Computing kpt #: 180 total cpu time spent up to now is 14.6 secs Computing kpt #: 181 total cpu time spent up to now is 14.7 secs Computing kpt #: 182 total cpu time spent up to now is 14.7 secs Computing kpt #: 183 total cpu time spent up to now is 14.8 secs Computing kpt #: 184 total cpu time spent up to now is 14.8 secs Computing kpt #: 185 total cpu time spent up to now is 14.9 secs Computing kpt #: 186 total cpu time spent up to now is 14.9 secs Computing kpt #: 187 total cpu time spent up to now is 15.0 secs Computing kpt #: 188 total cpu time spent up to now is 15.1 secs Computing kpt #: 189 total cpu time spent up to now is 15.1 secs Computing kpt #: 190 total cpu time spent up to now is 15.2 secs Computing kpt #: 191 total cpu time spent up to now is 15.2 secs Computing kpt #: 192 total cpu time spent up to now is 15.3 secs Computing kpt #: 193 total cpu time spent up to now is 15.3 secs Computing kpt #: 194 total cpu time spent up to now is 15.4 secs Computing kpt #: 195 total cpu time spent up to now is 15.5 secs Computing kpt #: 196 total cpu time spent up to now is 15.5 secs Computing kpt #: 197 total cpu time spent up to now is 15.6 secs Computing kpt #: 198 total cpu time spent up to now is 15.6 secs Computing kpt #: 199 total cpu time spent up to now is 15.7 secs Computing kpt #: 200 total cpu time spent up to now is 15.8 secs Computing kpt #: 201 total cpu time spent up to now is 15.8 secs Computing kpt #: 202 total cpu time spent up to now is 15.9 secs Computing kpt #: 203 total cpu time spent up to now is 15.9 secs Computing kpt #: 204 total cpu time spent up to now is 16.0 secs Computing kpt #: 205 total cpu time spent up to now is 16.0 secs Computing kpt #: 206 total cpu time spent up to now is 16.1 secs Computing kpt #: 207 total cpu time spent up to now is 16.2 secs Computing kpt #: 208 total cpu time spent up to now is 16.2 secs Computing kpt #: 209 total cpu time spent up to now is 16.3 secs Computing kpt #: 210 total cpu time spent up to now is 16.3 secs Computing kpt #: 211 total cpu time spent up to now is 16.4 secs Computing kpt #: 212 total cpu time spent up to now is 16.4 secs Computing kpt #: 213 total cpu time spent up to now is 16.5 secs Computing kpt #: 214 total cpu time spent up to now is 16.6 secs Computing kpt #: 215 total cpu time spent up to now is 16.6 secs Computing kpt #: 216 total cpu time spent up to now is 16.7 secs Computing kpt #: 217 total cpu time spent up to now is 16.7 secs Computing kpt #: 218 total cpu time spent up to now is 16.8 secs Computing kpt #: 219 total cpu time spent up to now is 16.8 secs Computing kpt #: 220 total cpu time spent up to now is 16.9 secs Computing kpt #: 221 total cpu time spent up to now is 17.0 secs Computing kpt #: 222 total cpu time spent up to now is 17.0 secs Computing kpt #: 223 total cpu time spent up to now is 17.1 secs Computing kpt #: 224 total cpu time spent up to now is 17.1 secs Computing kpt #: 225 total cpu time spent up to now is 17.2 secs Computing kpt #: 226 total cpu time spent up to now is 17.2 secs Computing kpt #: 227 total cpu time spent up to now is 17.3 secs Computing kpt #: 228 total cpu time spent up to now is 17.4 secs Computing kpt #: 229 total cpu time spent up to now is 17.4 secs Computing kpt #: 230 total cpu time spent up to now is 17.5 secs Computing kpt #: 231 total cpu time spent up to now is 17.5 secs Computing kpt #: 232 total cpu time spent up to now is 17.6 secs Computing kpt #: 233 total cpu time spent up to now is 17.6 secs Computing kpt #: 234 total cpu time spent up to now is 17.7 secs Computing kpt #: 235 total cpu time spent up to now is 17.8 secs Computing kpt #: 236 total cpu time spent up to now is 17.8 secs Computing kpt #: 237 total cpu time spent up to now is 17.9 secs Computing kpt #: 238 total cpu time spent up to now is 17.9 secs Computing kpt #: 239 total cpu time spent up to now is 18.0 secs Computing kpt #: 240 total cpu time spent up to now is 18.0 secs Computing kpt #: 241 total cpu time spent up to now is 18.1 secs Computing kpt #: 242 total cpu time spent up to now is 18.2 secs Computing kpt #: 243 total cpu time spent up to now is 18.2 secs Computing kpt #: 244 total cpu time spent up to now is 18.3 secs Computing kpt #: 245 total cpu time spent up to now is 18.3 secs Computing kpt #: 246 total cpu time spent up to now is 18.4 secs Computing kpt #: 247 total cpu time spent up to now is 18.4 secs Computing kpt #: 248 total cpu time spent up to now is 18.5 secs Computing kpt #: 249 total cpu time spent up to now is 18.5 secs Computing kpt #: 250 total cpu time spent up to now is 18.6 secs Computing kpt #: 251 total cpu time spent up to now is 18.7 secs Computing kpt #: 252 total cpu time spent up to now is 18.7 secs Computing kpt #: 253 total cpu time spent up to now is 18.8 secs Computing kpt #: 254 total cpu time spent up to now is 18.8 secs Computing kpt #: 255 total cpu time spent up to now is 18.9 secs Computing kpt #: 256 total cpu time spent up to now is 18.9 secs Computing kpt #: 257 total cpu time spent up to now is 19.0 secs Computing kpt #: 258 total cpu time spent up to now is 19.1 secs Computing kpt #: 259 total cpu time spent up to now is 19.1 secs Computing kpt #: 260 total cpu time spent up to now is 19.2 secs Computing kpt #: 261 total cpu time spent up to now is 19.2 secs Computing kpt #: 262 total cpu time spent up to now is 19.3 secs Computing kpt #: 263 total cpu time spent up to now is 19.3 secs Computing kpt #: 264 total cpu time spent up to now is 19.4 secs Computing kpt #: 265 total cpu time spent up to now is 19.5 secs Computing kpt #: 266 total cpu time spent up to now is 19.5 secs Computing kpt #: 267 total cpu time spent up to now is 19.6 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 19.7 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 20.0 secs Computing kpt #: 276 total cpu time spent up to now is 20.1 secs Computing kpt #: 277 total cpu time spent up to now is 20.1 secs Computing kpt #: 278 total cpu time spent up to now is 20.2 secs Computing kpt #: 279 total cpu time spent up to now is 20.3 secs Computing kpt #: 280 total cpu time spent up to now is 20.3 secs Computing kpt #: 281 total cpu time spent up to now is 20.4 secs Computing kpt #: 282 total cpu time spent up to now is 20.4 secs Computing kpt #: 283 total cpu time spent up to now is 20.5 secs Computing kpt #: 284 total cpu time spent up to now is 20.6 secs Computing kpt #: 285 total cpu time spent up to now is 20.6 secs Computing kpt #: 286 total cpu time spent up to now is 20.7 secs Computing kpt #: 287 total cpu time spent up to now is 20.8 secs Computing kpt #: 288 total cpu time spent up to now is 20.8 secs Computing kpt #: 289 total cpu time spent up to now is 20.9 secs Computing kpt #: 290 total cpu time spent up to now is 21.0 secs Computing kpt #: 291 total cpu time spent up to now is 21.0 secs Computing kpt #: 292 total cpu time spent up to now is 21.1 secs Computing kpt #: 293 total cpu time spent up to now is 21.2 secs Computing kpt #: 294 total cpu time spent up to now is 21.2 secs Computing kpt #: 295 total cpu time spent up to now is 21.3 secs Computing kpt #: 296 total cpu time spent up to now is 21.4 secs Computing kpt #: 297 total cpu time spent up to now is 21.5 secs Computing kpt #: 298 total cpu time spent up to now is 21.6 secs Computing kpt #: 299 total cpu time spent up to now is 21.6 secs Computing kpt #: 300 total cpu time spent up to now is 21.7 secs Computing kpt #: 301 total cpu time spent up to now is 21.9 secs Computing kpt #: 302 total cpu time spent up to now is 22.1 secs Computing kpt #: 303 total cpu time spent up to now is 22.2 secs Computing kpt #: 304 total cpu time spent up to now is 22.4 secs Computing kpt #: 305 total cpu time spent up to now is 22.5 secs Computing kpt #: 306 total cpu time spent up to now is 22.6 secs Computing kpt #: 307 total cpu time spent up to now is 22.8 secs Computing kpt #: 308 total cpu time spent up to now is 22.9 secs Computing kpt #: 309 total cpu time spent up to now is 23.0 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 23.4 secs Computing kpt #: 313 total cpu time spent up to now is 23.5 secs Computing kpt #: 314 total cpu time spent up to now is 23.6 secs Computing kpt #: 315 total cpu time spent up to now is 23.7 secs Computing kpt #: 316 total cpu time spent up to now is 23.8 secs Computing kpt #: 317 total cpu time spent up to now is 23.8 secs Computing kpt #: 318 total cpu time spent up to now is 23.9 secs Computing kpt #: 319 total cpu time spent up to now is 24.0 secs Computing kpt #: 320 total cpu time spent up to now is 24.1 secs Computing kpt #: 321 total cpu time spent up to now is 24.2 secs Computing kpt #: 322 total cpu time spent up to now is 24.2 secs Computing kpt #: 323 total cpu time spent up to now is 24.3 secs Computing kpt #: 324 total cpu time spent up to now is 24.4 secs Computing kpt #: 325 total cpu time spent up to now is 24.5 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 24.7 secs Computing kpt #: 329 total cpu time spent up to now is 24.8 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 25.3 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 25.5 secs Computing kpt #: 341 total cpu time spent up to now is 25.6 secs Computing kpt #: 342 total cpu time spent up to now is 25.7 secs Computing kpt #: 343 total cpu time spent up to now is 25.8 secs Computing kpt #: 344 total cpu time spent up to now is 25.8 secs Computing kpt #: 345 total cpu time spent up to now is 25.9 secs Computing kpt #: 346 total cpu time spent up to now is 26.0 secs Computing kpt #: 347 total cpu time spent up to now is 26.0 secs Computing kpt #: 348 total cpu time spent up to now is 26.1 secs Computing kpt #: 349 total cpu time spent up to now is 26.2 secs Computing kpt #: 350 total cpu time spent up to now is 26.3 secs Computing kpt #: 351 total cpu time spent up to now is 26.3 secs Computing kpt #: 352 total cpu time spent up to now is 26.4 secs Computing kpt #: 353 total cpu time spent up to now is 26.5 secs Computing kpt #: 354 total cpu time spent up to now is 26.6 secs Computing kpt #: 355 total cpu time spent up to now is 26.7 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 26.8 secs Computing kpt #: 358 total cpu time spent up to now is 26.9 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 27.4 secs Computing kpt #: 364 total cpu time spent up to now is 27.5 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 27.6 secs Computing kpt #: 367 total cpu time spent up to now is 27.7 secs Computing kpt #: 368 total cpu time spent up to now is 27.8 secs Computing kpt #: 369 total cpu time spent up to now is 27.9 secs Computing kpt #: 370 total cpu time spent up to now is 28.0 secs Computing kpt #: 371 total cpu time spent up to now is 28.1 secs Computing kpt #: 372 total cpu time spent up to now is 28.1 secs Computing kpt #: 373 total cpu time spent up to now is 28.2 secs Computing kpt #: 374 total cpu time spent up to now is 28.3 secs Computing kpt #: 375 total cpu time spent up to now is 28.4 secs Computing kpt #: 376 total cpu time spent up to now is 28.4 secs Computing kpt #: 377 total cpu time spent up to now is 28.5 secs Computing kpt #: 378 total cpu time spent up to now is 28.6 secs Computing kpt #: 379 total cpu time spent up to now is 28.7 secs Computing kpt #: 380 total cpu time spent up to now is 28.7 secs Computing kpt #: 381 total cpu time spent up to now is 28.8 secs Computing kpt #: 382 total cpu time spent up to now is 28.9 secs Computing kpt #: 383 total cpu time spent up to now is 28.9 secs Computing kpt #: 384 total cpu time spent up to now is 29.0 secs Computing kpt #: 385 total cpu time spent up to now is 29.1 secs Computing kpt #: 386 total cpu time spent up to now is 29.2 secs Computing kpt #: 387 total cpu time spent up to now is 29.2 secs Computing kpt #: 388 total cpu time spent up to now is 29.3 secs Computing kpt #: 389 total cpu time spent up to now is 29.4 secs Computing kpt #: 390 total cpu time spent up to now is 29.6 secs Computing kpt #: 391 total cpu time spent up to now is 29.6 secs Computing kpt #: 392 total cpu time spent up to now is 29.7 secs Computing kpt #: 393 total cpu time spent up to now is 29.8 secs Computing kpt #: 394 total cpu time spent up to now is 29.8 secs Computing kpt #: 395 total cpu time spent up to now is 29.9 secs Computing kpt #: 396 total cpu time spent up to now is 30.0 secs Computing kpt #: 397 total cpu time spent up to now is 30.1 secs Computing kpt #: 398 total cpu time spent up to now is 30.1 secs Computing kpt #: 399 total cpu time spent up to now is 30.2 secs Computing kpt #: 400 total cpu time spent up to now is 30.3 secs Computing kpt #: 401 total cpu time spent up to now is 30.4 secs Computing kpt #: 402 total cpu time spent up to now is 30.4 secs Computing kpt #: 403 total cpu time spent up to now is 30.5 secs Computing kpt #: 404 total cpu time spent up to now is 30.6 secs Computing kpt #: 405 total cpu time spent up to now is 30.6 secs Computing kpt #: 406 total cpu time spent up to now is 30.7 secs Computing kpt #: 407 total cpu time spent up to now is 30.8 secs Computing kpt #: 408 total cpu time spent up to now is 30.9 secs Computing kpt #: 409 total cpu time spent up to now is 30.9 secs Computing kpt #: 410 total cpu time spent up to now is 31.0 secs Computing kpt #: 411 total cpu time spent up to now is 31.1 secs Computing kpt #: 412 total cpu time spent up to now is 31.1 secs Computing kpt #: 413 total cpu time spent up to now is 31.2 secs Computing kpt #: 414 total cpu time spent up to now is 31.3 secs Computing kpt #: 415 total cpu time spent up to now is 31.4 secs Computing kpt #: 416 total cpu time spent up to now is 31.4 secs Computing kpt #: 417 total cpu time spent up to now is 31.5 secs Computing kpt #: 418 total cpu time spent up to now is 31.6 secs Computing kpt #: 419 total cpu time spent up to now is 31.7 secs Computing kpt #: 420 total cpu time spent up to now is 31.7 secs Computing kpt #: 421 total cpu time spent up to now is 31.8 secs Computing kpt #: 422 total cpu time spent up to now is 31.9 secs Computing kpt #: 423 total cpu time spent up to now is 31.9 secs Computing kpt #: 424 total cpu time spent up to now is 32.0 secs Computing kpt #: 425 total cpu time spent up to now is 32.1 secs Computing kpt #: 426 total cpu time spent up to now is 32.2 secs Computing kpt #: 427 total cpu time spent up to now is 32.2 secs Computing kpt #: 428 total cpu time spent up to now is 32.3 secs Computing kpt #: 429 total cpu time spent up to now is 32.4 secs Computing kpt #: 430 total cpu time spent up to now is 32.5 secs Computing kpt #: 431 total cpu time spent up to now is 32.5 secs Computing kpt #: 432 total cpu time spent up to now is 32.6 secs Computing kpt #: 433 total cpu time spent up to now is 32.7 secs Computing kpt #: 434 total cpu time spent up to now is 32.8 secs Computing kpt #: 435 total cpu time spent up to now is 32.8 secs Computing kpt #: 436 total cpu time spent up to now is 32.9 secs Computing kpt #: 437 total cpu time spent up to now is 33.0 secs Computing kpt #: 438 total cpu time spent up to now is 33.0 secs Computing kpt #: 439 total cpu time spent up to now is 33.1 secs Computing kpt #: 440 total cpu time spent up to now is 33.2 secs Computing kpt #: 441 total cpu time spent up to now is 33.3 secs Computing kpt #: 442 total cpu time spent up to now is 33.3 secs Computing kpt #: 443 total cpu time spent up to now is 33.4 secs Computing kpt #: 444 total cpu time spent up to now is 33.5 secs Computing kpt #: 445 total cpu time spent up to now is 33.6 secs Computing kpt #: 446 total cpu time spent up to now is 33.6 secs Computing kpt #: 447 total cpu time spent up to now is 33.7 secs Computing kpt #: 448 total cpu time spent up to now is 33.8 secs Computing kpt #: 449 total cpu time spent up to now is 33.8 secs Computing kpt #: 450 total cpu time spent up to now is 33.9 secs Computing kpt #: 451 total cpu time spent up to now is 33.9 secs Computing kpt #: 452 total cpu time spent up to now is 34.0 secs Computing kpt #: 453 total cpu time spent up to now is 34.1 secs Computing kpt #: 454 total cpu time spent up to now is 34.1 secs Computing kpt #: 455 total cpu time spent up to now is 34.2 secs Computing kpt #: 456 total cpu time spent up to now is 34.2 secs Computing kpt #: 457 total cpu time spent up to now is 34.3 secs Computing kpt #: 458 total cpu time spent up to now is 34.4 secs Computing kpt #: 459 total cpu time spent up to now is 34.4 secs Computing kpt #: 460 total cpu time spent up to now is 34.5 secs Computing kpt #: 461 total cpu time spent up to now is 34.5 secs Computing kpt #: 462 total cpu time spent up to now is 34.6 secs Computing kpt #: 463 total cpu time spent up to now is 34.6 secs Computing kpt #: 464 total cpu time spent up to now is 34.7 secs Computing kpt #: 465 total cpu time spent up to now is 34.8 secs Computing kpt #: 466 total cpu time spent up to now is 34.8 secs Computing kpt #: 467 total cpu time spent up to now is 34.9 secs Computing kpt #: 468 total cpu time spent up to now is 34.9 secs Computing kpt #: 469 total cpu time spent up to now is 35.0 secs Computing kpt #: 470 total cpu time spent up to now is 35.1 secs Computing kpt #: 471 total cpu time spent up to now is 35.1 secs Computing kpt #: 472 total cpu time spent up to now is 35.2 secs Computing kpt #: 473 total cpu time spent up to now is 35.2 secs Computing kpt #: 474 total cpu time spent up to now is 35.3 secs Computing kpt #: 475 total cpu time spent up to now is 35.4 secs Computing kpt #: 476 total cpu time spent up to now is 35.5 secs Computing kpt #: 477 total cpu time spent up to now is 35.5 secs Computing kpt #: 478 total cpu time spent up to now is 35.6 secs Computing kpt #: 479 total cpu time spent up to now is 35.7 secs Computing kpt #: 480 total cpu time spent up to now is 35.7 secs Computing kpt #: 481 total cpu time spent up to now is 35.8 secs Computing kpt #: 482 total cpu time spent up to now is 35.9 secs Computing kpt #: 483 total cpu time spent up to now is 35.9 secs Computing kpt #: 484 total cpu time spent up to now is 36.0 secs Computing kpt #: 485 total cpu time spent up to now is 36.1 secs Computing kpt #: 486 total cpu time spent up to now is 36.2 secs Computing kpt #: 487 total cpu time spent up to now is 36.2 secs Computing kpt #: 488 total cpu time spent up to now is 36.3 secs Computing kpt #: 489 total cpu time spent up to now is 36.4 secs Computing kpt #: 490 total cpu time spent up to now is 36.4 secs Computing kpt #: 491 total cpu time spent up to now is 36.5 secs Computing kpt #: 492 total cpu time spent up to now is 36.6 secs Computing kpt #: 493 total cpu time spent up to now is 36.7 secs Computing kpt #: 494 total cpu time spent up to now is 36.7 secs Computing kpt #: 495 total cpu time spent up to now is 36.8 secs Computing kpt #: 496 total cpu time spent up to now is 36.9 secs Computing kpt #: 497 total cpu time spent up to now is 37.0 secs Computing kpt #: 498 total cpu time spent up to now is 37.0 secs Computing kpt #: 499 total cpu time spent up to now is 37.1 secs Computing kpt #: 500 total cpu time spent up to now is 37.2 secs Computing kpt #: 501 total cpu time spent up to now is 37.3 secs Computing kpt #: 502 total cpu time spent up to now is 37.3 secs Computing kpt #: 503 total cpu time spent up to now is 37.4 secs Computing kpt #: 504 total cpu time spent up to now is 37.5 secs Computing kpt #: 505 total cpu time spent up to now is 37.6 secs Computing kpt #: 506 total cpu time spent up to now is 37.6 secs Computing kpt #: 507 total cpu time spent up to now is 37.7 secs Computing kpt #: 508 total cpu time spent up to now is 37.8 secs Computing kpt #: 509 total cpu time spent up to now is 37.9 secs Computing kpt #: 510 total cpu time spent up to now is 37.9 secs Computing kpt #: 511 total cpu time spent up to now is 38.0 secs Computing kpt #: 512 total cpu time spent up to now is 38.1 secs Computing kpt #: 513 total cpu time spent up to now is 38.2 secs Computing kpt #: 514 total cpu time spent up to now is 38.2 secs Computing kpt #: 515 total cpu time spent up to now is 38.3 secs Computing kpt #: 516 total cpu time spent up to now is 38.4 secs Computing kpt #: 517 total cpu time spent up to now is 38.4 secs Computing kpt #: 518 total cpu time spent up to now is 38.5 secs Computing kpt #: 519 total cpu time spent up to now is 38.6 secs Computing kpt #: 520 total cpu time spent up to now is 38.7 secs Computing kpt #: 521 total cpu time spent up to now is 38.7 secs Computing kpt #: 522 total cpu time spent up to now is 38.8 secs Computing kpt #: 523 total cpu time spent up to now is 38.9 secs Computing kpt #: 524 total cpu time spent up to now is 39.0 secs Computing kpt #: 525 total cpu time spent up to now is 39.0 secs Computing kpt #: 526 total cpu time spent up to now is 39.1 secs Computing kpt #: 527 total cpu time spent up to now is 39.2 secs Computing kpt #: 528 total cpu time spent up to now is 39.3 secs Computing kpt #: 529 total cpu time spent up to now is 39.3 secs Computing kpt #: 530 total cpu time spent up to now is 39.4 secs Computing kpt #: 531 total cpu time spent up to now is 39.5 secs Computing kpt #: 532 total cpu time spent up to now is 39.6 secs Computing kpt #: 533 total cpu time spent up to now is 39.6 secs Computing kpt #: 534 total cpu time spent up to now is 39.7 secs Computing kpt #: 535 total cpu time spent up to now is 39.8 secs Computing kpt #: 536 total cpu time spent up to now is 39.9 secs Computing kpt #: 537 total cpu time spent up to now is 39.9 secs Computing kpt #: 538 total cpu time spent up to now is 40.0 secs Computing kpt #: 539 total cpu time spent up to now is 40.1 secs Computing kpt #: 540 total cpu time spent up to now is 40.2 secs Computing kpt #: 541 total cpu time spent up to now is 40.2 secs Computing kpt #: 542 total cpu time spent up to now is 40.3 secs Computing kpt #: 543 total cpu time spent up to now is 40.4 secs Computing kpt #: 544 total cpu time spent up to now is 40.5 secs Computing kpt #: 545 total cpu time spent up to now is 40.5 secs Computing kpt #: 546 total cpu time spent up to now is 40.6 secs Computing kpt #: 547 total cpu time spent up to now is 40.7 secs Computing kpt #: 548 total cpu time spent up to now is 40.8 secs Computing kpt #: 549 total cpu time spent up to now is 40.8 secs Computing kpt #: 550 total cpu time spent up to now is 40.9 secs Computing kpt #: 551 total cpu time spent up to now is 41.0 secs Computing kpt #: 552 total cpu time spent up to now is 41.1 secs Computing kpt #: 553 total cpu time spent up to now is 41.1 secs Computing kpt #: 554 total cpu time spent up to now is 41.2 secs Computing kpt #: 555 total cpu time spent up to now is 41.3 secs Computing kpt #: 556 total cpu time spent up to now is 41.4 secs Computing kpt #: 557 total cpu time spent up to now is 41.5 secs Computing kpt #: 558 total cpu time spent up to now is 41.5 secs Computing kpt #: 559 total cpu time spent up to now is 41.6 secs Computing kpt #: 560 total cpu time spent up to now is 41.7 secs Computing kpt #: 561 total cpu time spent up to now is 41.8 secs Computing kpt #: 562 total cpu time spent up to now is 41.9 secs Computing kpt #: 563 total cpu time spent up to now is 41.9 secs Computing kpt #: 564 total cpu time spent up to now is 42.0 secs Computing kpt #: 565 total cpu time spent up to now is 42.1 secs Computing kpt #: 566 total cpu time spent up to now is 42.2 secs Computing kpt #: 567 total cpu time spent up to now is 42.3 secs Computing kpt #: 568 total cpu time spent up to now is 42.4 secs Computing kpt #: 569 total cpu time spent up to now is 42.5 secs Computing kpt #: 570 total cpu time spent up to now is 42.6 secs Computing kpt #: 571 total cpu time spent up to now is 42.7 secs Computing kpt #: 572 total cpu time spent up to now is 42.8 secs Computing kpt #: 573 total cpu time spent up to now is 42.9 secs Computing kpt #: 574 total cpu time spent up to now is 43.0 secs Computing kpt #: 575 total cpu time spent up to now is 43.0 secs Computing kpt #: 576 total cpu time spent up to now is 43.1 secs Computing kpt #: 577 total cpu time spent up to now is 43.2 secs Computing kpt #: 578 total cpu time spent up to now is 43.3 secs Computing kpt #: 579 total cpu time spent up to now is 43.4 secs Computing kpt #: 580 total cpu time spent up to now is 43.5 secs Computing kpt #: 581 total cpu time spent up to now is 43.5 secs Computing kpt #: 582 total cpu time spent up to now is 43.6 secs Computing kpt #: 583 total cpu time spent up to now is 43.7 secs Computing kpt #: 584 total cpu time spent up to now is 43.7 secs Computing kpt #: 585 total cpu time spent up to now is 43.8 secs Computing kpt #: 586 total cpu time spent up to now is 43.9 secs Computing kpt #: 587 total cpu time spent up to now is 43.9 secs Computing kpt #: 588 total cpu time spent up to now is 44.0 secs Computing kpt #: 589 total cpu time spent up to now is 44.1 secs Computing kpt #: 590 total cpu time spent up to now is 44.1 secs Computing kpt #: 591 total cpu time spent up to now is 44.2 secs Computing kpt #: 592 total cpu time spent up to now is 44.2 secs Computing kpt #: 593 total cpu time spent up to now is 44.3 secs Computing kpt #: 594 total cpu time spent up to now is 44.4 secs Computing kpt #: 595 total cpu time spent up to now is 44.4 secs Computing kpt #: 596 total cpu time spent up to now is 44.6 secs Computing kpt #: 597 total cpu time spent up to now is 44.6 secs Computing kpt #: 598 total cpu time spent up to now is 44.7 secs Computing kpt #: 599 total cpu time spent up to now is 44.7 secs Computing kpt #: 600 total cpu time spent up to now is 44.8 secs Computing kpt #: 601 total cpu time spent up to now is 44.9 secs Computing kpt #: 602 total cpu time spent up to now is 44.9 secs Computing kpt #: 603 total cpu time spent up to now is 45.0 secs Computing kpt #: 604 total cpu time spent up to now is 45.0 secs Computing kpt #: 605 total cpu time spent up to now is 45.1 secs Computing kpt #: 606 total cpu time spent up to now is 45.1 secs Computing kpt #: 607 total cpu time spent up to now is 45.2 secs Computing kpt #: 608 total cpu time spent up to now is 45.3 secs Computing kpt #: 609 total cpu time spent up to now is 45.3 secs Computing kpt #: 610 total cpu time spent up to now is 45.4 secs Computing kpt #: 611 total cpu time spent up to now is 45.4 secs Computing kpt #: 612 total cpu time spent up to now is 45.5 secs Computing kpt #: 613 total cpu time spent up to now is 45.6 secs Computing kpt #: 614 total cpu time spent up to now is 45.6 secs Computing kpt #: 615 total cpu time spent up to now is 45.7 secs Computing kpt #: 616 total cpu time spent up to now is 45.8 secs Computing kpt #: 617 total cpu time spent up to now is 45.9 secs Computing kpt #: 618 total cpu time spent up to now is 45.9 secs Computing kpt #: 619 total cpu time spent up to now is 46.0 secs Computing kpt #: 620 total cpu time spent up to now is 46.1 secs Computing kpt #: 621 total cpu time spent up to now is 46.2 secs Computing kpt #: 622 total cpu time spent up to now is 46.3 secs Computing kpt #: 623 total cpu time spent up to now is 46.3 secs Computing kpt #: 624 total cpu time spent up to now is 46.4 secs Computing kpt #: 625 total cpu time spent up to now is 46.5 secs Computing kpt #: 626 total cpu time spent up to now is 46.6 secs Computing kpt #: 627 total cpu time spent up to now is 46.7 secs Computing kpt #: 628 total cpu time spent up to now is 46.7 secs Computing kpt #: 629 total cpu time spent up to now is 46.8 secs Computing kpt #: 630 total cpu time spent up to now is 46.9 secs Computing kpt #: 631 total cpu time spent up to now is 47.0 secs Computing kpt #: 632 total cpu time spent up to now is 47.1 secs Computing kpt #: 633 total cpu time spent up to now is 47.1 secs Computing kpt #: 634 total cpu time spent up to now is 47.2 secs Computing kpt #: 635 total cpu time spent up to now is 47.3 secs Computing kpt #: 636 total cpu time spent up to now is 47.4 secs Computing kpt #: 637 total cpu time spent up to now is 47.5 secs Computing kpt #: 638 total cpu time spent up to now is 47.5 secs Computing kpt #: 639 total cpu time spent up to now is 47.6 secs Computing kpt #: 640 total cpu time spent up to now is 47.7 secs Computing kpt #: 641 total cpu time spent up to now is 47.8 secs Computing kpt #: 642 total cpu time spent up to now is 47.9 secs Computing kpt #: 643 total cpu time spent up to now is 47.9 secs Computing kpt #: 644 total cpu time spent up to now is 48.0 secs Computing kpt #: 645 total cpu time spent up to now is 48.1 secs Computing kpt #: 646 total cpu time spent up to now is 48.1 secs Computing kpt #: 647 total cpu time spent up to now is 48.2 secs Computing kpt #: 648 total cpu time spent up to now is 48.3 secs Computing kpt #: 649 total cpu time spent up to now is 48.4 secs Computing kpt #: 650 total cpu time spent up to now is 48.4 secs Computing kpt #: 651 total cpu time spent up to now is 48.5 secs Computing kpt #: 652 total cpu time spent up to now is 48.6 secs Computing kpt #: 653 total cpu time spent up to now is 48.6 secs Computing kpt #: 654 total cpu time spent up to now is 48.7 secs Computing kpt #: 655 total cpu time spent up to now is 48.8 secs Computing kpt #: 656 total cpu time spent up to now is 48.8 secs Computing kpt #: 657 total cpu time spent up to now is 48.9 secs Computing kpt #: 658 total cpu time spent up to now is 49.0 secs Computing kpt #: 659 total cpu time spent up to now is 49.0 secs Computing kpt #: 660 total cpu time spent up to now is 49.1 secs Computing kpt #: 661 total cpu time spent up to now is 49.1 secs Computing kpt #: 662 total cpu time spent up to now is 49.2 secs Computing kpt #: 663 total cpu time spent up to now is 49.3 secs Computing kpt #: 664 total cpu time spent up to now is 49.3 secs Computing kpt #: 665 total cpu time spent up to now is 49.4 secs Computing kpt #: 666 total cpu time spent up to now is 49.4 secs Computing kpt #: 667 total cpu time spent up to now is 49.5 secs Computing kpt #: 668 total cpu time spent up to now is 49.6 secs Computing kpt #: 669 total cpu time spent up to now is 49.6 secs Computing kpt #: 670 total cpu time spent up to now is 49.7 secs Computing kpt #: 671 total cpu time spent up to now is 49.7 secs Computing kpt #: 672 total cpu time spent up to now is 49.8 secs Computing kpt #: 673 total cpu time spent up to now is 49.8 secs Computing kpt #: 674 total cpu time spent up to now is 49.9 secs Computing kpt #: 675 total cpu time spent up to now is 50.0 secs Computing kpt #: 676 total cpu time spent up to now is 50.0 secs Computing kpt #: 677 total cpu time spent up to now is 50.1 secs Computing kpt #: 678 total cpu time spent up to now is 50.1 secs Computing kpt #: 679 total cpu time spent up to now is 50.2 secs Computing kpt #: 680 total cpu time spent up to now is 50.2 secs Computing kpt #: 681 total cpu time spent up to now is 50.3 secs Computing kpt #: 682 total cpu time spent up to now is 50.4 secs Computing kpt #: 683 total cpu time spent up to now is 50.4 secs ethr = 8.33E-08, avg # of iterations = 16.1 total cpu time spent up to now is 50.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 775 PWs) bands (ev): -25.1128 -25.1128 -10.3465 -10.3465 -5.9918 -5.9918 -2.9365 -2.9365 -2.6152 -2.6152 4.2685 4.2685 4.8360 4.8360 13.0959 13.0959 15.9975 15.9975 19.1676 19.1676 k = 0.0067-0.0081 0.0068 ( 771 PWs) bands (ev): -25.1124 -25.1124 -10.3461 -10.3461 -5.9915 -5.9915 -2.9371 -2.9371 -2.6164 -2.6164 4.2680 4.2680 4.8351 4.8351 13.0980 13.0980 15.9978 15.9978 19.1682 19.1682 k = 0.0133-0.0163 0.0135 ( 773 PWs) bands (ev): -25.1115 -25.1115 -10.3450 -10.3450 -5.9908 -5.9908 -2.9387 -2.9387 -2.6200 -2.6200 4.2665 4.2665 4.8322 4.8322 13.1044 13.1044 15.9984 15.9984 19.1697 19.1697 k = 0.0200-0.0244 0.0203 ( 769 PWs) bands (ev): -25.1099 -25.1099 -10.3432 -10.3432 -5.9896 -5.9896 -2.9413 -2.9413 -2.6260 -2.6260 4.2640 4.2640 4.8274 4.8274 13.1149 13.1149 15.9998 15.9998 19.1723 19.1723 k = 0.0267-0.0326 0.0270 ( 765 PWs) bands (ev): -25.1077 -25.1077 -10.3407 -10.3407 -5.9879 -5.9879 -2.9450 -2.9450 -2.6343 -2.6343 4.2604 4.2604 4.8208 4.8208 13.1297 13.1297 16.0016 16.0016 19.1760 19.1760 k = 0.0333-0.0407 0.0338 ( 761 PWs) bands (ev): -25.1050 -25.1050 -10.3375 -10.3375 -5.9858 -5.9858 -2.9498 -2.9498 -2.6450 -2.6450 4.2560 4.2560 4.8123 4.8123 13.1485 13.1485 16.0036 16.0036 19.1806 19.1806 k = 0.0400-0.0489 0.0405 ( 765 PWs) bands (ev): -25.1016 -25.1016 -10.3336 -10.3336 -5.9832 -5.9832 -2.9556 -2.9556 -2.6580 -2.6580 4.2504 4.2504 4.8019 4.8019 13.1715 13.1715 16.0060 16.0060 19.1863 19.1863 k = 0.0467-0.0570 0.0473 ( 765 PWs) bands (ev): -25.0976 -25.0976 -10.3290 -10.3290 -5.9802 -5.9802 -2.9625 -2.9625 -2.6733 -2.6733 4.2440 4.2440 4.7897 4.7897 13.1984 13.1984 16.0087 16.0087 19.1931 19.1931 k = 0.0533-0.0652 0.0540 ( 765 PWs) bands (ev): -25.0929 -25.0929 -10.3238 -10.3238 -5.9767 -5.9767 -2.9703 -2.9703 -2.6907 -2.6907 4.2365 4.2365 4.7757 4.7757 13.2292 13.2292 16.0119 16.0119 19.2010 19.2010 k = 0.0600-0.0733 0.0608 ( 761 PWs) bands (ev): -25.0877 -25.0877 -10.3178 -10.3178 -5.9728 -5.9728 -2.9791 -2.9791 -2.7103 -2.7103 4.2282 4.2282 4.7601 4.7601 13.2638 13.2638 16.0154 16.0154 19.2100 19.2100 k = 0.0667-0.0815 0.0675 ( 765 PWs) bands (ev): -25.0820 -25.0820 -10.3111 -10.3111 -5.9684 -5.9684 -2.9889 -2.9889 -2.7320 -2.7320 4.2189 4.2189 4.7426 4.7426 13.3021 13.3021 16.0193 16.0193 19.2200 19.2200 k = 0.0733-0.0896 0.0743 ( 765 PWs) bands (ev): -25.0756 -25.0756 -10.3038 -10.3038 -5.9637 -5.9637 -2.9996 -2.9996 -2.7556 -2.7556 4.2087 4.2087 4.7235 4.7235 13.3440 13.3440 16.0234 16.0234 19.2312 19.2312 k = 0.0800-0.0977 0.0810 ( 765 PWs) bands (ev): -25.0687 -25.0687 -10.2958 -10.2958 -5.9586 -5.9586 -3.0113 -3.0113 -2.7813 -2.7813 4.1976 4.1976 4.7027 4.7027 13.3893 13.3893 16.0278 16.0278 19.2436 19.2436 k = 0.0867-0.1059 0.0878 ( 765 PWs) bands (ev): -25.0612 -25.0612 -10.2872 -10.2872 -5.9531 -5.9531 -3.0239 -3.0239 -2.8087 -2.8087 4.1857 4.1857 4.6804 4.6804 13.4379 13.4379 16.0325 16.0325 19.2571 19.2571 k = 0.0933-0.1140 0.0945 ( 775 PWs) bands (ev): -25.0531 -25.0531 -10.2780 -10.2780 -5.9473 -5.9473 -3.0373 -3.0373 -2.8380 -2.8380 4.1729 4.1729 4.6564 4.6564 13.4896 13.4896 16.0371 16.0371 19.2716 19.2716 k = 0.1000-0.1222 0.1013 ( 771 PWs) bands (ev): -25.0446 -25.0446 -10.2681 -10.2681 -5.9411 -5.9411 -3.0516 -3.0516 -2.8688 -2.8688 4.1594 4.1594 4.6312 4.6312 13.5442 13.5442 16.0422 16.0422 19.2875 19.2875 k = 0.1067-0.1303 0.1080 ( 769 PWs) bands (ev): -25.0355 -25.0355 -10.2576 -10.2576 -5.9346 -5.9346 -3.0667 -3.0667 -2.9012 -2.9012 4.1451 4.1451 4.6044 4.6044 13.6016 13.6016 16.0474 16.0474 19.3045 19.3045 k = 0.1133-0.1385 0.1148 ( 769 PWs) bands (ev): -25.0258 -25.0258 -10.2466 -10.2466 -5.9279 -5.9279 -3.0826 -3.0826 -2.9351 -2.9351 4.1300 4.1300 4.5764 4.5764 13.6616 13.6616 16.0526 16.0526 19.3226 19.3226 k = 0.1200-0.1466 0.1216 ( 769 PWs) bands (ev): -25.0157 -25.0157 -10.2349 -10.2349 -5.9209 -5.9209 -3.0993 -3.0993 -2.9704 -2.9704 4.1142 4.1142 4.5470 4.5470 13.7239 13.7239 16.0580 16.0580 19.3419 19.3419 k = 0.1267-0.1548 0.1283 ( 769 PWs) bands (ev): -25.0052 -25.0052 -10.2227 -10.2227 -5.9137 -5.9137 -3.1167 -3.1167 -3.0068 -3.0068 4.0977 4.0977 4.5165 4.5165 13.7885 13.7885 16.0634 16.0634 19.3622 19.3622 k = 0.1333-0.1629 0.1351 ( 769 PWs) bands (ev): -24.9941 -24.9941 -10.2100 -10.2100 -5.9063 -5.9063 -3.1349 -3.1349 -3.0443 -3.0443 4.0806 4.0806 4.4848 4.4848 13.8549 13.8549 16.0688 16.0688 19.3836 19.3836 k = 0.1400-0.1710 0.1418 ( 769 PWs) bands (ev): -24.9826 -24.9826 -10.1967 -10.1967 -5.8988 -5.8988 -3.1539 -3.1539 -3.0827 -3.0827 4.0629 4.0629 4.4520 4.4520 13.9231 13.9231 16.0741 16.0741 19.4059 19.4059 k = 0.1467-0.1792 0.1486 ( 767 PWs) bands (ev): -24.9707 -24.9707 -10.1829 -10.1829 -5.8911 -5.8911 -3.1739 -3.1739 -3.1216 -3.1216 4.0447 4.0447 4.4182 4.4182 13.9928 13.9928 16.0796 16.0796 19.4291 19.4291 k = 0.1533-0.1873 0.1553 ( 767 PWs) bands (ev): -24.9583 -24.9583 -10.1687 -10.1687 -5.8833 -5.8833 -3.1954 -3.1954 -3.1604 -3.1604 4.0258 4.0258 4.3835 4.3835 14.0638 14.0638 16.0848 16.0848 19.4529 19.4529 k = 0.1600-0.1955 0.1621 ( 765 PWs) bands (ev): -24.9456 -24.9456 -10.1539 -10.1539 -5.8755 -5.8755 -3.2207 -3.2207 -3.1966 -3.1966 4.0065 4.0065 4.3480 4.3480 14.1358 14.1358 16.0899 16.0899 19.4772 19.4772 k = 0.1667-0.2036 0.1688 ( 761 PWs) bands (ev): -24.9325 -24.9325 -10.1388 -10.1388 -5.8676 -5.8676 -3.2543 -3.2543 -3.2255 -3.2255 3.9868 3.9868 4.3117 4.3117 14.2085 14.2085 16.0948 16.0948 19.5017 19.5017 k = 0.1733-0.2118 0.1756 ( 761 PWs) bands (ev): -24.9191 -24.9191 -10.1232 -10.1232 -5.8598 -5.8598 -3.2939 -3.2939 -3.2494 -3.2494 3.9666 3.9666 4.2747 4.2747 14.2818 14.2818 16.0996 16.0996 19.5261 19.5261 k = 0.1800-0.2199 0.1823 ( 757 PWs) bands (ev): -24.9053 -24.9053 -10.1072 -10.1072 -5.8521 -5.8521 -3.3354 -3.3354 -3.2720 -3.2720 3.9460 3.9460 4.2370 4.2370 14.3554 14.3554 16.1042 16.1042 19.5499 19.5499 k = 0.1867-0.2281 0.1891 ( 757 PWs) bands (ev): -24.8912 -24.8912 -10.0909 -10.0909 -5.8445 -5.8445 -3.3777 -3.3777 -3.2944 -3.2944 3.9251 3.9251 4.1987 4.1987 14.4290 14.4290 16.1086 16.1086 19.5726 19.5726 k = 0.1933-0.2362 0.1958 ( 757 PWs) bands (ev): -24.8768 -24.8768 -10.0742 -10.0742 -5.8371 -5.8371 -3.4203 -3.4203 -3.3169 -3.3169 3.9039 3.9039 4.1600 4.1600 14.5025 14.5025 16.1127 16.1127 19.5934 19.5934 k = 0.2000-0.2444 0.2026 ( 757 PWs) bands (ev): -24.8621 -24.8621 -10.0572 -10.0572 -5.8298 -5.8298 -3.4630 -3.4630 -3.3395 -3.3395 3.8824 3.8824 4.1208 4.1208 14.5754 14.5754 16.1165 16.1165 19.6116 19.6116 k = 0.2067-0.2525 0.2093 ( 761 PWs) bands (ev): -24.8473 -24.8473 -10.0399 -10.0399 -5.8229 -5.8229 -3.5056 -3.5056 -3.3624 -3.3624 3.8605 3.8605 4.0812 4.0812 14.6477 14.6477 16.1200 16.1200 19.6260 19.6260 k = 0.2133-0.2606 0.2161 ( 761 PWs) bands (ev): -24.8322 -24.8322 -10.0223 -10.0223 -5.8162 -5.8162 -3.5481 -3.5481 -3.3853 -3.3853 3.8386 3.8386 4.0414 4.0414 14.7191 14.7191 16.1233 16.1233 19.6356 19.6356 k = 0.2200-0.2688 0.2229 ( 757 PWs) bands (ev): -24.8169 -24.8169 -10.0045 -10.0045 -5.8099 -5.8099 -3.5901 -3.5901 -3.4083 -3.4083 3.8166 3.8166 4.0015 4.0015 14.7893 14.7893 16.1263 16.1263 19.6390 19.6390 k = 0.2267-0.2769 0.2296 ( 761 PWs) bands (ev): -24.8014 -24.8014 -9.9865 -9.9865 -5.8041 -5.8041 -3.6318 -3.6318 -3.4314 -3.4314 3.7944 3.7944 3.9614 3.9614 14.8580 14.8580 16.1289 16.1289 19.6348 19.6348 k = 0.2333-0.2851 0.2364 ( 763 PWs) bands (ev): -24.7858 -24.7858 -9.9683 -9.9683 -5.7987 -5.7987 -3.6728 -3.6728 -3.4547 -3.4547 3.7721 3.7721 3.9212 3.9212 14.9253 14.9253 16.1312 16.1312 19.6217 19.6217 k = 0.2400-0.2932 0.2431 ( 767 PWs) bands (ev): -24.7702 -24.7702 -9.9500 -9.9500 -5.7938 -5.7938 -3.7131 -3.7131 -3.4778 -3.4778 3.7497 3.7497 3.8811 3.8811 14.9907 14.9907 16.1331 16.1331 19.5985 19.5985 k = 0.2467-0.3014 0.2499 ( 763 PWs) bands (ev): -24.7544 -24.7544 -9.9315 -9.9315 -5.7894 -5.7894 -3.7526 -3.7526 -3.5009 -3.5009 3.7273 3.7273 3.8413 3.8413 15.0542 15.0542 16.1348 16.1348 19.5646 19.5646 k = 0.2533-0.3095 0.2566 ( 763 PWs) bands (ev): -24.7386 -24.7386 -9.9130 -9.9130 -5.7857 -5.7857 -3.7912 -3.7912 -3.5240 -3.5240 3.7049 3.7049 3.8015 3.8015 15.1155 15.1155 16.1361 16.1361 19.5196 19.5196 k = 0.2600-0.3177 0.2634 ( 763 PWs) bands (ev): -24.7227 -24.7227 -9.8944 -9.8944 -5.7826 -5.7826 -3.8288 -3.8288 -3.5469 -3.5469 3.6824 3.6824 3.7622 3.7622 15.1746 15.1746 16.1370 16.1370 19.4642 19.4642 k = 0.2667-0.3258 0.2701 ( 763 PWs) bands (ev): -24.7068 -24.7068 -9.8758 -9.8758 -5.7802 -5.7802 -3.8652 -3.8652 -3.5697 -3.5697 3.6598 3.6598 3.7234 3.7234 15.2312 15.2312 16.1377 16.1377 19.3992 19.3992 k = 0.2733-0.3340 0.2769 ( 759 PWs) bands (ev): -24.6910 -24.6910 -9.8572 -9.8572 -5.7786 -5.7786 -3.9005 -3.9005 -3.5923 -3.5923 3.6368 3.6368 3.6854 3.6854 15.2852 15.2852 16.1380 16.1380 19.3260 19.3260 k = 0.2800-0.3421 0.2836 ( 757 PWs) bands (ev): -24.6752 -24.6752 -9.8387 -9.8387 -5.7777 -5.7777 -3.9344 -3.9344 -3.6147 -3.6147 3.6128 3.6128 3.6491 3.6491 15.3366 15.3366 16.1379 16.1379 19.2462 19.2462 k = 0.2867-0.3502 0.2904 ( 761 PWs) bands (ev): -24.6594 -24.6594 -9.8202 -9.8202 -5.7776 -5.7776 -3.9671 -3.9671 -3.6368 -3.6368 3.5863 3.5863 3.6159 3.6159 15.3850 15.3850 16.1375 16.1375 19.1614 19.1614 k = 0.2933-0.3584 0.2971 ( 761 PWs) bands (ev): -24.6438 -24.6438 -9.8018 -9.8018 -5.7783 -5.7783 -3.9983 -3.9983 -3.6586 -3.6586 3.5556 3.5556 3.5876 3.5876 15.4306 15.4306 16.1369 16.1369 19.0734 19.0734 k = 0.3000-0.3665 0.3039 ( 759 PWs) bands (ev): -24.6284 -24.6284 -9.7836 -9.7836 -5.7799 -5.7799 -4.0281 -4.0281 -3.6801 -3.6801 3.5219 3.5219 3.5635 3.5635 15.4731 15.4731 16.1360 16.1360 18.9834 18.9834 k = 0.3067-0.3747 0.3106 ( 759 PWs) bands (ev): -24.6131 -24.6131 -9.7656 -9.7656 -5.7822 -5.7822 -4.0564 -4.0564 -3.7012 -3.7012 3.4869 3.4869 3.5415 3.5415 15.5126 15.5126 16.1348 16.1348 18.8928 18.8928 k = 0.3133-0.3828 0.3174 ( 759 PWs) bands (ev): -24.5980 -24.5980 -9.7478 -9.7478 -5.7854 -5.7854 -4.0831 -4.0831 -3.7219 -3.7219 3.4518 3.4518 3.5206 3.5206 15.5490 15.5490 16.1333 16.1333 18.8025 18.8025 k = 0.3200-0.3910 0.3241 ( 763 PWs) bands (ev): -24.5831 -24.5831 -9.7302 -9.7302 -5.7894 -5.7894 -4.1083 -4.1083 -3.7422 -3.7422 3.4170 3.4170 3.5005 3.5005 15.5823 15.5823 16.1316 16.1316 18.7136 18.7136 k = 0.3267-0.3991 0.3309 ( 767 PWs) bands (ev): -24.5684 -24.5684 -9.7129 -9.7129 -5.7941 -5.7941 -4.1319 -4.1319 -3.7620 -3.7620 3.3829 3.3829 3.4810 3.4810 15.6124 15.6124 16.1296 16.1296 18.6267 18.6267 k = 0.3333-0.4073 0.3377 ( 767 PWs) bands (ev): -24.5541 -24.5541 -9.6959 -9.6959 -5.7996 -5.7996 -4.1540 -4.1540 -3.7814 -3.7814 3.3496 3.3496 3.4621 3.4621 15.6393 15.6393 16.1274 16.1274 18.5424 18.5424 k = 0.3400-0.4154 0.3444 ( 767 PWs) bands (ev): -24.5400 -24.5400 -9.6793 -9.6793 -5.8058 -5.8058 -4.1745 -4.1745 -3.8002 -3.8002 3.3170 3.3170 3.4438 3.4438 15.6631 15.6631 16.1251 16.1251 18.4613 18.4613 k = 0.3467-0.4235 0.3512 ( 766 PWs) bands (ev): -24.5263 -24.5263 -9.6631 -9.6631 -5.8126 -5.8126 -4.1935 -4.1935 -3.8184 -3.8184 3.2854 3.2854 3.4260 3.4260 15.6838 15.6838 16.1226 16.1226 18.3838 18.3838 k = 0.3533-0.4317 0.3579 ( 770 PWs) bands (ev): -24.5130 -24.5130 -9.6472 -9.6472 -5.8200 -5.8200 -4.2110 -4.2110 -3.8361 -3.8361 3.2547 3.2547 3.4088 3.4088 15.7014 15.7014 16.1200 16.1200 18.3101 18.3101 k = 0.3600-0.4398 0.3647 ( 774 PWs) bands (ev): -24.5000 -24.5000 -9.6318 -9.6318 -5.8279 -5.8279 -4.2271 -4.2271 -3.8532 -3.8532 3.2250 3.2250 3.3923 3.3923 15.7159 15.7159 16.1172 16.1172 18.2405 18.2405 k = 0.3667-0.4480 0.3714 ( 774 PWs) bands (ev): -24.4875 -24.4875 -9.6169 -9.6169 -5.8362 -5.8362 -4.2418 -4.2418 -3.8697 -3.8697 3.1964 3.1964 3.3763 3.3763 15.7277 15.7277 16.1143 16.1143 18.1752 18.1752 k = 0.3733-0.4561 0.3782 ( 778 PWs) bands (ev): -24.4754 -24.4754 -9.6025 -9.6025 -5.8448 -5.8448 -4.2552 -4.2552 -3.8855 -3.8855 3.1688 3.1688 3.3610 3.3610 15.7367 15.7367 16.1112 16.1112 18.1141 18.1141 k = 0.3800-0.4643 0.3849 ( 778 PWs) bands (ev): -24.4637 -24.4637 -9.5887 -9.5887 -5.8537 -5.8537 -4.2673 -4.2673 -3.9006 -3.9006 3.1425 3.1425 3.3464 3.3464 15.7431 15.7431 16.1083 16.1083 18.0576 18.0576 k = 0.3867-0.4724 0.3917 ( 778 PWs) bands (ev): -24.4525 -24.4525 -9.5754 -9.5754 -5.8628 -5.8628 -4.2782 -4.2782 -3.9150 -3.9150 3.1173 3.1173 3.3324 3.3324 15.7471 15.7471 16.1053 16.1053 18.0053 18.0053 k = 0.3933-0.4806 0.3984 ( 778 PWs) bands (ev): -24.4419 -24.4419 -9.5627 -9.5627 -5.8719 -5.8719 -4.2880 -4.2880 -3.9288 -3.9288 3.0934 3.0934 3.3192 3.3192 15.7490 15.7490 16.1024 16.1024 17.9575 17.9575 k = 0.4000-0.4887 0.4052 ( 778 PWs) bands (ev): -24.4317 -24.4317 -9.5506 -9.5506 -5.8810 -5.8810 -4.2968 -4.2968 -3.9417 -3.9417 3.0707 3.0707 3.3066 3.3066 15.7488 15.7488 16.0994 16.0994 17.9138 17.9138 k = 0.4067-0.4969 0.4119 ( 782 PWs) bands (ev): -24.4222 -24.4222 -9.5391 -9.5391 -5.8901 -5.8901 -4.3046 -4.3046 -3.9540 -3.9540 3.0493 3.0493 3.2948 3.2948 15.7470 15.7470 16.0964 16.0964 17.8742 17.8742 k = 0.4133-0.5050 0.4187 ( 782 PWs) bands (ev): -24.4132 -24.4132 -9.5284 -9.5284 -5.8989 -5.8989 -4.3115 -4.3115 -3.9654 -3.9654 3.0293 3.0293 3.2837 3.2837 15.7438 15.7438 16.0936 16.0936 17.8386 17.8386 k = 0.4200-0.5131 0.4254 ( 782 PWs) bands (ev): -24.4048 -24.4048 -9.5183 -9.5183 -5.9074 -5.9074 -4.3176 -4.3176 -3.9761 -3.9761 3.0106 3.0106 3.2734 3.2734 15.7393 15.7393 16.0909 16.0909 17.8067 17.8067 k = 0.4267-0.5213 0.4322 ( 782 PWs) bands (ev): -24.3970 -24.3970 -9.5090 -9.5090 -5.9156 -5.9156 -4.3229 -4.3229 -3.9860 -3.9860 2.9933 2.9933 3.2639 3.2639 15.7340 15.7340 16.0883 16.0883 17.7783 17.7783 k = 0.4333-0.5294 0.4389 ( 782 PWs) bands (ev): -24.3898 -24.3898 -9.5004 -9.5004 -5.9233 -5.9233 -4.3275 -4.3275 -3.9951 -3.9951 2.9774 2.9774 3.2551 3.2551 15.7281 15.7281 16.0859 16.0859 17.7533 17.7533 k = 0.4400-0.5376 0.4457 ( 782 PWs) bands (ev): -24.3832 -24.3832 -9.4925 -9.4925 -5.9305 -5.9305 -4.3315 -4.3315 -4.0033 -4.0033 2.9630 2.9630 3.2471 3.2471 15.7219 15.7219 16.0836 16.0836 17.7314 17.7314 k = 0.4467-0.5457 0.4525 ( 778 PWs) bands (ev): -24.3773 -24.3773 -9.4855 -9.4855 -5.9371 -5.9371 -4.3349 -4.3349 -4.0107 -4.0107 2.9500 2.9500 3.2401 3.2401 15.7156 15.7156 16.0816 16.0816 17.7124 17.7124 k = 0.4533-0.5539 0.4592 ( 778 PWs) bands (ev): -24.3721 -24.3721 -9.4792 -9.4792 -5.9431 -5.9431 -4.3378 -4.3378 -4.0172 -4.0172 2.9385 2.9385 3.2338 3.2338 15.7094 15.7094 16.0797 16.0797 17.6962 17.6962 k = 0.4600-0.5620 0.4660 ( 780 PWs) bands (ev): -24.3675 -24.3675 -9.4737 -9.4737 -5.9484 -5.9484 -4.3402 -4.3402 -4.0229 -4.0229 2.9285 2.9285 3.2282 3.2282 15.7035 15.7035 16.0781 16.0781 17.6824 17.6824 k = 0.4667-0.5702 0.4727 ( 780 PWs) bands (ev): -24.3637 -24.3637 -9.4691 -9.4691 -5.9530 -5.9530 -4.3422 -4.3422 -4.0277 -4.0277 2.9200 2.9200 3.2236 3.2236 15.6983 15.6983 16.0767 16.0767 17.6712 17.6712 k = 0.4733-0.5783 0.4795 ( 780 PWs) bands (ev): -24.3605 -24.3605 -9.4653 -9.4653 -5.9568 -5.9568 -4.3437 -4.3437 -4.0317 -4.0317 2.9130 2.9130 3.2197 3.2197 15.6938 15.6938 16.0755 16.0755 17.6621 17.6621 k = 0.4800-0.5865 0.4862 ( 780 PWs) bands (ev): -24.3580 -24.3580 -9.4623 -9.4623 -5.9598 -5.9598 -4.3449 -4.3449 -4.0348 -4.0348 2.9076 2.9076 3.2168 3.2168 15.6901 15.6901 16.0746 16.0746 17.6552 17.6552 k = 0.4867-0.5946 0.4930 ( 780 PWs) bands (ev): -24.3562 -24.3562 -9.4602 -9.4602 -5.9619 -5.9619 -4.3458 -4.3458 -4.0370 -4.0370 2.9037 2.9037 3.2146 3.2146 15.6874 15.6874 16.0739 16.0739 17.6503 17.6503 k = 0.4933-0.6027 0.4997 ( 776 PWs) bands (ev): -24.3552 -24.3552 -9.4589 -9.4589 -5.9632 -5.9632 -4.3463 -4.3463 -4.0383 -4.0383 2.9014 2.9014 3.2133 3.2133 15.6858 15.6858 16.0735 16.0735 17.6475 17.6475 k = 0.5000-0.6109 0.5065 ( 776 PWs) bands (ev): -24.3548 -24.3548 -9.4585 -9.4585 -5.9637 -5.9637 -4.3464 -4.3464 -4.0388 -4.0388 2.9006 2.9006 3.2129 3.2129 15.6852 15.6852 16.0734 16.0734 17.6465 17.6465 k = 0.5000-0.6109 0.5065 ( 776 PWs) bands (ev): -24.3548 -24.3548 -9.4585 -9.4585 -5.9637 -5.9637 -4.3464 -4.3464 -4.0388 -4.0388 2.9006 2.9006 3.2129 3.2129 15.6852 15.6852 16.0734 16.0734 17.6465 17.6465 k = 0.5106-0.6057 0.5022 ( 776 PWs) bands (ev): -24.3548 -24.3548 -9.4595 -9.4595 -5.9633 -5.9633 -4.3448 -4.3448 -4.0391 -4.0391 2.8992 2.8992 3.2138 3.2138 15.6673 15.6673 16.0916 16.0916 17.6490 17.6490 k = 0.5213-0.6006 0.4979 ( 776 PWs) bands (ev): -24.3546 -24.3546 -9.4627 -9.4627 -5.9620 -5.9620 -4.3401 -4.3401 -4.0402 -4.0402 2.8948 2.8948 3.2165 3.2165 15.6212 15.6212 16.1385 16.1385 17.6566 17.6566 k = 0.5319-0.5954 0.4936 ( 776 PWs) bands (ev): -24.3543 -24.3543 -9.4679 -9.4679 -5.9599 -5.9599 -4.3322 -4.3322 -4.0420 -4.0420 2.8876 2.8876 3.2209 3.2209 15.5596 15.5596 16.2015 16.2015 17.6692 17.6692 k = 0.5426-0.5902 0.4894 ( 776 PWs) bands (ev): -24.3540 -24.3540 -9.4752 -9.4752 -5.9571 -5.9571 -4.3212 -4.3212 -4.0445 -4.0445 2.8775 2.8775 3.2271 3.2271 15.4905 15.4905 16.2723 16.2723 17.6868 17.6868 k = 0.5532-0.5851 0.4851 ( 776 PWs) bands (ev): -24.3535 -24.3535 -9.4845 -9.4845 -5.9534 -5.9534 -4.3072 -4.3072 -4.0477 -4.0477 2.8646 2.8646 3.2350 3.2350 15.4181 15.4181 16.3464 16.3464 17.7093 17.7093 k = 0.5638-0.5799 0.4808 ( 780 PWs) bands (ev): -24.3530 -24.3530 -9.4957 -9.4957 -5.9489 -5.9489 -4.2902 -4.2902 -4.0515 -4.0515 2.8489 2.8489 3.2446 3.2446 15.3446 15.3446 16.4216 16.4216 17.7367 17.7367 k = 0.5745-0.5748 0.4765 ( 780 PWs) bands (ev): -24.3523 -24.3523 -9.5087 -9.5087 -5.9436 -5.9436 -4.2705 -4.2705 -4.0561 -4.0561 2.8306 2.8306 3.2558 3.2558 15.2712 15.2712 16.4962 16.4962 17.7687 17.7687 k = 0.5851-0.5696 0.4723 ( 780 PWs) bands (ev): -24.3515 -24.3515 -9.5235 -9.5235 -5.9376 -5.9376 -4.2480 -4.2480 -4.0612 -4.0612 2.8098 2.8098 3.2687 3.2687 15.1986 15.1986 16.5690 16.5690 17.8054 17.8054 k = 0.5957-0.5644 0.4680 ( 778 PWs) bands (ev): -24.3507 -24.3507 -9.5399 -9.5399 -5.9308 -5.9308 -4.2229 -4.2229 -4.0669 -4.0669 2.7865 2.7865 3.2831 3.2831 15.1274 15.1274 16.6390 16.6390 17.8466 17.8466 k = 0.6064-0.5593 0.4637 ( 778 PWs) bands (ev): -24.3498 -24.3498 -9.5579 -9.5579 -5.9233 -5.9233 -4.1954 -4.1954 -4.0732 -4.0732 2.7609 2.7609 3.2990 3.2990 15.0579 15.0579 16.7054 16.7054 17.8920 17.8920 k = 0.6170-0.5541 0.4594 ( 770 PWs) bands (ev): -24.3487 -24.3487 -9.5772 -9.5772 -5.9151 -5.9151 -4.1656 -4.1656 -4.0800 -4.0800 2.7330 2.7330 3.3163 3.3163 14.9905 14.9905 16.7673 16.7673 17.9416 17.9416 k = 0.6277-0.5490 0.4551 ( 770 PWs) bands (ev): -24.3477 -24.3477 -9.5978 -9.5978 -5.9062 -5.9062 -4.1337 -4.1337 -4.0874 -4.0874 2.7031 2.7031 3.3350 3.3350 14.9253 14.9253 16.8237 16.8237 17.9952 17.9952 k = 0.6383-0.5438 0.4509 ( 770 PWs) bands (ev): -24.3465 -24.3465 -9.6196 -9.6196 -5.8967 -5.8967 -4.0999 -4.0999 -4.0952 -4.0952 2.6713 2.6713 3.3548 3.3548 14.8626 14.8626 16.8739 16.8739 18.0525 18.0525 k = 0.6489-0.5386 0.4466 ( 766 PWs) bands (ev): -24.3453 -24.3453 -9.6424 -9.6424 -5.8866 -5.8866 -4.1034 -4.1034 -4.0643 -4.0643 2.6377 2.6377 3.3759 3.3759 14.8026 14.8026 16.9171 16.9171 18.1134 18.1134 k = 0.6596-0.5335 0.4423 ( 768 PWs) bands (ev): -24.3440 -24.3440 -9.6661 -9.6661 -5.8760 -5.8760 -4.1120 -4.1120 -4.0272 -4.0272 2.6025 2.6025 3.3980 3.3980 14.7453 14.7453 16.9524 16.9524 18.1777 18.1777 k = 0.6702-0.5283 0.4380 ( 764 PWs) bands (ev): -24.3427 -24.3427 -9.6905 -9.6905 -5.8648 -5.8648 -4.1209 -4.1209 -3.9886 -3.9886 2.5659 2.5659 3.4211 3.4211 14.6911 14.6911 16.9791 16.9791 18.2451 18.2451 k = 0.6809-0.5232 0.4337 ( 764 PWs) bands (ev): -24.3413 -24.3413 -9.7156 -9.7156 -5.8531 -5.8531 -4.1301 -4.1301 -3.9489 -3.9489 2.5280 2.5280 3.4450 3.4450 14.6398 14.6398 16.9965 16.9965 18.3154 18.3154 k = 0.6915-0.5180 0.4295 ( 764 PWs) bands (ev): -24.3399 -24.3399 -9.7411 -9.7411 -5.8410 -5.8410 -4.1396 -4.1396 -3.9082 -3.9082 2.4890 2.4890 3.4697 3.4697 14.5916 14.5916 17.0042 17.0042 18.3883 18.3883 k = 0.7021-0.5128 0.4252 ( 764 PWs) bands (ev): -24.3384 -24.3384 -9.7670 -9.7670 -5.8285 -5.8285 -4.1492 -4.1492 -3.8667 -3.8667 2.4491 2.4491 3.4950 3.4950 14.5468 14.5468 17.0018 17.0018 18.4636 18.4636 k = 0.7128-0.5077 0.4209 ( 764 PWs) bands (ev): -24.3369 -24.3369 -9.7931 -9.7931 -5.8157 -5.8157 -4.1590 -4.1590 -3.8245 -3.8245 2.4085 2.4085 3.5209 3.5209 14.5052 14.5052 16.9893 16.9893 18.5410 18.5410 k = 0.7234-0.5025 0.4166 ( 764 PWs) bands (ev): -24.3354 -24.3354 -9.8193 -9.8193 -5.8025 -5.8025 -4.1690 -4.1690 -3.7820 -3.7820 2.3673 2.3673 3.5472 3.5472 14.4672 14.4672 16.9667 16.9667 18.6202 18.6202 k = 0.7340-0.4974 0.4124 ( 764 PWs) bands (ev): -24.3339 -24.3339 -9.8455 -9.8455 -5.7892 -5.7892 -4.1790 -4.1790 -3.7392 -3.7392 2.3258 2.3258 3.5738 3.5738 14.4326 14.4326 16.9341 16.9341 18.7011 18.7011 k = 0.7447-0.4922 0.4081 ( 764 PWs) bands (ev): -24.3323 -24.3323 -9.8716 -9.8716 -5.7756 -5.7756 -4.1890 -4.1890 -3.6963 -3.6963 2.2841 2.2841 3.6006 3.6006 14.4017 14.4017 16.8922 16.8922 18.7832 18.7832 k = 0.7553-0.4870 0.4038 ( 764 PWs) bands (ev): -24.3308 -24.3308 -9.8974 -9.8974 -5.7620 -5.7620 -4.1989 -4.1989 -3.6536 -3.6536 2.2424 2.2424 3.6275 3.6275 14.3744 14.3744 16.8416 16.8416 18.8664 18.8664 k = 0.7660-0.4819 0.3995 ( 764 PWs) bands (ev): -24.3292 -24.3292 -9.9229 -9.9229 -5.7482 -5.7482 -4.2089 -4.2089 -3.6112 -3.6112 2.2009 2.2009 3.6543 3.6543 14.3508 14.3508 16.7828 16.7828 18.9503 18.9503 k = 0.7766-0.4767 0.3952 ( 764 PWs) bands (ev): -24.3277 -24.3277 -9.9479 -9.9479 -5.7345 -5.7345 -4.2186 -4.2186 -3.5693 -3.5693 2.1597 2.1597 3.6809 3.6809 14.3310 14.3310 16.7168 16.7168 19.0345 19.0345 k = 0.7872-0.4716 0.3910 ( 764 PWs) bands (ev): -24.3262 -24.3262 -9.9724 -9.9724 -5.7208 -5.7208 -4.2283 -4.2283 -3.5281 -3.5281 2.1192 2.1192 3.7073 3.7073 14.3151 14.3151 16.6445 16.6445 19.1189 19.1189 k = 0.7979-0.4664 0.3867 ( 760 PWs) bands (ev): -24.3246 -24.3246 -9.9963 -9.9963 -5.7072 -5.7072 -4.2377 -4.2377 -3.4877 -3.4877 2.0793 2.0793 3.7333 3.7333 14.3031 14.3031 16.5669 16.5669 19.2030 19.2030 k = 0.8085-0.4612 0.3824 ( 758 PWs) bands (ev): -24.3231 -24.3231 -10.0194 -10.0194 -5.6939 -5.6939 -4.2469 -4.2469 -3.4482 -3.4482 2.0403 2.0403 3.7588 3.7588 14.2949 14.2949 16.4845 16.4845 19.2865 19.2865 k = 0.8191-0.4561 0.3781 ( 758 PWs) bands (ev): -24.3217 -24.3217 -10.0417 -10.0417 -5.6808 -5.6808 -4.2559 -4.2559 -3.4100 -3.4100 2.0024 2.0024 3.7836 3.7836 14.2907 14.2907 16.3985 16.3985 19.3692 19.3692 k = 0.8298-0.4509 0.3739 ( 758 PWs) bands (ev): -24.3203 -24.3203 -10.0632 -10.0632 -5.6680 -5.6680 -4.2645 -4.2645 -3.3731 -3.3731 1.9657 1.9657 3.8077 3.8077 14.2905 14.2905 16.3096 16.3096 19.4505 19.4505 k = 0.8404-0.4458 0.3696 ( 758 PWs) bands (ev): -24.3190 -24.3190 -10.0837 -10.0837 -5.6555 -5.6555 -4.2728 -4.2728 -3.3376 -3.3376 1.9304 1.9304 3.8309 3.8309 14.2942 14.2942 16.2187 16.2187 19.5302 19.5302 k = 0.8511-0.4406 0.3653 ( 758 PWs) bands (ev): -24.3177 -24.3177 -10.1031 -10.1031 -5.6435 -5.6435 -4.2807 -4.2807 -3.3037 -3.3037 1.8966 1.8966 3.8532 3.8532 14.3019 14.3019 16.1264 16.1264 19.6079 19.6079 k = 0.8617-0.4354 0.3610 ( 756 PWs) bands (ev): -24.3165 -24.3165 -10.1215 -10.1215 -5.6321 -5.6321 -4.2881 -4.2881 -3.2715 -3.2715 1.8644 1.8644 3.8744 3.8744 14.3135 14.3135 16.0333 16.0333 19.6832 19.6832 k = 0.8723-0.4303 0.3567 ( 756 PWs) bands (ev): -24.3153 -24.3153 -10.1388 -10.1388 -5.6212 -5.6212 -4.2952 -4.2952 -3.2412 -3.2412 1.8341 1.8341 3.8945 3.8945 14.3291 14.3291 15.9402 15.9402 19.7556 19.7556 k = 0.8830-0.4251 0.3525 ( 756 PWs) bands (ev): -24.3142 -24.3142 -10.1548 -10.1548 -5.6109 -5.6109 -4.3018 -4.3018 -3.2129 -3.2129 1.8056 1.8056 3.9133 3.9133 14.3484 14.3484 15.8478 15.8478 19.8247 19.8247 k = 0.8936-0.4200 0.3482 ( 756 PWs) bands (ev): -24.3132 -24.3132 -10.1697 -10.1697 -5.6013 -5.6013 -4.3079 -4.3079 -3.1866 -3.1866 1.7793 1.7793 3.9308 3.9308 14.3715 14.3715 15.7565 15.7565 19.8901 19.8901 k = 0.9043-0.4148 0.3439 ( 760 PWs) bands (ev): -24.3123 -24.3123 -10.1832 -10.1832 -5.5924 -5.5924 -4.3135 -4.3135 -3.1626 -3.1626 1.7550 1.7550 3.9468 3.9468 14.3981 14.3981 15.6668 15.6668 19.9512 19.9512 k = 0.9149-0.4096 0.3396 ( 756 PWs) bands (ev): -24.3114 -24.3114 -10.1954 -10.1954 -5.5843 -5.5843 -4.3185 -4.3185 -3.1408 -3.1408 1.7331 1.7331 3.9614 3.9614 14.4282 14.4282 15.5796 15.5796 20.0077 20.0077 k = 0.9255-0.4045 0.3353 ( 756 PWs) bands (ev): -24.3107 -24.3107 -10.2063 -10.2063 -5.5771 -5.5771 -4.3230 -4.3230 -3.1213 -3.1213 1.7135 1.7135 3.9744 3.9744 14.4613 14.4613 15.4953 15.4953 20.0590 20.0590 k = 0.9362-0.3993 0.3311 ( 756 PWs) bands (ev): -24.3100 -24.3100 -10.2158 -10.2158 -5.5707 -5.5707 -4.3270 -4.3270 -3.1044 -3.1044 1.6963 1.6963 3.9859 3.9859 14.4970 14.4970 15.4147 15.4147 20.1046 20.1046 k = 0.9468-0.3942 0.3268 ( 754 PWs) bands (ev): -24.3095 -24.3095 -10.2238 -10.2238 -5.5653 -5.5653 -4.3303 -4.3303 -3.0898 -3.0898 1.6817 1.6817 3.9957 3.9957 14.5345 14.5345 15.3389 15.3389 20.1442 20.1442 k = 0.9574-0.3890 0.3225 ( 754 PWs) bands (ev): -24.3090 -24.3090 -10.2305 -10.2305 -5.5608 -5.5608 -4.3331 -4.3331 -3.0779 -3.0779 1.6696 1.6696 4.0037 4.0037 14.5726 14.5726 15.2691 15.2691 20.1772 20.1772 k = 0.9681-0.3838 0.3182 ( 750 PWs) bands (ev): -24.3086 -24.3086 -10.2356 -10.2356 -5.5572 -5.5572 -4.3352 -4.3352 -3.0685 -3.0685 1.6602 1.6602 4.0101 4.0101 14.6094 14.6094 15.2075 15.2075 20.2033 20.2033 k = 0.9787-0.3787 0.3140 ( 748 PWs) bands (ev): -24.3083 -24.3083 -10.2393 -10.2393 -5.5547 -5.5547 -4.3368 -4.3368 -3.0618 -3.0618 1.6534 1.6534 4.0146 4.0146 14.6417 14.6417 15.1575 15.1575 20.2222 20.2222 k = 0.9894-0.3735 0.3097 ( 752 PWs) bands (ev): -24.3082 -24.3082 -10.2416 -10.2416 -5.5532 -5.5532 -4.3377 -4.3377 -3.0578 -3.0578 1.6493 1.6493 4.0173 4.0173 14.6645 14.6645 15.1238 15.1238 20.2337 20.2337 k = 1.0000-0.3684 0.3054 ( 754 PWs) bands (ev): -24.3082 -24.3082 -10.2423 -10.2423 -5.5527 -5.5527 -4.3380 -4.3380 -3.0565 -3.0565 1.6479 1.6479 4.0182 4.0182 14.6730 14.6730 15.1117 15.1117 20.2375 20.2375 k = 1.0000-0.3684 0.3054 ( 754 PWs) bands (ev): -24.3082 -24.3082 -10.2423 -10.2423 -5.5527 -5.5527 -4.3380 -4.3380 -3.0565 -3.0565 1.6479 1.6479 4.0182 4.0182 14.6730 14.6730 15.1117 15.1117 20.2375 20.2375 k = 0.9933-0.3602 0.2986 ( 754 PWs) bands (ev): -24.3085 -24.3085 -10.2431 -10.2431 -5.5517 -5.5517 -4.3376 -4.3376 -3.0565 -3.0565 1.6494 1.6494 4.0185 4.0185 14.6717 14.6717 15.1129 15.1129 20.2366 20.2366 k = 0.9867-0.3521 0.2919 ( 754 PWs) bands (ev): -24.3095 -24.3095 -10.2456 -10.2456 -5.5490 -5.5490 -4.3362 -4.3362 -3.0566 -3.0566 1.6536 1.6536 4.0195 4.0195 14.6678 14.6678 15.1165 15.1165 20.2339 20.2339 k = 0.9800-0.3439 0.2851 ( 754 PWs) bands (ev): -24.3111 -24.3111 -10.2498 -10.2498 -5.5444 -5.5444 -4.3338 -4.3338 -3.0567 -3.0567 1.6608 1.6608 4.0211 4.0211 14.6613 14.6613 15.1225 15.1225 20.2295 20.2295 k = 0.9733-0.3358 0.2784 ( 750 PWs) bands (ev): -24.3134 -24.3134 -10.2555 -10.2555 -5.5380 -5.5380 -4.3305 -4.3305 -3.0568 -3.0568 1.6707 1.6707 4.0234 4.0234 14.6525 14.6525 15.1308 15.1308 20.2234 20.2234 k = 0.9667-0.3276 0.2716 ( 750 PWs) bands (ev): -24.3163 -24.3163 -10.2630 -10.2630 -5.5297 -5.5297 -4.3263 -4.3263 -3.0570 -3.0570 1.6835 1.6835 4.0264 4.0264 14.6409 14.6409 15.1414 15.1414 20.2156 20.2156 k = 0.9600-0.3195 0.2649 ( 754 PWs) bands (ev): -24.3199 -24.3199 -10.2720 -10.2720 -5.5197 -5.5197 -4.3211 -4.3211 -3.0573 -3.0573 1.6989 1.6989 4.0299 4.0299 14.6269 14.6269 15.1541 15.1541 20.2063 20.2063 k = 0.9533-0.3113 0.2581 ( 754 PWs) bands (ev): -24.3241 -24.3241 -10.2825 -10.2825 -5.5078 -5.5078 -4.3151 -4.3151 -3.0576 -3.0576 1.7172 1.7172 4.0341 4.0341 14.6105 14.6105 15.1689 15.1689 20.1954 20.1954 k = 0.9467-0.3032 0.2514 ( 756 PWs) bands (ev): -24.3290 -24.3290 -10.2946 -10.2946 -5.4942 -5.4942 -4.3081 -4.3081 -3.0579 -3.0579 1.7382 1.7382 4.0390 4.0390 14.5917 14.5917 15.1858 15.1858 20.1831 20.1831 k = 0.9400-0.2951 0.2446 ( 756 PWs) bands (ev): -24.3345 -24.3345 -10.3083 -10.3083 -5.4788 -5.4788 -4.3002 -4.3002 -3.0582 -3.0582 1.7618 1.7618 4.0444 4.0444 14.5706 14.5706 15.2044 15.2044 20.1696 20.1696 k = 0.9333-0.2869 0.2379 ( 756 PWs) bands (ev): -24.3405 -24.3405 -10.3234 -10.3234 -5.4616 -5.4616 -4.2914 -4.2914 -3.0586 -3.0586 1.7881 1.7881 4.0505 4.0505 14.5473 14.5473 15.2248 15.2248 20.1547 20.1547 k = 0.9267-0.2788 0.2311 ( 760 PWs) bands (ev): -24.3472 -24.3472 -10.3399 -10.3399 -5.4428 -5.4428 -4.2818 -4.2818 -3.0591 -3.0591 1.8169 1.8169 4.0572 4.0572 14.5218 14.5218 15.2466 15.2466 20.1387 20.1387 k = 0.9200-0.2706 0.2244 ( 760 PWs) bands (ev): -24.3544 -24.3544 -10.3578 -10.3578 -5.4222 -5.4222 -4.2712 -4.2712 -3.0595 -3.0595 1.8482 1.8482 4.0645 4.0645 14.4943 14.4943 15.2698 15.2698 20.1217 20.1217 k = 0.9133-0.2625 0.2176 ( 760 PWs) bands (ev): -24.3622 -24.3622 -10.3770 -10.3770 -5.4001 -5.4001 -4.2598 -4.2598 -3.0599 -3.0599 1.8820 1.8820 4.0723 4.0723 14.4649 14.4649 15.2940 15.2940 20.1036 20.1036 k = 0.9067-0.2543 0.2109 ( 764 PWs) bands (ev): -24.3706 -24.3706 -10.3975 -10.3975 -5.3762 -5.3762 -4.2476 -4.2476 -3.0604 -3.0604 1.9181 1.9181 4.0808 4.0808 14.4334 14.4334 15.3191 15.3191 20.0847 20.0847 k = 0.9000-0.2462 0.2041 ( 756 PWs) bands (ev): -24.3795 -24.3795 -10.4193 -10.4193 -5.3508 -5.3508 -4.2346 -4.2346 -3.0608 -3.0608 1.9566 1.9566 4.0898 4.0898 14.4003 14.4003 15.3448 15.3448 20.0650 20.0650 k = 0.8933-0.2380 0.1974 ( 756 PWs) bands (ev): -24.3888 -24.3888 -10.4422 -10.4422 -5.3238 -5.3238 -4.2207 -4.2207 -3.0613 -3.0613 1.9973 1.9973 4.0994 4.0994 14.3655 14.3655 15.3706 15.3706 20.0444 20.0444 k = 0.8867-0.2299 0.1906 ( 756 PWs) bands (ev): -24.3987 -24.3987 -10.4662 -10.4662 -5.2953 -5.2953 -4.2061 -4.2061 -3.0617 -3.0617 2.0401 2.0401 4.1095 4.1095 14.3291 14.3291 15.3964 15.3964 20.0230 20.0230 k = 0.8800-0.2217 0.1838 ( 756 PWs) bands (ev): -24.4091 -24.4091 -10.4912 -10.4912 -5.2654 -5.2654 -4.1907 -4.1907 -3.0621 -3.0621 2.0850 2.0850 4.1201 4.1201 14.2912 14.2912 15.4217 15.4217 20.0008 20.0008 k = 0.8733-0.2136 0.1771 ( 754 PWs) bands (ev): -24.4199 -24.4199 -10.5172 -10.5172 -5.2340 -5.2340 -4.1745 -4.1745 -3.0625 -3.0625 2.1319 2.1319 4.1312 4.1312 14.2519 14.2519 15.4463 15.4463 19.9781 19.9781 k = 0.8667-0.2055 0.1703 ( 754 PWs) bands (ev): -24.4311 -24.4311 -10.5442 -10.5442 -5.2012 -5.2012 -4.1576 -4.1576 -3.0629 -3.0629 2.1807 2.1807 4.1428 4.1428 14.2113 14.2113 15.4695 15.4695 19.9546 19.9546 k = 0.8600-0.1973 0.1636 ( 750 PWs) bands (ev): -24.4427 -24.4427 -10.5720 -10.5720 -5.1671 -5.1671 -4.1401 -4.1401 -3.0632 -3.0632 2.2314 2.2314 4.1548 4.1548 14.1696 14.1696 15.4911 15.4911 19.9306 19.9306 k = 0.8533-0.1892 0.1568 ( 746 PWs) bands (ev): -24.4547 -24.4547 -10.6006 -10.6006 -5.1317 -5.1317 -4.1218 -4.1218 -3.0634 -3.0634 2.2838 2.2838 4.1674 4.1674 14.1267 14.1267 15.5105 15.5105 19.9060 19.9060 k = 0.8467-0.1810 0.1501 ( 746 PWs) bands (ev): -24.4671 -24.4671 -10.6299 -10.6299 -5.0951 -5.0951 -4.1029 -4.1029 -3.0636 -3.0636 2.3378 2.3378 4.1805 4.1805 14.0828 14.0828 15.5273 15.5273 19.8807 19.8807 k = 0.8400-0.1729 0.1433 ( 746 PWs) bands (ev): -24.4798 -24.4798 -10.6599 -10.6599 -5.0573 -5.0573 -4.0834 -4.0834 -3.0637 -3.0637 2.3933 2.3933 4.1938 4.1938 14.0380 14.0380 15.5410 15.5410 19.8549 19.8549 k = 0.8333-0.1647 0.1366 ( 748 PWs) bands (ev): -24.4929 -24.4929 -10.6905 -10.6905 -5.0184 -5.0184 -4.0633 -4.0633 -3.0637 -3.0637 2.4503 2.4503 4.2076 4.2076 13.9923 13.9923 15.5512 15.5512 19.8286 19.8286 k = 0.8267-0.1566 0.1298 ( 748 PWs) bands (ev): -24.5062 -24.5062 -10.7216 -10.7216 -4.9786 -4.9786 -4.0426 -4.0426 -3.0636 -3.0636 2.5087 2.5087 4.2217 4.2217 13.9459 13.9459 15.5573 15.5573 19.8017 19.8017 k = 0.8200-0.1484 0.1231 ( 752 PWs) bands (ev): -24.5198 -24.5198 -10.7531 -10.7531 -4.9377 -4.9377 -4.0214 -4.0214 -3.0634 -3.0634 2.5683 2.5683 4.2361 4.2361 13.8989 13.8989 15.5590 15.5590 19.7743 19.7743 k = 0.8133-0.1403 0.1163 ( 752 PWs) bands (ev): -24.5336 -24.5336 -10.7851 -10.7851 -4.8959 -4.8959 -3.9997 -3.9997 -3.0631 -3.0631 2.6291 2.6291 4.2508 4.2508 13.8513 13.8513 15.5559 15.5559 19.7465 19.7465 k = 0.8067-0.1321 0.1096 ( 752 PWs) bands (ev): -24.5476 -24.5476 -10.8173 -10.8173 -4.8534 -4.8534 -3.9776 -3.9776 -3.0625 -3.0625 2.6909 2.6909 4.2659 4.2659 13.8032 13.8032 15.5475 15.5475 19.7183 19.7183 k = 0.8000-0.1240 0.1028 ( 752 PWs) bands (ev): -24.5618 -24.5618 -10.8499 -10.8499 -4.8101 -4.8101 -3.9550 -3.9550 -3.0618 -3.0618 2.7537 2.7537 4.2813 4.2813 13.7547 13.7547 15.5336 15.5336 19.6896 19.6896 k = 0.7933-0.1159 0.0961 ( 748 PWs) bands (ev): -24.5762 -24.5762 -10.8826 -10.8826 -4.7661 -4.7661 -3.9319 -3.9319 -3.0609 -3.0609 2.8174 2.8174 4.2969 4.2969 13.7059 13.7059 15.5141 15.5141 19.6605 19.6605 k = 0.7867-0.1077 0.0893 ( 750 PWs) bands (ev): -24.5907 -24.5907 -10.9155 -10.9155 -4.7216 -4.7216 -3.9085 -3.9085 -3.0597 -3.0597 2.8818 2.8818 4.3127 4.3127 13.6568 13.6568 15.4886 15.4886 19.6311 19.6311 k = 0.7800-0.0996 0.0826 ( 752 PWs) bands (ev): -24.6053 -24.6053 -10.9484 -10.9484 -4.6766 -4.6766 -3.8849 -3.8849 -3.0584 -3.0584 2.9470 2.9470 4.3287 4.3287 13.6076 13.6076 15.4572 15.4572 19.6013 19.6013 k = 0.7733-0.0914 0.0758 ( 756 PWs) bands (ev): -24.6201 -24.6201 -10.9814 -10.9814 -4.6312 -4.6312 -3.8609 -3.8609 -3.0567 -3.0567 3.0126 3.0126 4.3449 4.3449 13.5582 13.5582 15.4198 15.4198 19.5711 19.5711 k = 0.7667-0.0833 0.0690 ( 756 PWs) bands (ev): -24.6348 -24.6348 -11.0143 -11.0143 -4.5855 -4.5855 -3.8367 -3.8367 -3.0546 -3.0546 3.0788 3.0788 4.3612 4.3612 13.5089 13.5089 15.3767 15.3767 19.5407 19.5407 k = 0.7600-0.0751 0.0623 ( 760 PWs) bands (ev): -24.6496 -24.6496 -11.0472 -11.0472 -4.5396 -4.5396 -3.8123 -3.8123 -3.0523 -3.0523 3.1453 3.1453 4.3776 4.3776 13.4596 13.4596 15.3278 15.3278 19.5100 19.5100 k = 0.7533-0.0670 0.0555 ( 754 PWs) bands (ev): -24.6643 -24.6643 -11.0799 -11.0799 -4.4937 -4.4937 -3.7877 -3.7877 -3.0496 -3.0496 3.2122 3.2122 4.3942 4.3942 13.4104 13.4104 15.2737 15.2737 19.4792 19.4792 k = 0.7467-0.0588 0.0488 ( 754 PWs) bands (ev): -24.6791 -24.6791 -11.1123 -11.1123 -4.4478 -4.4478 -3.7630 -3.7630 -3.0464 -3.0464 3.2791 3.2791 4.4108 4.4108 13.3614 13.3614 15.2144 15.2144 19.4481 19.4481 k = 0.7400-0.0507 0.0420 ( 756 PWs) bands (ev): -24.6938 -24.6938 -11.1446 -11.1446 -4.4021 -4.4021 -3.7382 -3.7382 -3.0428 -3.0428 3.3460 3.3460 4.4274 4.4274 13.3126 13.3126 15.1504 15.1504 19.4169 19.4169 k = 0.7333-0.0426 0.0353 ( 756 PWs) bands (ev): -24.7084 -24.7084 -11.1765 -11.1765 -4.3566 -4.3566 -3.7134 -3.7134 -3.0387 -3.0387 3.4129 3.4129 4.4440 4.4440 13.2641 13.2641 15.0821 15.0821 19.3856 19.3856 k = 0.7267-0.0344 0.0285 ( 760 PWs) bands (ev): -24.7229 -24.7229 -11.2080 -11.2080 -4.3116 -4.3116 -3.6886 -3.6886 -3.0340 -3.0340 3.4795 3.4795 4.4606 4.4606 13.2160 13.2160 15.0099 15.0099 19.3543 19.3543 k = 0.7200-0.0263 0.0218 ( 756 PWs) bands (ev): -24.7373 -24.7373 -11.2392 -11.2392 -4.2671 -4.2671 -3.6638 -3.6638 -3.0288 -3.0288 3.5460 3.5460 4.4771 4.4771 13.1683 13.1683 14.9343 14.9343 19.3230 19.3230 k = 0.7133-0.0181 0.0150 ( 756 PWs) bands (ev): -24.7515 -24.7515 -11.2698 -11.2698 -4.2232 -4.2232 -3.6391 -3.6391 -3.0229 -3.0229 3.6121 3.6121 4.4935 4.4935 13.1211 13.1211 14.8557 14.8557 19.2917 19.2917 k = 0.7067-0.0100 0.0083 ( 750 PWs) bands (ev): -24.7655 -24.7655 -11.3000 -11.3000 -4.1801 -4.1801 -3.6146 -3.6146 -3.0163 -3.0163 3.6777 3.6777 4.5099 4.5099 13.0744 13.0744 14.7747 14.7747 19.2606 19.2606 k = 0.7000-0.0018 0.0015 ( 754 PWs) bands (ev): -24.7794 -24.7794 -11.3297 -11.3297 -4.1380 -4.1380 -3.5902 -3.5902 -3.0089 -3.0089 3.7427 3.7427 4.5260 4.5260 13.0282 13.0282 14.6916 14.6916 19.2295 19.2295 k = 0.6933 0.0063-0.0052 ( 754 PWs) bands (ev): -24.7931 -24.7931 -11.3587 -11.3587 -4.0970 -4.0970 -3.5661 -3.5661 -3.0009 -3.0009 3.8071 3.8071 4.5420 4.5420 12.9828 12.9828 14.6069 14.6069 19.1987 19.1987 k = 0.6867 0.0145-0.0120 ( 754 PWs) bands (ev): -24.8065 -24.8065 -11.3872 -11.3872 -4.0572 -4.0572 -3.5422 -3.5422 -2.9919 -2.9919 3.8706 3.8706 4.5578 4.5578 12.9382 12.9382 14.5211 14.5211 19.1682 19.1682 k = 0.6800 0.0226-0.0187 ( 754 PWs) bands (ev): -24.8196 -24.8196 -11.4149 -11.4149 -4.0187 -4.0187 -3.5187 -3.5187 -2.9822 -2.9822 3.9332 3.9332 4.5734 4.5734 12.8943 12.8943 14.4346 14.4346 19.1381 19.1381 k = 0.6733 0.0308-0.0255 ( 754 PWs) bands (ev): -24.8324 -24.8324 -11.4420 -11.4420 -3.9817 -3.9817 -3.4956 -3.4956 -2.9715 -2.9715 3.9949 3.9949 4.5887 4.5887 12.8513 12.8513 14.3478 14.3478 19.1083 19.1083 k = 0.6667 0.0389-0.0323 ( 754 PWs) bands (ev): -24.8450 -24.8450 -11.4683 -11.4683 -3.9462 -3.9462 -3.4728 -3.4728 -2.9600 -2.9600 4.0554 4.0554 4.6037 4.6037 12.8092 12.8092 14.2611 14.2611 19.0790 19.0790 k = 0.6600 0.0470-0.0390 ( 754 PWs) bands (ev): -24.8572 -24.8572 -11.4939 -11.4939 -3.9124 -3.9124 -3.4506 -3.4506 -2.9476 -2.9476 4.1146 4.1146 4.6184 4.6184 12.7681 12.7681 14.1749 14.1749 19.0502 19.0502 k = 0.6533 0.0552-0.0458 ( 754 PWs) bands (ev): -24.8691 -24.8691 -11.5186 -11.5186 -3.8803 -3.8803 -3.4288 -3.4288 -2.9343 -2.9343 4.1725 4.1725 4.6328 4.6328 12.7280 12.7280 14.0896 14.0896 19.0220 19.0220 k = 0.6467 0.0633-0.0525 ( 754 PWs) bands (ev): -24.8806 -24.8806 -11.5426 -11.5426 -3.8500 -3.8500 -3.4075 -3.4075 -2.9202 -2.9202 4.2290 4.2290 4.6468 4.6468 12.6890 12.6890 14.0054 14.0054 18.9944 18.9944 k = 0.6400 0.0715-0.0593 ( 758 PWs) bands (ev): -24.8917 -24.8917 -11.5656 -11.5656 -3.8216 -3.8216 -3.3869 -3.3869 -2.9052 -2.9052 4.2838 4.2838 4.6603 4.6603 12.6512 12.6512 13.9228 13.9228 18.9675 18.9675 k = 0.6333 0.0796-0.0660 ( 758 PWs) bands (ev): -24.9024 -24.9024 -11.5878 -11.5878 -3.7951 -3.7951 -3.3669 -3.3669 -2.8896 -2.8896 4.3371 4.3371 4.6735 4.6735 12.6146 12.6146 13.8420 13.8420 18.9413 18.9413 k = 0.6267 0.0878-0.0728 ( 758 PWs) bands (ev): -24.9127 -24.9127 -11.6091 -11.6091 -3.7705 -3.7705 -3.3476 -3.3476 -2.8734 -2.8734 4.3885 4.3885 4.6862 4.6862 12.5792 12.5792 13.7634 13.7634 18.9160 18.9160 k = 0.6200 0.0959-0.0795 ( 754 PWs) bands (ev): -24.9226 -24.9226 -11.6294 -11.6294 -3.7477 -3.7477 -3.3289 -3.3289 -2.8566 -2.8566 4.4380 4.4380 4.6985 4.6985 12.5452 12.5452 13.6871 13.6871 18.8917 18.8917 k = 0.6133 0.1041-0.0863 ( 758 PWs) bands (ev): -24.9320 -24.9320 -11.6487 -11.6487 -3.7268 -3.7268 -3.3111 -3.3111 -2.8395 -2.8395 4.4856 4.4856 4.7103 4.7103 12.5126 12.5126 13.6135 13.6135 18.8681 18.8681 k = 0.6067 0.1122-0.0930 ( 758 PWs) bands (ev): -24.9410 -24.9410 -11.6671 -11.6671 -3.7077 -3.7077 -3.2940 -3.2940 -2.8222 -2.8222 4.5310 4.5310 4.7216 4.7216 12.4815 12.4815 13.5428 13.5428 18.8457 18.8457 k = 0.6000 0.1204-0.0998 ( 758 PWs) bands (ev): -24.9495 -24.9495 -11.6844 -11.6844 -3.6902 -3.6902 -3.2778 -3.2778 -2.8048 -2.8048 4.5741 4.5741 4.7325 4.7325 12.4519 12.4519 13.4752 13.4752 18.8242 18.8242 k = 0.5933 0.1285-0.1065 ( 754 PWs) bands (ev): -24.9575 -24.9575 -11.7007 -11.7007 -3.6744 -3.6744 -3.2624 -3.2624 -2.7875 -2.7875 4.6149 4.6149 4.7430 4.7430 12.4239 12.4239 13.4110 13.4110 18.8039 18.8039 k = 0.5867 0.1366-0.1133 ( 758 PWs) bands (ev): -24.9650 -24.9650 -11.7160 -11.7160 -3.6602 -3.6602 -3.2480 -3.2480 -2.7706 -2.7706 4.6530 4.6530 4.7530 4.7530 12.3975 12.3975 13.3503 13.3503 18.7847 18.7847 k = 0.5800 0.1448-0.1200 ( 758 PWs) bands (ev): -24.9720 -24.9720 -11.7302 -11.7302 -3.6474 -3.6474 -3.2344 -3.2344 -2.7541 -2.7541 4.6883 4.6883 4.7628 4.7628 12.3728 12.3728 13.2934 13.2934 18.7668 18.7668 k = 0.5733 0.1529-0.1268 ( 758 PWs) bands (ev): -24.9785 -24.9785 -11.7433 -11.7433 -3.6361 -3.6361 -3.2219 -3.2219 -2.7382 -2.7382 4.7201 4.7201 4.7729 4.7729 12.3498 12.3498 13.2404 13.2404 18.7501 18.7501 k = 0.5667 0.1611-0.1335 ( 762 PWs) bands (ev): -24.9844 -24.9844 -11.7554 -11.7554 -3.6260 -3.6260 -3.2103 -3.2103 -2.7231 -2.7231 4.7470 4.7470 4.7845 4.7845 12.3287 12.3287 13.1914 13.1914 18.7347 18.7347 k = 0.5600 0.1692-0.1403 ( 762 PWs) bands (ev): -24.9898 -24.9898 -11.7663 -11.7663 -3.6171 -3.6171 -3.1997 -3.1997 -2.7090 -2.7090 4.7667 4.7667 4.8001 4.8001 12.3094 12.3094 13.1467 13.1467 18.7206 18.7206 k = 0.5533 0.1774-0.1471 ( 762 PWs) bands (ev): -24.9947 -24.9947 -11.7761 -11.7761 -3.6094 -3.6094 -3.1902 -3.1902 -2.6959 -2.6959 4.7789 4.7789 4.8196 4.8196 12.2920 12.2920 13.1063 13.1063 18.7080 18.7080 k = 0.5467 0.1855-0.1538 ( 764 PWs) bands (ev): -24.9990 -24.9990 -11.7848 -11.7848 -3.6028 -3.6028 -3.1818 -3.1818 -2.6840 -2.6840 4.7871 4.7871 4.8397 4.8397 12.2765 12.2765 13.0704 13.0704 18.6967 18.6967 k = 0.5400 0.1937-0.1606 ( 764 PWs) bands (ev): -25.0027 -25.0027 -11.7923 -11.7923 -3.5971 -3.5971 -3.1744 -3.1744 -2.6735 -2.6735 4.7931 4.7931 4.8583 4.8583 12.2631 12.2631 13.0390 13.0390 18.6869 18.6869 k = 0.5333 0.2018-0.1673 ( 764 PWs) bands (ev): -25.0059 -25.0059 -11.7987 -11.7987 -3.5925 -3.5925 -3.1681 -3.1681 -2.6645 -2.6645 4.7979 4.7979 4.8745 4.8745 12.2516 12.2516 13.0124 13.0124 18.6785 18.6785 k = 0.5267 0.2099-0.1741 ( 756 PWs) bands (ev): -25.0085 -25.0085 -11.8039 -11.8039 -3.5886 -3.5886 -3.1630 -3.1630 -2.6569 -2.6569 4.8017 4.8017 4.8882 4.8882 12.2422 12.2422 12.9904 12.9904 18.6716 18.6716 k = 0.5200 0.2181-0.1808 ( 756 PWs) bands (ev): -25.0105 -25.0105 -11.8080 -11.8080 -3.5857 -3.5857 -3.1590 -3.1590 -2.6509 -2.6509 4.8046 4.8046 4.8987 4.8987 12.2348 12.2348 12.9733 12.9733 18.6663 18.6663 k = 0.5133 0.2262-0.1876 ( 754 PWs) bands (ev): -25.0120 -25.0120 -11.8109 -11.8109 -3.5836 -3.5836 -3.1561 -3.1561 -2.6466 -2.6466 4.8066 4.8066 4.9063 4.9063 12.2296 12.2296 12.9611 12.9611 18.6624 18.6624 k = 0.5067 0.2344-0.1943 ( 754 PWs) bands (ev): -25.0128 -25.0128 -11.8127 -11.8127 -3.5824 -3.5824 -3.1543 -3.1543 -2.6440 -2.6440 4.8078 4.8078 4.9109 4.9109 12.2264 12.2264 12.9537 12.9537 18.6601 18.6601 k = 0.5000 0.2425-0.2011 ( 750 PWs) bands (ev): -25.0131 -25.0131 -11.8133 -11.8133 -3.5820 -3.5820 -3.1538 -3.1538 -2.6431 -2.6431 4.8083 4.8083 4.9126 4.9126 12.2254 12.2254 12.9512 12.9512 18.6593 18.6593 k = 0.5000 0.2425-0.2011 ( 750 PWs) bands (ev): -25.0131 -25.0131 -11.8133 -11.8133 -3.5820 -3.5820 -3.1538 -3.1538 -2.6431 -2.6431 4.8083 4.8083 4.9126 4.9126 12.2254 12.2254 12.9512 12.9512 18.6593 18.6593 k = 0.4894 0.2374-0.1968 ( 750 PWs) bands (ev): -25.0132 -25.0132 -11.8120 -11.8120 -3.5845 -3.5845 -3.1535 -3.1535 -2.6431 -2.6431 4.8077 4.8077 4.9125 4.9125 12.2256 12.2256 12.9556 12.9556 18.6579 18.6579 k = 0.4787 0.2322-0.1925 ( 748 PWs) bands (ev): -25.0135 -25.0135 -11.8083 -11.8083 -3.5918 -3.5918 -3.1528 -3.1528 -2.6430 -2.6430 4.8059 4.8059 4.9122 4.9122 12.2263 12.2263 12.9687 12.9687 18.6535 18.6535 k = 0.4681 0.2270-0.1882 ( 748 PWs) bands (ev): -25.0141 -25.0141 -11.8021 -11.8021 -3.6040 -3.6040 -3.1517 -3.1517 -2.6429 -2.6429 4.8030 4.8030 4.9118 4.9118 12.2275 12.2275 12.9903 12.9903 18.6463 18.6463 k = 0.4574 0.2219-0.1840 ( 752 PWs) bands (ev): -25.0149 -25.0149 -11.7935 -11.7935 -3.6211 -3.6211 -3.1501 -3.1501 -2.6427 -2.6427 4.7988 4.7988 4.9109 4.9109 12.2295 12.2295 13.0202 13.0202 18.6361 18.6361 k = 0.4468 0.2167-0.1797 ( 760 PWs) bands (ev): -25.0160 -25.0160 -11.7824 -11.7824 -3.6429 -3.6429 -3.1481 -3.1481 -2.6424 -2.6424 4.7936 4.7936 4.9100 4.9100 12.2323 12.2323 13.0582 13.0582 18.6230 18.6230 k = 0.4362 0.2116-0.1754 ( 760 PWs) bands (ev): -25.0172 -25.0172 -11.7689 -11.7689 -3.6694 -3.6694 -3.1456 -3.1456 -2.6421 -2.6421 4.7872 4.7872 4.9090 4.9090 12.2363 12.2363 13.1039 13.1039 18.6074 18.6074 k = 0.4255 0.2064-0.1711 ( 764 PWs) bands (ev): -25.0186 -25.0186 -11.7530 -11.7530 -3.7004 -3.7004 -3.1427 -3.1427 -2.6417 -2.6417 4.7797 4.7797 4.9077 4.9077 12.2415 12.2415 13.1570 13.1570 18.5891 18.5891 k = 0.4149 0.2012-0.1669 ( 764 PWs) bands (ev): -25.0202 -25.0202 -11.7347 -11.7347 -3.7358 -3.7358 -3.1393 -3.1393 -2.6413 -2.6413 4.7711 4.7711 4.9063 4.9063 12.2481 12.2481 13.2173 13.2173 18.5684 18.5684 k = 0.4043 0.1961-0.1626 ( 764 PWs) bands (ev): -25.0221 -25.0221 -11.7141 -11.7141 -3.7754 -3.7754 -3.1356 -3.1356 -2.6408 -2.6408 4.7615 4.7615 4.9049 4.9049 12.2562 12.2562 13.2842 13.2842 18.5454 18.5454 k = 0.3936 0.1909-0.1583 ( 764 PWs) bands (ev): -25.0241 -25.0241 -11.6913 -11.6913 -3.8192 -3.8192 -3.1315 -3.1315 -2.6402 -2.6402 4.7509 4.7509 4.9033 4.9033 12.2660 12.2660 13.3577 13.3577 18.5201 18.5201 k = 0.3830 0.1858-0.1540 ( 764 PWs) bands (ev): -25.0263 -25.0263 -11.6662 -11.6662 -3.8669 -3.8669 -3.1269 -3.1269 -2.6396 -2.6396 4.7394 4.7394 4.9015 4.9015 12.2773 12.2773 13.4372 13.4372 18.4929 18.4929 k = 0.3723 0.1806-0.1497 ( 764 PWs) bands (ev): -25.0286 -25.0286 -11.6389 -11.6389 -3.9183 -3.9183 -3.1221 -3.1221 -2.6390 -2.6390 4.7269 4.7269 4.8997 4.8997 12.2904 12.2904 13.5226 13.5226 18.4639 18.4639 k = 0.3617 0.1754-0.1455 ( 768 PWs) bands (ev): -25.0311 -25.0311 -11.6095 -11.6095 -3.9734 -3.9734 -3.1169 -3.1169 -2.6383 -2.6383 4.7135 4.7135 4.8978 4.8978 12.3051 12.3051 13.6134 13.6134 18.4332 18.4332 k = 0.3511 0.1703-0.1412 ( 764 PWs) bands (ev): -25.0338 -25.0338 -11.5780 -11.5780 -4.0317 -4.0317 -3.1114 -3.1114 -2.6375 -2.6375 4.6994 4.6994 4.8957 4.8957 12.3214 12.3214 13.7094 13.7094 18.4013 18.4013 k = 0.3404 0.1651-0.1369 ( 764 PWs) bands (ev): -25.0365 -25.0365 -11.5446 -11.5446 -4.0931 -4.0931 -3.1056 -3.1056 -2.6368 -2.6368 4.6846 4.6846 4.8936 4.8936 12.3394 12.3394 13.8101 13.8101 18.3683 18.3683 k = 0.3298 0.1600-0.1326 ( 764 PWs) bands (ev): -25.0394 -25.0394 -11.5092 -11.5092 -4.1574 -4.1574 -3.0995 -3.0995 -2.6360 -2.6360 4.6691 4.6691 4.8914 4.8914 12.3590 12.3590 13.9152 13.9152 18.3346 18.3346 k = 0.3191 0.1548-0.1283 ( 764 PWs) bands (ev): -25.0424 -25.0424 -11.4720 -11.4720 -4.2244 -4.2244 -3.0932 -3.0932 -2.6351 -2.6351 4.6530 4.6530 4.8891 4.8891 12.3801 12.3801 14.0243 14.0243 18.3004 18.3004 k = 0.3085 0.1496-0.1241 ( 764 PWs) bands (ev): -25.0455 -25.0455 -11.4331 -11.4331 -4.2937 -4.2937 -3.0866 -3.0866 -2.6343 -2.6343 4.6364 4.6364 4.8867 4.8867 12.4026 12.4026 14.1370 14.1370 18.2664 18.2664 k = 0.2979 0.1445-0.1198 ( 762 PWs) bands (ev): -25.0487 -25.0487 -11.3926 -11.3926 -4.3652 -4.3652 -3.0799 -3.0799 -2.6334 -2.6334 4.6194 4.6194 4.8843 4.8843 12.4265 12.4265 14.2527 14.2527 18.2326 18.2326 k = 0.2872 0.1393-0.1155 ( 760 PWs) bands (ev): -25.0519 -25.0519 -11.3505 -11.3505 -4.4386 -4.4386 -3.0730 -3.0730 -2.6325 -2.6325 4.6021 4.6021 4.8819 4.8819 12.4517 12.4517 14.3708 14.3708 18.1997 18.1997 k = 0.2766 0.1342-0.1112 ( 760 PWs) bands (ev): -25.0552 -25.0552 -11.3070 -11.3070 -4.5135 -4.5135 -3.0660 -3.0660 -2.6316 -2.6316 4.5844 4.5844 4.8794 4.8794 12.4781 12.4781 14.4908 14.4908 18.1683 18.1683 k = 0.2660 0.1290-0.1070 ( 760 PWs) bands (ev): -25.0585 -25.0585 -11.2623 -11.2623 -4.5899 -4.5899 -3.0588 -3.0588 -2.6307 -2.6307 4.5665 4.5665 4.8769 4.8769 12.5055 12.5055 14.6120 14.6120 18.1389 18.1389 k = 0.2553 0.1238-0.1027 ( 764 PWs) bands (ev): -25.0619 -25.0619 -11.2164 -11.2164 -4.6673 -4.6673 -3.0516 -3.0516 -2.6297 -2.6297 4.5485 4.5485 4.8744 4.8744 12.5340 12.5340 14.7336 14.7336 18.1122 18.1122 k = 0.2447 0.1187-0.0984 ( 764 PWs) bands (ev): -25.0652 -25.0652 -11.1695 -11.1695 -4.7454 -4.7454 -3.0444 -3.0444 -2.6288 -2.6288 4.5305 4.5305 4.8719 4.8719 12.5633 12.5633 14.8549 14.8549 18.0891 18.0891 k = 0.2340 0.1135-0.0941 ( 764 PWs) bands (ev): -25.0685 -25.0685 -11.1218 -11.1218 -4.8241 -4.8241 -3.0371 -3.0371 -2.6279 -2.6279 4.5124 4.5124 4.8694 4.8694 12.5934 12.5934 14.9748 14.9748 18.0702 18.0702 k = 0.2234 0.1084-0.0898 ( 764 PWs) bands (ev): -25.0718 -25.0718 -11.0735 -11.0735 -4.9029 -4.9029 -3.0299 -3.0299 -2.6269 -2.6269 4.4945 4.4945 4.8669 4.8669 12.6241 12.6241 15.0922 15.0922 18.0567 18.0567 k = 0.2128 0.1032-0.0856 ( 762 PWs) bands (ev): -25.0750 -25.0750 -11.0246 -11.0246 -4.9815 -4.9815 -3.0227 -3.0227 -2.6260 -2.6260 4.4768 4.4768 4.8645 4.8645 12.6552 12.6552 15.2061 15.2061 18.0494 18.0494 k = 0.2021 0.0980-0.0813 ( 764 PWs) bands (ev): -25.0782 -25.0782 -10.9755 -10.9755 -5.0598 -5.0598 -3.0156 -3.0156 -2.6251 -2.6251 4.4593 4.4593 4.8621 4.8621 12.6867 12.6867 15.3152 15.3152 18.0495 18.0495 k = 0.1915 0.0929-0.0770 ( 764 PWs) bands (ev): -25.0813 -25.0813 -10.9263 -10.9263 -5.1372 -5.1372 -3.0087 -3.0087 -2.6242 -2.6242 4.4422 4.4422 4.8598 4.8598 12.7184 12.7184 15.4184 15.4184 18.0580 18.0580 k = 0.1809 0.0877-0.0727 ( 764 PWs) bands (ev): -25.0844 -25.0844 -10.8773 -10.8773 -5.2136 -5.2136 -3.0018 -3.0018 -2.6233 -2.6233 4.4256 4.4256 4.8575 4.8575 12.7500 12.7500 15.5142 15.5142 18.0761 18.0761 k = 0.1702 0.0826-0.0685 ( 764 PWs) bands (ev): -25.0873 -25.0873 -10.8287 -10.8287 -5.2885 -5.2885 -2.9952 -2.9952 -2.6225 -2.6225 4.4094 4.4094 4.8553 4.8553 12.7815 12.7815 15.6017 15.6017 18.1044 18.1044 k = 0.1596 0.0774-0.0642 ( 764 PWs) bands (ev): -25.0901 -25.0901 -10.7808 -10.7808 -5.3616 -5.3616 -2.9888 -2.9888 -2.6217 -2.6217 4.3939 4.3939 4.8531 4.8531 12.8127 12.8127 15.6799 15.6799 18.1437 18.1437 k = 0.1489 0.0722-0.0599 ( 764 PWs) bands (ev): -25.0929 -25.0929 -10.7338 -10.7338 -5.4326 -5.4326 -2.9826 -2.9826 -2.6209 -2.6209 4.3790 4.3790 4.8511 4.8511 12.8432 12.8432 15.7483 15.7483 18.1940 18.1940 k = 0.1383 0.0671-0.0556 ( 764 PWs) bands (ev): -25.0954 -25.0954 -10.6880 -10.6880 -5.5010 -5.5010 -2.9767 -2.9767 -2.6202 -2.6202 4.3647 4.3647 4.8491 4.8491 12.8730 12.8730 15.8067 15.8067 18.2551 18.2551 k = 0.1277 0.0619-0.0513 ( 764 PWs) bands (ev): -25.0979 -25.0979 -10.6438 -10.6438 -5.5665 -5.5665 -2.9712 -2.9712 -2.6195 -2.6195 4.3513 4.3513 4.8473 4.8473 12.9019 12.9019 15.8552 15.8552 18.3263 18.3263 k = 0.1170 0.0568-0.0471 ( 766 PWs) bands (ev): -25.1001 -25.1001 -10.6014 -10.6014 -5.6287 -5.6287 -2.9659 -2.9659 -2.6188 -2.6188 4.3386 4.3386 4.8456 4.8456 12.9295 12.9295 15.8944 15.8944 18.4061 18.4061 k = 0.1064 0.0516-0.0428 ( 766 PWs) bands (ev): -25.1022 -25.1022 -10.5612 -10.5612 -5.6872 -5.6872 -2.9611 -2.9611 -2.6182 -2.6182 4.3269 4.3269 4.8440 4.8440 12.9558 12.9558 15.9252 15.9252 18.4930 18.4930 k = 0.0957 0.0464-0.0385 ( 769 PWs) bands (ev): -25.1041 -25.1041 -10.5235 -10.5235 -5.7416 -5.7416 -2.9566 -2.9566 -2.6177 -2.6177 4.3161 4.3161 4.8425 4.8425 12.9804 12.9804 15.9486 15.9486 18.5846 18.5846 k = 0.0851 0.0413-0.0342 ( 769 PWs) bands (ev): -25.1059 -25.1059 -10.4886 -10.4886 -5.7916 -5.7916 -2.9525 -2.9525 -2.6172 -2.6172 4.3064 4.3064 4.8411 4.8411 13.0032 13.0032 15.9659 15.9659 18.6786 18.6786 k = 0.0745 0.0361-0.0299 ( 769 PWs) bands (ev): -25.1075 -25.1075 -10.4569 -10.4569 -5.8368 -5.8368 -2.9488 -2.9488 -2.6167 -2.6167 4.2976 4.2976 4.8399 4.8399 13.0239 13.0239 15.9781 15.9781 18.7722 18.7722 k = 0.0638 0.0310-0.0257 ( 769 PWs) bands (ev): -25.1088 -25.1088 -10.4286 -10.4286 -5.8767 -5.8767 -2.9456 -2.9456 -2.6163 -2.6163 4.2900 4.2900 4.8389 4.8389 13.0423 13.0423 15.9863 15.9863 18.8625 18.8625 k = 0.0532 0.0258-0.0214 ( 769 PWs) bands (ev): -25.1100 -25.1100 -10.4042 -10.4042 -5.9112 -5.9112 -2.9429 -2.9429 -2.6160 -2.6160 4.2835 4.2835 4.8380 4.8380 13.0583 13.0583 15.9916 15.9916 18.9464 18.9464 k = 0.0426 0.0206-0.0171 ( 765 PWs) bands (ev): -25.1110 -25.1110 -10.3837 -10.3837 -5.9398 -5.9398 -2.9406 -2.9406 -2.6157 -2.6157 4.2782 4.2782 4.8373 4.8373 13.0716 13.0716 15.9949 15.9949 19.0208 19.0208 k = 0.0319 0.0155-0.0128 ( 765 PWs) bands (ev): -25.1117 -25.1117 -10.3676 -10.3676 -5.9624 -5.9624 -2.9388 -2.9388 -2.6155 -2.6155 4.2740 4.2740 4.8367 4.8367 13.0822 13.0822 15.9967 15.9967 19.0826 19.0826 k = 0.0213 0.0103-0.0086 ( 769 PWs) bands (ev): -25.1123 -25.1123 -10.3559 -10.3559 -5.9787 -5.9787 -2.9376 -2.9376 -2.6153 -2.6153 4.2709 4.2709 4.8363 4.8363 13.0898 13.0898 15.9973 15.9973 19.1290 19.1290 k = 0.0106 0.0052-0.0043 ( 773 PWs) bands (ev): -25.1126 -25.1126 -10.3488 -10.3488 -5.9885 -5.9885 -2.9368 -2.9368 -2.6152 -2.6152 4.2691 4.2691 4.8361 4.8361 13.0944 13.0944 15.9974 15.9974 19.1579 19.1579 k = 0.0000 0.0000 0.0000 ( 775 PWs) bands (ev): -25.1128 -25.1128 -10.3465 -10.3465 -5.9918 -5.9918 -2.9365 -2.9365 -2.6152 -2.6152 4.2685 4.2685 4.8360 4.8360 13.0959 13.0959 15.9975 15.9975 19.1676 19.1676 k = 0.0000 0.0000 0.0000 ( 775 PWs) bands (ev): -25.1128 -25.1128 -10.3465 -10.3465 -5.9918 -5.9918 -2.9365 -2.9365 -2.6152 -2.6152 4.2685 4.2685 4.8360 4.8360 13.0959 13.0959 15.9975 15.9975 19.1676 19.1676 k = 0.0000 0.0080 0.0096 ( 771 PWs) bands (ev): -25.1125 -25.1125 -10.3463 -10.3463 -5.9915 -5.9915 -2.9374 -2.9374 -2.6158 -2.6158 4.2675 4.2675 4.8354 4.8354 13.0982 13.0982 15.9976 15.9976 19.1683 19.1683 k = 0.0000 0.0160 0.0193 ( 767 PWs) bands (ev): -25.1117 -25.1117 -10.3457 -10.3457 -5.9909 -5.9909 -2.9399 -2.9399 -2.6177 -2.6177 4.2646 4.2646 4.8334 4.8334 13.1051 13.1051 15.9981 15.9981 19.1702 19.1702 k = 0.0000 0.0240 0.0289 ( 767 PWs) bands (ev): -25.1104 -25.1104 -10.3447 -10.3447 -5.9898 -5.9898 -2.9440 -2.9440 -2.6208 -2.6208 4.2597 4.2597 4.8300 4.8300 13.1165 13.1165 15.9984 15.9984 19.1733 19.1733 k = 0.0000 0.0320 0.0386 ( 769 PWs) bands (ev): -25.1086 -25.1086 -10.3433 -10.3433 -5.9882 -5.9882 -2.9499 -2.9499 -2.6252 -2.6252 4.2529 4.2529 4.8254 4.8254 13.1324 13.1324 15.9988 15.9988 19.1777 19.1777 k = 0.0000 0.0400 0.0482 ( 769 PWs) bands (ev): -25.1063 -25.1063 -10.3415 -10.3415 -5.9863 -5.9863 -2.9573 -2.9573 -2.6308 -2.6308 4.2441 4.2441 4.8194 4.8194 13.1528 13.1528 15.9991 15.9991 19.1832 19.1832 k = 0.0000 0.0480 0.0579 ( 769 PWs) bands (ev): -25.1035 -25.1035 -10.3393 -10.3393 -5.9839 -5.9839 -2.9662 -2.9662 -2.6377 -2.6377 4.2335 4.2335 4.8121 4.8121 13.1776 13.1776 15.9997 15.9997 19.1901 19.1901 k = 0.0000 0.0560 0.0675 ( 769 PWs) bands (ev): -25.1002 -25.1002 -10.3367 -10.3367 -5.9811 -5.9811 -2.9767 -2.9767 -2.6458 -2.6458 4.2211 4.2211 4.8035 4.8035 13.2067 13.2067 16.0003 16.0003 19.1983 19.1983 k = 0.0000 0.0640 0.0772 ( 771 PWs) bands (ev): -25.0964 -25.0964 -10.3338 -10.3338 -5.9779 -5.9779 -2.9887 -2.9887 -2.6551 -2.6551 4.2068 4.2068 4.7935 4.7935 13.2401 13.2401 16.0010 16.0010 19.2078 19.2078 k = 0.0000 0.0720 0.0868 ( 771 PWs) bands (ev): -25.0921 -25.0921 -10.3305 -10.3305 -5.9742 -5.9742 -3.0020 -3.0020 -2.6656 -2.6656 4.1909 4.1909 4.7823 4.7823 13.2776 13.2776 16.0017 16.0017 19.2187 19.2187 k = 0.0000 0.0800 0.0965 ( 771 PWs) bands (ev): -25.0873 -25.0873 -10.3268 -10.3268 -5.9702 -5.9702 -3.0166 -3.0166 -2.6774 -2.6774 4.1733 4.1733 4.7697 4.7697 13.3192 13.3192 16.0024 16.0024 19.2310 19.2310 k = 0.0000 0.0880 0.1061 ( 766 PWs) bands (ev): -25.0820 -25.0820 -10.3228 -10.3228 -5.9659 -5.9659 -3.0324 -3.0324 -2.6903 -2.6903 4.1541 4.1541 4.7559 4.7559 13.3648 13.3648 16.0030 16.0030 19.2448 19.2448 k = 0.0000 0.0960 0.1158 ( 762 PWs) bands (ev): -25.0763 -25.0763 -10.3185 -10.3185 -5.9611 -5.9611 -3.0494 -3.0494 -2.7045 -2.7045 4.1334 4.1334 4.7408 4.7408 13.4141 13.4141 16.0038 16.0038 19.2600 19.2600 k = 0.0000 0.1040 0.1254 ( 762 PWs) bands (ev): -25.0701 -25.0701 -10.3138 -10.3138 -5.9561 -5.9561 -3.0674 -3.0674 -2.7198 -2.7198 4.1113 4.1113 4.7244 4.7244 13.4671 13.4671 16.0043 16.0043 19.2767 19.2767 k = 0.0000 0.1120 0.1351 ( 762 PWs) bands (ev): -25.0635 -25.0635 -10.3089 -10.3089 -5.9507 -5.9507 -3.0863 -3.0863 -2.7364 -2.7364 4.0877 4.0877 4.7067 4.7067 13.5236 13.5236 16.0045 16.0045 19.2949 19.2949 k = 0.0000 0.1200 0.1447 ( 766 PWs) bands (ev): -25.0564 -25.0564 -10.3036 -10.3036 -5.9450 -5.9450 -3.1062 -3.1062 -2.7541 -2.7541 4.0628 4.0628 4.6878 4.6878 13.5835 13.5835 16.0046 16.0046 19.3146 19.3146 k = 0.0000 0.1280 0.1544 ( 770 PWs) bands (ev): -25.0489 -25.0489 -10.2981 -10.2981 -5.9391 -5.9391 -3.1267 -3.1267 -2.7729 -2.7729 4.0368 4.0368 4.6676 4.6676 13.6466 13.6466 16.0045 16.0045 19.3361 19.3361 k = 0.0000 0.1360 0.1640 ( 770 PWs) bands (ev): -25.0410 -25.0410 -10.2923 -10.2923 -5.9328 -5.9328 -3.1479 -3.1479 -2.7929 -2.7929 4.0098 4.0098 4.6462 4.6462 13.7127 13.7127 16.0042 16.0042 19.3592 19.3592 k = 0.0000 0.1440 0.1737 ( 772 PWs) bands (ev): -25.0326 -25.0326 -10.2862 -10.2862 -5.9264 -5.9264 -3.1696 -3.1696 -2.8140 -2.8140 3.9817 3.9817 4.6236 4.6236 13.7817 13.7817 16.0035 16.0035 19.3841 19.3841 k = 0.0000 0.1520 0.1833 ( 772 PWs) bands (ev): -25.0239 -25.0239 -10.2800 -10.2800 -5.9197 -5.9197 -3.1917 -3.1917 -2.8362 -2.8362 3.9527 3.9527 4.5998 4.5998 13.8533 13.8533 16.0026 16.0026 19.4107 19.4107 k = 0.0000 0.1600 0.1930 ( 776 PWs) bands (ev): -25.0148 -25.0148 -10.2735 -10.2735 -5.9128 -5.9128 -3.2141 -3.2141 -2.8596 -2.8596 3.9230 3.9230 4.5748 4.5748 13.9274 13.9274 16.0012 16.0012 19.4392 19.4392 k = 0.0000 0.1680 0.2026 ( 780 PWs) bands (ev): -25.0053 -25.0053 -10.2668 -10.2668 -5.9058 -5.9058 -3.2366 -3.2366 -2.8839 -2.8839 3.8925 3.8925 4.5486 4.5486 14.0038 14.0038 15.9995 15.9995 19.4697 19.4697 k = 0.0000 0.1760 0.2123 ( 774 PWs) bands (ev): -24.9955 -24.9955 -10.2599 -10.2599 -5.8986 -5.8986 -3.2591 -3.2591 -2.9094 -2.9094 3.8616 3.8616 4.5213 4.5213 14.0822 14.0822 15.9975 15.9975 19.5022 19.5022 k = 0.0000 0.1840 0.2219 ( 770 PWs) bands (ev): -24.9854 -24.9854 -10.2529 -10.2529 -5.8912 -5.8912 -3.2817 -3.2817 -2.9358 -2.9358 3.8302 3.8302 4.4930 4.4930 14.1626 14.1626 15.9950 15.9950 19.5367 19.5367 k = 0.0000 0.1920 0.2316 ( 770 PWs) bands (ev): -24.9749 -24.9749 -10.2458 -10.2458 -5.8837 -5.8837 -3.3040 -3.3040 -2.9633 -2.9633 3.7984 3.7984 4.4635 4.4635 14.2446 14.2446 15.9919 15.9919 19.5733 19.5733 k = 0.0000 0.2000 0.2412 ( 770 PWs) bands (ev): -24.9641 -24.9641 -10.2385 -10.2385 -5.8762 -5.8762 -3.3261 -3.3261 -2.9918 -2.9918 3.7663 3.7663 4.4329 4.4329 14.3281 14.3281 15.9884 15.9884 19.6121 19.6121 k = 0.0000 0.2080 0.2509 ( 770 PWs) bands (ev): -24.9530 -24.9530 -10.2312 -10.2312 -5.8685 -5.8685 -3.3478 -3.3478 -3.0212 -3.0212 3.7341 3.7341 4.4013 4.4013 14.4128 14.4128 15.9843 15.9843 19.6531 19.6531 k = 0.0000 0.2160 0.2605 ( 770 PWs) bands (ev): -24.9417 -24.9417 -10.2238 -10.2238 -5.8608 -5.8608 -3.3690 -3.3690 -3.0516 -3.0516 3.7019 3.7019 4.3686 4.3686 14.4986 14.4986 15.9797 15.9797 19.6964 19.6964 k = 0.0000 0.2240 0.2702 ( 770 PWs) bands (ev): -24.9301 -24.9301 -10.2163 -10.2163 -5.8531 -5.8531 -3.3896 -3.3896 -3.0829 -3.0829 3.6697 3.6697 4.3349 4.3349 14.5853 14.5853 15.9745 15.9745 19.7421 19.7421 k = 0.0000 0.2320 0.2798 ( 770 PWs) bands (ev): -24.9182 -24.9182 -10.2088 -10.2088 -5.8453 -5.8453 -3.4095 -3.4095 -3.1151 -3.1151 3.6377 3.6377 4.3002 4.3002 14.6726 14.6726 15.9687 15.9687 19.7901 19.7901 k = 0.0000 0.2400 0.2895 ( 766 PWs) bands (ev): -24.9061 -24.9061 -10.2014 -10.2014 -5.8374 -5.8374 -3.4286 -3.4286 -3.1482 -3.1482 3.6059 3.6059 4.2646 4.2646 14.7603 14.7603 15.9624 15.9624 19.8406 19.8406 k = 0.0000 0.2480 0.2991 ( 766 PWs) bands (ev): -24.8939 -24.8939 -10.1939 -10.1939 -5.8296 -5.8296 -3.4469 -3.4469 -3.1821 -3.1821 3.5745 3.5745 4.2281 4.2281 14.8483 14.8483 15.9554 15.9554 19.8936 19.8936 k = 0.0000 0.2560 0.3088 ( 766 PWs) bands (ev): -24.8814 -24.8814 -10.1865 -10.1865 -5.8217 -5.8217 -3.4643 -3.4643 -3.2168 -3.2168 3.5436 3.5436 4.1907 4.1907 14.9363 14.9363 15.9478 15.9478 19.9491 19.9491 k = 0.0000 0.2640 0.3184 ( 766 PWs) bands (ev): -24.8688 -24.8688 -10.1792 -10.1792 -5.8138 -5.8138 -3.4806 -3.4806 -3.2523 -3.2523 3.5132 3.5132 4.1524 4.1524 15.0241 15.0241 15.9395 15.9395 20.0071 20.0071 k = 0.0000 0.2720 0.3281 ( 766 PWs) bands (ev): -24.8560 -24.8560 -10.1720 -10.1720 -5.8059 -5.8059 -3.4959 -3.4959 -3.2885 -3.2885 3.4835 3.4835 4.1133 4.1133 15.1116 15.1116 15.9306 15.9306 20.0677 20.0677 k = 0.0000 0.2800 0.3377 ( 762 PWs) bands (ev): -24.8431 -24.8431 -10.1648 -10.1648 -5.7979 -5.7979 -3.5101 -3.5101 -3.3254 -3.3254 3.4545 3.4545 4.0734 4.0734 15.1987 15.1987 15.9211 15.9211 20.1309 20.1309 k = 0.0000 0.2880 0.3474 ( 766 PWs) bands (ev): -24.8301 -24.8301 -10.1579 -10.1579 -5.7899 -5.7899 -3.5231 -3.5231 -3.3630 -3.3630 3.4262 3.4262 4.0328 4.0328 15.2850 15.2850 15.9109 15.9109 20.1966 20.1966 k = 0.0000 0.2960 0.3570 ( 766 PWs) bands (ev): -24.8170 -24.8170 -10.1510 -10.1510 -5.7818 -5.7818 -3.5350 -3.5350 -3.4012 -3.4012 3.3989 3.3989 3.9914 3.9914 15.3704 15.3704 15.9001 15.9001 20.2648 20.2648 k = 0.0000 0.3040 0.3667 ( 766 PWs) bands (ev): -24.8038 -24.8038 -10.1444 -10.1444 -5.7736 -5.7736 -3.5457 -3.5457 -3.4400 -3.4400 3.3726 3.3726 3.9493 3.9493 15.4548 15.4548 15.8886 15.8886 20.3355 20.3355 k = 0.0000 0.3120 0.3763 ( 762 PWs) bands (ev): -24.7906 -24.7906 -10.1380 -10.1380 -5.7653 -5.7653 -3.5552 -3.5552 -3.4791 -3.4791 3.3474 3.3474 3.9067 3.9067 15.5381 15.5381 15.8765 15.8765 20.4087 20.4087 k = 0.0000 0.3200 0.3860 ( 762 PWs) bands (ev): -24.7773 -24.7773 -10.1317 -10.1317 -5.7568 -5.7568 -3.5640 -3.5640 -3.5184 -3.5184 3.3232 3.3232 3.8633 3.8633 15.6200 15.6200 15.8638 15.8638 20.4842 20.4842 k = 0.0000 0.3280 0.3956 ( 760 PWs) bands (ev): -24.7640 -24.7640 -10.1258 -10.1258 -5.7482 -5.7482 -3.5749 -3.5749 -3.5547 -3.5547 3.3003 3.3003 3.8194 3.8194 15.7005 15.7005 15.8505 15.8505 20.5620 20.5620 k = 0.0000 0.3360 0.4053 ( 760 PWs) bands (ev): -24.7507 -24.7507 -10.1200 -10.1200 -5.7393 -5.7393 -3.6047 -3.6047 -3.5713 -3.5713 3.2785 3.2785 3.7750 3.7750 15.7787 15.7787 15.8372 15.8372 20.6419 20.6419 k = 0.0000 0.3440 0.4149 ( 764 PWs) bands (ev): -24.7374 -24.7374 -10.1146 -10.1146 -5.7302 -5.7302 -3.6447 -3.6447 -3.5770 -3.5770 3.2581 3.2581 3.7300 3.7300 15.8193 15.8193 15.8592 15.8592 20.7239 20.7239 k = 0.0000 0.3520 0.4246 ( 762 PWs) bands (ev): -24.7241 -24.7241 -10.1095 -10.1095 -5.7208 -5.7208 -3.6861 -3.6861 -3.5803 -3.5803 3.2391 3.2391 3.6846 3.6846 15.8053 15.8053 15.9335 15.9335 20.8078 20.8078 k = 0.0000 0.3600 0.4342 ( 762 PWs) bands (ev): -24.7109 -24.7109 -10.1046 -10.1046 -5.7111 -5.7111 -3.7281 -3.7281 -3.5821 -3.5821 3.2215 3.2215 3.6389 3.6389 15.7896 15.7896 16.0070 16.0070 20.8934 20.8934 k = 0.0000 0.3680 0.4439 ( 762 PWs) bands (ev): -24.6978 -24.6978 -10.1001 -10.1001 -5.7009 -5.7009 -3.7705 -3.7705 -3.5827 -3.5827 3.2053 3.2053 3.5927 3.5927 15.7732 15.7732 16.0786 16.0786 20.9805 20.9805 k = 0.0000 0.3760 0.4535 ( 766 PWs) bands (ev): -24.6847 -24.6847 -10.0959 -10.0959 -5.6904 -5.6904 -3.8132 -3.8132 -3.5820 -3.5820 3.1906 3.1906 3.5463 3.5463 15.7560 15.7560 16.1481 16.1481 21.0688 21.0688 k = 0.0000 0.3840 0.4632 ( 766 PWs) bands (ev): -24.6718 -24.6718 -10.0921 -10.0921 -5.6794 -5.6794 -3.8562 -3.8562 -3.5802 -3.5802 3.1774 3.1774 3.4996 3.4996 15.7384 15.7384 16.2154 16.2154 21.1584 21.1584 k = 0.0000 0.3920 0.4728 ( 766 PWs) bands (ev): -24.6589 -24.6589 -10.0886 -10.0886 -5.6678 -5.6678 -3.8995 -3.8995 -3.5772 -3.5772 3.1658 3.1658 3.4526 3.4526 15.7202 15.7202 16.2805 16.2805 21.2489 21.2489 k = 0.0000 0.4000 0.4825 ( 766 PWs) bands (ev): -24.6462 -24.6462 -10.0855 -10.0855 -5.6557 -5.6557 -3.9429 -3.9429 -3.5732 -3.5732 3.1558 3.1558 3.4055 3.4055 15.7015 15.7015 16.3432 16.3432 21.3399 21.3399 k = 0.0000 0.4080 0.4921 ( 770 PWs) bands (ev): -24.6336 -24.6336 -10.0828 -10.0828 -5.6429 -5.6429 -3.9864 -3.9864 -3.5681 -3.5681 3.1474 3.1474 3.3583 3.3583 15.6822 15.6822 16.4034 16.4034 21.4313 21.4313 k = 0.0000 0.4160 0.5018 ( 770 PWs) bands (ev): -24.6212 -24.6212 -10.0804 -10.0804 -5.6295 -5.6295 -4.0300 -4.0300 -3.5621 -3.5621 3.1405 3.1405 3.3111 3.3111 15.6625 15.6625 16.4610 16.4610 21.5227 21.5227 k = 0.0000 0.4240 0.5114 ( 770 PWs) bands (ev): -24.6090 -24.6090 -10.0784 -10.0784 -5.6154 -5.6154 -4.0737 -4.0737 -3.5552 -3.5552 3.1351 3.1351 3.2639 3.2639 15.6423 15.6423 16.5158 16.5158 21.6138 21.6139 k = 0.0000 0.4320 0.5211 ( 770 PWs) bands (ev): -24.5969 -24.5969 -10.0769 -10.0769 -5.6005 -5.6005 -4.1173 -4.1173 -3.5474 -3.5474 3.1310 3.1310 3.2171 3.2171 15.6217 15.6217 16.5679 16.5679 21.6729 21.6729 k = 0.0000 0.4400 0.5307 ( 772 PWs) bands (ev): -24.5850 -24.5850 -10.0757 -10.0757 -5.5848 -5.5848 -4.1610 -4.1610 -3.5388 -3.5388 3.1269 3.1269 3.1720 3.1720 15.6006 15.6006 16.6168 16.6168 21.6798 21.6798 k = 0.0000 0.4480 0.5404 ( 772 PWs) bands (ev): -24.5733 -24.5733 -10.0749 -10.0749 -5.5683 -5.5683 -4.2045 -4.2045 -3.5295 -3.5295 3.1110 3.1110 3.1405 3.1405 15.5792 15.5792 16.6627 16.6627 21.6890 21.6890 k = 0.0000 0.4560 0.5500 ( 776 PWs) bands (ev): -24.5619 -24.5619 -10.0745 -10.0745 -5.5510 -5.5510 -4.2479 -4.2479 -3.5195 -3.5195 3.0698 3.0698 3.1359 3.1359 15.5573 15.5573 16.7053 16.7053 21.7008 21.7008 k = 0.0000 0.4640 0.5597 ( 776 PWs) bands (ev): -24.5506 -24.5506 -10.0744 -10.0744 -5.5328 -5.5328 -4.2912 -4.2912 -3.5088 -3.5088 3.0239 3.0239 3.1379 3.1379 15.5351 15.5351 16.7444 16.7444 21.7149 21.7149 k = 0.0000 0.4720 0.5693 ( 776 PWs) bands (ev): -24.5396 -24.5396 -10.0748 -10.0748 -5.5137 -5.5137 -4.3343 -4.3343 -3.4976 -3.4976 2.9775 2.9775 3.1422 3.1422 15.5126 15.5126 16.7799 16.7799 21.6711 21.6712 k = 0.0000 0.4800 0.5790 ( 776 PWs) bands (ev): -24.5289 -24.5289 -10.0755 -10.0755 -5.4938 -5.4938 -4.3771 -4.3771 -3.4859 -3.4859 2.9311 2.9311 3.1484 3.1484 15.4898 15.4898 16.8116 16.8116 21.6048 21.6048 k = 0.0000 0.4880 0.5886 ( 772 PWs) bands (ev): -24.5184 -24.5184 -10.0766 -10.0766 -5.4728 -5.4728 -4.4197 -4.4197 -3.4737 -3.4737 2.8848 2.8848 3.1563 3.1563 15.4668 15.4668 16.8393 16.8393 21.5405 21.5405 k = 0.0000 0.4960 0.5983 ( 772 PWs) bands (ev): -24.5081 -24.5081 -10.0781 -10.0781 -5.4510 -5.4510 -4.4619 -4.4619 -3.4611 -3.4611 2.8389 2.8389 3.1657 3.1657 15.4435 15.4435 16.8628 16.8628 21.4782 21.4782 k = 0.0000 0.5040 0.6079 ( 770 PWs) bands (ev): -24.4981 -24.4981 -10.0799 -10.0799 -5.4283 -5.4283 -4.5038 -4.5038 -3.4482 -3.4482 2.7933 2.7933 3.1767 3.1767 15.4200 15.4200 16.8819 16.8819 21.4178 21.4178 k = 0.0000 0.5120 0.6176 ( 770 PWs) bands (ev): -24.4884 -24.4884 -10.0821 -10.0821 -5.4046 -5.4046 -4.5453 -4.5453 -3.4350 -3.4350 2.7480 2.7480 3.1891 3.1891 15.3963 15.3963 16.8964 16.8964 21.3593 21.3593 k = 0.0000 0.5200 0.6272 ( 770 PWs) bands (ev): -24.4789 -24.4789 -10.0846 -10.0846 -5.3800 -5.3800 -4.5864 -4.5864 -3.4215 -3.4215 2.7032 2.7032 3.2030 3.2030 15.3724 15.3724 16.9062 16.9062 21.3026 21.3026 k = 0.0000 0.5280 0.6369 ( 766 PWs) bands (ev): -24.4697 -24.4697 -10.0874 -10.0874 -5.3545 -5.3545 -4.6270 -4.6270 -3.4078 -3.4078 2.6589 2.6589 3.2182 3.2182 15.3486 15.3486 16.9110 16.9110 21.2477 21.2477 k = 0.0000 0.5360 0.6465 ( 766 PWs) bands (ev): -24.4608 -24.4608 -10.0905 -10.0905 -5.3282 -5.3282 -4.6671 -4.6671 -3.3940 -3.3940 2.6152 2.6152 3.2348 3.2348 15.3244 15.3244 16.9108 16.9108 21.1946 21.1946 k = 0.0000 0.5440 0.6562 ( 762 PWs) bands (ev): -24.4522 -24.4522 -10.0939 -10.0939 -5.3010 -5.3010 -4.7067 -4.7067 -3.3801 -3.3801 2.5720 2.5720 3.2526 3.2526 15.3003 15.3003 16.9053 16.9053 21.1433 21.1433 k = 0.0000 0.5520 0.6658 ( 758 PWs) bands (ev): -24.4438 -24.4438 -10.0975 -10.0975 -5.2730 -5.2730 -4.7457 -4.7457 -3.3661 -3.3661 2.5294 2.5294 3.2716 3.2716 15.2761 15.2761 16.8946 16.8946 21.0936 21.0936 k = 0.0000 0.5600 0.6755 ( 758 PWs) bands (ev): -24.4358 -24.4358 -10.1014 -10.1014 -5.2442 -5.2442 -4.7841 -4.7841 -3.3521 -3.3521 2.4874 2.4874 3.2917 3.2917 15.2518 15.2519 16.8785 16.8785 21.0457 21.0457 k = 0.0000 0.5680 0.6851 ( 758 PWs) bands (ev): -24.4279 -24.4279 -10.1056 -10.1056 -5.2147 -5.2147 -4.8219 -4.8219 -3.3382 -3.3382 2.4462 2.4462 3.3128 3.3128 15.2278 15.2278 16.8570 16.8570 20.9993 20.9993 k = 0.0000 0.5760 0.6948 ( 758 PWs) bands (ev): -24.4205 -24.4205 -10.1099 -10.1099 -5.1845 -5.1845 -4.8590 -4.8590 -3.3243 -3.3243 2.4056 2.4056 3.3350 3.3350 15.2037 15.2037 16.8302 16.8302 20.9546 20.9546 k = 0.0000 0.5840 0.7044 ( 758 PWs) bands (ev): -24.4132 -24.4132 -10.1145 -10.1145 -5.1538 -5.1538 -4.8954 -4.8954 -3.3105 -3.3105 2.3658 2.3658 3.3580 3.3580 15.1797 15.1797 16.7982 16.7982 20.9114 20.9114 k = 0.0000 0.5920 0.7141 ( 762 PWs) bands (ev): -24.4063 -24.4063 -10.1192 -10.1192 -5.1225 -5.1225 -4.9310 -4.9310 -3.2969 -3.2969 2.3268 2.3268 3.3819 3.3819 15.1557 15.1557 16.7610 16.7610 20.8699 20.8699 k = 0.0000 0.6000 0.7237 ( 762 PWs) bands (ev): -24.3997 -24.3997 -10.1241 -10.1241 -5.0908 -5.0908 -4.9657 -4.9657 -3.2834 -3.2834 2.2886 2.2886 3.4064 3.4064 15.1320 15.1320 16.7190 16.7190 20.8298 20.8298 k = 0.0000 0.6080 0.7334 ( 758 PWs) bands (ev): -24.3933 -24.3933 -10.1291 -10.1291 -5.0592 -5.0592 -4.9990 -4.9990 -3.2701 -3.2701 2.2512 2.2512 3.4317 3.4317 15.1084 15.1084 16.6724 16.6724 20.7912 20.7912 k = 0.0000 0.6160 0.7430 ( 754 PWs) bands (ev): -24.3872 -24.3872 -10.1342 -10.1342 -5.0401 -5.0401 -5.0187 -5.0187 -3.2570 -3.2570 2.2148 2.2148 3.4575 3.4575 15.0852 15.0852 16.6215 16.6215 20.7541 20.7541 k = 0.0000 0.6240 0.7527 ( 754 PWs) bands (ev): -24.3814 -24.3814 -10.1394 -10.1394 -5.0677 -5.0677 -4.9906 -4.9906 -3.2443 -3.2443 2.1793 2.1793 3.4837 3.4837 15.0621 15.0621 16.5665 16.5665 20.7185 20.7185 k = 0.0000 0.6320 0.7623 ( 754 PWs) bands (ev): -24.3758 -24.3758 -10.1447 -10.1447 -5.0988 -5.0988 -4.9579 -4.9579 -3.2318 -3.2318 2.1447 2.1447 3.5103 3.5103 15.0394 15.0394 16.5080 16.5080 20.6842 20.6842 k = 0.0000 0.6400 0.7720 ( 754 PWs) bands (ev): -24.3705 -24.3705 -10.1500 -10.1500 -5.1294 -5.1294 -4.9247 -4.9247 -3.2197 -3.2197 2.1110 2.1110 3.5372 3.5372 15.0169 15.0169 16.4462 16.4462 20.6514 20.6514 k = 0.0000 0.6480 0.7816 ( 754 PWs) bands (ev): -24.3654 -24.3654 -10.1553 -10.1553 -5.1591 -5.1591 -4.8914 -4.8914 -3.2079 -3.2079 2.0784 2.0784 3.5643 3.5643 14.9949 14.9949 16.3816 16.3816 20.6200 20.6200 k = 0.0000 0.6560 0.7913 ( 750 PWs) bands (ev): -24.3606 -24.3606 -10.1607 -10.1607 -5.1880 -5.1880 -4.8580 -4.8580 -3.1963 -3.1963 2.0468 2.0468 3.5915 3.5915 14.9733 14.9733 16.3148 16.3148 20.5899 20.5899 k = 0.0000 0.6640 0.8009 ( 750 PWs) bands (ev): -24.3561 -24.3561 -10.1660 -10.1660 -5.2158 -5.2158 -4.8249 -4.8249 -3.1853 -3.1853 2.0163 2.0163 3.6186 3.6186 14.9522 14.9522 16.2461 16.2461 20.5611 20.5611 k = 0.0000 0.6720 0.8106 ( 750 PWs) bands (ev): -24.3518 -24.3518 -10.1713 -10.1713 -5.2428 -5.2428 -4.7919 -4.7919 -3.1746 -3.1746 1.9869 1.9869 3.6456 3.6456 14.9315 14.9315 16.1760 16.1760 20.5337 20.5337 k = 0.0000 0.6800 0.8202 ( 750 PWs) bands (ev): -24.3477 -24.3477 -10.1765 -10.1765 -5.2687 -5.2687 -4.7594 -4.7594 -3.1644 -3.1644 1.9585 1.9585 3.6723 3.6723 14.9114 14.9114 16.1051 16.1051 20.5075 20.5075 k = 0.0000 0.6880 0.8299 ( 750 PWs) bands (ev): -24.3439 -24.3439 -10.1816 -10.1816 -5.2936 -5.2936 -4.7272 -4.7272 -3.1546 -3.1546 1.9313 1.9313 3.6987 3.6987 14.8918 14.8918 16.0337 16.0337 20.4827 20.4827 k = 0.0000 0.6960 0.8395 ( 750 PWs) bands (ev): -24.3403 -24.3403 -10.1867 -10.1867 -5.3174 -5.3174 -4.6957 -4.6957 -3.1452 -3.1452 1.9052 1.9052 3.7247 3.7247 14.8728 14.8728 15.9624 15.9624 20.4591 20.4591 k = 0.0000 0.7040 0.8492 ( 750 PWs) bands (ev): -24.3369 -24.3369 -10.1916 -10.1916 -5.3402 -5.3402 -4.6648 -4.6648 -3.1363 -3.1363 1.8803 1.8803 3.7501 3.7501 14.8545 14.8545 15.8917 15.8917 20.4368 20.4368 k = 0.0000 0.7120 0.8588 ( 750 PWs) bands (ev): -24.3337 -24.3337 -10.1964 -10.1964 -5.3619 -5.3619 -4.6347 -4.6347 -3.1278 -3.1278 1.8565 1.8565 3.7749 3.7749 14.8369 14.8369 15.8219 15.8219 20.4157 20.4157 k = 0.0000 0.7200 0.8685 ( 750 PWs) bands (ev): -24.3308 -24.3308 -10.2010 -10.2010 -5.3825 -5.3825 -4.6054 -4.6054 -3.1198 -3.1198 1.8340 1.8340 3.7990 3.7990 14.8200 14.8200 15.7535 15.7535 20.3959 20.3959 k = 0.0000 0.7200 0.8685 ( 750 PWs) bands (ev): -24.3308 -24.3308 -10.2010 -10.2010 -5.3825 -5.3825 -4.6054 -4.6054 -3.1198 -3.1198 1.8340 1.8340 3.7990 3.7990 14.8200 14.8200 15.7535 15.7535 20.3959 20.3959 k = 0.0054 0.7088 0.8685 ( 750 PWs) bands (ev): -24.3326 -24.3326 -10.1989 -10.1989 -5.3709 -5.3709 -4.6212 -4.6212 -3.1243 -3.1243 1.8474 1.8474 3.7858 3.7858 14.8288 14.8288 15.7931 15.7931 20.4064 20.4064 k = 0.0109 0.6976 0.8685 ( 748 PWs) bands (ev): -24.3349 -24.3349 -10.1977 -10.1977 -5.3589 -5.3589 -4.6355 -4.6355 -3.1288 -3.1288 1.8625 1.8625 3.7731 3.7731 14.8362 14.8362 15.8349 15.8349 20.4162 20.4162 k = 0.0163 0.6864 0.8685 ( 748 PWs) bands (ev): -24.3376 -24.3376 -10.1974 -10.1974 -5.3471 -5.3471 -4.6481 -4.6481 -3.1335 -3.1335 1.8792 1.8792 3.7610 3.7610 14.8424 14.8424 15.8787 15.8787 20.4251 20.4251 k = 0.0217 0.6752 0.8685 ( 748 PWs) bands (ev): -24.3407 -24.3407 -10.1979 -10.1979 -5.3358 -5.3358 -4.6584 -4.6584 -3.1381 -3.1381 1.8973 1.8973 3.7498 3.7498 14.8472 14.8472 15.9245 15.9245 20.4332 20.4332 k = 0.0272 0.6640 0.8685 ( 748 PWs) bands (ev): -24.3442 -24.3442 -10.1994 -10.1994 -5.3254 -5.3254 -4.6663 -4.6663 -3.1428 -3.1428 1.9167 1.9167 3.7394 3.7394 14.8509 14.8509 15.9721 15.9721 20.4406 20.4406 k = 0.0326 0.6528 0.8685 ( 750 PWs) bands (ev): -24.3482 -24.3482 -10.2016 -10.2016 -5.3165 -5.3165 -4.6711 -4.6711 -3.1475 -3.1475 1.9372 1.9372 3.7300 3.7300 14.8533 14.8533 16.0215 16.0215 20.4471 20.4471 k = 0.0380 0.6416 0.8685 ( 750 PWs) bands (ev): -24.3524 -24.3524 -10.2046 -10.2046 -5.3093 -5.3093 -4.6726 -4.6726 -3.1522 -3.1522 1.9587 1.9587 3.7217 3.7217 14.8546 14.8546 16.0725 16.0725 20.4529 20.4529 k = 0.0435 0.6304 0.8685 ( 750 PWs) bands (ev): -24.3570 -24.3570 -10.2084 -10.2084 -5.3044 -5.3044 -4.6704 -4.6704 -3.1568 -3.1568 1.9809 1.9809 3.7147 3.7147 14.8548 14.8548 16.1251 16.1251 20.4580 20.4580 k = 0.0489 0.6192 0.8685 ( 750 PWs) bands (ev): -24.3620 -24.3620 -10.2128 -10.2128 -5.3020 -5.3020 -4.6642 -4.6642 -3.1613 -3.1613 2.0037 2.0037 3.7090 3.7090 14.8540 14.8540 16.1791 16.1791 20.4623 20.4623 k = 0.0543 0.6080 0.8685 ( 750 PWs) bands (ev): -24.3672 -24.3672 -10.2180 -10.2180 -5.3023 -5.3023 -4.6541 -4.6541 -3.1657 -3.1657 2.0269 2.0269 3.7049 3.7049 14.8522 14.8522 16.2343 16.2343 20.4661 20.4661 k = 0.0598 0.5968 0.8685 ( 756 PWs) bands (ev): -24.3728 -24.3728 -10.2238 -10.2238 -5.3053 -5.3053 -4.6398 -4.6398 -3.1699 -3.1699 2.0502 2.0502 3.7024 3.7024 14.8494 14.8494 16.2907 16.2907 20.4691 20.4691 k = 0.0652 0.5856 0.8685 ( 756 PWs) bands (ev): -24.3786 -24.3786 -10.2301 -10.2301 -5.3111 -5.3111 -4.6217 -4.6217 -3.1739 -3.1739 2.0735 2.0735 3.7018 3.7018 14.8457 14.8457 16.3481 16.3481 20.4716 20.4716 k = 0.0707 0.5744 0.8685 ( 756 PWs) bands (ev): -24.3846 -24.3846 -10.2370 -10.2370 -5.3194 -5.3194 -4.6000 -4.6000 -3.1777 -3.1777 2.0965 2.0965 3.7030 3.7030 14.8413 14.8413 16.4064 16.4064 20.4736 20.4736 k = 0.0761 0.5632 0.8685 ( 756 PWs) bands (ev): -24.3909 -24.3909 -10.2444 -10.2444 -5.3299 -5.3299 -4.5751 -4.5751 -3.1812 -3.1812 2.1191 2.1191 3.7063 3.7063 14.8361 14.8361 16.4653 16.4653 20.4751 20.4751 k = 0.0815 0.5520 0.8685 ( 756 PWs) bands (ev): -24.3974 -24.3974 -10.2523 -10.2523 -5.3424 -5.3424 -4.5472 -4.5472 -3.1842 -3.1842 2.1410 2.1410 3.7119 3.7119 14.8302 14.8302 16.5249 16.5249 20.4760 20.4760 k = 0.0870 0.5408 0.8685 ( 756 PWs) bands (ev): -24.4041 -24.4041 -10.2606 -10.2606 -5.3566 -5.3566 -4.5169 -4.5169 -3.1869 -3.1869 2.1620 2.1620 3.7197 3.7197 14.8236 14.8236 16.5849 16.5849 20.4766 20.4766 k = 0.0924 0.5295 0.8685 ( 758 PWs) bands (ev): -24.4109 -24.4109 -10.2692 -10.2692 -5.3721 -5.3721 -4.4846 -4.4846 -3.1891 -3.1891 2.1820 2.1820 3.7298 3.7298 14.8164 14.8164 16.6451 16.6451 20.4767 20.4767 k = 0.0978 0.5183 0.8685 ( 760 PWs) bands (ev): -24.4179 -24.4179 -10.2782 -10.2782 -5.3888 -5.3888 -4.4507 -4.4507 -3.1908 -3.1908 2.2008 2.2008 3.7423 3.7423 14.8087 14.8087 16.7055 16.7055 20.4764 20.4764 k = 0.1033 0.5071 0.8685 ( 760 PWs) bands (ev): -24.4250 -24.4250 -10.2874 -10.2874 -5.4063 -5.4063 -4.4154 -4.4154 -3.1919 -3.1919 2.2183 2.2183 3.7573 3.7573 14.8006 14.8006 16.7658 16.7658 20.4759 20.4759 k = 0.1087 0.4959 0.8685 ( 758 PWs) bands (ev): -24.4322 -24.4322 -10.2969 -10.2969 -5.4246 -5.4246 -4.3793 -4.3793 -3.1923 -3.1923 2.2344 2.2344 3.7748 3.7748 14.7920 14.7920 16.8260 16.8260 20.4750 20.4750 k = 0.1141 0.4847 0.8685 ( 758 PWs) bands (ev): -24.4394 -24.4394 -10.3065 -10.3065 -5.4433 -5.4433 -4.3426 -4.3426 -3.1919 -3.1919 2.2490 2.2490 3.7947 3.7947 14.7830 14.7830 16.8859 16.8859 20.4739 20.4739 k = 0.1196 0.4735 0.8685 ( 757 PWs) bands (ev): -24.4467 -24.4467 -10.3163 -10.3163 -5.4623 -5.4623 -4.3058 -4.3058 -3.1906 -3.1906 2.2621 2.2621 3.8168 3.8168 14.7739 14.7739 16.9453 16.9453 20.4727 20.4727 k = 0.1250 0.4623 0.8685 ( 759 PWs) bands (ev): -24.4541 -24.4541 -10.3262 -10.3262 -5.4814 -5.4814 -4.2691 -4.2691 -3.1885 -3.1885 2.2736 2.2736 3.8412 3.8412 14.7644 14.7644 17.0040 17.0040 20.4712 20.4712 k = 0.1304 0.4511 0.8685 ( 759 PWs) bands (ev): -24.4614 -24.4614 -10.3361 -10.3361 -5.5006 -5.5006 -4.2327 -4.2327 -3.1854 -3.1854 2.2837 2.2837 3.8676 3.8676 14.7547 14.7547 17.0620 17.0620 20.4575 20.4575 k = 0.1359 0.4399 0.8685 ( 757 PWs) bands (ev): -24.4688 -24.4688 -10.3461 -10.3461 -5.5197 -5.5197 -4.1971 -4.1971 -3.1811 -3.1811 2.2923 2.2923 3.8960 3.8960 14.7449 14.7449 17.1191 17.1191 20.3184 20.3184 k = 0.1413 0.4287 0.8685 ( 757 PWs) bands (ev): -24.4760 -24.4760 -10.3560 -10.3560 -5.5387 -5.5387 -4.1625 -4.1625 -3.1758 -3.1758 2.2996 2.2996 3.9261 3.9261 14.7351 14.7351 17.1752 17.1752 20.1784 20.1784 k = 0.1467 0.4175 0.8685 ( 754 PWs) bands (ev): -24.4833 -24.4833 -10.3658 -10.3658 -5.5573 -5.5573 -4.1291 -4.1291 -3.1692 -3.1692 2.3056 2.3056 3.9578 3.9578 14.7251 14.7251 17.2302 17.2302 20.0393 20.0393 k = 0.1522 0.4063 0.8685 ( 756 PWs) bands (ev): -24.4904 -24.4904 -10.3755 -10.3755 -5.5757 -5.5757 -4.0971 -4.0971 -3.1614 -3.1614 2.3103 2.3103 3.9907 3.9907 14.7152 14.7152 17.2839 17.2839 19.9015 19.9015 k = 0.1576 0.3951 0.8685 ( 760 PWs) bands (ev): -24.4975 -24.4975 -10.3851 -10.3851 -5.5936 -5.5936 -4.0668 -4.0668 -3.1524 -3.1524 2.3140 2.3140 4.0247 4.0247 14.7053 14.7053 17.3363 17.3363 19.7654 19.7654 k = 0.1630 0.3839 0.8685 ( 760 PWs) bands (ev): -24.5044 -24.5044 -10.3944 -10.3944 -5.6110 -5.6110 -4.0384 -4.0384 -3.1421 -3.1421 2.3167 2.3167 4.0596 4.0596 14.6955 14.6955 17.3872 17.3872 19.6314 19.6314 k = 0.1685 0.3727 0.8685 ( 764 PWs) bands (ev): -24.5113 -24.5113 -10.4036 -10.4036 -5.6279 -5.6279 -4.0118 -4.0118 -3.1307 -3.1307 2.3186 2.3186 4.0950 4.0950 14.6858 14.6858 17.4365 17.4365 19.5000 19.5000 k = 0.1739 0.3615 0.8685 ( 766 PWs) bands (ev): -24.5179 -24.5179 -10.4124 -10.4124 -5.6441 -5.6441 -3.9874 -3.9874 -3.1181 -3.1181 2.3197 2.3197 4.1308 4.1308 14.6764 14.6764 17.4842 17.4842 19.3713 19.3713 k = 0.1793 0.3503 0.8685 ( 768 PWs) bands (ev): -24.5244 -24.5244 -10.4210 -10.4210 -5.6598 -5.6598 -3.9650 -3.9650 -3.1046 -3.1046 2.3202 2.3202 4.1668 4.1668 14.6672 14.6672 17.5301 17.5301 19.2458 19.2458 k = 0.1848 0.3391 0.8685 ( 768 PWs) bands (ev): -24.5307 -24.5307 -10.4292 -10.4292 -5.6747 -5.6747 -3.9447 -3.9447 -3.0903 -3.0903 2.3203 2.3203 4.2026 4.2026 14.6583 14.6583 17.5742 17.5742 19.1240 19.1240 k = 0.1902 0.3279 0.8685 ( 768 PWs) bands (ev): -24.5367 -24.5367 -10.4371 -10.4371 -5.6889 -5.6889 -3.9264 -3.9264 -3.0753 -3.0753 2.3200 2.3200 4.2381 4.2381 14.6497 14.6497 17.6164 17.6164 19.0060 19.0060 k = 0.1957 0.3167 0.8685 ( 769 PWs) bands (ev): -24.5426 -24.5426 -10.4446 -10.4446 -5.7024 -5.7024 -3.9101 -3.9101 -3.0600 -3.0600 2.3194 2.3194 4.2731 4.2731 14.6414 14.6414 17.6566 17.6566 18.8921 18.8921 k = 0.2011 0.3055 0.8685 ( 769 PWs) bands (ev): -24.5482 -24.5482 -10.4516 -10.4516 -5.7150 -5.7150 -3.8958 -3.8958 -3.0445 -3.0445 2.3186 2.3186 4.3074 4.3074 14.6336 14.6336 17.6947 17.6947 18.7830 18.7830 k = 0.2065 0.2943 0.8685 ( 769 PWs) bands (ev): -24.5536 -24.5536 -10.4582 -10.4582 -5.7268 -5.7268 -3.8832 -3.8832 -3.0291 -3.0291 2.3177 2.3177 4.3406 4.3406 14.6261 14.6261 17.7305 17.7305 18.6787 18.6787 k = 0.2120 0.2831 0.8685 ( 771 PWs) bands (ev): -24.5587 -24.5587 -10.4643 -10.4643 -5.7377 -5.7377 -3.8723 -3.8723 -3.0141 -3.0141 2.3167 2.3167 4.3728 4.3728 14.6192 14.6192 17.7638 17.7638 18.5798 18.5798 k = 0.2174 0.2718 0.8685 ( 771 PWs) bands (ev): -24.5635 -24.5635 -10.4700 -10.4700 -5.7478 -5.7478 -3.8629 -3.8629 -2.9998 -2.9998 2.3159 2.3159 4.4036 4.4036 14.6127 14.6127 17.7943 17.7943 18.4868 18.4868 k = 0.2228 0.2606 0.8685 ( 773 PWs) bands (ev): -24.5681 -24.5681 -10.4751 -10.4751 -5.7569 -5.7569 -3.8549 -3.8549 -2.9864 -2.9864 2.3152 2.3152 4.4329 4.4329 14.6066 14.6066 17.8217 17.8217 18.4004 18.4004 k = 0.2283 0.2494 0.8685 ( 773 PWs) bands (ev): -24.5723 -24.5723 -10.4796 -10.4796 -5.7651 -5.7651 -3.8482 -3.8482 -2.9743 -2.9743 2.3147 2.3147 4.4606 4.4606 14.6012 14.6012 17.8450 17.8450 18.3214 18.3214 k = 0.2337 0.2382 0.8685 ( 772 PWs) bands (ev): -24.5762 -24.5762 -10.4836 -10.4836 -5.7723 -5.7723 -3.8425 -3.8425 -2.9636 -2.9636 2.3145 2.3145 4.4865 4.4865 14.5963 14.5963 17.8631 17.8631 18.2515 18.2515 k = 0.2391 0.2270 0.8685 ( 770 PWs) bands (ev): -24.5799 -24.5799 -10.4870 -10.4870 -5.7785 -5.7785 -3.8379 -3.8379 -2.9545 -2.9545 2.3146 2.3146 4.5105 4.5105 14.5920 14.5920 17.8737 17.8737 18.1928 18.1928 k = 0.2446 0.2158 0.8685 ( 770 PWs) bands (ev): -24.5831 -24.5831 -10.4899 -10.4899 -5.7837 -5.7837 -3.8341 -3.8341 -2.9474 -2.9474 2.3151 2.3151 4.5324 4.5324 14.5884 14.5884 17.8739 17.8739 18.1485 18.1485 k = 0.2500 0.2046 0.8685 ( 770 PWs) bands (ev): -24.5861 -24.5861 -10.4921 -10.4921 -5.7879 -5.7879 -3.8311 -3.8311 -2.9423 -2.9423 2.3160 2.3160 4.5522 4.5522 14.5853 14.5853 17.8614 17.8614 18.1209 18.1209 k = 0.2554 0.1934 0.8685 ( 770 PWs) bands (ev): -24.5887 -24.5887 -10.4937 -10.4937 -5.7911 -5.7911 -3.8289 -3.8289 -2.9395 -2.9395 2.3173 2.3173 4.5697 4.5697 14.5829 14.5829 17.8376 17.8376 18.1089 18.1089 k = 0.2609 0.1822 0.8685 ( 770 PWs) bands (ev): -24.5910 -24.5910 -10.4946 -10.4946 -5.7933 -5.7933 -3.8272 -3.8272 -2.9392 -2.9392 2.3192 2.3192 4.5849 4.5849 14.5812 14.5812 17.8069 17.8069 18.1080 18.1080 k = 0.2663 0.1710 0.8685 ( 770 PWs) bands (ev): -24.5930 -24.5930 -10.4949 -10.4949 -5.7943 -5.7943 -3.8260 -3.8260 -2.9413 -2.9413 2.3216 2.3216 4.5977 4.5977 14.5802 14.5802 17.7742 17.7742 18.1135 18.1135 k = 0.2717 0.1598 0.8685 ( 776 PWs) bands (ev): -24.5945 -24.5945 -10.4945 -10.4945 -5.7944 -5.7944 -3.8254 -3.8254 -2.9461 -2.9461 2.3245 2.3245 4.6079 4.6079 14.5800 14.5800 17.7426 17.7426 18.1222 18.1222 k = 0.2772 0.1486 0.8685 ( 776 PWs) bands (ev): -24.5958 -24.5958 -10.4935 -10.4935 -5.7933 -5.7933 -3.8251 -3.8251 -2.9537 -2.9537 2.3280 2.3280 4.6157 4.6157 14.5804 14.5804 17.7140 17.7140 18.1324 18.1324 k = 0.2826 0.1374 0.8685 ( 774 PWs) bands (ev): -24.5967 -24.5967 -10.4918 -10.4918 -5.7912 -5.7912 -3.8252 -3.8252 -2.9640 -2.9640 2.3322 2.3322 4.6209 4.6209 14.5816 14.5816 17.6893 17.6893 18.1429 18.1429 k = 0.2880 0.1262 0.8685 ( 774 PWs) bands (ev): -24.5972 -24.5972 -10.4895 -10.4895 -5.7879 -5.7879 -3.8256 -3.8256 -2.9772 -2.9772 2.3370 2.3370 4.6235 4.6235 14.5835 14.5835 17.6692 17.6692 18.1534 18.1534 k = 0.2935 0.1150 0.8685 ( 774 PWs) bands (ev): -24.5974 -24.5974 -10.4864 -10.4864 -5.7836 -5.7836 -3.8263 -3.8263 -2.9933 -2.9933 2.3424 2.3424 4.6234 4.6234 14.5862 14.5862 17.6538 17.6538 18.1633 18.1633 k = 0.2989 0.1038 0.8685 ( 772 PWs) bands (ev): -24.5972 -24.5972 -10.4827 -10.4827 -5.7782 -5.7782 -3.8272 -3.8272 -3.0123 -3.0123 2.3484 2.3484 4.6208 4.6208 14.5897 14.5897 17.6433 17.6433 18.1726 18.1726 k = 0.3043 0.0926 0.8685 ( 772 PWs) bands (ev): -24.5967 -24.5967 -10.4783 -10.4783 -5.7718 -5.7718 -3.8284 -3.8284 -3.0342 -3.0342 2.3552 2.3552 4.6156 4.6156 14.5940 14.5940 17.6375 17.6375 18.1811 18.1811 k = 0.3098 0.0814 0.8685 ( 772 PWs) bands (ev): -24.5959 -24.5959 -10.4732 -10.4732 -5.7642 -5.7642 -3.8298 -3.8298 -3.0591 -3.0591 2.3626 2.3626 4.6077 4.6077 14.5990 14.5990 17.6365 17.6365 18.1889 18.1889 k = 0.3152 0.0702 0.8685 ( 772 PWs) bands (ev): -24.5947 -24.5947 -10.4675 -10.4675 -5.7555 -5.7555 -3.8313 -3.8313 -3.0867 -3.0867 2.3706 2.3706 4.5972 4.5972 14.6048 14.6048 17.6401 17.6401 18.1958 18.1958 k = 0.3207 0.0590 0.8685 ( 770 PWs) bands (ev): -24.5932 -24.5932 -10.4611 -10.4611 -5.7458 -5.7458 -3.8331 -3.8331 -3.1171 -3.1171 2.3794 2.3794 4.5842 4.5842 14.6115 14.6115 17.6481 17.6481 18.2020 18.2020 k = 0.3261 0.0478 0.8685 ( 770 PWs) bands (ev): -24.5913 -24.5913 -10.4540 -10.4540 -5.7349 -5.7349 -3.8350 -3.8350 -3.1502 -3.1502 2.3889 2.3889 4.5688 4.5688 14.6189 14.6189 17.6601 17.6601 18.2074 18.2075 k = 0.3315 0.0366 0.8685 ( 769 PWs) bands (ev): -24.5892 -24.5892 -10.4463 -10.4463 -5.7230 -5.7230 -3.8370 -3.8370 -3.1860 -3.1860 2.3990 2.3990 4.5508 4.5508 14.6271 14.6271 17.6759 17.6759 18.2122 18.2122 k = 0.3370 0.0253 0.8685 ( 767 PWs) bands (ev): -24.5867 -24.5867 -10.4380 -10.4380 -5.7101 -5.7101 -3.8393 -3.8393 -3.2243 -3.2243 2.4098 2.4098 4.5306 4.5306 14.6361 14.6361 17.6951 17.6951 18.2164 18.2164 k = 0.3424 0.0141 0.8685 ( 767 PWs) bands (ev): -24.5840 -24.5840 -10.4290 -10.4290 -5.6960 -5.6960 -3.8418 -3.8418 -3.2650 -3.2650 2.4213 2.4213 4.5080 4.5080 14.6458 14.6458 17.7173 17.7173 18.2201 18.2201 k = 0.3478 0.0029 0.8685 ( 767 PWs) bands (ev): -24.5810 -24.5810 -10.4194 -10.4194 -5.6810 -5.6810 -3.8444 -3.8444 -3.3080 -3.3080 2.4334 2.4334 4.4832 4.4832 14.6564 14.6564 17.7420 17.7420 18.2236 18.2236 k = 0.3533-0.0083 0.8685 ( 771 PWs) bands (ev): -24.5777 -24.5777 -10.4092 -10.4092 -5.6649 -5.6649 -3.8474 -3.8474 -3.3531 -3.3531 2.4461 2.4461 4.4562 4.4562 14.6676 14.6676 17.7686 17.7686 18.2268 18.2268 k = 0.3587-0.0195 0.8685 ( 771 PWs) bands (ev): -24.5741 -24.5741 -10.3984 -10.3984 -5.6478 -5.6478 -3.8506 -3.8506 -3.4001 -3.4001 2.4595 2.4595 4.4273 4.4273 14.6797 14.6797 17.7967 17.7967 18.2303 18.2303 k = 0.3641-0.0307 0.8685 ( 769 PWs) bands (ev): -24.5703 -24.5703 -10.3870 -10.3870 -5.6296 -5.6296 -3.8543 -3.8543 -3.4489 -3.4489 2.4736 2.4736 4.3965 4.3965 14.6926 14.6926 17.8253 17.8253 18.2343 18.2343 k = 0.3696-0.0419 0.8685 ( 769 PWs) bands (ev): -24.5663 -24.5663 -10.3751 -10.3751 -5.6105 -5.6105 -3.8584 -3.8584 -3.4991 -3.4991 2.4882 2.4882 4.3638 4.3638 14.7061 14.7061 17.8539 17.8539 18.2391 18.2391 k = 0.3750-0.0531 0.8685 ( 767 PWs) bands (ev): -24.5620 -24.5620 -10.3626 -10.3626 -5.5904 -5.5904 -3.8633 -3.8633 -3.5504 -3.5504 2.5033 2.5033 4.3295 4.3295 14.7204 14.7204 17.8814 17.8814 18.2452 18.2452 k = 0.3804-0.0643 0.8685 ( 769 PWs) bands (ev): -24.5576 -24.5576 -10.3496 -10.3496 -5.5694 -5.5694 -3.8694 -3.8694 -3.6022 -3.6022 2.5190 2.5190 4.2936 4.2936 14.7355 14.7355 17.9070 17.9070 18.2532 18.2532 k = 0.3859-0.0755 0.8685 ( 769 PWs) bands (ev): -24.5529 -24.5529 -10.3361 -10.3361 -5.5474 -5.5474 -3.8774 -3.8774 -3.6538 -3.6538 2.5352 2.5352 4.2563 4.2563 14.7512 14.7512 17.9296 17.9296 18.2635 18.2635 k = 0.3913-0.0867 0.8685 ( 769 PWs) bands (ev): -24.5481 -24.5481 -10.3222 -10.3222 -5.5245 -5.5245 -3.8885 -3.8885 -3.7035 -3.7035 2.5519 2.5519 4.2177 4.2177 14.7677 14.7677 17.9487 17.9487 18.2766 18.2766 k = 0.3967-0.0979 0.8685 ( 767 PWs) bands (ev): -24.5432 -24.5432 -10.3078 -10.3078 -5.5008 -5.5008 -3.9053 -3.9053 -3.7488 -3.7488 2.5691 2.5691 4.1780 4.1780 14.7849 14.7849 17.9635 17.9635 18.2924 18.2924 k = 0.4022-0.1091 0.8685 ( 767 PWs) bands (ev): -24.5381 -24.5381 -10.2930 -10.2930 -5.4762 -5.4762 -3.9314 -3.9314 -3.7859 -3.7859 2.5866 2.5866 4.1374 4.1374 14.8027 14.8027 17.9739 17.9739 18.3109 18.3109 k = 0.4076-0.1203 0.8685 ( 767 PWs) bands (ev): -24.5329 -24.5329 -10.2779 -10.2779 -5.4508 -5.4508 -3.9690 -3.9690 -3.8124 -3.8124 2.6044 2.6044 4.0959 4.0959 14.8211 14.8211 17.9801 17.9801 18.3313 18.3313 k = 0.4130-0.1315 0.8685 ( 769 PWs) bands (ev): -24.5276 -24.5276 -10.2623 -10.2623 -5.4246 -5.4246 -4.0164 -4.0164 -3.8300 -3.8300 2.6225 2.6225 4.0537 4.0537 14.8401 14.8401 17.9825 17.9825 18.3529 18.3529 k = 0.4185-0.1427 0.8685 ( 769 PWs) bands (ev): -24.5223 -24.5223 -10.2465 -10.2465 -5.3977 -5.3977 -4.0699 -4.0699 -3.8420 -3.8420 2.6408 2.6408 4.0111 4.0111 14.8598 14.8598 17.9816 17.9816 18.3748 18.3748 k = 0.4239-0.1539 0.8685 ( 767 PWs) bands (ev): -24.5169 -24.5169 -10.2303 -10.2303 -5.3701 -5.3701 -4.1269 -4.1269 -3.8510 -3.8510 2.6593 2.6593 3.9682 3.9682 14.8800 14.8800 17.9779 17.9779 18.3962 18.3962 k = 0.4293-0.1651 0.8685 ( 765 PWs) bands (ev): -24.5115 -24.5115 -10.2138 -10.2138 -5.3419 -5.3419 -4.1858 -4.1858 -3.8583 -3.8583 2.6778 2.6778 3.9252 3.9252 14.9008 14.9008 17.9719 17.9719 18.4164 18.4164 k = 0.4348-0.1763 0.8685 ( 765 PWs) bands (ev): -24.5061 -24.5061 -10.1972 -10.1972 -5.3131 -5.3131 -4.2458 -4.2458 -3.8646 -3.8646 2.6963 2.6963 3.8824 3.8824 14.9222 14.9222 17.9640 17.9640 18.4345 18.4345 k = 0.4402-0.1875 0.8685 ( 765 PWs) bands (ev): -24.5007 -24.5007 -10.1803 -10.1803 -5.2839 -5.2839 -4.3062 -4.3062 -3.8705 -3.8705 2.7146 2.7146 3.8398 3.8398 14.9441 14.9441 17.9544 17.9544 18.4502 18.4502 k = 0.4457-0.1987 0.8685 ( 763 PWs) bands (ev): -24.4953 -24.4953 -10.1633 -10.1633 -5.2543 -5.2543 -4.3665 -4.3665 -3.8761 -3.8761 2.7326 2.7326 3.7979 3.7979 14.9664 14.9664 17.9434 17.9434 18.4630 18.4630 k = 0.4511-0.2099 0.8685 ( 763 PWs) bands (ev): -24.4900 -24.4900 -10.1462 -10.1462 -5.2246 -5.2246 -4.4264 -4.4264 -3.8815 -3.8815 2.7502 2.7502 3.7568 3.7568 14.9893 14.9893 17.9313 17.9313 18.4727 18.4727 k = 0.4565-0.2211 0.8685 ( 763 PWs) bands (ev): -24.4848 -24.4848 -10.1289 -10.1289 -5.1948 -5.1948 -4.4854 -4.4854 -3.8870 -3.8870 2.7671 2.7671 3.7168 3.7168 15.0126 15.0126 17.9181 17.9181 18.4789 18.4789 k = 0.4620-0.2324 0.8685 ( 761 PWs) bands (ev): -24.4797 -24.4797 -10.1117 -10.1117 -5.1654 -5.1654 -4.5432 -4.5432 -3.8924 -3.8924 2.7832 2.7832 3.6782 3.6782 15.0363 15.0363 17.9039 17.9039 18.4817 18.4817 k = 0.4674-0.2436 0.8685 ( 761 PWs) bands (ev): -24.4748 -24.4748 -10.0944 -10.0944 -5.1368 -5.1368 -4.5990 -4.5990 -3.8979 -3.8979 2.7982 2.7982 3.6414 3.6414 15.0605 15.0605 17.8889 17.8889 18.4810 18.4810 k = 0.4728-0.2548 0.8685 ( 763 PWs) bands (ev): -24.4700 -24.4700 -10.0771 -10.0771 -5.1098 -5.1098 -4.6520 -4.6520 -3.9036 -3.9036 2.8119 2.8119 3.6066 3.6066 15.0849 15.0849 17.8729 17.8729 18.4768 18.4768 k = 0.4783-0.2660 0.8685 ( 769 PWs) bands (ev): -24.4653 -24.4653 -10.0600 -10.0600 -5.0857 -5.0857 -4.7007 -4.7007 -3.9094 -3.9094 2.8238 2.8238 3.5745 3.5745 15.1098 15.1098 17.8562 17.8562 18.4693 18.4693 k = 0.4837-0.2772 0.8685 ( 769 PWs) bands (ev): -24.4609 -24.4609 -10.0429 -10.0429 -5.0669 -5.0669 -4.7427 -4.7427 -3.9153 -3.9153 2.8338 2.8338 3.5453 3.5453 15.1349 15.1349 17.8387 17.8387 18.4587 18.4587 k = 0.4891-0.2884 0.8685 ( 768 PWs) bands (ev): -24.4567 -24.4567 -10.0260 -10.0260 -5.0571 -5.0571 -4.7743 -4.7743 -3.9214 -3.9214 2.8413 2.8413 3.5196 3.5196 15.1604 15.1604 17.8203 17.8203 18.4454 18.4454 k = 0.4946-0.2996 0.8685 ( 766 PWs) bands (ev): -24.4528 -24.4528 -10.0093 -10.0093 -5.0603 -5.0603 -4.7912 -4.7912 -3.9276 -3.9276 2.8462 2.8462 3.4976 3.4976 15.1862 15.1862 17.8010 17.8010 18.4296 18.4296 k = 0.5000-0.3108 0.8685 ( 766 PWs) bands (ev): -24.4491 -24.4491 -9.9928 -9.9928 -5.0782 -5.0782 -4.7918 -4.7918 -3.9341 -3.9341 2.8481 2.8481 3.4798 3.4798 15.2121 15.2121 17.7806 17.7806 18.4117 18.4117 k = 0.5000-0.3108 0.8685 ( 766 PWs) bands (ev): -24.4491 -24.4491 -9.9928 -9.9928 -5.0782 -5.0782 -4.7918 -4.7918 -3.9341 -3.9341 2.8481 2.8481 3.4798 3.4798 15.2121 15.2121 17.7806 17.7806 18.4117 18.4117 k = 0.5000-0.3187 0.8589 ( 762 PWs) bands (ev): -24.4431 -24.4431 -9.9648 -9.9648 -5.1203 -5.1203 -4.7793 -4.7793 -3.9453 -3.9453 2.8496 2.8496 3.4530 3.4530 15.2567 15.2567 17.7416 17.7416 18.3794 18.3794 k = 0.5000-0.3266 0.8494 ( 762 PWs) bands (ev): -24.4373 -24.4373 -9.9375 -9.9375 -5.1617 -5.1617 -4.7657 -4.7657 -3.9563 -3.9563 2.8523 2.8523 3.4266 3.4266 15.3002 15.3002 17.6970 17.6970 18.3475 18.3475 k = 0.5000-0.3345 0.8399 ( 762 PWs) bands (ev): -24.4318 -24.4318 -9.9110 -9.9110 -5.2023 -5.2023 -4.7512 -4.7512 -3.9671 -3.9671 2.8562 2.8562 3.4006 3.4006 15.3427 15.3427 17.6474 17.6474 18.3159 18.3159 k = 0.5000-0.3424 0.8304 ( 762 PWs) bands (ev): -24.4265 -24.4265 -9.8851 -9.8851 -5.2422 -5.2422 -4.7357 -4.7357 -3.9776 -3.9776 2.8614 2.8614 3.3750 3.3750 15.3842 15.3842 17.5930 17.5930 18.2845 18.2845 k = 0.5000-0.3503 0.8208 ( 766 PWs) bands (ev): -24.4214 -24.4214 -9.8600 -9.8600 -5.2813 -5.2813 -4.7194 -4.7194 -3.9880 -3.9880 2.8677 2.8677 3.3499 3.3499 15.4244 15.4244 17.5343 17.5343 18.2536 18.2536 k = 0.5000-0.3582 0.8113 ( 766 PWs) bands (ev): -24.4166 -24.4166 -9.8356 -9.8356 -5.3195 -5.3195 -4.7024 -4.7024 -3.9980 -3.9980 2.8752 2.8752 3.3253 3.3253 15.4636 15.4636 17.4716 17.4716 18.2229 18.2229 k = 0.5000-0.3661 0.8018 ( 766 PWs) bands (ev): -24.4120 -24.4120 -9.8119 -9.8119 -5.3569 -5.3569 -4.6847 -4.6847 -4.0076 -4.0076 2.8837 2.8837 3.3012 3.3012 15.5017 15.5017 17.4054 17.4054 18.1927 18.1927 k = 0.5000-0.3740 0.7922 ( 764 PWs) bands (ev): -24.4077 -24.4077 -9.7890 -9.7890 -5.3933 -5.3933 -4.6665 -4.6665 -4.0169 -4.0169 2.8931 2.8931 3.2776 3.2776 15.5386 15.5386 17.3361 17.3361 18.1629 18.1629 k = 0.5000-0.3819 0.7827 ( 764 PWs) bands (ev): -24.4035 -24.4035 -9.7669 -9.7669 -5.4289 -5.4289 -4.6478 -4.6478 -4.0258 -4.0258 2.9035 2.9035 3.2546 3.2546 15.5743 15.5743 17.2641 17.2641 18.1335 18.1335 k = 0.5000-0.3898 0.7732 ( 764 PWs) bands (ev): -24.3996 -24.3996 -9.7456 -9.7456 -5.4634 -5.4634 -4.6288 -4.6288 -4.0343 -4.0343 2.9146 2.9146 3.2322 3.2322 15.6088 15.6088 17.1899 17.1899 18.1046 18.1046 k = 0.5000-0.3977 0.7637 ( 766 PWs) bands (ev): -24.3959 -24.3959 -9.7250 -9.7250 -5.4970 -5.4970 -4.6095 -4.6095 -4.0424 -4.0424 2.9265 2.9265 3.2104 3.2104 15.6421 15.6421 17.1138 17.1138 18.0762 18.0762 k = 0.5000-0.4056 0.7541 ( 770 PWs) bands (ev): -24.3924 -24.3924 -9.7052 -9.7052 -5.5296 -5.5296 -4.5902 -4.5902 -4.0500 -4.0500 2.9389 2.9389 3.1892 3.1892 15.6741 15.6741 17.0364 17.0364 18.0484 18.0484 k = 0.5000-0.4134 0.7446 ( 770 PWs) bands (ev): -24.3891 -24.3891 -9.6862 -9.6862 -5.5612 -5.5612 -4.5709 -4.5709 -4.0570 -4.0570 2.9520 2.9520 3.1687 3.1687 15.7049 15.7049 16.9582 16.9582 18.0211 18.0211 k = 0.5000-0.4213 0.7351 ( 774 PWs) bands (ev): -24.3860 -24.3860 -9.6680 -9.6680 -5.5917 -5.5917 -4.5517 -4.5517 -4.0634 -4.0634 2.9654 2.9654 3.1488 3.1488 15.7345 15.7345 16.8793 16.8793 17.9945 17.9945 k = 0.5000-0.4292 0.7256 ( 774 PWs) bands (ev): -24.3831 -24.3831 -9.6505 -9.6505 -5.6211 -5.6211 -4.5328 -4.5328 -4.0691 -4.0691 2.9792 2.9792 3.1298 3.1298 15.7628 15.7628 16.8004 16.8004 17.9686 17.9686 k = 0.5000-0.4371 0.7160 ( 770 PWs) bands (ev): -24.3803 -24.3803 -9.6339 -9.6339 -5.6494 -5.6494 -4.5144 -4.5144 -4.0742 -4.0742 2.9933 2.9933 3.1115 3.1115 15.7898 15.7898 16.7218 16.7218 17.9433 17.9433 k = 0.5000-0.4450 0.7065 ( 770 PWs) bands (ev): -24.3777 -24.3777 -9.6180 -9.6180 -5.6766 -5.6766 -4.4964 -4.4964 -4.0785 -4.0785 3.0072 3.0072 3.0942 3.0942 15.8156 15.8156 16.6439 16.6439 17.9189 17.9189 k = 0.5000-0.4529 0.6970 ( 770 PWs) bands (ev): -24.3753 -24.3753 -9.6029 -9.6029 -5.7027 -5.7027 -4.4792 -4.4792 -4.0820 -4.0820 3.0206 3.0206 3.0783 3.0783 15.8401 15.8401 16.5671 16.5671 17.8952 17.8952 k = 0.5000-0.4608 0.6875 ( 770 PWs) bands (ev): -24.3731 -24.3731 -9.5886 -9.5886 -5.7276 -5.7276 -4.4629 -4.4629 -4.0847 -4.0847 3.0316 3.0316 3.0655 3.0655 15.8633 15.8633 16.4917 16.4917 17.8724 17.8724 k = 0.5000-0.4687 0.6779 ( 770 PWs) bands (ev): -24.3710 -24.3710 -9.5750 -9.5750 -5.7514 -5.7514 -4.4474 -4.4474 -4.0864 -4.0864 3.0331 3.0331 3.0628 3.0628 15.8853 15.8853 16.4181 16.4181 17.8505 17.8505 k = 0.5000-0.4766 0.6684 ( 770 PWs) bands (ev): -24.3691 -24.3691 -9.5622 -9.5622 -5.7739 -5.7739 -4.4331 -4.4331 -4.0873 -4.0873 3.0233 3.0233 3.0721 3.0721 15.9061 15.9061 16.3465 16.3465 17.8295 17.8295 k = 0.5000-0.4845 0.6589 ( 770 PWs) bands (ev): -24.3673 -24.3673 -9.5502 -9.5502 -5.7953 -5.7953 -4.4199 -4.4199 -4.0872 -4.0872 3.0108 3.0108 3.0847 3.0847 15.9255 15.9255 16.2774 16.2774 17.8095 17.8095 k = 0.5000-0.4924 0.6494 ( 782 PWs) bands (ev): -24.3657 -24.3657 -9.5390 -9.5390 -5.8154 -5.8154 -4.4080 -4.4080 -4.0862 -4.0862 2.9981 2.9981 3.0977 3.0977 15.9434 15.9434 16.2110 16.2110 17.7905 17.7905 k = 0.5000-0.5003 0.6398 ( 782 PWs) bands (ev): -24.3642 -24.3642 -9.5285 -9.5285 -5.8343 -5.8343 -4.3973 -4.3973 -4.0843 -4.0843 2.9860 2.9860 3.1107 3.1107 15.9604 15.9604 16.1475 16.1475 17.7725 17.7725 k = 0.5000-0.5082 0.6303 ( 782 PWs) bands (ev): -24.3629 -24.3629 -9.5188 -9.5188 -5.8520 -5.8520 -4.3879 -4.3879 -4.0816 -4.0816 2.9745 2.9745 3.1234 3.1234 15.9761 15.9761 16.0873 16.0873 17.7556 17.7556 k = 0.5000-0.5161 0.6208 ( 782 PWs) bands (ev): -24.3616 -24.3616 -9.5098 -9.5098 -5.8684 -5.8684 -4.3798 -4.3798 -4.0783 -4.0783 2.9638 2.9638 3.1355 3.1355 15.9905 15.9905 16.0308 16.0308 17.7399 17.7399 k = 0.5000-0.5240 0.6113 ( 778 PWs) bands (ev): -24.3605 -24.3605 -9.5015 -9.5015 -5.8835 -5.8835 -4.3729 -4.3729 -4.0743 -4.0743 2.9538 2.9538 3.1470 3.1470 15.9771 15.9771 16.0045 16.0045 17.7253 17.7253 k = 0.5000-0.5319 0.6017 ( 778 PWs) bands (ev): -24.3594 -24.3594 -9.4940 -9.4940 -5.8973 -5.8973 -4.3670 -4.3670 -4.0700 -4.0700 2.9447 2.9447 3.1578 3.1578 15.9283 15.9283 16.0163 16.0163 17.7118 17.7118 k = 0.5000-0.5398 0.5922 ( 778 PWs) bands (ev): -24.3585 -24.3585 -9.4872 -9.4872 -5.9099 -5.9099 -4.3621 -4.3621 -4.0655 -4.0655 2.9364 2.9364 3.1677 3.1677 15.8833 15.8833 16.0272 16.0272 17.6996 17.6996 k = 0.5000-0.5477 0.5827 ( 778 PWs) bands (ev): -24.3577 -24.3577 -9.4812 -9.4812 -5.9211 -5.9211 -4.3582 -4.3582 -4.0608 -4.0608 2.9289 2.9289 3.1769 3.1769 15.8426 15.8426 16.0370 16.0370 17.6886 17.6886 k = 0.5000-0.5556 0.5732 ( 778 PWs) bands (ev): -24.3570 -24.3570 -9.4758 -9.4758 -5.9311 -5.9311 -4.3549 -4.3549 -4.0563 -4.0563 2.9223 2.9223 3.1851 3.1851 15.8063 15.8063 16.0455 16.0455 17.6788 17.6788 k = 0.5000-0.5635 0.5636 ( 780 PWs) bands (ev): -24.3564 -24.3564 -9.4712 -9.4712 -5.9397 -5.9397 -4.3524 -4.3524 -4.0522 -4.0522 2.9166 2.9166 3.1923 3.1923 15.7744 15.7744 16.0529 16.0529 17.6703 17.6703 k = 0.5000-0.5714 0.5541 ( 780 PWs) bands (ev): -24.3559 -24.3559 -9.4673 -9.4673 -5.9470 -5.9470 -4.3504 -4.3504 -4.0483 -4.0483 2.9117 2.9117 3.1984 3.1984 15.7474 15.7474 16.0592 16.0592 17.6630 17.6630 k = 0.5000-0.5793 0.5446 ( 780 PWs) bands (ev): -24.3555 -24.3555 -9.4641 -9.4641 -5.9530 -5.9530 -4.3489 -4.3489 -4.0450 -4.0450 2.9077 2.9077 3.2036 3.2036 15.7251 15.7251 16.0643 16.0643 17.6571 17.6571 k = 0.5000-0.5872 0.5351 ( 780 PWs) bands (ev): -24.3552 -24.3552 -9.4616 -9.4616 -5.9577 -5.9577 -4.3478 -4.3478 -4.0424 -4.0424 2.9046 2.9046 3.2076 3.2076 15.7077 15.7077 16.0682 16.0682 17.6525 17.6525 k = 0.5000-0.5951 0.5255 ( 780 PWs) bands (ev): -24.3550 -24.3550 -9.4599 -9.4599 -5.9610 -5.9610 -4.3470 -4.3470 -4.0404 -4.0404 2.9024 2.9024 3.2105 3.2105 15.6952 15.6952 16.0711 16.0711 17.6492 17.6492 k = 0.5000-0.6030 0.5160 ( 780 PWs) bands (ev): -24.3548 -24.3548 -9.4588 -9.4588 -5.9630 -5.9630 -4.3466 -4.3466 -4.0392 -4.0392 2.9011 2.9011 3.2122 3.2122 15.6877 15.6877 16.0728 16.0728 17.6472 17.6472 k = 0.5000-0.6109 0.5065 ( 776 PWs) bands (ev): -24.3548 -24.3548 -9.4585 -9.4585 -5.9637 -5.9637 -4.3464 -4.3464 -4.0388 -4.0388 2.9006 2.9006 3.2129 3.2129 15.6852 15.6852 16.0734 16.0734 17.6465 17.6465 k = 1.0000-0.3684 0.3054 ( 754 PWs) bands (ev): -24.3082 -24.3082 -10.2423 -10.2423 -5.5527 -5.5527 -4.3380 -4.3380 -3.0565 -3.0565 1.6479 1.6479 4.0182 4.0182 14.6730 14.6730 15.1117 15.1117 20.2375 20.2375 k = 1.0000-0.3605 0.3149 ( 752 PWs) bands (ev): -24.3082 -24.3082 -10.2422 -10.2422 -5.5521 -5.5521 -4.3391 -4.3391 -3.0567 -3.0567 1.6486 1.6486 4.0174 4.0174 14.6736 14.6736 15.1142 15.1142 20.2381 20.2381 k = 1.0000-0.3527 0.3243 ( 752 PWs) bands (ev): -24.3084 -24.3084 -10.2417 -10.2417 -5.5503 -5.5503 -4.3422 -4.3422 -3.0573 -3.0573 1.6506 1.6506 4.0149 4.0149 14.6752 14.6752 15.1217 15.1217 20.2397 20.2397 k = 1.0000-0.3448 0.3338 ( 752 PWs) bands (ev): -24.3088 -24.3088 -10.2409 -10.2409 -5.5473 -5.5473 -4.3473 -4.3473 -3.0584 -3.0584 1.6538 1.6538 4.0107 4.0107 14.6779 14.6779 15.1341 15.1341 20.2424 20.2424 k = 1.0000-0.3370 0.3433 ( 754 PWs) bands (ev): -24.3093 -24.3093 -10.2398 -10.2398 -5.5431 -5.5431 -4.3544 -4.3544 -3.0599 -3.0599 1.6584 1.6584 4.0048 4.0048 14.6816 14.6816 15.1514 15.1514 20.2462 20.2462 k = 1.0000-0.3291 0.3527 ( 750 PWs) bands (ev): -24.3100 -24.3100 -10.2385 -10.2385 -5.5377 -5.5377 -4.3635 -4.3635 -3.0618 -3.0618 1.6643 1.6643 3.9974 3.9974 14.6865 14.6865 15.1735 15.1735 20.2510 20.2510 k = 1.0000-0.3213 0.3622 ( 750 PWs) bands (ev): -24.3108 -24.3108 -10.2368 -10.2368 -5.5311 -5.5311 -4.3746 -4.3746 -3.0641 -3.0641 1.6715 1.6715 3.9884 3.9884 14.6923 14.6923 15.2003 15.2003 20.2570 20.2570 k = 1.0000-0.3134 0.3717 ( 750 PWs) bands (ev): -24.3118 -24.3118 -10.2348 -10.2348 -5.5234 -5.5234 -4.3876 -4.3876 -3.0669 -3.0669 1.6799 1.6799 3.9778 3.9778 14.6992 14.6992 15.2317 15.2317 20.2641 20.2641 k = 1.0000-0.3056 0.3811 ( 750 PWs) bands (ev): -24.3129 -24.3129 -10.2325 -10.2325 -5.5145 -5.5145 -4.4024 -4.4024 -3.0702 -3.0702 1.6897 1.6897 3.9658 3.9658 14.7071 14.7071 15.2675 15.2675 20.2722 20.2722 k = 1.0000-0.2977 0.3906 ( 746 PWs) bands (ev): -24.3142 -24.3142 -10.2300 -10.2300 -5.5044 -5.5044 -4.4190 -4.4190 -3.0738 -3.0738 1.7008 1.7008 3.9522 3.9522 14.7162 14.7162 15.3075 15.3075 20.2815 20.2815 k = 1.0000-0.2899 0.4000 ( 758 PWs) bands (ev): -24.3157 -24.3157 -10.2272 -10.2272 -5.4931 -5.4931 -4.4373 -4.4373 -3.0780 -3.0780 1.7131 1.7131 3.9371 3.9371 14.7260 14.7260 15.3517 15.3517 20.2918 20.2918 k = 1.0000-0.2820 0.4095 ( 758 PWs) bands (ev): -24.3173 -24.3173 -10.2242 -10.2242 -5.4807 -5.4807 -4.4571 -4.4571 -3.0826 -3.0826 1.7266 1.7266 3.9208 3.9208 14.7368 14.7368 15.3996 15.3996 20.3033 20.3033 k = 1.0000-0.2742 0.4190 ( 758 PWs) bands (ev): -24.3191 -24.3191 -10.2208 -10.2208 -5.4671 -5.4671 -4.4786 -4.4786 -3.0877 -3.0877 1.7415 1.7415 3.9032 3.9032 14.7485 14.7485 15.4512 15.4512 20.3159 20.3159 k = 1.0000-0.2663 0.4284 ( 750 PWs) bands (ev): -24.3211 -24.3211 -10.2173 -10.2173 -5.4524 -5.4524 -4.5014 -4.5014 -3.0931 -3.0931 1.7576 1.7576 3.8846 3.8846 14.7612 14.7612 15.5062 15.5062 20.3296 20.3296 k = 1.0000-0.2585 0.4379 ( 746 PWs) bands (ev): -24.3232 -24.3232 -10.2135 -10.2135 -5.4366 -5.4366 -4.5256 -4.5256 -3.0991 -3.0991 1.7749 1.7749 3.8647 3.8647 14.7748 14.7748 15.5642 15.5642 20.3445 20.3445 k = 1.0000-0.2507 0.4474 ( 750 PWs) bands (ev): -24.3255 -24.3255 -10.2095 -10.2095 -5.4197 -5.4197 -4.5511 -4.5511 -3.1055 -3.1055 1.7933 1.7933 3.8438 3.8438 14.7890 14.7890 15.6249 15.6249 20.3605 20.3605 k = 1.0000-0.2428 0.4568 ( 750 PWs) bands (ev): -24.3281 -24.3281 -10.2053 -10.2053 -5.4017 -5.4017 -4.5777 -4.5777 -3.1125 -3.1125 1.8131 1.8131 3.8218 3.8218 14.8041 14.8041 15.6882 15.6882 20.3776 20.3776 k = 1.0000-0.2350 0.4663 ( 750 PWs) bands (ev): -24.3308 -24.3308 -10.2010 -10.2010 -5.3825 -5.3825 -4.6054 -4.6054 -3.1198 -3.1198 1.8340 1.8340 3.7990 3.7990 14.8200 14.8200 15.7535 15.7535 20.3959 20.3959 k = 0.0000 0.7200 0.8685 ( 750 PWs) bands (ev): -24.3308 -24.3308 -10.2010 -10.2010 -5.3825 -5.3825 -4.6054 -4.6054 -3.1198 -3.1198 1.8340 1.8340 3.7990 3.7990 14.8200 14.8200 15.7535 15.7535 20.3959 20.3959 k = 0.0096 0.7215 0.8607 ( 750 PWs) bands (ev): -24.3320 -24.3320 -10.1987 -10.1987 -5.3748 -5.3748 -4.6167 -4.6167 -3.1240 -3.1240 1.8439 1.8439 3.7889 3.7889 14.8237 14.8237 15.7863 15.7863 20.4003 20.4003 k = 0.0192 0.7229 0.8530 ( 750 PWs) bands (ev): -24.3332 -24.3332 -10.1953 -10.1953 -5.3677 -5.3677 -4.6274 -4.6274 -3.1305 -3.1305 1.8562 1.8562 3.7776 3.7776 14.8222 14.8222 15.8298 15.8298 20.3980 20.3980 k = 0.0288 0.7244 0.8453 ( 750 PWs) bands (ev): -24.3347 -24.3347 -10.1910 -10.1910 -5.3612 -5.3612 -4.6374 -4.6374 -3.1391 -3.1391 1.8707 1.8707 3.7651 3.7651 14.8161 14.8161 15.8831 15.8831 20.3891 20.3891 k = 0.0385 0.7259 0.8375 ( 752 PWs) bands (ev): -24.3362 -24.3362 -10.1858 -10.1858 -5.3552 -5.3552 -4.6469 -4.6469 -3.1500 -3.1500 1.8874 1.8874 3.7515 3.7515 14.8067 14.8067 15.9450 15.9450 20.3738 20.3738 k = 0.0481 0.7273 0.8298 ( 752 PWs) bands (ev): -24.3377 -24.3377 -10.1797 -10.1797 -5.3499 -5.3499 -4.6556 -4.6556 -3.1630 -3.1630 1.9063 1.9063 3.7369 3.7369 14.7950 14.7950 16.0143 16.0143 20.3522 20.3522 k = 0.0577 0.7288 0.8221 ( 750 PWs) bands (ev): -24.3394 -24.3394 -10.1727 -10.1727 -5.3450 -5.3450 -4.6637 -4.6637 -3.1780 -3.1780 1.9274 1.9274 3.7213 3.7213 14.7819 14.7819 16.0898 16.0898 20.3247 20.3247 k = 0.0673 0.7302 0.8143 ( 750 PWs) bands (ev): -24.3411 -24.3411 -10.1650 -10.1650 -5.3407 -5.3407 -4.6711 -4.6711 -3.1951 -3.1951 1.9505 1.9505 3.7048 3.7048 14.7681 14.7681 16.1705 16.1705 20.2916 20.2916 k = 0.0769 0.7317 0.8066 ( 752 PWs) bands (ev): -24.3430 -24.3430 -10.1565 -10.1565 -5.3369 -5.3369 -4.6778 -4.6778 -3.2142 -3.2142 1.9757 1.9757 3.6874 3.6874 14.7542 14.7542 16.2557 16.2557 20.2535 20.2535 k = 0.0865 0.7331 0.7988 ( 752 PWs) bands (ev): -24.3449 -24.3449 -10.1474 -10.1474 -5.3336 -5.3336 -4.6837 -4.6837 -3.2351 -3.2351 2.0028 2.0028 3.6692 3.6692 14.7407 14.7407 16.3444 16.3444 20.2106 20.2106 k = 0.0962 0.7346 0.7911 ( 756 PWs) bands (ev): -24.3469 -24.3469 -10.1376 -10.1376 -5.3306 -5.3306 -4.6888 -4.6888 -3.2578 -3.2578 2.0317 2.0317 3.6503 3.6503 14.7280 14.7280 16.4361 16.4361 20.1635 20.1635 k = 0.1058 0.7361 0.7834 ( 758 PWs) bands (ev): -24.3490 -24.3490 -10.1273 -10.1273 -5.3281 -5.3281 -4.6932 -4.6932 -3.2822 -3.2822 2.0624 2.0624 3.6306 3.6306 14.7165 14.7165 16.5301 16.5301 20.1127 20.1127 k = 0.1154 0.7375 0.7756 ( 758 PWs) bands (ev): -24.3511 -24.3511 -10.1166 -10.1166 -5.3259 -5.3259 -4.6968 -4.6968 -3.3082 -3.3082 2.0948 2.0948 3.6104 3.6104 14.7064 14.7064 16.6259 16.6259 20.0587 20.0587 k = 0.1250 0.7390 0.7679 ( 760 PWs) bands (ev): -24.3533 -24.3533 -10.1054 -10.1054 -5.3240 -5.3240 -4.6997 -4.6997 -3.3356 -3.3356 2.1288 2.1288 3.5895 3.5895 14.6980 14.6980 16.7227 16.7227 20.0017 20.0017 k = 0.1346 0.7404 0.7602 ( 759 PWs) bands (ev): -24.3556 -24.3556 -10.0938 -10.0938 -5.3224 -5.3224 -4.7018 -4.7018 -3.3644 -3.3644 2.1642 2.1642 3.5681 3.5681 14.6913 14.6913 16.8202 16.8202 19.9424 19.9424 k = 0.1442 0.7419 0.7524 ( 762 PWs) bands (ev): -24.3578 -24.3578 -10.0820 -10.0820 -5.3210 -5.3210 -4.7031 -4.7031 -3.3943 -3.3943 2.2011 2.2011 3.5461 3.5461 14.6864 14.6864 16.9178 16.9178 19.8810 19.8810 k = 0.1538 0.7434 0.7447 ( 764 PWs) bands (ev): -24.3602 -24.3602 -10.0700 -10.0700 -5.3198 -5.3198 -4.7036 -4.7036 -3.4254 -3.4254 2.2392 2.2392 3.5237 3.5237 14.6835 14.6835 17.0148 17.0148 19.8180 19.8180 k = 0.1635 0.7448 0.7370 ( 765 PWs) bands (ev): -24.3626 -24.3626 -10.0578 -10.0578 -5.3187 -5.3187 -4.7035 -4.7035 -3.4573 -3.4573 2.2785 2.2785 3.5009 3.5009 14.6826 14.6826 17.1107 17.1107 19.7537 19.7537 k = 0.1731 0.7463 0.7292 ( 765 PWs) bands (ev): -24.3650 -24.3650 -10.0456 -10.0456 -5.3177 -5.3177 -4.7027 -4.7027 -3.4899 -3.4899 2.3188 2.3188 3.4777 3.4777 14.6838 14.6838 17.2050 17.2050 19.6885 19.6885 k = 0.1827 0.7477 0.7215 ( 763 PWs) bands (ev): -24.3674 -24.3674 -10.0334 -10.0334 -5.3168 -5.3168 -4.7012 -4.7012 -3.5231 -3.5231 2.3600 2.3600 3.4541 3.4541 14.6872 14.6872 17.2970 17.2970 19.6227 19.6227 k = 0.1923 0.7492 0.7138 ( 763 PWs) bands (ev): -24.3699 -24.3699 -10.0213 -10.0213 -5.3158 -5.3158 -4.6991 -4.6991 -3.5566 -3.5566 2.4021 2.4021 3.4302 3.4302 14.6926 14.6926 17.3861 17.3861 19.5565 19.5565 k = 0.2019 0.7506 0.7060 ( 761 PWs) bands (ev): -24.3724 -24.3724 -10.0094 -10.0094 -5.3148 -5.3148 -4.6966 -4.6966 -3.5903 -3.5903 2.4448 2.4448 3.4061 3.4061 14.7002 14.7002 17.4717 17.4717 19.4903 19.4903 k = 0.2115 0.7521 0.6983 ( 763 PWs) bands (ev): -24.3749 -24.3749 -9.9977 -9.9977 -5.3138 -5.3138 -4.6936 -4.6936 -3.6240 -3.6240 2.4881 2.4881 3.3817 3.3817 14.7099 14.7099 17.5531 17.5531 19.4242 19.4242 k = 0.2212 0.7536 0.6906 ( 765 PWs) bands (ev): -24.3775 -24.3775 -9.9864 -9.9864 -5.3125 -5.3125 -4.6902 -4.6902 -3.6575 -3.6575 2.5317 2.5317 3.3571 3.3571 14.7215 14.7215 17.6296 17.6296 19.3587 19.3587 k = 0.2308 0.7550 0.6828 ( 765 PWs) bands (ev): -24.3800 -24.3800 -9.9754 -9.9754 -5.3112 -5.3112 -4.6865 -4.6865 -3.6905 -3.6905 2.5757 2.5757 3.3324 3.3324 14.7353 14.7353 17.7007 17.7007 19.2938 19.2938 k = 0.2404 0.7565 0.6751 ( 765 PWs) bands (ev): -24.3826 -24.3826 -9.9649 -9.9649 -5.3095 -5.3095 -4.6828 -4.6828 -3.7228 -3.7228 2.6199 2.6199 3.3076 3.3076 14.7511 14.7511 17.7656 17.7656 19.2298 19.2298 k = 0.2500 0.7579 0.6674 ( 765 PWs) bands (ev): -24.3851 -24.3851 -9.9550 -9.9550 -5.3077 -5.3077 -4.6790 -4.6790 -3.7542 -3.7542 2.6640 2.6640 3.2827 3.2827 14.7688 14.7688 17.8238 17.8238 19.1670 19.1670 k = 0.2596 0.7594 0.6596 ( 766 PWs) bands (ev): -24.3877 -24.3877 -9.9456 -9.9456 -5.3055 -5.3055 -4.6753 -4.6753 -3.7845 -3.7845 2.7081 2.7081 3.2578 3.2578 14.7883 14.7883 17.8748 17.8748 19.1055 19.1055 k = 0.2692 0.7608 0.6519 ( 766 PWs) bands (ev): -24.3902 -24.3902 -9.9369 -9.9369 -5.3030 -5.3030 -4.6719 -4.6719 -3.8134 -3.8134 2.7520 2.7520 3.2331 3.2331 14.8095 14.8095 17.9183 17.9183 19.0456 19.0456 k = 0.2788 0.7623 0.6442 ( 766 PWs) bands (ev): -24.3928 -24.3928 -9.9289 -9.9289 -5.3002 -5.3002 -4.6689 -4.6689 -3.8407 -3.8407 2.7955 2.7955 3.2084 3.2084 14.8324 14.8324 17.9539 17.9539 18.9874 18.9874 k = 0.2885 0.7638 0.6364 ( 764 PWs) bands (ev): -24.3953 -24.3953 -9.9217 -9.9217 -5.2969 -5.2969 -4.6666 -4.6666 -3.8661 -3.8661 2.8385 2.8385 3.1840 3.1840 14.8567 14.8567 17.9817 17.9817 18.9310 18.9310 k = 0.2981 0.7652 0.6287 ( 764 PWs) bands (ev): -24.3979 -24.3979 -9.9153 -9.9153 -5.2932 -5.2932 -4.6650 -4.6650 -3.8894 -3.8894 2.8809 2.8809 3.1598 3.1598 14.8823 14.8823 18.0016 18.0016 18.8768 18.8768 k = 0.3077 0.7667 0.6210 ( 764 PWs) bands (ev): -24.4004 -24.4004 -9.9098 -9.9098 -5.2891 -5.2890 -4.6643 -4.6643 -3.9104 -3.9104 2.9226 2.9226 3.1361 3.1361 14.9091 14.9091 18.0138 18.0138 18.8247 18.8247 k = 0.3173 0.7681 0.6132 ( 764 PWs) bands (ev): -24.4029 -24.4029 -9.9051 -9.9051 -5.2844 -5.2844 -4.6647 -4.6647 -3.9291 -3.9291 2.9632 2.9632 3.1129 3.1129 14.9367 14.9367 18.0189 18.0189 18.7750 18.7750 k = 0.3269 0.7696 0.6055 ( 766 PWs) bands (ev): -24.4054 -24.4054 -9.9014 -9.9014 -5.2792 -5.2792 -4.6662 -4.6662 -3.9451 -3.9451 3.0024 3.0024 3.0908 3.0908 14.9650 14.9650 18.0173 18.0173 18.7277 18.7277 k = 0.3365 0.7711 0.5978 ( 766 PWs) bands (ev): -24.4079 -24.4079 -9.8987 -9.8987 -5.2735 -5.2735 -4.6689 -4.6689 -3.9586 -3.9586 3.0372 3.0372 3.0726 3.0726 14.9938 14.9938 18.0097 18.0097 18.6831 18.6831 k = 0.3462 0.7725 0.5900 ( 764 PWs) bands (ev): -24.4104 -24.4104 -9.8969 -9.8969 -5.2672 -5.2672 -4.6728 -4.6728 -3.9693 -3.9693 3.0398 3.0398 3.0861 3.0861 15.0228 15.0228 17.9970 17.9970 18.6413 18.6413 k = 0.3558 0.7740 0.5823 ( 764 PWs) bands (ev): -24.4128 -24.4128 -9.8962 -9.8962 -5.2603 -5.2603 -4.6778 -4.6778 -3.9776 -3.9776 3.0212 3.0212 3.1203 3.1203 15.0516 15.0516 17.9799 17.9799 18.6023 18.6023 k = 0.3654 0.7754 0.5746 ( 762 PWs) bands (ev): -24.4153 -24.4153 -9.8964 -9.8964 -5.2528 -5.2528 -4.6839 -4.6839 -3.9834 -3.9834 3.0015 3.0015 3.1551 3.1551 15.0799 15.0799 17.9594 17.9594 18.5664 18.5664 k = 0.3750 0.7769 0.5668 ( 762 PWs) bands (ev): -24.4177 -24.4177 -9.8977 -9.8977 -5.2447 -5.2447 -4.6910 -4.6910 -3.9869 -3.9869 2.9824 2.9824 3.1888 3.1888 15.1074 15.1074 17.9365 17.9365 18.5335 18.5335 k = 0.3846 0.7783 0.5591 ( 762 PWs) bands (ev): -24.4201 -24.4201 -9.8999 -9.8999 -5.2360 -5.2360 -4.6988 -4.6988 -3.9883 -3.9883 2.9642 2.9642 3.2212 3.2212 15.1337 15.1337 17.9120 17.9120 18.5037 18.5037 k = 0.3942 0.7798 0.5514 ( 761 PWs) bands (ev): -24.4225 -24.4225 -9.9031 -9.9031 -5.2266 -5.2266 -4.7072 -4.7072 -3.9879 -3.9879 2.9469 2.9469 3.2521 3.2521 15.1583 15.1583 17.8869 17.8869 18.4772 18.4772 k = 0.4038 0.7813 0.5436 ( 761 PWs) bands (ev): -24.4249 -24.4249 -9.9073 -9.9073 -5.2165 -5.2165 -4.7160 -4.7160 -3.9859 -3.9859 2.9308 2.9308 3.2815 3.2815 15.1809 15.1809 17.8620 17.8620 18.4540 18.4540 k = 0.4135 0.7827 0.5359 ( 761 PWs) bands (ev): -24.4273 -24.4273 -9.9124 -9.9124 -5.2057 -5.2057 -4.7250 -4.7250 -3.9827 -3.9827 2.9159 2.9159 3.3092 3.3092 15.2010 15.2010 17.8382 17.8382 18.4342 18.4342 k = 0.4231 0.7842 0.5282 ( 760 PWs) bands (ev): -24.4297 -24.4297 -9.9184 -9.9184 -5.1943 -5.1943 -4.7340 -4.7340 -3.9784 -3.9784 2.9024 2.9024 3.3352 3.3352 15.2182 15.2182 17.8164 17.8164 18.4178 18.4178 k = 0.4327 0.7856 0.5204 ( 762 PWs) bands (ev): -24.4321 -24.4321 -9.9253 -9.9253 -5.1822 -5.1822 -4.7429 -4.7429 -3.9733 -3.9733 2.8902 2.8902 3.3595 3.3595 15.2320 15.2320 17.7972 17.7972 18.4047 18.4047 k = 0.4423 0.7871 0.5127 ( 762 PWs) bands (ev): -24.4345 -24.4345 -9.9329 -9.9329 -5.1694 -5.1694 -4.7515 -4.7515 -3.9677 -3.9677 2.8794 2.8794 3.3821 3.3821 15.2421 15.2421 17.7814 17.7814 18.3952 18.3952 k = 0.4519 0.7885 0.5050 ( 764 PWs) bands (ev): -24.4369 -24.4369 -9.9414 -9.9414 -5.1559 -5.1559 -4.7596 -4.7596 -3.9618 -3.9618 2.8702 2.8702 3.4029 3.4029 15.2481 15.2481 17.7694 17.7694 18.3892 18.3892 k = 0.4615 0.7900 0.4972 ( 766 PWs) bands (ev): -24.4393 -24.4393 -9.9505 -9.9505 -5.1417 -5.1417 -4.7673 -4.7673 -3.9559 -3.9559 2.8626 2.8626 3.4218 3.4218 15.2499 15.2499 17.7618 17.7618 18.3867 18.3867 k = 0.4712 0.7915 0.4895 ( 766 PWs) bands (ev): -24.4417 -24.4417 -9.9603 -9.9603 -5.1269 -5.1269 -4.7743 -4.7743 -3.9499 -3.9499 2.8565 2.8565 3.4390 3.4390 15.2472 15.2472 17.7590 17.7590 18.3878 18.3878 k = 0.4808 0.7929 0.4818 ( 762 PWs) bands (ev): -24.4441 -24.4441 -9.9706 -9.9706 -5.1113 -5.1113 -4.7808 -4.7808 -3.9442 -3.9442 2.8521 2.8521 3.4544 3.4544 15.2400 15.2400 17.7612 17.7612 18.3923 18.3923 k = 0.4904 0.7944 0.4740 ( 764 PWs) bands (ev): -24.4466 -24.4466 -9.9815 -9.9815 -5.0951 -5.0951 -4.7866 -4.7866 -3.9389 -3.9389 2.8493 2.8493 3.4680 3.4680 15.2283 15.2283 17.7684 17.7684 18.4003 18.4003 k = 0.5000 0.7958 0.4663 ( 766 PWs) bands (ev): -24.4491 -24.4491 -9.9928 -9.9928 -5.0782 -5.0782 -4.7918 -4.7918 -3.9341 -3.9341 2.8481 2.8481 3.4798 3.4798 15.2121 15.2121 17.7806 17.7806 18.4117 18.4117 k = 0.5000 0.7958 0.4663 ( 766 PWs) bands (ev): -24.4491 -24.4491 -9.9928 -9.9928 -5.0782 -5.0782 -4.7918 -4.7918 -3.9341 -3.9341 2.8481 2.8481 3.4798 3.4798 15.2121 15.2121 17.7806 17.7806 18.4117 18.4117 k = 0.5000 0.7878 0.4566 ( 766 PWs) bands (ev): -24.4554 -24.4554 -10.0218 -10.0218 -5.0348 -5.0348 -4.8032 -4.8032 -3.9225 -3.9225 2.8482 2.8482 3.5075 3.5075 15.1659 15.1659 17.8144 17.8144 18.4448 18.4448 k = 0.5000 0.7798 0.4470 ( 770 PWs) bands (ev): -24.4620 -24.4620 -10.0516 -10.0516 -4.9907 -4.9907 -4.8135 -4.8135 -3.9108 -3.9108 2.8497 2.8497 3.5354 3.5354 15.1185 15.1185 17.8419 17.8419 18.4782 18.4782 k = 0.5000 0.7718 0.4373 ( 770 PWs) bands (ev): -24.4689 -24.4689 -10.0819 -10.0819 -4.9462 -4.9462 -4.8222 -4.8222 -3.8989 -3.8989 2.8527 2.8527 3.5637 3.5637 15.0703 15.0703 17.8630 17.8630 18.5120 18.5120 k = 0.5000 0.7638 0.4276 ( 774 PWs) bands (ev): -24.4760 -24.4760 -10.1129 -10.1129 -4.9014 -4.9014 -4.8293 -4.8293 -3.8870 -3.8870 2.8572 2.8572 3.5923 3.5923 15.0212 15.0212 17.8774 17.8774 18.5460 18.5460 k = 0.5000 0.7557 0.4179 ( 770 PWs) bands (ev): -24.4834 -24.4834 -10.1445 -10.1445 -4.8589 -4.8589 -4.8322 -4.8322 -3.8749 -3.8749 2.8633 2.8633 3.6212 3.6212 14.9714 14.9714 17.8850 17.8850 18.5805 18.5805 k = 0.5000 0.7477 0.4083 ( 766 PWs) bands (ev): -24.4910 -24.4910 -10.1767 -10.1767 -4.8449 -4.8449 -4.8045 -4.8045 -3.8627 -3.8627 2.8710 2.8710 3.6503 3.6503 14.9208 14.9208 17.8857 17.8857 18.6154 18.6154 k = 0.5000 0.7397 0.3986 ( 766 PWs) bands (ev): -24.4989 -24.4989 -10.2094 -10.2094 -4.8466 -4.8466 -4.7592 -4.7592 -3.8504 -3.8504 2.8803 2.8803 3.6796 3.6796 14.8693 14.8693 17.8793 17.8793 18.6508 18.6508 k = 0.5000 0.7317 0.3889 ( 766 PWs) bands (ev): -24.5070 -24.5070 -10.2426 -10.2426 -4.8481 -4.8481 -4.7122 -4.7122 -3.8381 -3.8381 2.8913 2.8913 3.7091 3.7091 14.8171 14.8171 17.8658 17.8658 18.6868 18.6868 k = 0.5000 0.7237 0.3792 ( 766 PWs) bands (ev): -24.5154 -24.5154 -10.2762 -10.2762 -4.8482 -4.8482 -4.6646 -4.6646 -3.8258 -3.8258 2.9039 2.9039 3.7387 3.7387 14.7642 14.7642 17.8453 17.8453 18.7232 18.7232 k = 0.5000 0.7157 0.3696 ( 766 PWs) bands (ev): -24.5240 -24.5240 -10.3104 -10.3104 -4.8468 -4.8468 -4.6165 -4.6165 -3.8135 -3.8135 2.9181 2.9181 3.7685 3.7685 14.7107 14.7107 17.8178 17.8178 18.7604 18.7604 k = 0.5000 0.7076 0.3599 ( 762 PWs) bands (ev): -24.5328 -24.5328 -10.3449 -10.3449 -4.8438 -4.8438 -4.5681 -4.5681 -3.8011 -3.8011 2.9339 2.9339 3.7984 3.7984 14.6566 14.6566 17.7834 17.7834 18.7982 18.7982 k = 0.5000 0.6996 0.3502 ( 762 PWs) bands (ev): -24.5418 -24.5418 -10.3798 -10.3798 -4.8392 -4.8392 -4.5194 -4.5194 -3.7888 -3.7888 2.9514 2.9514 3.8284 3.8284 14.6019 14.6019 17.7423 17.7423 18.8367 18.8367 k = 0.5000 0.6916 0.3406 ( 762 PWs) bands (ev): -24.5511 -24.5511 -10.4151 -10.4151 -4.8331 -4.8331 -4.4705 -4.4705 -3.7765 -3.7765 2.9706 2.9706 3.8584 3.8584 14.5468 14.5468 17.6947 17.6947 18.8761 18.8761 k = 0.5000 0.6836 0.3309 ( 758 PWs) bands (ev): -24.5605 -24.5605 -10.4507 -10.4507 -4.8253 -4.8253 -4.4213 -4.4213 -3.7642 -3.7642 2.9913 2.9913 3.8884 3.8884 14.4913 14.4913 17.6407 17.6407 18.9164 18.9164 k = 0.5000 0.6756 0.3212 ( 762 PWs) bands (ev): -24.5702 -24.5702 -10.4865 -10.4865 -4.8158 -4.8158 -4.3721 -4.3721 -3.7520 -3.7520 3.0136 3.0136 3.9184 3.9184 14.4353 14.4353 17.5805 17.5805 18.9576 18.9576 k = 0.5000 0.6675 0.3115 ( 762 PWs) bands (ev): -24.5801 -24.5801 -10.5226 -10.5226 -4.8047 -4.8047 -4.3227 -4.3227 -3.7398 -3.7398 3.0376 3.0376 3.9483 3.9483 14.3790 14.3790 17.5144 17.5144 18.9998 18.9998 k = 0.5000 0.6595 0.3019 ( 758 PWs) bands (ev): -24.5902 -24.5902 -10.5588 -10.5588 -4.7920 -4.7920 -4.2733 -4.2733 -3.7277 -3.7277 3.0631 3.0631 3.9782 3.9782 14.3224 14.3224 17.4429 17.4429 19.0432 19.0432 k = 0.5000 0.6515 0.2922 ( 758 PWs) bands (ev): -24.6004 -24.6004 -10.5952 -10.5952 -4.7777 -4.7777 -4.2238 -4.2238 -3.7157 -3.7157 3.0901 3.0901 4.0081 4.0081 14.2655 14.2655 17.3660 17.3660 19.0879 19.0879 k = 0.5000 0.6435 0.2825 ( 758 PWs) bands (ev): -24.6108 -24.6108 -10.6318 -10.6318 -4.7618 -4.7618 -4.1744 -4.1744 -3.7038 -3.7038 3.1185 3.1185 4.0377 4.0377 14.2084 14.2084 17.2840 17.2840 19.1339 19.1339 k = 0.5000 0.6355 0.2729 ( 758 PWs) bands (ev): -24.6214 -24.6214 -10.6684 -10.6684 -4.7443 -4.7443 -4.1251 -4.1251 -3.6919 -3.6919 3.1485 3.1485 4.0673 4.0673 14.1512 14.1512 17.1973 17.1973 19.1812 19.1812 k = 0.5000 0.6274 0.2632 ( 758 PWs) bands (ev): -24.6321 -24.6321 -10.7050 -10.7050 -4.7252 -4.7252 -4.0759 -4.0759 -3.6802 -3.6802 3.1798 3.1798 4.0966 4.0966 14.0939 14.0939 17.1063 17.1063 19.2301 19.2301 k = 0.5000 0.6194 0.2535 ( 766 PWs) bands (ev): -24.6429 -24.6429 -10.7417 -10.7417 -4.7046 -4.7046 -4.0269 -4.0269 -3.6685 -3.6685 3.2124 3.2124 4.1258 4.1258 14.0365 14.0365 17.0111 17.0111 19.2805 19.2805 k = 0.5000 0.6114 0.2438 ( 770 PWs) bands (ev): -24.6539 -24.6539 -10.7782 -10.7782 -4.6825 -4.6825 -3.9781 -3.9781 -3.6570 -3.6570 3.2464 3.2464 4.1547 4.1547 13.9792 13.9792 16.9121 16.9121 19.3324 19.3324 k = 0.5000 0.6034 0.2342 ( 770 PWs) bands (ev): -24.6649 -24.6649 -10.8147 -10.8147 -4.6590 -4.6590 -3.9296 -3.9296 -3.6456 -3.6456 3.2816 3.2816 4.1834 4.1834 13.9219 13.9219 16.8098 16.8098 19.3862 19.3862 k = 0.5000 0.5954 0.2245 ( 770 PWs) bands (ev): -24.6760 -24.6760 -10.8511 -10.8511 -4.6341 -4.6341 -3.8814 -3.8814 -3.6343 -3.6343 3.3181 3.3181 4.2118 4.2118 13.8646 13.8646 16.7044 16.7044 19.4417 19.4417 k = 0.5000 0.5873 0.2148 ( 770 PWs) bands (ev): -24.6872 -24.6872 -10.8873 -10.8873 -4.6078 -4.6078 -3.8336 -3.8336 -3.6232 -3.6232 3.3557 3.3557 4.2399 4.2399 13.8075 13.8075 16.5962 16.5962 19.4991 19.4991 k = 0.5000 0.5793 0.2052 ( 774 PWs) bands (ev): -24.6985 -24.6985 -10.9233 -10.9233 -4.5803 -4.5803 -3.7862 -3.7862 -3.6122 -3.6122 3.3943 3.3943 4.2676 4.2676 13.7506 13.7506 16.4855 16.4855 19.5585 19.5585 k = 0.5000 0.5713 0.1955 ( 778 PWs) bands (ev): -24.7098 -24.7098 -10.9590 -10.9590 -4.5515 -4.5515 -3.7392 -3.7392 -3.6013 -3.6013 3.4340 3.4340 4.2950 4.2950 13.6939 13.6939 16.3725 16.3725 19.6197 19.6197 k = 0.5000 0.5633 0.1858 ( 782 PWs) bands (ev): -24.7211 -24.7211 -10.9945 -10.9945 -4.5216 -4.5216 -3.6927 -3.6927 -3.5904 -3.5904 3.4747 3.4747 4.3221 4.3221 13.6374 13.6374 16.2577 16.2577 19.6830 19.6830 k = 0.5000 0.5553 0.1761 ( 782 PWs) bands (ev): -24.7324 -24.7324 -11.0296 -11.0296 -4.4905 -4.4905 -3.6468 -3.6468 -3.5797 -3.5797 3.5162 3.5162 4.3487 4.3487 13.5814 13.5814 16.1414 16.1414 19.7484 19.7484 k = 0.5000 0.5473 0.1665 ( 782 PWs) bands (ev): -24.7437 -24.7437 -11.0643 -11.0643 -4.4585 -4.4585 -3.6016 -3.6016 -3.5690 -3.5690 3.5585 3.5585 4.3749 4.3749 13.5257 13.5257 16.0238 16.0238 19.8140 19.8140 k = 0.5000 0.5392 0.1568 ( 782 PWs) bands (ev): -24.7550 -24.7550 -11.0987 -11.0987 -4.4255 -4.4255 -3.5607 -3.5607 -3.5546 -3.5546 3.6016 3.6016 4.4007 4.4007 13.4705 13.4705 15.9051 15.9051 19.7759 19.7759 k = 0.5000 0.5312 0.1471 ( 786 PWs) bands (ev): -24.7663 -24.7663 -11.1326 -11.1326 -4.3918 -4.3918 -3.5486 -3.5486 -3.5123 -3.5123 3.6453 3.6453 4.4260 4.4260 13.4157 13.4157 15.7857 15.7857 19.7251 19.7251 k = 0.5000 0.5232 0.1374 ( 778 PWs) bands (ev): -24.7774 -24.7774 -11.1660 -11.1660 -4.3572 -4.3572 -3.5381 -3.5381 -3.4691 -3.4691 3.6896 3.6896 4.4509 4.4509 13.3616 13.3616 15.6659 15.6659 19.6749 19.6749 k = 0.5000 0.5152 0.1278 ( 776 PWs) bands (ev): -24.7885 -24.7885 -11.1989 -11.1989 -4.3220 -4.3220 -3.5278 -3.5278 -3.4265 -3.4265 3.7343 3.7343 4.4753 4.4753 13.3080 13.3080 15.5460 15.5460 19.6254 19.6254 k = 0.5000 0.5072 0.1181 ( 774 PWs) bands (ev): -24.7996 -24.7996 -11.2313 -11.2313 -4.2863 -4.2863 -3.5176 -3.5176 -3.3847 -3.3847 3.7794 3.7794 4.4991 4.4991 13.2550 13.2550 15.4261 15.4261 19.5766 19.5766 k = 0.5000 0.4991 0.1084 ( 774 PWs) bands (ev): -24.8105 -24.8105 -11.2630 -11.2630 -4.2502 -4.2502 -3.5074 -3.5074 -3.3437 -3.3437 3.8248 3.8248 4.5224 4.5224 13.2026 13.2026 15.3065 15.3065 19.5284 19.5284 k = 0.5000 0.4911 0.0988 ( 774 PWs) bands (ev): -24.8213 -24.8213 -11.2942 -11.2942 -4.2138 -4.2138 -3.4972 -3.4972 -3.3036 -3.3036 3.8704 3.8704 4.5451 4.5451 13.1511 13.1511 15.1875 15.1875 19.4811 19.4811 k = 0.5000 0.4831 0.0891 ( 774 PWs) bands (ev): -24.8319 -24.8319 -11.3247 -11.3247 -4.1773 -4.1773 -3.4870 -3.4870 -3.2643 -3.2643 3.9161 3.9161 4.5673 4.5673 13.1003 13.1003 15.0693 15.0693 19.4347 19.4347 k = 0.5000 0.4751 0.0794 ( 774 PWs) bands (ev): -24.8424 -24.8424 -11.3545 -11.3545 -4.1407 -4.1407 -3.4767 -3.4767 -3.2260 -3.2260 3.9617 3.9617 4.5888 4.5888 13.0503 13.0503 14.9523 14.9523 19.3891 19.3891 k = 0.5000 0.4671 0.0697 ( 774 PWs) bands (ev): -24.8527 -24.8527 -11.3836 -11.3836 -4.1042 -4.1042 -3.4664 -3.4664 -3.1887 -3.1887 4.0073 4.0073 4.6098 4.6098 13.0012 13.0012 14.8365 14.8365 19.3445 19.3445 k = 0.5000 0.4590 0.0601 ( 770 PWs) bands (ev): -24.8628 -24.8628 -11.4119 -11.4119 -4.0680 -4.0680 -3.4559 -3.4559 -3.1524 -3.1524 4.0526 4.0526 4.6303 4.6303 12.9531 12.9531 14.7223 14.7223 19.3008 19.3008 k = 0.5000 0.4510 0.0504 ( 770 PWs) bands (ev): -24.8727 -24.8727 -11.4395 -11.4395 -4.0323 -4.0323 -3.4452 -3.4452 -3.1171 -3.1171 4.0977 4.0977 4.6500 4.6500 12.9060 12.9060 14.6099 14.6099 19.2582 19.2582 k = 0.5000 0.4430 0.0407 ( 770 PWs) bands (ev): -24.8823 -24.8823 -11.4663 -11.4663 -3.9971 -3.9971 -3.4344 -3.4344 -3.0829 -3.0829 4.1423 4.1423 4.6691 4.6691 12.8600 12.8600 14.4995 14.4995 19.2167 19.2167 k = 0.5000 0.4350 0.0311 ( 770 PWs) bands (ev): -24.8918 -24.8918 -11.4922 -11.4922 -3.9626 -3.9626 -3.4232 -3.4232 -3.0498 -3.0498 4.1863 4.1863 4.6876 4.6876 12.8150 12.8150 14.3913 14.3913 19.1763 19.1763 k = 0.5000 0.4270 0.0214 ( 766 PWs) bands (ev): -24.9009 -24.9009 -11.5173 -11.5173 -3.9291 -3.9291 -3.4118 -3.4118 -3.0178 -3.0178 4.2299 4.2299 4.7053 4.7053 12.7713 12.7713 14.2856 14.2856 19.1370 19.1370 k = 0.5000 0.4189 0.0117 ( 766 PWs) bands (ev): -24.9098 -24.9098 -11.5415 -11.5415 -3.8966 -3.8966 -3.4000 -3.4000 -2.9870 -2.9870 4.2726 4.2726 4.7224 4.7224 12.7288 12.7288 14.1826 14.1826 19.0990 19.0990 k = 0.5000 0.4109 0.0020 ( 770 PWs) bands (ev): -24.9184 -24.9184 -11.5648 -11.5648 -3.8655 -3.8655 -3.3878 -3.3878 -2.9574 -2.9574 4.3143 4.3143 4.7388 4.7388 12.6876 12.6876 14.0824 14.0824 19.0622 19.0622 k = 0.5000 0.4029-0.0076 ( 770 PWs) bands (ev): -24.9268 -24.9268 -11.5872 -11.5872 -3.8357 -3.8357 -3.3751 -3.3751 -2.9290 -2.9290 4.3551 4.3551 4.7545 4.7545 12.6477 12.6477 13.9853 13.9853 19.0268 19.0268 k = 0.5000 0.3949-0.0173 ( 766 PWs) bands (ev): -24.9348 -24.9348 -11.6086 -11.6086 -3.8075 -3.8075 -3.3620 -3.3620 -2.9018 -2.9018 4.3948 4.3948 4.7695 4.7695 12.6093 12.6093 13.8915 13.8915 18.9927 18.9927 k = 0.5000 0.3869-0.0270 ( 766 PWs) bands (ev): -24.9424 -24.9424 -11.6290 -11.6290 -3.7809 -3.7809 -3.3484 -3.3484 -2.8758 -2.8758 4.4334 4.4334 4.7838 4.7838 12.5723 12.5723 13.8012 13.8012 18.9601 18.9601 k = 0.5000 0.3789-0.0367 ( 766 PWs) bands (ev): -24.9498 -24.9498 -11.6485 -11.6485 -3.7562 -3.7562 -3.3344 -3.3344 -2.8512 -2.8512 4.4706 4.4706 4.7973 4.7973 12.5369 12.5369 13.7145 13.7145 18.9289 18.9289 k = 0.5000 0.3708-0.0463 ( 770 PWs) bands (ev): -24.9567 -24.9567 -11.6669 -11.6669 -3.7332 -3.7332 -3.3200 -3.3200 -2.8278 -2.8278 4.5063 4.5063 4.8101 4.8101 12.5031 12.5031 13.6317 13.6317 18.8992 18.8992 k = 0.5000 0.3628-0.0560 ( 770 PWs) bands (ev): -24.9634 -24.9634 -11.6843 -11.6843 -3.7122 -3.7122 -3.3052 -3.3052 -2.8058 -2.8058 4.5405 4.5405 4.8222 4.8222 12.4709 12.4709 13.5530 13.5530 18.8711 18.8711 k = 0.5000 0.3548-0.0657 ( 770 PWs) bands (ev): -24.9696 -24.9696 -11.7007 -11.7007 -3.6931 -3.6931 -3.2903 -3.2903 -2.7851 -2.7851 4.5731 4.5731 4.8336 4.8336 12.4405 12.4405 13.4784 13.4784 18.8445 18.8445 k = 0.5000 0.3468-0.0753 ( 770 PWs) bands (ev): -24.9755 -24.9755 -11.7160 -11.7160 -3.6758 -3.6758 -3.2753 -3.2753 -2.7658 -2.7658 4.6040 4.6040 4.8442 4.8442 12.4119 12.4119 13.4082 13.4082 18.8196 18.8196 k = 0.5000 0.3388-0.0850 ( 770 PWs) bands (ev): -24.9809 -24.9809 -11.7302 -11.7302 -3.6602 -3.6602 -3.2604 -3.2604 -2.7478 -2.7478 4.6330 4.6330 4.8541 4.8541 12.3851 12.3851 13.3426 13.3426 18.7964 18.7964 k = 0.5000 0.3307-0.0947 ( 770 PWs) bands (ev): -24.9860 -24.9860 -11.7434 -11.7434 -3.6464 -3.6464 -3.2458 -3.2458 -2.7313 -2.7313 4.6600 4.6600 4.8632 4.8632 12.3602 12.3602 13.2816 13.2816 18.7748 18.7749 k = 0.5000 0.3227-0.1044 ( 766 PWs) bands (ev): -24.9906 -24.9906 -11.7554 -11.7554 -3.6342 -3.6342 -3.2317 -3.2317 -2.7161 -2.7161 4.6850 4.6850 4.8717 4.8717 12.3373 12.3373 13.2254 13.2254 18.7551 18.7551 k = 0.5000 0.3147-0.1140 ( 762 PWs) bands (ev): -24.9949 -24.9949 -11.7663 -11.7663 -3.6235 -3.6235 -3.2183 -3.2183 -2.7023 -2.7023 4.7080 4.7080 4.8794 4.8794 12.3164 12.3164 13.1741 13.1741 18.7371 18.7371 k = 0.5000 0.3067-0.1237 ( 752 PWs) bands (ev): -24.9986 -24.9986 -11.7761 -11.7761 -3.6142 -3.6142 -3.2057 -3.2057 -2.6899 -2.6899 4.7288 4.7288 4.8862 4.8862 12.2976 12.2976 13.1280 13.1280 18.7211 18.7211 k = 0.5000 0.2987-0.1334 ( 756 PWs) bands (ev): -25.0020 -25.0020 -11.7848 -11.7848 -3.6063 -3.6063 -3.1942 -3.1942 -2.6790 -2.6790 4.7472 4.7472 4.8923 4.8923 12.2808 12.2808 13.0869 13.0869 18.7067 18.7067 k = 0.5000 0.2906-0.1430 ( 756 PWs) bands (ev): -25.0049 -25.0049 -11.7923 -11.7923 -3.5996 -3.5996 -3.1839 -3.1839 -2.6695 -2.6695 4.7632 4.7632 4.8976 4.8976 12.2662 12.2662 13.0512 13.0512 18.6942 18.6942 k = 0.5000 0.2826-0.1527 ( 754 PWs) bands (ev): -25.0074 -25.0074 -11.7987 -11.7987 -3.5941 -3.5941 -3.1750 -3.1750 -2.6615 -2.6615 4.7770 4.7770 4.9021 4.9021 12.2538 12.2538 13.0208 13.0208 18.6836 18.6836 k = 0.5000 0.2746-0.1624 ( 756 PWs) bands (ev): -25.0095 -25.0095 -11.8039 -11.8039 -3.5897 -3.5897 -3.1675 -3.1675 -2.6549 -2.6549 4.7882 4.7882 4.9058 4.9058 12.2436 12.2436 12.9958 12.9958 18.6749 18.6749 k = 0.5000 0.2666-0.1721 ( 756 PWs) bands (ev): -25.0111 -25.0111 -11.8080 -11.8080 -3.5863 -3.5863 -3.1616 -3.1616 -2.6498 -2.6498 4.7970 4.7970 4.9087 4.9087 12.2356 12.2356 12.9763 12.9763 18.6681 18.6681 k = 0.5000 0.2586-0.1817 ( 752 PWs) bands (ev): -25.0122 -25.0122 -11.8109 -11.8109 -3.5839 -3.5839 -3.1573 -3.1573 -2.6461 -2.6461 4.8032 4.8032 4.9109 4.9109 12.2299 12.2299 12.9624 12.9624 18.6632 18.6632 k = 0.5000 0.2505-0.1914 ( 750 PWs) bands (ev): -25.0129 -25.0129 -11.8127 -11.8127 -3.5825 -3.5825 -3.1546 -3.1546 -2.6439 -2.6439 4.8070 4.8070 4.9122 4.9122 12.2265 12.2265 12.9540 12.9540 18.6603 18.6603 k = 0.5000 0.2425-0.2011 ( 750 PWs) bands (ev): -25.0131 -25.0131 -11.8133 -11.8133 -3.5820 -3.5820 -3.1538 -3.1538 -2.6431 -2.6431 4.8083 4.8083 4.9126 4.9126 12.2254 12.2254 12.9512 12.9512 18.6593 18.6593 k = 0.5000 0.2425 0.6674 ( 768 PWs) bands (ev): -24.5862 -24.5862 -10.2977 -10.2977 -5.8171 -5.8171 -4.1499 -4.1499 -2.9832 -2.9832 2.3135 2.3135 4.5954 4.5954 14.4918 14.4918 17.6985 17.6985 19.1947 19.1947 k = 0.4929 0.2391 0.6578 ( 768 PWs) bands (ev): -24.5864 -24.5864 -10.2978 -10.2978 -5.8164 -5.8164 -4.1499 -4.1499 -2.9831 -2.9831 2.3144 2.3144 4.5954 4.5954 14.4920 14.4920 17.6963 17.6963 19.1971 19.1971 k = 0.4857 0.2356 0.6483 ( 767 PWs) bands (ev): -24.5873 -24.5873 -10.2981 -10.2981 -5.8145 -5.8145 -4.1502 -4.1502 -2.9827 -2.9827 2.3172 2.3172 4.5954 4.5954 14.4928 14.4928 17.6897 17.6897 19.2044 19.2044 k = 0.4786 0.2321 0.6388 ( 769 PWs) bands (ev): -24.5887 -24.5887 -10.2985 -10.2985 -5.8113 -5.8113 -4.1507 -4.1507 -2.9821 -2.9821 2.3217 2.3217 4.5953 4.5953 14.4940 14.4940 17.6788 17.6788 19.2164 19.2164 k = 0.4714 0.2287 0.6292 ( 769 PWs) bands (ev): -24.5906 -24.5906 -10.2992 -10.2992 -5.8069 -5.8069 -4.1513 -4.1513 -2.9812 -2.9812 2.3280 2.3280 4.5953 4.5953 14.4957 14.4957 17.6637 17.6637 19.2330 19.2330 k = 0.4643 0.2252 0.6197 ( 768 PWs) bands (ev): -24.5931 -24.5931 -10.3000 -10.3000 -5.8012 -5.8012 -4.1520 -4.1520 -2.9801 -2.9801 2.3362 2.3362 4.5953 4.5953 14.4979 14.4979 17.6446 17.6446 19.2541 19.2541 k = 0.4571 0.2217 0.6102 ( 768 PWs) bands (ev): -24.5962 -24.5962 -10.3010 -10.3010 -5.7943 -5.7943 -4.1528 -4.1528 -2.9788 -2.9788 2.3461 2.3461 4.5952 4.5952 14.5006 14.5006 17.6217 17.6217 19.2795 19.2795 k = 0.4500 0.2183 0.6006 ( 769 PWs) bands (ev): -24.5997 -24.5997 -10.3021 -10.3021 -5.7864 -5.7864 -4.1537 -4.1537 -2.9772 -2.9772 2.3579 2.3579 4.5952 4.5952 14.5036 14.5036 17.5952 17.5952 19.3088 19.3088 k = 0.4429 0.2148 0.5911 ( 769 PWs) bands (ev): -24.6039 -24.6039 -10.3034 -10.3034 -5.7774 -5.7774 -4.1546 -4.1546 -2.9754 -2.9754 2.3714 2.3714 4.5951 4.5951 14.5070 14.5070 17.5653 17.5653 19.3419 19.3419 k = 0.4357 0.2113 0.5816 ( 769 PWs) bands (ev): -24.6085 -24.6085 -10.3048 -10.3048 -5.7674 -5.7674 -4.1555 -4.1555 -2.9733 -2.9733 2.3866 2.3866 4.5951 4.5951 14.5108 14.5108 17.5322 17.5322 19.3786 19.3786 k = 0.4286 0.2079 0.5720 ( 768 PWs) bands (ev): -24.6136 -24.6136 -10.3064 -10.3064 -5.7565 -5.7565 -4.1562 -4.1562 -2.9710 -2.9710 2.4037 2.4037 4.5950 4.5950 14.5149 14.5149 17.4963 17.4963 19.4185 19.4185 k = 0.4214 0.2044 0.5625 ( 768 PWs) bands (ev): -24.6193 -24.6193 -10.3081 -10.3081 -5.7448 -5.7448 -4.1568 -4.1568 -2.9685 -2.9685 2.4225 2.4225 4.5950 4.5950 14.5193 14.5193 17.4576 17.4576 19.4612 19.4612 k = 0.4143 0.2010 0.5530 ( 769 PWs) bands (ev): -24.6254 -24.6254 -10.3100 -10.3100 -5.7324 -5.7324 -4.1571 -4.1571 -2.9658 -2.9658 2.4430 2.4430 4.5950 4.5950 14.5238 14.5238 17.4163 17.4163 19.5064 19.5064 k = 0.4071 0.1975 0.5434 ( 768 PWs) bands (ev): -24.6320 -24.6320 -10.3119 -10.3119 -5.7194 -5.7194 -4.1571 -4.1571 -2.9629 -2.9629 2.4652 2.4652 4.5950 4.5950 14.5285 14.5285 17.3729 17.3729 19.5535 19.5535 k = 0.4000 0.1940 0.5339 ( 770 PWs) bands (ev): -24.6391 -24.6391 -10.3139 -10.3139 -5.7059 -5.7059 -4.1566 -4.1566 -2.9598 -2.9598 2.4891 2.4891 4.5950 4.5950 14.5333 14.5333 17.3272 17.3272 19.6020 19.6020 k = 0.3929 0.1906 0.5244 ( 770 PWs) bands (ev): -24.6465 -24.6465 -10.3160 -10.3160 -5.6921 -5.6921 -4.1556 -4.1556 -2.9565 -2.9565 2.5147 2.5147 4.5951 4.5951 14.5380 14.5380 17.2797 17.2797 19.6508 19.6508 k = 0.3857 0.1871 0.5148 ( 770 PWs) bands (ev): -24.6544 -24.6544 -10.3182 -10.3182 -5.6782 -5.6782 -4.1539 -4.1539 -2.9530 -2.9530 2.5418 2.5418 4.5952 4.5952 14.5426 14.5426 17.2305 17.2305 19.6985 19.6985 k = 0.3786 0.1836 0.5053 ( 770 PWs) bands (ev): -24.6627 -24.6627 -10.3205 -10.3205 -5.6642 -5.6642 -4.1514 -4.1514 -2.9494 -2.9494 2.5706 2.5706 4.5953 4.5953 14.5470 14.5470 17.1798 17.1798 19.7431 19.7431 k = 0.3714 0.1802 0.4958 ( 770 PWs) bands (ev): -24.6714 -24.6714 -10.3228 -10.3228 -5.6503 -5.6503 -4.1480 -4.1480 -2.9456 -2.9456 2.6009 2.6009 4.5955 4.5955 14.5510 14.5510 17.1277 17.1277 19.7817 19.7817 k = 0.3643 0.1767 0.4862 ( 770 PWs) bands (ev): -24.6805 -24.6805 -10.3251 -10.3251 -5.6368 -5.6368 -4.1435 -4.1435 -2.9415 -2.9415 2.6327 2.6327 4.5957 4.5957 14.5546 14.5546 17.0746 17.0746 19.8108 19.8108 k = 0.3571 0.1732 0.4767 ( 768 PWs) bands (ev): -24.6899 -24.6899 -10.3274 -10.3274 -5.6237 -5.6237 -4.1378 -4.1378 -2.9374 -2.9374 2.6660 2.6660 4.5960 4.5960 14.5576 14.5576 17.0206 17.0206 19.8266 19.8266 k = 0.3500 0.1698 0.4672 ( 768 PWs) bands (ev): -24.6996 -24.6996 -10.3297 -10.3297 -5.6113 -5.6113 -4.1308 -4.1308 -2.9331 -2.9331 2.7007 2.7007 4.5963 4.5963 14.5599 14.5599 16.9659 16.9659 19.8278 19.8278 k = 0.3429 0.1663 0.4576 ( 768 PWs) bands (ev): -24.7096 -24.7096 -10.3321 -10.3321 -5.5997 -5.5997 -4.1223 -4.1223 -2.9286 -2.9286 2.7368 2.7368 4.5968 4.5968 14.5613 14.5613 16.9108 16.9108 19.8153 19.8153 k = 0.3357 0.1628 0.4481 ( 769 PWs) bands (ev): -24.7199 -24.7199 -10.3344 -10.3344 -5.5891 -5.5891 -4.1122 -4.1122 -2.9241 -2.9241 2.7741 2.7741 4.5972 4.5972 14.5616 14.5616 16.8555 16.8555 19.7921 19.7921 k = 0.3286 0.1594 0.4386 ( 767 PWs) bands (ev): -24.7304 -24.7304 -10.3366 -10.3366 -5.5797 -5.5797 -4.1004 -4.1004 -2.9193 -2.9193 2.8128 2.8128 4.5979 4.5979 14.5606 14.5606 16.8002 16.8002 19.7616 19.7616 k = 0.3214 0.1559 0.4290 ( 766 PWs) bands (ev): -24.7412 -24.7412 -10.3389 -10.3389 -5.5715 -5.5715 -4.0868 -4.0868 -2.9145 -2.9145 2.8526 2.8526 4.5985 4.5985 14.5582 14.5582 16.7454 16.7454 19.7263 19.7263 k = 0.3143 0.1524 0.4195 ( 765 PWs) bands (ev): -24.7522 -24.7522 -10.3410 -10.3410 -5.5647 -5.5647 -4.0712 -4.0712 -2.9096 -2.9096 2.8935 2.8935 4.5993 4.5993 14.5540 14.5540 16.6911 16.6911 19.6882 19.6882 k = 0.3071 0.1490 0.4100 ( 768 PWs) bands (ev): -24.7634 -24.7634 -10.3431 -10.3431 -5.5594 -5.5594 -4.0537 -4.0537 -2.9045 -2.9045 2.9354 2.9354 4.6002 4.6002 14.5480 14.5480 16.6378 16.6378 19.6484 19.6484 k = 0.3000 0.1455 0.4004 ( 768 PWs) bands (ev): -24.7748 -24.7748 -10.3451 -10.3451 -5.5557 -5.5557 -4.0342 -4.0342 -2.8994 -2.8994 2.9783 2.9783 4.6012 4.6012 14.5399 14.5399 16.5857 16.5857 19.6079 19.6079 k = 0.2929 0.1421 0.3909 ( 767 PWs) bands (ev): -24.7863 -24.7863 -10.3471 -10.3471 -5.5536 -5.5536 -4.0126 -4.0126 -2.8941 -2.8941 3.0221 3.0221 4.6023 4.6023 14.5294 14.5294 16.5351 16.5351 19.5675 19.5675 k = 0.2857 0.1386 0.3814 ( 767 PWs) bands (ev): -24.7979 -24.7979 -10.3489 -10.3489 -5.5533 -5.5533 -3.9891 -3.9891 -2.8888 -2.8888 3.0667 3.0667 4.6036 4.6036 14.5164 14.5164 16.4863 16.4863 19.5274 19.5274 k = 0.2786 0.1351 0.3718 ( 768 PWs) bands (ev): -24.8095 -24.8095 -10.3506 -10.3506 -5.5546 -5.5546 -3.9635 -3.9635 -2.8834 -2.8834 3.1119 3.1119 4.6050 4.6050 14.5006 14.5006 16.4395 16.4395 19.4882 19.4882 k = 0.2714 0.1317 0.3623 ( 769 PWs) bands (ev): -24.8213 -24.8213 -10.3522 -10.3522 -5.5575 -5.5575 -3.9361 -3.9361 -2.8779 -2.8779 3.1577 3.1577 4.6066 4.6066 14.4818 14.4818 16.3951 16.3951 19.4501 19.4501 k = 0.2643 0.1282 0.3528 ( 768 PWs) bands (ev): -24.8331 -24.8331 -10.3537 -10.3537 -5.5621 -5.5621 -3.9068 -3.9068 -2.8723 -2.8723 3.2041 3.2041 4.6084 4.6084 14.4601 14.4601 16.3533 16.3533 19.4132 19.4132 k = 0.2571 0.1247 0.3432 ( 768 PWs) bands (ev): -24.8449 -24.8449 -10.3550 -10.3550 -5.5682 -5.5682 -3.8757 -3.8757 -2.8667 -2.8667 3.2508 3.2508 4.6103 4.6103 14.4351 14.4351 16.3141 16.3141 19.3778 19.3778 k = 0.2500 0.1213 0.3337 ( 769 PWs) bands (ev): -24.8567 -24.8567 -10.3562 -10.3562 -5.5759 -5.5759 -3.8431 -3.8431 -2.8610 -2.8610 3.2978 3.2978 4.6125 4.6125 14.4070 14.4070 16.2779 16.2779 19.3441 19.3441 k = 0.2429 0.1178 0.3242 ( 770 PWs) bands (ev): -24.8685 -24.8685 -10.3573 -10.3573 -5.5849 -5.5849 -3.8090 -3.8090 -2.8552 -2.8552 3.3449 3.3449 4.6149 4.6149 14.3756 14.3756 16.2446 16.2446 19.3121 19.3121 k = 0.2357 0.1143 0.3146 ( 772 PWs) bands (ev): -24.8803 -24.8803 -10.3583 -10.3583 -5.5952 -5.5952 -3.7737 -3.7737 -2.8494 -2.8494 3.3921 3.3921 4.6175 4.6175 14.3410 14.3410 16.2142 16.2142 19.2820 19.2820 k = 0.2286 0.1109 0.3051 ( 771 PWs) bands (ev): -24.8919 -24.8919 -10.3591 -10.3591 -5.6067 -5.6067 -3.7371 -3.7371 -2.8435 -2.8435 3.4392 3.4392 4.6204 4.6204 14.3035 14.3035 16.1869 16.1869 19.2538 19.2538 k = 0.2214 0.1074 0.2956 ( 769 PWs) bands (ev): -24.9034 -24.9034 -10.3597 -10.3597 -5.6193 -5.6193 -3.6996 -3.6996 -2.8375 -2.8375 3.4861 3.4861 4.6235 4.6235 14.2631 14.2631 16.1625 16.1625 19.2276 19.2276 k = 0.2143 0.1039 0.2860 ( 769 PWs) bands (ev): -24.9149 -24.9149 -10.3603 -10.3603 -5.6328 -5.6328 -3.6613 -3.6613 -2.8314 -2.8314 3.5326 3.5326 4.6270 4.6270 14.2200 14.2200 16.1407 16.1407 19.2035 19.2035 k = 0.2071 0.1005 0.2765 ( 770 PWs) bands (ev): -24.9262 -24.9262 -10.3607 -10.3607 -5.6471 -5.6471 -3.6224 -3.6224 -2.8253 -2.8253 3.5787 3.5787 4.6307 4.6307 14.1745 14.1745 16.1216 16.1216 19.1815 19.1815 k = 0.2000 0.0970 0.2669 ( 770 PWs) bands (ev): -24.9373 -24.9373 -10.3609 -10.3609 -5.6622 -5.6622 -3.5831 -3.5831 -2.8191 -2.8191 3.6241 3.6241 4.6348 4.6348 14.1270 14.1270 16.1049 16.1049 19.1617 19.1617 k = 0.1929 0.0935 0.2574 ( 769 PWs) bands (ev): -24.9482 -24.9482 -10.3610 -10.3610 -5.6779 -5.6779 -3.5436 -3.5436 -2.8127 -2.8127 3.6689 3.6689 4.6393 4.6393 14.0776 14.0776 16.0903 16.0903 19.1440 19.1440 k = 0.1857 0.0901 0.2479 ( 771 PWs) bands (ev): -24.9590 -24.9590 -10.3610 -10.3610 -5.6940 -5.6940 -3.5040 -3.5040 -2.8063 -2.8063 3.7127 3.7127 4.6442 4.6442 14.0268 14.0268 16.0778 16.0778 19.1285 19.1285 k = 0.1786 0.0866 0.2383 ( 770 PWs) bands (ev): -24.9695 -24.9695 -10.3609 -10.3609 -5.7105 -5.7105 -3.4645 -3.4645 -2.7998 -2.7998 3.7555 3.7555 4.6495 4.6495 13.9749 13.9749 16.0671 16.0671 19.1152 19.1152 k = 0.1714 0.0832 0.2288 ( 771 PWs) bands (ev): -24.9797 -24.9797 -10.3607 -10.3607 -5.7273 -5.7273 -3.4254 -3.4254 -2.7931 -2.7931 3.7972 3.7972 4.6552 4.6552 13.9222 13.9222 16.0578 16.0578 19.1040 19.1040 k = 0.1643 0.0797 0.2193 ( 771 PWs) bands (ev): -24.9897 -24.9897 -10.3603 -10.3603 -5.7442 -5.7442 -3.3868 -3.3868 -2.7862 -2.7862 3.8375 3.8375 4.6614 4.6614 13.8690 13.8690 16.0500 16.0500 19.0948 19.0948 k = 0.1571 0.0762 0.2097 ( 772 PWs) bands (ev): -24.9994 -24.9994 -10.3599 -10.3599 -5.7612 -5.7612 -3.3489 -3.3489 -2.7792 -2.7792 3.8764 3.8764 4.6681 4.6681 13.8157 13.8157 16.0433 16.0433 19.0877 19.0877 k = 0.1500 0.0728 0.2002 ( 773 PWs) bands (ev): -25.0088 -25.0088 -10.3594 -10.3594 -5.7781 -5.7781 -3.3120 -3.3120 -2.7719 -2.7719 3.9137 3.9137 4.6753 4.6753 13.7626 13.7626 16.0375 16.0375 19.0825 19.0825 k = 0.1429 0.0693 0.1907 ( 770 PWs) bands (ev): -25.0179 -25.0179 -10.3588 -10.3588 -5.7949 -5.7949 -3.2761 -3.2761 -2.7644 -2.7644 3.9494 3.9494 4.6830 4.6830 13.7100 13.7100 16.0326 16.0326 19.0792 19.0792 k = 0.1357 0.0658 0.1811 ( 770 PWs) bands (ev): -25.0267 -25.0267 -10.3581 -10.3581 -5.8114 -5.8114 -3.2415 -3.2415 -2.7566 -2.7566 3.9833 3.9833 4.6912 4.6912 13.6581 13.6581 16.0283 16.0283 19.0777 19.0777 k = 0.1286 0.0624 0.1716 ( 771 PWs) bands (ev): -25.0351 -25.0351 -10.3574 -10.3574 -5.8277 -5.8277 -3.2084 -3.2084 -2.7486 -2.7486 4.0152 4.0152 4.6999 4.6999 13.6073 13.6073 16.0246 16.0246 19.0778 19.0778 k = 0.1214 0.0589 0.1621 ( 770 PWs) bands (ev): -25.0431 -25.0431 -10.3566 -10.3566 -5.8435 -5.8435 -3.1768 -3.1768 -2.7402 -2.7402 4.0453 4.0453 4.7090 4.7090 13.5578 13.5578 16.0214 16.0214 19.0794 19.0794 k = 0.1143 0.0554 0.1525 ( 768 PWs) bands (ev): -25.0508 -25.0508 -10.3558 -10.3558 -5.8588 -5.8588 -3.1471 -3.1471 -2.7315 -2.7315 4.0733 4.0733 4.7185 4.7185 13.5099 13.5099 16.0186 16.0186 19.0825 19.0825 k = 0.1071 0.0520 0.1430 ( 767 PWs) bands (ev): -25.0580 -25.0580 -10.3549 -10.3549 -5.8736 -5.8736 -3.1192 -3.1192 -2.7225 -2.7225 4.0993 4.0993 4.7284 4.7284 13.4637 13.4637 16.0160 16.0160 19.0867 19.0867 k = 0.1000 0.0485 0.1335 ( 767 PWs) bands (ev): -25.0649 -25.0649 -10.3541 -10.3541 -5.8877 -5.8877 -3.0934 -3.0934 -2.7132 -2.7132 4.1232 4.1232 4.7385 4.7385 13.4195 13.4195 16.0137 16.0137 19.0919 19.0919 k = 0.0929 0.0450 0.1239 ( 768 PWs) bands (ev): -25.0713 -25.0713 -10.3532 -10.3532 -5.9012 -5.9012 -3.0696 -3.0696 -2.7037 -2.7037 4.1450 4.1450 4.7488 4.7488 13.3775 13.3775 16.0116 16.0116 19.0979 19.0979 k = 0.0857 0.0416 0.1144 ( 770 PWs) bands (ev): -25.0773 -25.0773 -10.3524 -10.3524 -5.9139 -5.9139 -3.0481 -3.0481 -2.6940 -2.6940 4.1647 4.1647 4.7591 4.7591 13.3379 13.3379 16.0097 16.0097 19.1047 19.1047 k = 0.0786 0.0381 0.1049 ( 771 PWs) bands (ev): -25.0829 -25.0829 -10.3516 -10.3516 -5.9258 -5.9258 -3.0286 -3.0286 -2.6841 -2.6841 4.1826 4.1826 4.7693 4.7693 13.3009 13.3009 16.0078 16.0078 19.1118 19.1118 k = 0.0714 0.0346 0.0953 ( 770 PWs) bands (ev): -25.0880 -25.0880 -10.3508 -10.3508 -5.9369 -5.9369 -3.0112 -3.0112 -2.6744 -2.6744 4.1985 4.1985 4.7792 4.7792 13.2665 13.2665 16.0061 16.0061 19.1193 19.1193 k = 0.0643 0.0312 0.0858 ( 771 PWs) bands (ev): -25.0926 -25.0926 -10.3500 -10.3500 -5.9470 -5.9470 -2.9960 -2.9960 -2.6648 -2.6648 4.2125 4.2125 4.7888 4.7888 13.2349 13.2349 16.0046 16.0046 19.1267 19.1267 k = 0.0571 0.0277 0.0763 ( 769 PWs) bands (ev): -25.0968 -25.0968 -10.3493 -10.3493 -5.9562 -5.9562 -2.9827 -2.9827 -2.6557 -2.6557 4.2248 4.2248 4.7978 4.7978 13.2064 13.2064 16.0032 16.0032 19.1341 19.1341 k = 0.0500 0.0243 0.0667 ( 768 PWs) bands (ev): -25.1005 -25.1005 -10.3487 -10.3487 -5.9644 -5.9644 -2.9713 -2.9713 -2.6471 -2.6471 4.2355 4.2355 4.8061 4.8061 13.1809 13.1809 16.0020 16.0020 19.1411 19.1411 k = 0.0429 0.0208 0.0572 ( 768 PWs) bands (ev): -25.1037 -25.1037 -10.3481 -10.3481 -5.9716 -5.9716 -2.9617 -2.9617 -2.6392 -2.6392 4.2445 4.2445 4.8137 4.8137 13.1586 13.1586 16.0009 16.0009 19.1476 19.1476 k = 0.0357 0.0173 0.0477 ( 767 PWs) bands (ev): -25.1065 -25.1065 -10.3476 -10.3476 -5.9777 -5.9777 -2.9538 -2.9538 -2.6322 -2.6322 4.2520 4.2520 4.8203 4.8203 13.1396 13.1396 16.0000 16.0000 19.1534 19.1534 k = 0.0286 0.0139 0.0381 ( 769 PWs) bands (ev): -25.1087 -25.1087 -10.3472 -10.3472 -5.9827 -5.9827 -2.9475 -2.9475 -2.6262 -2.6262 4.2580 4.2580 4.8258 4.8258 13.1240 13.1240 15.9992 15.9992 19.1584 19.1584 k = 0.0214 0.0104 0.0286 ( 768 PWs) bands (ev): -25.1105 -25.1105 -10.3469 -10.3469 -5.9867 -5.9867 -2.9426 -2.9426 -2.6215 -2.6215 4.2626 4.2626 4.8302 4.8302 13.1117 13.1117 15.9985 15.9985 19.1624 19.1624 k = 0.0143 0.0069 0.0191 ( 771 PWs) bands (ev): -25.1117 -25.1117 -10.3466 -10.3466 -5.9895 -5.9895 -2.9392 -2.9392 -2.6180 -2.6180 4.2659 4.2659 4.8334 4.8334 13.1030 13.1030 15.9980 15.9980 19.1653 19.1653 k = 0.0071 0.0035 0.0095 ( 773 PWs) bands (ev): -25.1125 -25.1125 -10.3465 -10.3465 -5.9912 -5.9912 -2.9372 -2.9372 -2.6159 -2.6159 4.2678 4.2678 4.8354 4.8354 13.0977 13.0977 15.9976 15.9976 19.1670 19.1670 k = 0.0000 0.0000 0.0000 ( 775 PWs) bands (ev): -25.1128 -25.1128 -10.3465 -10.3465 -5.9918 -5.9918 -2.9365 -2.9365 -2.6152 -2.6152 4.2685 4.2685 4.8360 4.8360 13.0959 13.0959 15.9975 15.9975 19.1676 19.1676 Writing output data file O2.save init_run : 0.02s CPU 0.22s WALL ( 1 calls) electrons : 46.18s CPU 47.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 46.17s CPU 47.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 683 calls) cegterg : 43.02s CPU 44.18s WALL ( 746 calls) Called by sum_band: Called by *egterg: h_psi : 18.36s CPU 18.88s WALL ( 12397 calls) s_psi : 0.19s CPU 0.24s WALL ( 12397 calls) g_psi : 0.05s CPU 0.04s WALL ( 10968 calls) cdiaghg : 23.22s CPU 24.00s WALL ( 11651 calls) cegterg:over : 1.18s CPU 1.24s WALL ( 10968 calls) cegterg:upda : 1.02s CPU 0.96s WALL ( 10968 calls) cegterg:last : 0.56s CPU 0.54s WALL ( 2103 calls) cdiaghg:chol : 1.18s CPU 1.29s WALL ( 11651 calls) cdiaghg:inve : 0.28s CPU 0.28s WALL ( 11651 calls) cdiaghg:para : 1.67s CPU 1.73s WALL ( 23302 calls) Called by h_psi: h_psi:vloc : 17.42s CPU 17.93s WALL ( 12397 calls) h_psi:vnl : 0.92s CPU 0.91s WALL ( 12397 calls) add_vuspsi : 0.29s CPU 0.30s WALL ( 12397 calls) General routines calbec : 0.60s CPU 0.58s WALL ( 12397 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.34s CPU 16.84s WALL ( 495720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.28s WALL ( 1366 calls) Parallel routines fft_scatter : 8.73s CPU 9.07s WALL ( 495743 calls) PWSCF : 0m55.77s CPU 1m41.34s WALL This run was terminated on: 21: 4:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=