Program PWSCF v.5.1.1 starts on 21Jul2015 at 3:44: 5 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./HCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 13 4 305 221 38 Max 17 14 5 309 234 40 Sum 797 641 201 14731 10879 1855 bravais-lattice index = 14 lattice parameter (alat) = 7.3933 a.u. unit-cell volume = 259.2355 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.393310 celldm(2)= 0.972496 celldm(3)= 0.938466 celldm(4)= 0.452782 celldm(5)= 0.498137 celldm(6)= 0.547576 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.532515 0.813742 0.000000 ) a(3) = ( 0.467485 0.201896 0.788299 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.654403 -0.425427 ) b(2) = ( 0.000000 1.228890 -0.314738 ) b(3) = ( 0.000000 0.000000 1.268555 ) PseudoPot. # 1 for H read from file: /home/autes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Cl 7.00 35.45300 Cl( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 547 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 2) = ( 0.0084746 -0.0055458 0.0071452), wk = 0.0018282 k( 3) = ( 0.0169491 -0.0110916 0.0142903), wk = 0.0018282 k( 4) = ( 0.0254237 -0.0166374 0.0214355), wk = 0.0018282 k( 5) = ( 0.0338983 -0.0221832 0.0285806), wk = 0.0018282 k( 6) = ( 0.0423729 -0.0277289 0.0357257), wk = 0.0018282 k( 7) = ( 0.0508475 -0.0332747 0.0428709), wk = 0.0018282 k( 8) = ( 0.0593220 -0.0388205 0.0500160), wk = 0.0018282 k( 9) = ( 0.0677966 -0.0443663 0.0571612), wk = 0.0018282 k( 10) = ( 0.0762712 -0.0499121 0.0643064), wk = 0.0018282 k( 11) = ( 0.0847458 -0.0554579 0.0714515), wk = 0.0018282 k( 12) = ( 0.0932203 -0.0610037 0.0785966), wk = 0.0018282 k( 13) = ( 0.1016949 -0.0665494 0.0857418), wk = 0.0018282 k( 14) = ( 0.1101695 -0.0720952 0.0928869), wk = 0.0018282 k( 15) = ( 0.1186441 -0.0776410 0.1000321), wk = 0.0018282 k( 16) = ( 0.1271186 -0.0831868 0.1071772), wk = 0.0018282 k( 17) = ( 0.1355932 -0.0887326 0.1143224), wk = 0.0018282 k( 18) = ( 0.1440678 -0.0942784 0.1214675), wk = 0.0018282 k( 19) = ( 0.1525424 -0.0998242 0.1286127), wk = 0.0018282 k( 20) = ( 0.1610169 -0.1053699 0.1357578), wk = 0.0018282 k( 21) = ( 0.1694915 -0.1109157 0.1429030), wk = 0.0018282 k( 22) = ( 0.1779661 -0.1164615 0.1500481), wk = 0.0018282 k( 23) = ( 0.1864407 -0.1220073 0.1571933), wk = 0.0018282 k( 24) = ( 0.1949153 -0.1275531 0.1643384), wk = 0.0018282 k( 25) = ( 0.2033898 -0.1330989 0.1714836), wk = 0.0018282 k( 26) = ( 0.2118644 -0.1386447 0.1786287), wk = 0.0018282 k( 27) = ( 0.2203390 -0.1441905 0.1857739), wk = 0.0018282 k( 28) = ( 0.2288136 -0.1497362 0.1929190), wk = 0.0018282 k( 29) = ( 0.2372881 -0.1552820 0.2000642), wk = 0.0018282 k( 30) = ( 0.2457627 -0.1608278 0.2072093), wk = 0.0018282 k( 31) = ( 0.2542373 -0.1663736 0.2143545), wk = 0.0018282 k( 32) = ( 0.2627119 -0.1719194 0.2214996), wk = 0.0018282 k( 33) = ( 0.2711864 -0.1774652 0.2286448), wk = 0.0018282 k( 34) = ( 0.2796610 -0.1830110 0.2357899), wk = 0.0018282 k( 35) = ( 0.2881356 -0.1885567 0.2429351), wk = 0.0018282 k( 36) = ( 0.2966102 -0.1941025 0.2500802), wk = 0.0018282 k( 37) = ( 0.3050848 -0.1996483 0.2572254), wk = 0.0018282 k( 38) = ( 0.3135593 -0.2051941 0.2643705), wk = 0.0018282 k( 39) = ( 0.3220339 -0.2107399 0.2715157), wk = 0.0018282 k( 40) = ( 0.3305085 -0.2162857 0.2786608), wk = 0.0018282 k( 41) = ( 0.3389831 -0.2218315 0.2858060), wk = 0.0018282 k( 42) = ( 0.3474576 -0.2273773 0.2929511), wk = 0.0018282 k( 43) = ( 0.3559322 -0.2329230 0.3000963), wk = 0.0018282 k( 44) = ( 0.3644068 -0.2384688 0.3072414), wk = 0.0018282 k( 45) = ( 0.3728814 -0.2440146 0.3143866), wk = 0.0018282 k( 46) = ( 0.3813559 -0.2495604 0.3215317), wk = 0.0018282 k( 47) = ( 0.3898305 -0.2551062 0.3286769), wk = 0.0018282 k( 48) = ( 0.3983051 -0.2606520 0.3358220), wk = 0.0018282 k( 49) = ( 0.4067797 -0.2661978 0.3429672), wk = 0.0018282 k( 50) = ( 0.4152542 -0.2717436 0.3501123), wk = 0.0018282 k( 51) = ( 0.4237288 -0.2772893 0.3572575), wk = 0.0018282 k( 52) = ( 0.4322034 -0.2828351 0.3644026), wk = 0.0018282 k( 53) = ( 0.4406780 -0.2883809 0.3715478), wk = 0.0018282 k( 54) = ( 0.4491525 -0.2939267 0.3786929), wk = 0.0018282 k( 55) = ( 0.4576271 -0.2994725 0.3858381), wk = 0.0018282 k( 56) = ( 0.4661017 -0.3050183 0.3929832), wk = 0.0018282 k( 57) = ( 0.4745763 -0.3105641 0.4001284), wk = 0.0018282 k( 58) = ( 0.4830508 -0.3161098 0.4072735), wk = 0.0018282 k( 59) = ( 0.4915254 -0.3216556 0.4144187), wk = 0.0018282 k( 60) = ( 0.5000000 -0.3272014 0.4215638), wk = 0.0018282 k( 61) = ( 0.5000000 -0.3272014 0.4215638), wk = 0.0018282 k( 62) = ( 0.5000000 -0.3174136 0.4291607), wk = 0.0018282 k( 63) = ( 0.5000000 -0.3076258 0.4367577), wk = 0.0018282 k( 64) = ( 0.5000000 -0.2978380 0.4443546), wk = 0.0018282 k( 65) = ( 0.5000000 -0.2880502 0.4519515), wk = 0.0018282 k( 66) = ( 0.5000000 -0.2782624 0.4595484), wk = 0.0018282 k( 67) = ( 0.5000000 -0.2684746 0.4671453), wk = 0.0018282 k( 68) = ( 0.5000000 -0.2586868 0.4747422), wk = 0.0018282 k( 69) = ( 0.5000000 -0.2488990 0.4823391), wk = 0.0018282 k( 70) = ( 0.5000000 -0.2391112 0.4899361), wk = 0.0018282 k( 71) = ( 0.5000000 -0.2293234 0.4975330), wk = 0.0018282 k( 72) = ( 0.5000000 -0.2195356 0.5051299), wk = 0.0018282 k( 73) = ( 0.5000000 -0.2097478 0.5127268), wk = 0.0018282 k( 74) = ( 0.5000000 -0.1999599 0.5203237), wk = 0.0018282 k( 75) = ( 0.5000000 -0.1901721 0.5279206), wk = 0.0018282 k( 76) = ( 0.5000000 -0.1803843 0.5355175), wk = 0.0018282 k( 77) = ( 0.5000000 -0.1705965 0.5431145), wk = 0.0018282 k( 78) = ( 0.5000000 -0.1608087 0.5507114), wk = 0.0018282 k( 79) = ( 0.5000000 -0.1510209 0.5583083), wk = 0.0018282 k( 80) = ( 0.5000000 -0.1412331 0.5659052), wk = 0.0018282 k( 81) = ( 0.5000000 -0.1314453 0.5735021), wk = 0.0018282 k( 82) = ( 0.5000000 -0.1216575 0.5810990), wk = 0.0018282 k( 83) = ( 0.5000000 -0.1118697 0.5886959), wk = 0.0018282 k( 84) = ( 0.5000000 -0.1020819 0.5962928), wk = 0.0018282 k( 85) = ( 0.5000000 -0.0922941 0.6038898), wk = 0.0018282 k( 86) = ( 0.5000000 -0.0825063 0.6114867), wk = 0.0018282 k( 87) = ( 0.5000000 -0.0727185 0.6190836), wk = 0.0018282 k( 88) = ( 0.5000000 -0.0629307 0.6266805), wk = 0.0018282 k( 89) = ( 0.5000000 -0.0531429 0.6342774), wk = 0.0018282 k( 90) = ( 0.5000000 -0.0531429 0.6342774), wk = 0.0018282 k( 91) = ( 0.4938559 -0.0424479 0.6342774), wk = 0.0018282 k( 92) = ( 0.4877117 -0.0317529 0.6342774), wk = 0.0018282 k( 93) = ( 0.4815676 -0.0210579 0.6342774), wk = 0.0018282 k( 94) = ( 0.4754235 -0.0103629 0.6342774), wk = 0.0018282 k( 95) = ( 0.4692793 0.0003321 0.6342774), wk = 0.0018282 k( 96) = ( 0.4631352 0.0110271 0.6342774), wk = 0.0018282 k( 97) = ( 0.4569911 0.0217220 0.6342774), wk = 0.0018282 k( 98) = ( 0.4508469 0.0324170 0.6342774), wk = 0.0018282 k( 99) = ( 0.4447028 0.0431120 0.6342774), wk = 0.0018282 k( 100) = ( 0.4385586 0.0538070 0.6342774), wk = 0.0018282 k( 101) = ( 0.4324145 0.0645020 0.6342774), wk = 0.0018282 k( 102) = ( 0.4262704 0.0751970 0.6342774), wk = 0.0018282 k( 103) = ( 0.4201262 0.0858920 0.6342774), wk = 0.0018282 k( 104) = ( 0.4139821 0.0965869 0.6342774), wk = 0.0018282 k( 105) = ( 0.4078380 0.1072819 0.6342774), wk = 0.0018282 k( 106) = ( 0.4016938 0.1179769 0.6342774), wk = 0.0018282 k( 107) = ( 0.3955497 0.1286719 0.6342774), wk = 0.0018282 k( 108) = ( 0.3894056 0.1393669 0.6342774), wk = 0.0018282 k( 109) = ( 0.3832614 0.1500619 0.6342774), wk = 0.0018282 k( 110) = ( 0.3771173 0.1607568 0.6342774), wk = 0.0018282 k( 111) = ( 0.3709732 0.1714518 0.6342774), wk = 0.0018282 k( 112) = ( 0.3648290 0.1821468 0.6342774), wk = 0.0018282 k( 113) = ( 0.3586849 0.1928418 0.6342774), wk = 0.0018282 k( 114) = ( 0.3525408 0.2035368 0.6342774), wk = 0.0018282 k( 115) = ( 0.3463966 0.2142318 0.6342774), wk = 0.0018282 k( 116) = ( 0.3402525 0.2249268 0.6342774), wk = 0.0018282 k( 117) = ( 0.3341084 0.2356218 0.6342774), wk = 0.0018282 k( 118) = ( 0.3279642 0.2463167 0.6342774), wk = 0.0018282 k( 119) = ( 0.3218201 0.2570117 0.6342774), wk = 0.0018282 k( 120) = ( 0.3156760 0.2677067 0.6342774), wk = 0.0018282 k( 121) = ( 0.3095318 0.2784017 0.6342774), wk = 0.0018282 k( 122) = ( 0.3033877 0.2890967 0.6342774), wk = 0.0018282 k( 123) = ( 0.2972436 0.2997917 0.6342774), wk = 0.0018282 k( 124) = ( 0.2910994 0.3104867 0.6342774), wk = 0.0018282 k( 125) = ( 0.2849553 0.3211816 0.6342774), wk = 0.0018282 k( 126) = ( 0.2788112 0.3318766 0.6342774), wk = 0.0018282 k( 127) = ( 0.2726670 0.3425716 0.6342774), wk = 0.0018282 k( 128) = ( 0.2665229 0.3532666 0.6342774), wk = 0.0018282 k( 129) = ( 0.2603787 0.3639616 0.6342774), wk = 0.0018282 k( 130) = ( 0.2542346 0.3746566 0.6342774), wk = 0.0018282 k( 131) = ( 0.2480905 0.3853515 0.6342774), wk = 0.0018282 k( 132) = ( 0.2419463 0.3960465 0.6342774), wk = 0.0018282 k( 133) = ( 0.2358022 0.4067415 0.6342774), wk = 0.0018282 k( 134) = ( 0.2296581 0.4174365 0.6342774), wk = 0.0018282 k( 135) = ( 0.2235139 0.4281315 0.6342774), wk = 0.0018282 k( 136) = ( 0.2173698 0.4388265 0.6342774), wk = 0.0018282 k( 137) = ( 0.2112257 0.4495215 0.6342774), wk = 0.0018282 k( 138) = ( 0.2050815 0.4602165 0.6342774), wk = 0.0018282 k( 139) = ( 0.1989374 0.4709114 0.6342774), wk = 0.0018282 k( 140) = ( 0.1927933 0.4816064 0.6342774), wk = 0.0018282 k( 141) = ( 0.1866491 0.4923014 0.6342774), wk = 0.0018282 k( 142) = ( 0.1866491 0.4923014 0.6342774), wk = 0.0018282 k( 143) = ( 0.1781651 0.4978534 0.6271243), wk = 0.0018282 k( 144) = ( 0.1696810 0.5034054 0.6199711), wk = 0.0018282 k( 145) = ( 0.1611970 0.5089574 0.6128180), wk = 0.0018282 k( 146) = ( 0.1527129 0.5145094 0.6056649), wk = 0.0018282 k( 147) = ( 0.1442289 0.5200613 0.5985117), wk = 0.0018282 k( 148) = ( 0.1357448 0.5256133 0.5913586), wk = 0.0018282 k( 149) = ( 0.1272608 0.5311653 0.5842054), wk = 0.0018282 k( 150) = ( 0.1187767 0.5367173 0.5770523), wk = 0.0018282 k( 151) = ( 0.1102927 0.5422693 0.5698992), wk = 0.0018282 k( 152) = ( 0.1018086 0.5478213 0.5627460), wk = 0.0018282 k( 153) = ( 0.0933246 0.5533733 0.5555929), wk = 0.0018282 k( 154) = ( 0.0848405 0.5589253 0.5484397), wk = 0.0018282 k( 155) = ( 0.0763565 0.5644772 0.5412866), wk = 0.0018282 k( 156) = ( 0.0678724 0.5700292 0.5341335), wk = 0.0018282 k( 157) = ( 0.0593884 0.5755812 0.5269803), wk = 0.0018282 k( 158) = ( 0.0509043 0.5811332 0.5198272), wk = 0.0018282 k( 159) = ( 0.0424203 0.5866852 0.5126741), wk = 0.0018282 k( 160) = ( 0.0339362 0.5922372 0.5055209), wk = 0.0018282 k( 161) = ( 0.0254521 0.5977892 0.4983678), wk = 0.0018282 k( 162) = ( 0.0169681 0.6033412 0.4912146), wk = 0.0018282 k( 163) = ( 0.0084840 0.6088931 0.4840615), wk = 0.0018282 k( 164) = ( 0.0000000 0.6144451 0.4769084), wk = 0.0018282 k( 165) = ( 0.0000000 0.6144451 0.4769084), wk = 0.0018282 k( 166) = ( 0.0000000 0.6046920 0.4693384), wk = 0.0018282 k( 167) = ( 0.0000000 0.5949389 0.4617684), wk = 0.0018282 k( 168) = ( 0.0000000 0.5851858 0.4541984), wk = 0.0018282 k( 169) = ( 0.0000000 0.5754327 0.4466285), wk = 0.0018282 k( 170) = ( 0.0000000 0.5656796 0.4390585), wk = 0.0018282 k( 171) = ( 0.0000000 0.5559265 0.4314885), wk = 0.0018282 k( 172) = ( 0.0000000 0.5461734 0.4239185), wk = 0.0018282 k( 173) = ( 0.0000000 0.5364204 0.4163486), wk = 0.0018282 k( 174) = ( 0.0000000 0.5266673 0.4087786), wk = 0.0018282 k( 175) = ( 0.0000000 0.5169142 0.4012086), wk = 0.0018282 k( 176) = ( 0.0000000 0.5071611 0.3936386), wk = 0.0018282 k( 177) = ( 0.0000000 0.4974080 0.3860687), wk = 0.0018282 k( 178) = ( 0.0000000 0.4876549 0.3784987), wk = 0.0018282 k( 179) = ( 0.0000000 0.4779018 0.3709287), wk = 0.0018282 k( 180) = ( 0.0000000 0.4681487 0.3633588), wk = 0.0018282 k( 181) = ( 0.0000000 0.4583956 0.3557888), wk = 0.0018282 k( 182) = ( 0.0000000 0.4486425 0.3482188), wk = 0.0018282 k( 183) = ( 0.0000000 0.4388894 0.3406488), wk = 0.0018282 k( 184) = ( 0.0000000 0.4291363 0.3330789), wk = 0.0018282 k( 185) = ( 0.0000000 0.4193832 0.3255089), wk = 0.0018282 k( 186) = ( 0.0000000 0.4096301 0.3179389), wk = 0.0018282 k( 187) = ( 0.0000000 0.3998770 0.3103689), wk = 0.0018282 k( 188) = ( 0.0000000 0.3901239 0.3027990), wk = 0.0018282 k( 189) = ( 0.0000000 0.3803708 0.2952290), wk = 0.0018282 k( 190) = ( 0.0000000 0.3706177 0.2876590), wk = 0.0018282 k( 191) = ( 0.0000000 0.3608646 0.2800890), wk = 0.0018282 k( 192) = ( 0.0000000 0.3511115 0.2725191), wk = 0.0018282 k( 193) = ( 0.0000000 0.3413584 0.2649491), wk = 0.0018282 k( 194) = ( 0.0000000 0.3316053 0.2573791), wk = 0.0018282 k( 195) = ( 0.0000000 0.3218522 0.2498091), wk = 0.0018282 k( 196) = ( 0.0000000 0.3120991 0.2422392), wk = 0.0018282 k( 197) = ( 0.0000000 0.3023460 0.2346692), wk = 0.0018282 k( 198) = ( 0.0000000 0.2925929 0.2270992), wk = 0.0018282 k( 199) = ( 0.0000000 0.2828398 0.2195292), wk = 0.0018282 k( 200) = ( 0.0000000 0.2730867 0.2119593), wk = 0.0018282 k( 201) = ( 0.0000000 0.2633336 0.2043893), wk = 0.0018282 k( 202) = ( 0.0000000 0.2535805 0.1968193), wk = 0.0018282 k( 203) = ( 0.0000000 0.2438274 0.1892494), wk = 0.0018282 k( 204) = ( 0.0000000 0.2340743 0.1816794), wk = 0.0018282 k( 205) = ( 0.0000000 0.2243212 0.1741094), wk = 0.0018282 k( 206) = ( 0.0000000 0.2145681 0.1665394), wk = 0.0018282 k( 207) = ( 0.0000000 0.2048150 0.1589695), wk = 0.0018282 k( 208) = ( 0.0000000 0.1950619 0.1513995), wk = 0.0018282 k( 209) = ( 0.0000000 0.1853088 0.1438295), wk = 0.0018282 k( 210) = ( 0.0000000 0.1755557 0.1362595), wk = 0.0018282 k( 211) = ( 0.0000000 0.1658026 0.1286896), wk = 0.0018282 k( 212) = ( 0.0000000 0.1560496 0.1211196), wk = 0.0018282 k( 213) = ( 0.0000000 0.1462965 0.1135496), wk = 0.0018282 k( 214) = ( 0.0000000 0.1365434 0.1059796), wk = 0.0018282 k( 215) = ( 0.0000000 0.1267903 0.0984097), wk = 0.0018282 k( 216) = ( 0.0000000 0.1170372 0.0908397), wk = 0.0018282 k( 217) = ( 0.0000000 0.1072841 0.0832697), wk = 0.0018282 k( 218) = ( 0.0000000 0.0975310 0.0756997), wk = 0.0018282 k( 219) = ( 0.0000000 0.0877779 0.0681298), wk = 0.0018282 k( 220) = ( 0.0000000 0.0780248 0.0605598), wk = 0.0018282 k( 221) = ( 0.0000000 0.0682717 0.0529898), wk = 0.0018282 k( 222) = ( 0.0000000 0.0585186 0.0454198), wk = 0.0018282 k( 223) = ( 0.0000000 0.0487655 0.0378499), wk = 0.0018282 k( 224) = ( 0.0000000 0.0390124 0.0302799), wk = 0.0018282 k( 225) = ( 0.0000000 0.0292593 0.0227099), wk = 0.0018282 k( 226) = ( 0.0000000 0.0195062 0.0151400), wk = 0.0018282 k( 227) = ( 0.0000000 0.0097531 0.0075700), wk = 0.0018282 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 230) = ( 0.0089286 0.0051294 -0.0066086), wk = 0.0018282 k( 231) = ( 0.0178571 0.0102587 -0.0132172), wk = 0.0018282 k( 232) = ( 0.0267857 0.0153881 -0.0198259), wk = 0.0018282 k( 233) = ( 0.0357143 0.0205174 -0.0264345), wk = 0.0018282 k( 234) = ( 0.0446429 0.0256468 -0.0330431), wk = 0.0018282 k( 235) = ( 0.0535714 0.0307761 -0.0396517), wk = 0.0018282 k( 236) = ( 0.0625000 0.0359055 -0.0462603), wk = 0.0018282 k( 237) = ( 0.0714286 0.0410348 -0.0528689), wk = 0.0018282 k( 238) = ( 0.0803571 0.0461642 -0.0594776), wk = 0.0018282 k( 239) = ( 0.0892857 0.0512935 -0.0660862), wk = 0.0018282 k( 240) = ( 0.0982143 0.0564229 -0.0726948), wk = 0.0018282 k( 241) = ( 0.1071429 0.0615522 -0.0793034), wk = 0.0018282 k( 242) = ( 0.1160714 0.0666816 -0.0859120), wk = 0.0018282 k( 243) = ( 0.1250000 0.0718109 -0.0925207), wk = 0.0018282 k( 244) = ( 0.1339286 0.0769403 -0.0991293), wk = 0.0018282 k( 245) = ( 0.1428571 0.0820696 -0.1057379), wk = 0.0018282 k( 246) = ( 0.1517857 0.0871990 -0.1123465), wk = 0.0018282 k( 247) = ( 0.1607143 0.0923283 -0.1189551), wk = 0.0018282 k( 248) = ( 0.1696429 0.0974577 -0.1255637), wk = 0.0018282 k( 249) = ( 0.1785714 0.1025870 -0.1321724), wk = 0.0018282 k( 250) = ( 0.1875000 0.1077164 -0.1387810), wk = 0.0018282 k( 251) = ( 0.1964286 0.1128457 -0.1453896), wk = 0.0018282 k( 252) = ( 0.2053571 0.1179751 -0.1519982), wk = 0.0018282 k( 253) = ( 0.2142857 0.1231044 -0.1586068), wk = 0.0018282 k( 254) = ( 0.2232143 0.1282338 -0.1652155), wk = 0.0018282 k( 255) = ( 0.2321429 0.1333632 -0.1718241), wk = 0.0018282 k( 256) = ( 0.2410714 0.1384925 -0.1784327), wk = 0.0018282 k( 257) = ( 0.2500000 0.1436219 -0.1850413), wk = 0.0018282 k( 258) = ( 0.2589286 0.1487512 -0.1916499), wk = 0.0018282 k( 259) = ( 0.2678571 0.1538806 -0.1982585), wk = 0.0018282 k( 260) = ( 0.2767857 0.1590099 -0.2048672), wk = 0.0018282 k( 261) = ( 0.2857143 0.1641393 -0.2114758), wk = 0.0018282 k( 262) = ( 0.2946429 0.1692686 -0.2180844), wk = 0.0018282 k( 263) = ( 0.3035714 0.1743980 -0.2246930), wk = 0.0018282 k( 264) = ( 0.3125000 0.1795273 -0.2313016), wk = 0.0018282 k( 265) = ( 0.3214286 0.1846567 -0.2379103), wk = 0.0018282 k( 266) = ( 0.3303571 0.1897860 -0.2445189), wk = 0.0018282 k( 267) = ( 0.3392857 0.1949154 -0.2511275), wk = 0.0018282 k( 268) = ( 0.3482143 0.2000447 -0.2577361), wk = 0.0018282 k( 269) = ( 0.3571429 0.2051741 -0.2643447), wk = 0.0018282 k( 270) = ( 0.3660714 0.2103034 -0.2709534), wk = 0.0018282 k( 271) = ( 0.3750000 0.2154328 -0.2775620), wk = 0.0018282 k( 272) = ( 0.3839286 0.2205621 -0.2841706), wk = 0.0018282 k( 273) = ( 0.3928571 0.2256915 -0.2907792), wk = 0.0018282 k( 274) = ( 0.4017857 0.2308208 -0.2973878), wk = 0.0018282 k( 275) = ( 0.4107143 0.2359502 -0.3039964), wk = 0.0018282 k( 276) = ( 0.4196429 0.2410795 -0.3106051), wk = 0.0018282 k( 277) = ( 0.4285714 0.2462089 -0.3172137), wk = 0.0018282 k( 278) = ( 0.4375000 0.2513382 -0.3238223), wk = 0.0018282 k( 279) = ( 0.4464286 0.2564676 -0.3304309), wk = 0.0018282 k( 280) = ( 0.4553571 0.2615969 -0.3370395), wk = 0.0018282 k( 281) = ( 0.4642857 0.2667263 -0.3436481), wk = 0.0018282 k( 282) = ( 0.4732143 0.2718557 -0.3502568), wk = 0.0018282 k( 283) = ( 0.4821429 0.2769850 -0.3568654), wk = 0.0018282 k( 284) = ( 0.4910714 0.2821144 -0.3634740), wk = 0.0018282 k( 285) = ( 0.5000000 0.2872437 -0.3700826), wk = 0.0018282 k( 286) = ( 0.5000000 0.2872437 -0.3700826), wk = 0.0018282 k( 287) = ( 0.5084689 0.2817016 -0.3629422), wk = 0.0018282 k( 288) = ( 0.5169379 0.2761595 -0.3558018), wk = 0.0018282 k( 289) = ( 0.5254068 0.2706174 -0.3486614), wk = 0.0018282 k( 290) = ( 0.5338758 0.2650753 -0.3415210), wk = 0.0018282 k( 291) = ( 0.5423447 0.2595332 -0.3343806), wk = 0.0018282 k( 292) = ( 0.5508137 0.2539911 -0.3272402), wk = 0.0018282 k( 293) = ( 0.5592826 0.2484490 -0.3200998), wk = 0.0018282 k( 294) = ( 0.5677515 0.2429069 -0.3129594), wk = 0.0018282 k( 295) = ( 0.5762205 0.2373648 -0.3058190), wk = 0.0018282 k( 296) = ( 0.5846894 0.2318227 -0.2986786), wk = 0.0018282 k( 297) = ( 0.5931584 0.2262806 -0.2915382), wk = 0.0018282 k( 298) = ( 0.6016273 0.2207385 -0.2843978), wk = 0.0018282 k( 299) = ( 0.6100963 0.2151964 -0.2772574), wk = 0.0018282 k( 300) = ( 0.6185652 0.2096543 -0.2701170), wk = 0.0018282 k( 301) = ( 0.6270341 0.2041122 -0.2629766), wk = 0.0018282 k( 302) = ( 0.6355031 0.1985701 -0.2558362), wk = 0.0018282 k( 303) = ( 0.6439720 0.1930280 -0.2486958), wk = 0.0018282 k( 304) = ( 0.6524410 0.1874859 -0.2415554), wk = 0.0018282 k( 305) = ( 0.6609099 0.1819438 -0.2344150), wk = 0.0018282 k( 306) = ( 0.6693788 0.1764017 -0.2272746), wk = 0.0018282 k( 307) = ( 0.6778478 0.1708596 -0.2201342), wk = 0.0018282 k( 308) = ( 0.6863167 0.1653175 -0.2129938), wk = 0.0018282 k( 309) = ( 0.6947857 0.1597754 -0.2058534), wk = 0.0018282 k( 310) = ( 0.7032546 0.1542333 -0.1987130), wk = 0.0018282 k( 311) = ( 0.7117236 0.1486912 -0.1915726), wk = 0.0018282 k( 312) = ( 0.7201925 0.1431491 -0.1844322), wk = 0.0018282 k( 313) = ( 0.7286615 0.1376070 -0.1772918), wk = 0.0018282 k( 314) = ( 0.7371304 0.1320649 -0.1701514), wk = 0.0018282 k( 315) = ( 0.7455993 0.1265228 -0.1630110), wk = 0.0018282 k( 316) = ( 0.7540683 0.1209807 -0.1558706), wk = 0.0018282 k( 317) = ( 0.7625372 0.1154386 -0.1487302), wk = 0.0018282 k( 318) = ( 0.7710062 0.1098965 -0.1415898), wk = 0.0018282 k( 319) = ( 0.7794751 0.1043544 -0.1344494), wk = 0.0018282 k( 320) = ( 0.7879440 0.0988123 -0.1273090), wk = 0.0018282 k( 321) = ( 0.7964130 0.0932702 -0.1201686), wk = 0.0018282 k( 322) = ( 0.8048819 0.0877281 -0.1130282), wk = 0.0018282 k( 323) = ( 0.8133509 0.0821860 -0.1058878), wk = 0.0018282 k( 324) = ( 0.8133509 0.0821860 -0.1058878), wk = 0.0018282 k( 325) = ( 0.8125641 0.0747834 -0.0963503), wk = 0.0018282 k( 326) = ( 0.8117773 0.0673807 -0.0868128), wk = 0.0018282 k( 327) = ( 0.8109905 0.0599781 -0.0772753), wk = 0.0018282 k( 328) = ( 0.8102037 0.0525754 -0.0677378), wk = 0.0018282 k( 329) = ( 0.8094169 0.0451728 -0.0582002), wk = 0.0018282 k( 330) = ( 0.8086301 0.0377701 -0.0486627), wk = 0.0018282 k( 331) = ( 0.8078433 0.0303675 -0.0391252), wk = 0.0018282 k( 332) = ( 0.8070565 0.0229648 -0.0295877), wk = 0.0018282 k( 333) = ( 0.8062697 0.0155622 -0.0200502), wk = 0.0018282 k( 334) = ( 0.8054829 0.0081595 -0.0105127), wk = 0.0018282 k( 335) = ( 0.8046961 0.0007569 -0.0009751), wk = 0.0018282 k( 336) = ( 0.8039093 -0.0066458 0.0085624), wk = 0.0018282 k( 337) = ( 0.8031225 -0.0140484 0.0180999), wk = 0.0018282 k( 338) = ( 0.8023357 -0.0214511 0.0276374), wk = 0.0018282 k( 339) = ( 0.8015489 -0.0288537 0.0371749), wk = 0.0018282 k( 340) = ( 0.8007621 -0.0362564 0.0467125), wk = 0.0018282 k( 341) = ( 0.7999753 -0.0436590 0.0562500), wk = 0.0018282 k( 342) = ( 0.7991885 -0.0510617 0.0657875), wk = 0.0018282 k( 343) = ( 0.7984018 -0.0584643 0.0753250), wk = 0.0018282 k( 344) = ( 0.7976150 -0.0658670 0.0848625), wk = 0.0018282 k( 345) = ( 0.7968282 -0.0732696 0.0944000), wk = 0.0018282 k( 346) = ( 0.7960414 -0.0806723 0.1039376), wk = 0.0018282 k( 347) = ( 0.7952546 -0.0880749 0.1134751), wk = 0.0018282 k( 348) = ( 0.7944678 -0.0954776 0.1230126), wk = 0.0018282 k( 349) = ( 0.7936810 -0.1028802 0.1325501), wk = 0.0018282 k( 350) = ( 0.7928942 -0.1102829 0.1420876), wk = 0.0018282 k( 351) = ( 0.7921074 -0.1176855 0.1516251), wk = 0.0018282 k( 352) = ( 0.7913206 -0.1250882 0.1611627), wk = 0.0018282 k( 353) = ( 0.7905338 -0.1324908 0.1707002), wk = 0.0018282 k( 354) = ( 0.7897470 -0.1398935 0.1802377), wk = 0.0018282 k( 355) = ( 0.7889602 -0.1472961 0.1897752), wk = 0.0018282 k( 356) = ( 0.7881734 -0.1546988 0.1993127), wk = 0.0018282 k( 357) = ( 0.7873866 -0.1621014 0.2088503), wk = 0.0018282 k( 358) = ( 0.7873866 -0.1621014 0.2088503), wk = 0.0018282 k( 359) = ( 0.7807032 -0.1595675 0.2187439), wk = 0.0018282 k( 360) = ( 0.7740198 -0.1570336 0.2286376), wk = 0.0018282 k( 361) = ( 0.7673364 -0.1544997 0.2385312), wk = 0.0018282 k( 362) = ( 0.7606530 -0.1519657 0.2484249), wk = 0.0018282 k( 363) = ( 0.7539696 -0.1494318 0.2583185), wk = 0.0018282 k( 364) = ( 0.7472861 -0.1468979 0.2682122), wk = 0.0018282 k( 365) = ( 0.7406027 -0.1443640 0.2781058), wk = 0.0018282 k( 366) = ( 0.7339193 -0.1418301 0.2879995), wk = 0.0018282 k( 367) = ( 0.7272359 -0.1392961 0.2978932), wk = 0.0018282 k( 368) = ( 0.7205525 -0.1367622 0.3077868), wk = 0.0018282 k( 369) = ( 0.7138691 -0.1342283 0.3176805), wk = 0.0018282 k( 370) = ( 0.7071857 -0.1316944 0.3275741), wk = 0.0018282 k( 371) = ( 0.7005023 -0.1291605 0.3374678), wk = 0.0018282 k( 372) = ( 0.6938189 -0.1266265 0.3473614), wk = 0.0018282 k( 373) = ( 0.6871355 -0.1240926 0.3572551), wk = 0.0018282 k( 374) = ( 0.6804520 -0.1215587 0.3671487), wk = 0.0018282 k( 375) = ( 0.6737686 -0.1190248 0.3770424), wk = 0.0018282 k( 376) = ( 0.6670852 -0.1164909 0.3869360), wk = 0.0018282 k( 377) = ( 0.6604018 -0.1139569 0.3968297), wk = 0.0018282 k( 378) = ( 0.6537184 -0.1114230 0.4067234), wk = 0.0018282 k( 379) = ( 0.6470350 -0.1088891 0.4166170), wk = 0.0018282 k( 380) = ( 0.6403516 -0.1063552 0.4265107), wk = 0.0018282 k( 381) = ( 0.6336682 -0.1038213 0.4364043), wk = 0.0018282 k( 382) = ( 0.6269848 -0.1012873 0.4462980), wk = 0.0018282 k( 383) = ( 0.6203014 -0.0987534 0.4561916), wk = 0.0018282 k( 384) = ( 0.6136180 -0.0962195 0.4660853), wk = 0.0018282 k( 385) = ( 0.6069345 -0.0936856 0.4759789), wk = 0.0018282 k( 386) = ( 0.6002511 -0.0911517 0.4858726), wk = 0.0018282 k( 387) = ( 0.5935677 -0.0886177 0.4957662), wk = 0.0018282 k( 388) = ( 0.5868843 -0.0860838 0.5056599), wk = 0.0018282 k( 389) = ( 0.5802009 -0.0835499 0.5155536), wk = 0.0018282 k( 390) = ( 0.5735175 -0.0810160 0.5254472), wk = 0.0018282 k( 391) = ( 0.5668341 -0.0784821 0.5353409), wk = 0.0018282 k( 392) = ( 0.5601507 -0.0759481 0.5452345), wk = 0.0018282 k( 393) = ( 0.5534673 -0.0734142 0.5551282), wk = 0.0018282 k( 394) = ( 0.5467839 -0.0708803 0.5650218), wk = 0.0018282 k( 395) = ( 0.5401005 -0.0683464 0.5749155), wk = 0.0018282 k( 396) = ( 0.5334170 -0.0658125 0.5848091), wk = 0.0018282 k( 397) = ( 0.5267336 -0.0632785 0.5947028), wk = 0.0018282 k( 398) = ( 0.5200502 -0.0607446 0.6045964), wk = 0.0018282 k( 399) = ( 0.5133668 -0.0582107 0.6144901), wk = 0.0018282 k( 400) = ( 0.5066834 -0.0556768 0.6243838), wk = 0.0018282 k( 401) = ( 0.5000000 -0.0531429 0.6342774), wk = 0.0018282 k( 402) = ( 0.5000000 0.6276303 -0.1058878), wk = 0.0018282 k( 403) = ( 0.5000000 0.6179049 -0.1134363), wk = 0.0018282 k( 404) = ( 0.5000000 0.6081796 -0.1209847), wk = 0.0018282 k( 405) = ( 0.5000000 0.5984543 -0.1285331), wk = 0.0018282 k( 406) = ( 0.5000000 0.5887290 -0.1360815), wk = 0.0018282 k( 407) = ( 0.5000000 0.5790036 -0.1436299), wk = 0.0018282 k( 408) = ( 0.5000000 0.5692783 -0.1511784), wk = 0.0018282 k( 409) = ( 0.5000000 0.5595530 -0.1587268), wk = 0.0018282 k( 410) = ( 0.5000000 0.5498276 -0.1662752), wk = 0.0018282 k( 411) = ( 0.5000000 0.5401023 -0.1738236), wk = 0.0018282 k( 412) = ( 0.5000000 0.5303770 -0.1813721), wk = 0.0018282 k( 413) = ( 0.5000000 0.5206516 -0.1889205), wk = 0.0018282 k( 414) = ( 0.5000000 0.5109263 -0.1964689), wk = 0.0018282 k( 415) = ( 0.5000000 0.5012010 -0.2040173), wk = 0.0018282 k( 416) = ( 0.5000000 0.4914756 -0.2115658), wk = 0.0018282 k( 417) = ( 0.5000000 0.4817503 -0.2191142), wk = 0.0018282 k( 418) = ( 0.5000000 0.4720250 -0.2266626), wk = 0.0018282 k( 419) = ( 0.5000000 0.4622997 -0.2342110), wk = 0.0018282 k( 420) = ( 0.5000000 0.4525743 -0.2417594), wk = 0.0018282 k( 421) = ( 0.5000000 0.4428490 -0.2493079), wk = 0.0018282 k( 422) = ( 0.5000000 0.4331237 -0.2568563), wk = 0.0018282 k( 423) = ( 0.5000000 0.4233983 -0.2644047), wk = 0.0018282 k( 424) = ( 0.5000000 0.4136730 -0.2719531), wk = 0.0018282 k( 425) = ( 0.5000000 0.4039477 -0.2795016), wk = 0.0018282 k( 426) = ( 0.5000000 0.3942223 -0.2870500), wk = 0.0018282 k( 427) = ( 0.5000000 0.3844970 -0.2945984), wk = 0.0018282 k( 428) = ( 0.5000000 0.3747717 -0.3021468), wk = 0.0018282 k( 429) = ( 0.5000000 0.3650464 -0.3096952), wk = 0.0018282 k( 430) = ( 0.5000000 0.3553210 -0.3172437), wk = 0.0018282 k( 431) = ( 0.5000000 0.3455957 -0.3247921), wk = 0.0018282 k( 432) = ( 0.5000000 0.3358704 -0.3323405), wk = 0.0018282 k( 433) = ( 0.5000000 0.3261450 -0.3398889), wk = 0.0018282 k( 434) = ( 0.5000000 0.3164197 -0.3474374), wk = 0.0018282 k( 435) = ( 0.5000000 0.3066944 -0.3549858), wk = 0.0018282 k( 436) = ( 0.5000000 0.2969690 -0.3625342), wk = 0.0018282 k( 437) = ( 0.5000000 0.2872437 -0.3700826), wk = 0.0018282 k( 438) = ( 0.0000000 0.6144451 0.4769084), wk = 0.0018282 k( 439) = ( 0.0088589 0.6195345 0.4703513), wk = 0.0018282 k( 440) = ( 0.0177178 0.6246238 0.4637943), wk = 0.0018282 k( 441) = ( 0.0265767 0.6297131 0.4572372), wk = 0.0018282 k( 442) = ( 0.0354356 0.6348024 0.4506802), wk = 0.0018282 k( 443) = ( 0.0442945 0.6398917 0.4441231), wk = 0.0018282 k( 444) = ( 0.0531534 0.6449811 0.4375661), wk = 0.0018282 k( 445) = ( 0.0620122 0.6500704 0.4310091), wk = 0.0018282 k( 446) = ( 0.0708711 0.6551597 0.4244520), wk = 0.0018282 k( 447) = ( 0.0797300 0.6602490 0.4178950), wk = 0.0018282 k( 448) = ( 0.0885889 0.6653383 0.4113379), wk = 0.0018282 k( 449) = ( 0.0974478 0.6704277 0.4047809), wk = 0.0018282 k( 450) = ( 0.1063067 0.6755170 0.3982238), wk = 0.0018282 k( 451) = ( 0.1151656 0.6806063 0.3916668), wk = 0.0018282 k( 452) = ( 0.1240245 0.6856956 0.3851098), wk = 0.0018282 k( 453) = ( 0.1328834 0.6907850 0.3785527), wk = 0.0018282 k( 454) = ( 0.1417423 0.6958743 0.3719957), wk = 0.0018282 k( 455) = ( 0.1506012 0.7009636 0.3654386), wk = 0.0018282 k( 456) = ( 0.1594600 0.7060529 0.3588816), wk = 0.0018282 k( 457) = ( 0.1683189 0.7111422 0.3523245), wk = 0.0018282 k( 458) = ( 0.1771778 0.7162316 0.3457675), wk = 0.0018282 k( 459) = ( 0.1860367 0.7213209 0.3392105), wk = 0.0018282 k( 460) = ( 0.1948956 0.7264102 0.3326534), wk = 0.0018282 k( 461) = ( 0.2037545 0.7314995 0.3260964), wk = 0.0018282 k( 462) = ( 0.2126134 0.7365889 0.3195393), wk = 0.0018282 k( 463) = ( 0.7873866 -0.1621014 0.2088503), wk = 0.0018282 k( 464) = ( 0.7784058 -0.1672608 0.2154976), wk = 0.0018282 k( 465) = ( 0.7694249 -0.1724202 0.2221449), wk = 0.0018282 k( 466) = ( 0.7604441 -0.1775796 0.2287922), wk = 0.0018282 k( 467) = ( 0.7514633 -0.1827389 0.2354395), wk = 0.0018282 k( 468) = ( 0.7424825 -0.1878983 0.2420868), wk = 0.0018282 k( 469) = ( 0.7335016 -0.1930577 0.2487341), wk = 0.0018282 k( 470) = ( 0.7245208 -0.1982171 0.2553814), wk = 0.0018282 k( 471) = ( 0.7155400 -0.2033764 0.2620287), wk = 0.0018282 k( 472) = ( 0.7065591 -0.2085358 0.2686760), wk = 0.0018282 k( 473) = ( 0.6975783 -0.2136952 0.2753233), wk = 0.0018282 k( 474) = ( 0.6885975 -0.2188546 0.2819705), wk = 0.0018282 k( 475) = ( 0.6796166 -0.2240139 0.2886178), wk = 0.0018282 k( 476) = ( 0.6706358 -0.2291733 0.2952651), wk = 0.0018282 k( 477) = ( 0.6616550 -0.2343327 0.3019125), wk = 0.0018282 k( 478) = ( 0.6526741 -0.2394921 0.3085597), wk = 0.0018282 k( 479) = ( 0.6436933 -0.2446514 0.3152070), wk = 0.0018282 k( 480) = ( 0.6347125 -0.2498108 0.3218543), wk = 0.0018282 k( 481) = ( 0.6257316 -0.2549702 0.3285016), wk = 0.0018282 k( 482) = ( 0.6167508 -0.2601295 0.3351489), wk = 0.0018282 k( 483) = ( 0.6077700 -0.2652889 0.3417962), wk = 0.0018282 k( 484) = ( 0.5987891 -0.2704483 0.3484435), wk = 0.0018282 k( 485) = ( 0.5898083 -0.2756077 0.3550908), wk = 0.0018282 k( 486) = ( 0.5808275 -0.2807670 0.3617381), wk = 0.0018282 k( 487) = ( 0.5718467 -0.2859264 0.3683854), wk = 0.0018282 k( 488) = ( 0.5628658 -0.2910858 0.3750327), wk = 0.0018282 k( 489) = ( 0.5538850 -0.2962452 0.3816800), wk = 0.0018282 k( 490) = ( 0.5449042 -0.3014045 0.3883273), wk = 0.0018282 k( 491) = ( 0.5359233 -0.3065639 0.3949746), wk = 0.0018282 k( 492) = ( 0.5269425 -0.3117233 0.4016219), wk = 0.0018282 k( 493) = ( 0.5179617 -0.3168827 0.4082692), wk = 0.0018282 k( 494) = ( 0.5089808 -0.3220420 0.4149165), wk = 0.0018282 k( 495) = ( 0.5000000 -0.3272014 0.4215638), wk = 0.0018282 k( 496) = ( 0.5000000 0.2872437 0.2641948), wk = 0.0018282 k( 497) = ( 0.4901961 0.2816115 0.2590145), wk = 0.0018282 k( 498) = ( 0.4803922 0.2759793 0.2538342), wk = 0.0018282 k( 499) = ( 0.4705882 0.2703470 0.2486539), wk = 0.0018282 k( 500) = ( 0.4607843 0.2647148 0.2434736), wk = 0.0018282 k( 501) = ( 0.4509804 0.2590826 0.2382933), wk = 0.0018282 k( 502) = ( 0.4411765 0.2534503 0.2331130), wk = 0.0018282 k( 503) = ( 0.4313726 0.2478181 0.2279328), wk = 0.0018282 k( 504) = ( 0.4215686 0.2421859 0.2227525), wk = 0.0018282 k( 505) = ( 0.4117647 0.2365536 0.2175722), wk = 0.0018282 k( 506) = ( 0.4019608 0.2309214 0.2123919), wk = 0.0018282 k( 507) = ( 0.3921569 0.2252892 0.2072116), wk = 0.0018282 k( 508) = ( 0.3823529 0.2196570 0.2020313), wk = 0.0018282 k( 509) = ( 0.3725490 0.2140247 0.1968510), wk = 0.0018282 k( 510) = ( 0.3627451 0.2083925 0.1916707), wk = 0.0018282 k( 511) = ( 0.3529412 0.2027603 0.1864904), wk = 0.0018282 k( 512) = ( 0.3431373 0.1971280 0.1813101), wk = 0.0018282 k( 513) = ( 0.3333333 0.1914958 0.1761299), wk = 0.0018282 k( 514) = ( 0.3235294 0.1858636 0.1709496), wk = 0.0018282 k( 515) = ( 0.3137255 0.1802313 0.1657693), wk = 0.0018282 k( 516) = ( 0.3039216 0.1745991 0.1605890), wk = 0.0018282 k( 517) = ( 0.2941177 0.1689669 0.1554087), wk = 0.0018282 k( 518) = ( 0.2843137 0.1633347 0.1502284), wk = 0.0018282 k( 519) = ( 0.2745098 0.1577024 0.1450481), wk = 0.0018282 k( 520) = ( 0.2647059 0.1520702 0.1398678), wk = 0.0018282 k( 521) = ( 0.2549020 0.1464380 0.1346875), wk = 0.0018282 k( 522) = ( 0.2450980 0.1408057 0.1295072), wk = 0.0018282 k( 523) = ( 0.2352941 0.1351735 0.1243270), wk = 0.0018282 k( 524) = ( 0.2254902 0.1295413 0.1191467), wk = 0.0018282 k( 525) = ( 0.2156863 0.1239090 0.1139664), wk = 0.0018282 k( 526) = ( 0.2058823 0.1182768 0.1087861), wk = 0.0018282 k( 527) = ( 0.1960784 0.1126446 0.1036058), wk = 0.0018282 k( 528) = ( 0.1862745 0.1070124 0.0984255), wk = 0.0018282 k( 529) = ( 0.1764706 0.1013801 0.0932452), wk = 0.0018282 k( 530) = ( 0.1666667 0.0957479 0.0880649), wk = 0.0018282 k( 531) = ( 0.1568627 0.0901157 0.0828846), wk = 0.0018282 k( 532) = ( 0.1470588 0.0844834 0.0777043), wk = 0.0018282 k( 533) = ( 0.1372549 0.0788512 0.0725241), wk = 0.0018282 k( 534) = ( 0.1274510 0.0732190 0.0673438), wk = 0.0018282 k( 535) = ( 0.1176471 0.0675868 0.0621635), wk = 0.0018282 k( 536) = ( 0.1078431 0.0619545 0.0569832), wk = 0.0018282 k( 537) = ( 0.0980392 0.0563223 0.0518029), wk = 0.0018282 k( 538) = ( 0.0882353 0.0506901 0.0466226), wk = 0.0018282 k( 539) = ( 0.0784314 0.0450578 0.0414423), wk = 0.0018282 k( 540) = ( 0.0686275 0.0394256 0.0362620), wk = 0.0018282 k( 541) = ( 0.0588235 0.0337934 0.0310817), wk = 0.0018282 k( 542) = ( 0.0490196 0.0281611 0.0259015), wk = 0.0018282 k( 543) = ( 0.0392157 0.0225289 0.0207212), wk = 0.0018282 k( 544) = ( 0.0294118 0.0168967 0.0155409), wk = 0.0018282 k( 545) = ( 0.0196078 0.0112645 0.0103606), wk = 0.0018282 k( 546) = ( 0.0098039 0.0056322 0.0051803), wk = 0.0018282 k( 547) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 2) = ( 0.0084746 0.0000000 0.0084746), wk = 0.0018282 k( 3) = ( 0.0169491 0.0000000 0.0169491), wk = 0.0018282 k( 4) = ( 0.0254237 -0.0000000 0.0254237), wk = 0.0018282 k( 5) = ( 0.0338983 0.0000000 0.0338983), wk = 0.0018282 k( 6) = ( 0.0423729 0.0000000 0.0423729), wk = 0.0018282 k( 7) = ( 0.0508475 -0.0000000 0.0508475), wk = 0.0018282 k( 8) = ( 0.0593220 0.0000000 0.0593220), wk = 0.0018282 k( 9) = ( 0.0677966 0.0000000 0.0677966), wk = 0.0018282 k( 10) = ( 0.0762712 0.0000000 0.0762712), wk = 0.0018282 k( 11) = ( 0.0847458 0.0000000 0.0847458), wk = 0.0018282 k( 12) = ( 0.0932203 0.0000000 0.0932203), wk = 0.0018282 k( 13) = ( 0.1016949 -0.0000000 0.1016949), wk = 0.0018282 k( 14) = ( 0.1101695 0.0000000 0.1101695), wk = 0.0018282 k( 15) = ( 0.1186441 0.0000000 0.1186441), wk = 0.0018282 k( 16) = ( 0.1271186 0.0000000 0.1271186), wk = 0.0018282 k( 17) = ( 0.1355932 0.0000000 0.1355932), wk = 0.0018282 k( 18) = ( 0.1440678 0.0000000 0.1440678), wk = 0.0018282 k( 19) = ( 0.1525424 0.0000000 0.1525424), wk = 0.0018282 k( 20) = ( 0.1610169 0.0000000 0.1610169), wk = 0.0018282 k( 21) = ( 0.1694915 0.0000000 0.1694915), wk = 0.0018282 k( 22) = ( 0.1779661 0.0000000 0.1779661), wk = 0.0018282 k( 23) = ( 0.1864407 0.0000000 0.1864407), wk = 0.0018282 k( 24) = ( 0.1949153 -0.0000000 0.1949153), wk = 0.0018282 k( 25) = ( 0.2033898 -0.0000000 0.2033898), wk = 0.0018282 k( 26) = ( 0.2118644 0.0000000 0.2118644), wk = 0.0018282 k( 27) = ( 0.2203390 0.0000000 0.2203390), wk = 0.0018282 k( 28) = ( 0.2288136 0.0000000 0.2288136), wk = 0.0018282 k( 29) = ( 0.2372881 0.0000000 0.2372881), wk = 0.0018282 k( 30) = ( 0.2457627 0.0000000 0.2457627), wk = 0.0018282 k( 31) = ( 0.2542373 0.0000000 0.2542373), wk = 0.0018282 k( 32) = ( 0.2627119 0.0000000 0.2627119), wk = 0.0018282 k( 33) = ( 0.2711864 0.0000000 0.2711864), wk = 0.0018282 k( 34) = ( 0.2796610 0.0000000 0.2796610), wk = 0.0018282 k( 35) = ( 0.2881356 0.0000000 0.2881356), wk = 0.0018282 k( 36) = ( 0.2966102 0.0000000 0.2966102), wk = 0.0018282 k( 37) = ( 0.3050848 0.0000000 0.3050848), wk = 0.0018282 k( 38) = ( 0.3135593 0.0000000 0.3135593), wk = 0.0018282 k( 39) = ( 0.3220339 0.0000000 0.3220339), wk = 0.0018282 k( 40) = ( 0.3305085 0.0000000 0.3305085), wk = 0.0018282 k( 41) = ( 0.3389831 0.0000000 0.3389830), wk = 0.0018282 k( 42) = ( 0.3474576 0.0000000 0.3474576), wk = 0.0018282 k( 43) = ( 0.3559322 0.0000000 0.3559322), wk = 0.0018282 k( 44) = ( 0.3644068 0.0000000 0.3644068), wk = 0.0018282 k( 45) = ( 0.3728814 0.0000000 0.3728814), wk = 0.0018282 k( 46) = ( 0.3813559 0.0000000 0.3813559), wk = 0.0018282 k( 47) = ( 0.3898305 0.0000000 0.3898305), wk = 0.0018282 k( 48) = ( 0.3983051 0.0000000 0.3983051), wk = 0.0018282 k( 49) = ( 0.4067797 -0.0000000 0.4067797), wk = 0.0018282 k( 50) = ( 0.4152542 -0.0000000 0.4152542), wk = 0.0018282 k( 51) = ( 0.4237288 0.0000000 0.4237288), wk = 0.0018282 k( 52) = ( 0.4322034 0.0000000 0.4322034), wk = 0.0018282 k( 53) = ( 0.4406780 0.0000000 0.4406780), wk = 0.0018282 k( 54) = ( 0.4491525 0.0000000 0.4491525), wk = 0.0018282 k( 55) = ( 0.4576271 0.0000000 0.4576271), wk = 0.0018282 k( 56) = ( 0.4661017 0.0000000 0.4661017), wk = 0.0018282 k( 57) = ( 0.4745763 -0.0000000 0.4745763), wk = 0.0018282 k( 58) = ( 0.4830508 -0.0000000 0.4830508), wk = 0.0018282 k( 59) = ( 0.4915254 0.0000000 0.4915254), wk = 0.0018282 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018282 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018282 k( 62) = ( 0.5000000 0.0079648 0.5079647), wk = 0.0018282 k( 63) = ( 0.5000000 0.0159295 0.5159295), wk = 0.0018282 k( 64) = ( 0.5000000 0.0238943 0.5238943), wk = 0.0018282 k( 65) = ( 0.5000000 0.0318590 0.5318590), wk = 0.0018282 k( 66) = ( 0.5000000 0.0398238 0.5398238), wk = 0.0018282 k( 67) = ( 0.5000000 0.0477885 0.5477885), wk = 0.0018282 k( 68) = ( 0.5000000 0.0557533 0.5557533), wk = 0.0018282 k( 69) = ( 0.5000000 0.0637180 0.5637180), wk = 0.0018282 k( 70) = ( 0.5000000 0.0716828 0.5716828), wk = 0.0018282 k( 71) = ( 0.5000000 0.0796475 0.5796475), wk = 0.0018282 k( 72) = ( 0.5000000 0.0876123 0.5876123), wk = 0.0018282 k( 73) = ( 0.5000000 0.0955770 0.5955770), wk = 0.0018282 k( 74) = ( 0.5000000 0.1035418 0.6035418), wk = 0.0018282 k( 75) = ( 0.5000000 0.1115065 0.6115065), wk = 0.0018282 k( 76) = ( 0.5000000 0.1194713 0.6194713), wk = 0.0018282 k( 77) = ( 0.5000000 0.1274360 0.6274360), wk = 0.0018282 k( 78) = ( 0.5000000 0.1354008 0.6354008), wk = 0.0018282 k( 79) = ( 0.5000000 0.1433655 0.6433655), wk = 0.0018282 k( 80) = ( 0.5000000 0.1513303 0.6513303), wk = 0.0018282 k( 81) = ( 0.5000000 0.1592950 0.6592950), wk = 0.0018282 k( 82) = ( 0.5000000 0.1672598 0.6672598), wk = 0.0018282 k( 83) = ( 0.5000000 0.1752245 0.6752245), wk = 0.0018282 k( 84) = ( 0.5000000 0.1831893 0.6831893), wk = 0.0018282 k( 85) = ( 0.5000000 0.1911540 0.6911540), wk = 0.0018282 k( 86) = ( 0.5000000 0.1991188 0.6991188), wk = 0.0018282 k( 87) = ( 0.5000000 0.2070835 0.7070836), wk = 0.0018282 k( 88) = ( 0.5000000 0.2150483 0.7150483), wk = 0.0018282 k( 89) = ( 0.5000000 0.2230131 0.7230131), wk = 0.0018282 k( 90) = ( 0.5000000 0.2230131 0.7230131), wk = 0.0018282 k( 91) = ( 0.4938559 0.2284442 0.7223000), wk = 0.0018282 k( 92) = ( 0.4877117 0.2338753 0.7215870), wk = 0.0018282 k( 93) = ( 0.4815676 0.2393064 0.7208740), wk = 0.0018282 k( 94) = ( 0.4754235 0.2447375 0.7201610), wk = 0.0018282 k( 95) = ( 0.4692793 0.2501686 0.7194480), wk = 0.0018282 k( 96) = ( 0.4631352 0.2555998 0.7187349), wk = 0.0018282 k( 97) = ( 0.4569911 0.2610309 0.7180219), wk = 0.0018282 k( 98) = ( 0.4508469 0.2664620 0.7173089), wk = 0.0018282 k( 99) = ( 0.4447028 0.2718931 0.7165959), wk = 0.0018282 k( 100) = ( 0.4385586 0.2773242 0.7158829), wk = 0.0018282 k( 101) = ( 0.4324145 0.2827553 0.7151698), wk = 0.0018282 k( 102) = ( 0.4262704 0.2881865 0.7144568), wk = 0.0018282 k( 103) = ( 0.4201262 0.2936176 0.7137438), wk = 0.0018282 k( 104) = ( 0.4139821 0.2990487 0.7130308), wk = 0.0018282 k( 105) = ( 0.4078380 0.3044798 0.7123178), wk = 0.0018282 k( 106) = ( 0.4016938 0.3099109 0.7116048), wk = 0.0018282 k( 107) = ( 0.3955497 0.3153420 0.7108917), wk = 0.0018282 k( 108) = ( 0.3894056 0.3207732 0.7101787), wk = 0.0018282 k( 109) = ( 0.3832614 0.3262043 0.7094657), wk = 0.0018282 k( 110) = ( 0.3771173 0.3316354 0.7087527), wk = 0.0018282 k( 111) = ( 0.3709732 0.3370665 0.7080397), wk = 0.0018282 k( 112) = ( 0.3648290 0.3424976 0.7073266), wk = 0.0018282 k( 113) = ( 0.3586849 0.3479287 0.7066136), wk = 0.0018282 k( 114) = ( 0.3525408 0.3533598 0.7059006), wk = 0.0018282 k( 115) = ( 0.3463966 0.3587910 0.7051876), wk = 0.0018282 k( 116) = ( 0.3402525 0.3642221 0.7044746), wk = 0.0018282 k( 117) = ( 0.3341084 0.3696532 0.7037616), wk = 0.0018282 k( 118) = ( 0.3279642 0.3750843 0.7030485), wk = 0.0018282 k( 119) = ( 0.3218201 0.3805154 0.7023355), wk = 0.0018282 k( 120) = ( 0.3156760 0.3859465 0.7016225), wk = 0.0018282 k( 121) = ( 0.3095318 0.3913777 0.7009095), wk = 0.0018282 k( 122) = ( 0.3033877 0.3968088 0.7001965), wk = 0.0018282 k( 123) = ( 0.2972436 0.4022399 0.6994835), wk = 0.0018282 k( 124) = ( 0.2910994 0.4076710 0.6987704), wk = 0.0018282 k( 125) = ( 0.2849553 0.4131021 0.6980574), wk = 0.0018282 k( 126) = ( 0.2788112 0.4185333 0.6973444), wk = 0.0018282 k( 127) = ( 0.2726670 0.4239644 0.6966314), wk = 0.0018282 k( 128) = ( 0.2665229 0.4293955 0.6959184), wk = 0.0018282 k( 129) = ( 0.2603787 0.4348266 0.6952054), wk = 0.0018282 k( 130) = ( 0.2542346 0.4402577 0.6944923), wk = 0.0018282 k( 131) = ( 0.2480905 0.4456888 0.6937793), wk = 0.0018282 k( 132) = ( 0.2419463 0.4511199 0.6930663), wk = 0.0018282 k( 133) = ( 0.2358022 0.4565511 0.6923533), wk = 0.0018282 k( 134) = ( 0.2296581 0.4619822 0.6916403), wk = 0.0018282 k( 135) = ( 0.2235139 0.4674133 0.6909272), wk = 0.0018282 k( 136) = ( 0.2173698 0.4728444 0.6902142), wk = 0.0018282 k( 137) = ( 0.2112257 0.4782755 0.6895012), wk = 0.0018282 k( 138) = ( 0.2050815 0.4837066 0.6887882), wk = 0.0018282 k( 139) = ( 0.1989374 0.4891378 0.6880752), wk = 0.0018282 k( 140) = ( 0.1927933 0.4945689 0.6873622), wk = 0.0018282 k( 141) = ( 0.1866491 0.5000000 0.6866491), wk = 0.0018282 k( 142) = ( 0.1866491 0.5000000 0.6866491), wk = 0.0018282 k( 143) = ( 0.1781651 0.5000000 0.6781651), wk = 0.0018282 k( 144) = ( 0.1696810 0.5000000 0.6696810), wk = 0.0018282 k( 145) = ( 0.1611970 0.5000000 0.6611970), wk = 0.0018282 k( 146) = ( 0.1527129 0.5000000 0.6527129), wk = 0.0018282 k( 147) = ( 0.1442289 0.5000000 0.6442289), wk = 0.0018282 k( 148) = ( 0.1357448 0.5000000 0.6357448), wk = 0.0018282 k( 149) = ( 0.1272608 0.5000000 0.6272608), wk = 0.0018282 k( 150) = ( 0.1187767 0.5000000 0.6187767), wk = 0.0018282 k( 151) = ( 0.1102927 0.5000000 0.6102927), wk = 0.0018282 k( 152) = ( 0.1018086 0.5000000 0.6018086), wk = 0.0018282 k( 153) = ( 0.0933246 0.5000000 0.5933246), wk = 0.0018282 k( 154) = ( 0.0848405 0.5000000 0.5848405), wk = 0.0018282 k( 155) = ( 0.0763565 0.5000000 0.5763565), wk = 0.0018282 k( 156) = ( 0.0678724 0.5000000 0.5678724), wk = 0.0018282 k( 157) = ( 0.0593884 0.5000000 0.5593884), wk = 0.0018282 k( 158) = ( 0.0509043 0.5000000 0.5509043), wk = 0.0018282 k( 159) = ( 0.0424203 0.5000000 0.5424203), wk = 0.0018282 k( 160) = ( 0.0339362 0.5000000 0.5339362), wk = 0.0018282 k( 161) = ( 0.0254521 0.5000000 0.5254522), wk = 0.0018282 k( 162) = ( 0.0169681 0.5000000 0.5169681), wk = 0.0018282 k( 163) = ( 0.0084840 0.5000000 0.5084840), wk = 0.0018282 k( 164) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018282 k( 165) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018282 k( 166) = ( 0.0000000 0.4920635 0.4920635), wk = 0.0018282 k( 167) = ( 0.0000000 0.4841270 0.4841270), wk = 0.0018282 k( 168) = ( 0.0000000 0.4761905 0.4761905), wk = 0.0018282 k( 169) = ( 0.0000000 0.4682540 0.4682540), wk = 0.0018282 k( 170) = ( 0.0000000 0.4603175 0.4603175), wk = 0.0018282 k( 171) = ( 0.0000000 0.4523809 0.4523810), wk = 0.0018282 k( 172) = ( 0.0000000 0.4444444 0.4444444), wk = 0.0018282 k( 173) = ( 0.0000000 0.4365079 0.4365079), wk = 0.0018282 k( 174) = ( 0.0000000 0.4285714 0.4285714), wk = 0.0018282 k( 175) = ( 0.0000000 0.4206349 0.4206349), wk = 0.0018282 k( 176) = ( 0.0000000 0.4126984 0.4126984), wk = 0.0018282 k( 177) = ( 0.0000000 0.4047619 0.4047619), wk = 0.0018282 k( 178) = ( 0.0000000 0.3968254 0.3968254), wk = 0.0018282 k( 179) = ( 0.0000000 0.3888889 0.3888889), wk = 0.0018282 k( 180) = ( 0.0000000 0.3809524 0.3809524), wk = 0.0018282 k( 181) = ( 0.0000000 0.3730159 0.3730159), wk = 0.0018282 k( 182) = ( 0.0000000 0.3650794 0.3650794), wk = 0.0018282 k( 183) = ( 0.0000000 0.3571429 0.3571429), wk = 0.0018282 k( 184) = ( 0.0000000 0.3492063 0.3492063), wk = 0.0018282 k( 185) = ( 0.0000000 0.3412698 0.3412698), wk = 0.0018282 k( 186) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0018282 k( 187) = ( 0.0000000 0.3253968 0.3253968), wk = 0.0018282 k( 188) = ( 0.0000000 0.3174603 0.3174603), wk = 0.0018282 k( 189) = ( 0.0000000 0.3095238 0.3095238), wk = 0.0018282 k( 190) = ( 0.0000000 0.3015873 0.3015873), wk = 0.0018282 k( 191) = ( 0.0000000 0.2936508 0.2936508), wk = 0.0018282 k( 192) = ( 0.0000000 0.2857143 0.2857143), wk = 0.0018282 k( 193) = ( 0.0000000 0.2777778 0.2777778), wk = 0.0018282 k( 194) = ( 0.0000000 0.2698413 0.2698413), wk = 0.0018282 k( 195) = ( 0.0000000 0.2619048 0.2619048), wk = 0.0018282 k( 196) = ( 0.0000000 0.2539683 0.2539683), wk = 0.0018282 k( 197) = ( 0.0000000 0.2460318 0.2460317), wk = 0.0018282 k( 198) = ( 0.0000000 0.2380952 0.2380952), wk = 0.0018282 k( 199) = ( 0.0000000 0.2301587 0.2301587), wk = 0.0018282 k( 200) = ( 0.0000000 0.2222222 0.2222222), wk = 0.0018282 k( 201) = ( 0.0000000 0.2142857 0.2142857), wk = 0.0018282 k( 202) = ( 0.0000000 0.2063492 0.2063492), wk = 0.0018282 k( 203) = ( 0.0000000 0.1984127 0.1984127), wk = 0.0018282 k( 204) = ( 0.0000000 0.1904762 0.1904762), wk = 0.0018282 k( 205) = ( 0.0000000 0.1825397 0.1825397), wk = 0.0018282 k( 206) = ( 0.0000000 0.1746032 0.1746032), wk = 0.0018282 k( 207) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0018282 k( 208) = ( 0.0000000 0.1587302 0.1587302), wk = 0.0018282 k( 209) = ( 0.0000000 0.1507937 0.1507937), wk = 0.0018282 k( 210) = ( 0.0000000 0.1428571 0.1428571), wk = 0.0018282 k( 211) = ( 0.0000000 0.1349206 0.1349206), wk = 0.0018282 k( 212) = ( 0.0000000 0.1269841 0.1269841), wk = 0.0018282 k( 213) = ( 0.0000000 0.1190476 0.1190476), wk = 0.0018282 k( 214) = ( 0.0000000 0.1111111 0.1111111), wk = 0.0018282 k( 215) = ( 0.0000000 0.1031746 0.1031746), wk = 0.0018282 k( 216) = ( 0.0000000 0.0952381 0.0952381), wk = 0.0018282 k( 217) = ( 0.0000000 0.0873016 0.0873016), wk = 0.0018282 k( 218) = ( 0.0000000 0.0793651 0.0793651), wk = 0.0018282 k( 219) = ( 0.0000000 0.0714286 0.0714286), wk = 0.0018282 k( 220) = ( 0.0000000 0.0634921 0.0634921), wk = 0.0018282 k( 221) = ( 0.0000000 0.0555556 0.0555556), wk = 0.0018282 k( 222) = ( 0.0000000 0.0476191 0.0476191), wk = 0.0018282 k( 223) = ( 0.0000000 0.0396825 0.0396825), wk = 0.0018282 k( 224) = ( 0.0000000 0.0317460 0.0317460), wk = 0.0018282 k( 225) = ( 0.0000000 0.0238095 0.0238095), wk = 0.0018282 k( 226) = ( 0.0000000 0.0158730 0.0158730), wk = 0.0018282 k( 227) = ( 0.0000000 0.0079365 0.0079365), wk = 0.0018282 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 k( 230) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0018282 k( 231) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0018282 k( 232) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0018282 k( 233) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0018282 k( 234) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0018282 k( 235) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0018282 k( 236) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0018282 k( 237) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0018282 k( 238) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0018282 k( 239) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0018282 k( 240) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0018282 k( 241) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0018282 k( 242) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0018282 k( 243) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0018282 k( 244) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0018282 k( 245) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0018282 k( 246) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0018282 k( 247) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0018282 k( 248) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0018282 k( 249) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0018282 k( 250) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0018282 k( 251) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0018282 k( 252) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0018282 k( 253) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0018282 k( 254) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0018282 k( 255) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0018282 k( 256) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0018282 k( 257) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0018282 k( 258) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0018282 k( 259) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0018282 k( 260) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0018282 k( 261) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0018282 k( 262) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0018282 k( 263) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0018282 k( 264) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0018282 k( 265) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0018282 k( 266) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0018282 k( 267) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0018282 k( 268) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0018282 k( 269) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0018282 k( 270) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0018282 k( 271) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0018282 k( 272) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0018282 k( 273) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0018282 k( 274) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0018282 k( 275) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0018282 k( 276) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0018282 k( 277) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0018282 k( 278) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0018282 k( 279) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0018282 k( 280) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0018282 k( 281) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0018282 k( 282) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0018282 k( 283) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0018282 k( 284) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0018282 k( 285) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018282 k( 286) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018282 k( 287) = ( 0.5084689 0.5000000 0.0084689), wk = 0.0018282 k( 288) = ( 0.5169379 0.5000000 0.0169379), wk = 0.0018282 k( 289) = ( 0.5254068 0.5000000 0.0254068), wk = 0.0018282 k( 290) = ( 0.5338758 0.5000000 0.0338758), wk = 0.0018282 k( 291) = ( 0.5423447 0.5000000 0.0423447), wk = 0.0018282 k( 292) = ( 0.5508137 0.5000000 0.0508137), wk = 0.0018282 k( 293) = ( 0.5592826 0.5000000 0.0592826), wk = 0.0018282 k( 294) = ( 0.5677515 0.5000000 0.0677515), wk = 0.0018282 k( 295) = ( 0.5762205 0.5000000 0.0762205), wk = 0.0018282 k( 296) = ( 0.5846894 0.5000000 0.0846894), wk = 0.0018282 k( 297) = ( 0.5931584 0.5000000 0.0931584), wk = 0.0018282 k( 298) = ( 0.6016273 0.5000000 0.1016273), wk = 0.0018282 k( 299) = ( 0.6100963 0.5000000 0.1100962), wk = 0.0018282 k( 300) = ( 0.6185652 0.5000000 0.1185652), wk = 0.0018282 k( 301) = ( 0.6270341 0.5000000 0.1270341), wk = 0.0018282 k( 302) = ( 0.6355031 0.5000000 0.1355031), wk = 0.0018282 k( 303) = ( 0.6439720 0.5000000 0.1439720), wk = 0.0018282 k( 304) = ( 0.6524410 0.5000000 0.1524410), wk = 0.0018282 k( 305) = ( 0.6609099 0.5000000 0.1609099), wk = 0.0018282 k( 306) = ( 0.6693788 0.5000000 0.1693789), wk = 0.0018282 k( 307) = ( 0.6778478 0.5000000 0.1778478), wk = 0.0018282 k( 308) = ( 0.6863167 0.5000000 0.1863167), wk = 0.0018282 k( 309) = ( 0.6947857 0.5000000 0.1947857), wk = 0.0018282 k( 310) = ( 0.7032546 0.5000000 0.2032546), wk = 0.0018282 k( 311) = ( 0.7117236 0.5000000 0.2117236), wk = 0.0018282 k( 312) = ( 0.7201925 0.5000000 0.2201925), wk = 0.0018282 k( 313) = ( 0.7286615 0.5000000 0.2286615), wk = 0.0018282 k( 314) = ( 0.7371304 0.5000000 0.2371304), wk = 0.0018282 k( 315) = ( 0.7455993 0.5000000 0.2455993), wk = 0.0018282 k( 316) = ( 0.7540683 0.5000000 0.2540683), wk = 0.0018282 k( 317) = ( 0.7625372 0.5000000 0.2625372), wk = 0.0018282 k( 318) = ( 0.7710062 0.5000000 0.2710062), wk = 0.0018282 k( 319) = ( 0.7794751 0.5000000 0.2794751), wk = 0.0018282 k( 320) = ( 0.7879440 0.5000000 0.2879440), wk = 0.0018282 k( 321) = ( 0.7964130 0.5000000 0.2964130), wk = 0.0018282 k( 322) = ( 0.8048819 0.5000000 0.3048819), wk = 0.0018282 k( 323) = ( 0.8133509 0.5000000 0.3133509), wk = 0.0018282 k( 324) = ( 0.8133509 0.5000000 0.3133509), wk = 0.0018282 k( 325) = ( 0.8125641 0.4935572 0.3190069), wk = 0.0018282 k( 326) = ( 0.8117773 0.4871143 0.3246629), wk = 0.0018282 k( 327) = ( 0.8109905 0.4806715 0.3303190), wk = 0.0018282 k( 328) = ( 0.8102037 0.4742287 0.3359750), wk = 0.0018282 k( 329) = ( 0.8094169 0.4677859 0.3416310), wk = 0.0018282 k( 330) = ( 0.8086301 0.4613430 0.3472871), wk = 0.0018282 k( 331) = ( 0.8078433 0.4549002 0.3529431), wk = 0.0018282 k( 332) = ( 0.8070565 0.4484574 0.3585991), wk = 0.0018282 k( 333) = ( 0.8062697 0.4420145 0.3642552), wk = 0.0018282 k( 334) = ( 0.8054829 0.4355717 0.3699112), wk = 0.0018282 k( 335) = ( 0.8046961 0.4291289 0.3755673), wk = 0.0018282 k( 336) = ( 0.8039093 0.4226860 0.3812233), wk = 0.0018282 k( 337) = ( 0.8031225 0.4162432 0.3868793), wk = 0.0018282 k( 338) = ( 0.8023357 0.4098004 0.3925354), wk = 0.0018282 k( 339) = ( 0.8015489 0.4033576 0.3981914), wk = 0.0018282 k( 340) = ( 0.8007621 0.3969147 0.4038474), wk = 0.0018282 k( 341) = ( 0.7999753 0.3904719 0.4095034), wk = 0.0018282 k( 342) = ( 0.7991885 0.3840291 0.4151595), wk = 0.0018282 k( 343) = ( 0.7984018 0.3775862 0.4208155), wk = 0.0018282 k( 344) = ( 0.7976150 0.3711434 0.4264715), wk = 0.0018282 k( 345) = ( 0.7968282 0.3647006 0.4321276), wk = 0.0018282 k( 346) = ( 0.7960414 0.3582577 0.4377836), wk = 0.0018282 k( 347) = ( 0.7952546 0.3518149 0.4434397), wk = 0.0018282 k( 348) = ( 0.7944678 0.3453721 0.4490957), wk = 0.0018282 k( 349) = ( 0.7936810 0.3389293 0.4547517), wk = 0.0018282 k( 350) = ( 0.7928942 0.3324864 0.4604078), wk = 0.0018282 k( 351) = ( 0.7921074 0.3260436 0.4660638), wk = 0.0018282 k( 352) = ( 0.7913206 0.3196008 0.4717198), wk = 0.0018282 k( 353) = ( 0.7905338 0.3131579 0.4773759), wk = 0.0018282 k( 354) = ( 0.7897470 0.3067151 0.4830319), wk = 0.0018282 k( 355) = ( 0.7889602 0.3002723 0.4886879), wk = 0.0018282 k( 356) = ( 0.7881734 0.2938294 0.4943440), wk = 0.0018282 k( 357) = ( 0.7873866 0.2873866 0.5000000), wk = 0.0018282 k( 358) = ( 0.7873866 0.2873866 0.5000000), wk = 0.0018282 k( 359) = ( 0.7807032 0.2858895 0.5051864), wk = 0.0018282 k( 360) = ( 0.7740198 0.2843925 0.5103727), wk = 0.0018282 k( 361) = ( 0.7673364 0.2828954 0.5155591), wk = 0.0018282 k( 362) = ( 0.7606530 0.2813984 0.5207454), wk = 0.0018282 k( 363) = ( 0.7539696 0.2799013 0.5259318), wk = 0.0018282 k( 364) = ( 0.7472861 0.2784043 0.5311181), wk = 0.0018282 k( 365) = ( 0.7406027 0.2769072 0.5363045), wk = 0.0018282 k( 366) = ( 0.7339193 0.2754101 0.5414908), wk = 0.0018282 k( 367) = ( 0.7272359 0.2739131 0.5466771), wk = 0.0018282 k( 368) = ( 0.7205525 0.2724160 0.5518635), wk = 0.0018282 k( 369) = ( 0.7138691 0.2709189 0.5570499), wk = 0.0018282 k( 370) = ( 0.7071857 0.2694219 0.5622362), wk = 0.0018282 k( 371) = ( 0.7005023 0.2679248 0.5674225), wk = 0.0018282 k( 372) = ( 0.6938189 0.2664278 0.5726089), wk = 0.0018282 k( 373) = ( 0.6871355 0.2649307 0.5777952), wk = 0.0018282 k( 374) = ( 0.6804520 0.2634337 0.5829816), wk = 0.0018282 k( 375) = ( 0.6737686 0.2619366 0.5881679), wk = 0.0018282 k( 376) = ( 0.6670852 0.2604395 0.5933543), wk = 0.0018282 k( 377) = ( 0.6604018 0.2589425 0.5985407), wk = 0.0018282 k( 378) = ( 0.6537184 0.2574454 0.6037270), wk = 0.0018282 k( 379) = ( 0.6470350 0.2559484 0.6089134), wk = 0.0018282 k( 380) = ( 0.6403516 0.2544513 0.6140997), wk = 0.0018282 k( 381) = ( 0.6336682 0.2529542 0.6192861), wk = 0.0018282 k( 382) = ( 0.6269848 0.2514572 0.6244724), wk = 0.0018282 k( 383) = ( 0.6203014 0.2499601 0.6296588), wk = 0.0018282 k( 384) = ( 0.6136180 0.2484631 0.6348451), wk = 0.0018282 k( 385) = ( 0.6069345 0.2469660 0.6400314), wk = 0.0018282 k( 386) = ( 0.6002511 0.2454689 0.6452178), wk = 0.0018282 k( 387) = ( 0.5935677 0.2439719 0.6504041), wk = 0.0018282 k( 388) = ( 0.5868843 0.2424748 0.6555905), wk = 0.0018282 k( 389) = ( 0.5802009 0.2409778 0.6607768), wk = 0.0018282 k( 390) = ( 0.5735175 0.2394807 0.6659632), wk = 0.0018282 k( 391) = ( 0.5668341 0.2379836 0.6711495), wk = 0.0018282 k( 392) = ( 0.5601507 0.2364866 0.6763359), wk = 0.0018282 k( 393) = ( 0.5534673 0.2349895 0.6815222), wk = 0.0018282 k( 394) = ( 0.5467839 0.2334925 0.6867086), wk = 0.0018282 k( 395) = ( 0.5401005 0.2319954 0.6918950), wk = 0.0018282 k( 396) = ( 0.5334170 0.2304984 0.6970813), wk = 0.0018282 k( 397) = ( 0.5267336 0.2290013 0.7022677), wk = 0.0018282 k( 398) = ( 0.5200502 0.2275042 0.7074540), wk = 0.0018282 k( 399) = ( 0.5133668 0.2260072 0.7126404), wk = 0.0018282 k( 400) = ( 0.5066834 0.2245101 0.7178267), wk = 0.0018282 k( 401) = ( 0.5000000 0.2230131 0.7230131), wk = 0.0018282 k( 402) = ( 0.5000000 0.7769869 0.2769870), wk = 0.0018282 k( 403) = ( 0.5000000 0.7690730 0.2690730), wk = 0.0018282 k( 404) = ( 0.5000000 0.7611591 0.2611591), wk = 0.0018282 k( 405) = ( 0.5000000 0.7532452 0.2532452), wk = 0.0018282 k( 406) = ( 0.5000000 0.7453313 0.2453313), wk = 0.0018282 k( 407) = ( 0.5000000 0.7374174 0.2374174), wk = 0.0018282 k( 408) = ( 0.5000000 0.7295035 0.2295035), wk = 0.0018282 k( 409) = ( 0.5000000 0.7215896 0.2215896), wk = 0.0018282 k( 410) = ( 0.5000000 0.7136756 0.2136757), wk = 0.0018282 k( 411) = ( 0.5000000 0.7057617 0.2057617), wk = 0.0018282 k( 412) = ( 0.5000000 0.6978478 0.1978478), wk = 0.0018282 k( 413) = ( 0.5000000 0.6899339 0.1899339), wk = 0.0018282 k( 414) = ( 0.5000000 0.6820200 0.1820200), wk = 0.0018282 k( 415) = ( 0.5000000 0.6741061 0.1741061), wk = 0.0018282 k( 416) = ( 0.5000000 0.6661922 0.1661922), wk = 0.0018282 k( 417) = ( 0.5000000 0.6582783 0.1582783), wk = 0.0018282 k( 418) = ( 0.5000000 0.6503644 0.1503644), wk = 0.0018282 k( 419) = ( 0.5000000 0.6424504 0.1424504), wk = 0.0018282 k( 420) = ( 0.5000000 0.6345365 0.1345365), wk = 0.0018282 k( 421) = ( 0.5000000 0.6266226 0.1266226), wk = 0.0018282 k( 422) = ( 0.5000000 0.6187087 0.1187087), wk = 0.0018282 k( 423) = ( 0.5000000 0.6107948 0.1107948), wk = 0.0018282 k( 424) = ( 0.5000000 0.6028809 0.1028809), wk = 0.0018282 k( 425) = ( 0.5000000 0.5949670 0.0949670), wk = 0.0018282 k( 426) = ( 0.5000000 0.5870530 0.0870530), wk = 0.0018282 k( 427) = ( 0.5000000 0.5791391 0.0791391), wk = 0.0018282 k( 428) = ( 0.5000000 0.5712252 0.0712252), wk = 0.0018282 k( 429) = ( 0.5000000 0.5633113 0.0633113), wk = 0.0018282 k( 430) = ( 0.5000000 0.5553974 0.0553974), wk = 0.0018282 k( 431) = ( 0.5000000 0.5474835 0.0474835), wk = 0.0018282 k( 432) = ( 0.5000000 0.5395696 0.0395696), wk = 0.0018282 k( 433) = ( 0.5000000 0.5316557 0.0316557), wk = 0.0018282 k( 434) = ( 0.5000000 0.5237417 0.0237417), wk = 0.0018282 k( 435) = ( 0.5000000 0.5158278 0.0158278), wk = 0.0018282 k( 436) = ( 0.5000000 0.5079139 0.0079139), wk = 0.0018282 k( 437) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018282 k( 438) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018282 k( 439) = ( 0.0088589 0.5088589 0.5000000), wk = 0.0018282 k( 440) = ( 0.0177178 0.5177178 0.5000000), wk = 0.0018282 k( 441) = ( 0.0265767 0.5265767 0.5000000), wk = 0.0018282 k( 442) = ( 0.0354356 0.5354356 0.5000000), wk = 0.0018282 k( 443) = ( 0.0442945 0.5442945 0.5000000), wk = 0.0018282 k( 444) = ( 0.0531534 0.5531533 0.5000000), wk = 0.0018282 k( 445) = ( 0.0620122 0.5620122 0.5000000), wk = 0.0018282 k( 446) = ( 0.0708711 0.5708711 0.5000000), wk = 0.0018282 k( 447) = ( 0.0797300 0.5797300 0.5000000), wk = 0.0018282 k( 448) = ( 0.0885889 0.5885889 0.5000000), wk = 0.0018282 k( 449) = ( 0.0974478 0.5974478 0.5000000), wk = 0.0018282 k( 450) = ( 0.1063067 0.6063067 0.5000000), wk = 0.0018282 k( 451) = ( 0.1151656 0.6151656 0.5000000), wk = 0.0018282 k( 452) = ( 0.1240245 0.6240245 0.5000000), wk = 0.0018282 k( 453) = ( 0.1328834 0.6328834 0.5000000), wk = 0.0018282 k( 454) = ( 0.1417423 0.6417423 0.5000000), wk = 0.0018282 k( 455) = ( 0.1506012 0.6506012 0.5000000), wk = 0.0018282 k( 456) = ( 0.1594600 0.6594600 0.5000000), wk = 0.0018282 k( 457) = ( 0.1683189 0.6683189 0.5000000), wk = 0.0018282 k( 458) = ( 0.1771778 0.6771778 0.5000000), wk = 0.0018282 k( 459) = ( 0.1860367 0.6860367 0.5000000), wk = 0.0018282 k( 460) = ( 0.1948956 0.6948956 0.5000000), wk = 0.0018282 k( 461) = ( 0.2037545 0.7037545 0.5000000), wk = 0.0018282 k( 462) = ( 0.2126134 0.7126134 0.5000000), wk = 0.0018282 k( 463) = ( 0.7873866 0.2873866 0.5000000), wk = 0.0018282 k( 464) = ( 0.7784058 0.2784058 0.5000000), wk = 0.0018282 k( 465) = ( 0.7694249 0.2694249 0.5000000), wk = 0.0018282 k( 466) = ( 0.7604441 0.2604441 0.5000000), wk = 0.0018282 k( 467) = ( 0.7514633 0.2514633 0.5000000), wk = 0.0018282 k( 468) = ( 0.7424825 0.2424824 0.5000000), wk = 0.0018282 k( 469) = ( 0.7335016 0.2335016 0.5000000), wk = 0.0018282 k( 470) = ( 0.7245208 0.2245208 0.5000000), wk = 0.0018282 k( 471) = ( 0.7155400 0.2155400 0.5000000), wk = 0.0018282 k( 472) = ( 0.7065591 0.2065591 0.5000000), wk = 0.0018282 k( 473) = ( 0.6975783 0.1975783 0.5000000), wk = 0.0018282 k( 474) = ( 0.6885975 0.1885975 0.5000000), wk = 0.0018282 k( 475) = ( 0.6796166 0.1796166 0.5000000), wk = 0.0018282 k( 476) = ( 0.6706358 0.1706358 0.5000000), wk = 0.0018282 k( 477) = ( 0.6616550 0.1616550 0.5000000), wk = 0.0018282 k( 478) = ( 0.6526741 0.1526741 0.5000000), wk = 0.0018282 k( 479) = ( 0.6436933 0.1436933 0.5000000), wk = 0.0018282 k( 480) = ( 0.6347125 0.1347125 0.5000000), wk = 0.0018282 k( 481) = ( 0.6257316 0.1257316 0.5000000), wk = 0.0018282 k( 482) = ( 0.6167508 0.1167508 0.5000000), wk = 0.0018282 k( 483) = ( 0.6077700 0.1077700 0.5000000), wk = 0.0018282 k( 484) = ( 0.5987891 0.0987891 0.5000000), wk = 0.0018282 k( 485) = ( 0.5898083 0.0898083 0.5000000), wk = 0.0018282 k( 486) = ( 0.5808275 0.0808275 0.5000000), wk = 0.0018282 k( 487) = ( 0.5718467 0.0718467 0.5000000), wk = 0.0018282 k( 488) = ( 0.5628658 0.0628658 0.5000000), wk = 0.0018282 k( 489) = ( 0.5538850 0.0538850 0.5000000), wk = 0.0018282 k( 490) = ( 0.5449042 0.0449042 0.5000000), wk = 0.0018282 k( 491) = ( 0.5359233 0.0359233 0.5000000), wk = 0.0018282 k( 492) = ( 0.5269425 0.0269425 0.5000000), wk = 0.0018282 k( 493) = ( 0.5179617 0.0179617 0.5000000), wk = 0.0018282 k( 494) = ( 0.5089808 0.0089808 0.5000000), wk = 0.0018282 k( 495) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018282 k( 496) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018282 k( 497) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0018282 k( 498) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0018282 k( 499) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0018282 k( 500) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0018282 k( 501) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0018282 k( 502) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0018282 k( 503) = ( 0.4313726 0.4313725 0.4313726), wk = 0.0018282 k( 504) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0018282 k( 505) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0018282 k( 506) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0018282 k( 507) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0018282 k( 508) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0018282 k( 509) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0018282 k( 510) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0018282 k( 511) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0018282 k( 512) = ( 0.3431373 0.3431373 0.3431372), wk = 0.0018282 k( 513) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0018282 k( 514) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0018282 k( 515) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0018282 k( 516) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0018282 k( 517) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0018282 k( 518) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0018282 k( 519) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0018282 k( 520) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0018282 k( 521) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0018282 k( 522) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0018282 k( 523) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0018282 k( 524) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0018282 k( 525) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0018282 k( 526) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0018282 k( 527) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0018282 k( 528) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0018282 k( 529) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0018282 k( 530) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0018282 k( 531) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0018282 k( 532) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0018282 k( 533) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0018282 k( 534) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0018282 k( 535) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0018282 k( 536) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0018282 k( 537) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0018282 k( 538) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0018282 k( 539) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0018282 k( 540) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0018282 k( 541) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0018282 k( 542) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0018282 k( 543) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0018282 k( 544) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0018282 k( 545) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0018282 k( 546) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0018282 k( 547) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018282 Dense grid: 14731 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 10879 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 60, 16) NL pseudopotentials 0.02 Mb ( 30, 36) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 309) G-vector shells 0.00 Mb ( 293) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 60, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.02 Mb ( 36, 2, 16) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./HCl.save/charge-density.dat Starting wfc are 10 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.4 secs Computing kpt #: 3 total cpu time spent up to now is 42.5 secs Computing kpt #: 4 total cpu time spent up to now is 42.7 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 43.1 secs Computing kpt #: 7 total cpu time spent up to now is 43.3 secs Computing kpt #: 8 total cpu time spent up to now is 43.6 secs Computing kpt #: 9 total cpu time spent up to now is 43.8 secs Computing kpt #: 10 total cpu time spent up to now is 44.0 secs Computing kpt #: 11 total cpu time spent up to now is 44.2 secs Computing kpt #: 12 total cpu time spent up to now is 44.4 secs Computing kpt #: 13 total cpu time spent up to now is 44.6 secs Computing kpt #: 14 total cpu time spent up to now is 44.8 secs Computing kpt #: 15 total cpu time spent up to now is 45.0 secs Computing kpt #: 16 total cpu time spent up to now is 45.2 secs Computing kpt #: 17 total cpu time spent up to now is 45.4 secs Computing kpt #: 18 total cpu time spent up to now is 45.6 secs Computing kpt #: 19 total cpu time spent up to now is 45.8 secs Computing kpt #: 20 total cpu time spent up to now is 46.0 secs Computing kpt #: 21 total cpu time spent up to now is 46.2 secs Computing kpt #: 22 total cpu time spent up to now is 46.5 secs Computing kpt #: 23 total cpu time spent up to now is 46.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.0 secs Computing kpt #: 25 total cpu time spent up to now is 47.2 secs Computing kpt #: 26 total cpu time spent up to now is 47.4 secs Computing kpt #: 27 total cpu time spent up to now is 47.6 secs Computing kpt #: 28 total cpu time spent up to now is 47.8 secs Computing kpt #: 29 total cpu time spent up to now is 48.0 secs Computing kpt #: 30 total cpu time spent up to now is 48.2 secs Computing kpt #: 31 total cpu time spent up to now is 48.4 secs Computing kpt #: 32 total cpu time spent up to now is 48.6 secs Computing kpt #: 33 total cpu time spent up to now is 48.7 secs Computing kpt #: 34 total cpu time spent up to now is 48.9 secs Computing kpt #: 35 total cpu time spent up to now is 49.2 secs Computing kpt #: 36 total cpu time spent up to now is 49.4 secs Computing kpt #: 37 total cpu time spent up to now is 49.6 secs Computing kpt #: 38 total cpu time spent up to now is 49.8 secs Computing kpt #: 39 total cpu time spent up to now is 50.0 secs Computing kpt #: 40 total cpu time spent up to now is 50.3 secs Computing kpt #: 41 total cpu time spent up to now is 50.5 secs Computing kpt #: 42 total cpu time spent up to now is 50.6 secs Computing kpt #: 43 total cpu time spent up to now is 50.9 secs Computing kpt #: 44 total cpu time spent up to now is 51.1 secs Computing kpt #: 45 total cpu time spent up to now is 51.3 secs Computing kpt #: 46 total cpu time spent up to now is 51.6 secs Computing kpt #: 47 total cpu time spent up to now is 51.8 secs Computing kpt #: 48 total cpu time spent up to now is 52.1 secs Computing kpt #: 49 total cpu time spent up to now is 52.3 secs Computing kpt #: 50 total cpu time spent up to now is 52.6 secs Computing kpt #: 51 total cpu time spent up to now is 52.8 secs Computing kpt #: 52 total cpu time spent up to now is 53.3 secs Computing kpt #: 53 total cpu time spent up to now is 53.9 secs Computing kpt #: 54 total cpu time spent up to now is 54.6 secs Computing kpt #: 55 total cpu time spent up to now is 54.8 secs Computing kpt #: 56 total cpu time spent up to now is 55.3 secs Computing kpt #: 57 total cpu time spent up to now is 55.5 secs Computing kpt #: 58 total cpu time spent up to now is 55.8 secs Computing kpt #: 59 total cpu time spent up to now is 56.5 secs Computing kpt #: 60 total cpu time spent up to now is 57.0 secs Computing kpt #: 61 total cpu time spent up to now is 57.6 secs Computing kpt #: 62 total cpu time spent up to now is 57.8 secs Computing kpt #: 63 total cpu time spent up to now is 58.1 secs Computing kpt #: 64 total cpu time spent up to now is 58.4 secs Computing kpt #: 65 total cpu time spent up to now is 58.6 secs Computing kpt #: 66 total cpu time spent up to now is 58.9 secs Computing kpt #: 67 total cpu time spent up to now is 59.2 secs Computing kpt #: 68 total cpu time spent up to now is 59.4 secs Computing kpt #: 69 total cpu time spent up to now is 59.6 secs Computing kpt #: 70 total cpu time spent up to now is 59.8 secs Computing kpt #: 71 total cpu time spent up to now is 60.0 secs Computing kpt #: 72 total cpu time spent up to now is 60.2 secs Computing kpt #: 73 total cpu time spent up to now is 60.3 secs Computing kpt #: 74 total cpu time spent up to now is 60.5 secs Computing kpt #: 75 total cpu time spent up to now is 60.7 secs Computing kpt #: 76 total cpu time spent up to now is 60.8 secs Computing kpt #: 77 total cpu time spent up to now is 61.0 secs Computing kpt #: 78 total cpu time spent up to now is 61.1 secs Computing kpt #: 79 total cpu time spent up to now is 61.3 secs Computing kpt #: 80 total cpu time spent up to now is 61.4 secs Computing kpt #: 81 total cpu time spent up to now is 61.6 secs Computing kpt #: 82 total cpu time spent up to now is 61.7 secs Computing kpt #: 83 total cpu time spent up to now is 61.8 secs Computing kpt #: 84 total cpu time spent up to now is 62.0 secs Computing kpt #: 85 total cpu time spent up to now is 62.1 secs Computing kpt #: 86 total cpu time spent up to now is 62.3 secs Computing kpt #: 87 total cpu time spent up to now is 62.4 secs Computing kpt #: 88 total cpu time spent up to now is 62.5 secs Computing kpt #: 89 total cpu time spent up to now is 62.7 secs Computing kpt #: 90 total cpu time spent up to now is 62.8 secs Computing kpt #: 91 total cpu time spent up to now is 62.9 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.3 secs Computing kpt #: 95 total cpu time spent up to now is 63.4 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 64.2 secs Computing kpt #: 98 total cpu time spent up to now is 64.6 secs Computing kpt #: 99 total cpu time spent up to now is 65.6 secs Computing kpt #: 100 total cpu time spent up to now is 65.8 secs Computing kpt #: 101 total cpu time spent up to now is 65.9 secs Computing kpt #: 102 total cpu time spent up to now is 66.1 secs Computing kpt #: 103 total cpu time spent up to now is 66.7 secs Computing kpt #: 104 total cpu time spent up to now is 67.1 secs Computing kpt #: 105 total cpu time spent up to now is 67.3 secs Computing kpt #: 106 total cpu time spent up to now is 67.5 secs Computing kpt #: 107 total cpu time spent up to now is 67.6 secs Computing kpt #: 108 total cpu time spent up to now is 67.8 secs Computing kpt #: 109 total cpu time spent up to now is 68.0 secs Computing kpt #: 110 total cpu time spent up to now is 68.4 secs Computing kpt #: 111 total cpu time spent up to now is 68.6 secs Computing kpt #: 112 total cpu time spent up to now is 68.8 secs Computing kpt #: 113 total cpu time spent up to now is 69.0 secs Computing kpt #: 114 total cpu time spent up to now is 69.3 secs Computing kpt #: 115 total cpu time spent up to now is 69.5 secs Computing kpt #: 116 total cpu time spent up to now is 69.7 secs Computing kpt #: 117 total cpu time spent up to now is 69.9 secs Computing kpt #: 118 total cpu time spent up to now is 70.3 secs Computing kpt #: 119 total cpu time spent up to now is 70.6 secs Computing kpt #: 120 total cpu time spent up to now is 70.8 secs Computing kpt #: 121 total cpu time spent up to now is 70.9 secs Computing kpt #: 122 total cpu time spent up to now is 71.1 secs Computing kpt #: 123 total cpu time spent up to now is 71.4 secs Computing kpt #: 124 total cpu time spent up to now is 71.5 secs Computing kpt #: 125 total cpu time spent up to now is 71.7 secs Computing kpt #: 126 total cpu time spent up to now is 71.8 secs Computing kpt #: 127 total cpu time spent up to now is 71.9 secs Computing kpt #: 128 total cpu time spent up to now is 72.1 secs Computing kpt #: 129 total cpu time spent up to now is 72.2 secs Computing kpt #: 130 total cpu time spent up to now is 72.3 secs Computing kpt #: 131 total cpu time spent up to now is 72.5 secs Computing kpt #: 132 total cpu time spent up to now is 72.6 secs Computing kpt #: 133 total cpu time spent up to now is 72.7 secs Computing kpt #: 134 total cpu time spent up to now is 73.0 secs Computing kpt #: 135 total cpu time spent up to now is 73.2 secs Computing kpt #: 136 total cpu time spent up to now is 73.4 secs Computing kpt #: 137 total cpu time spent up to now is 73.5 secs Computing kpt #: 138 total cpu time spent up to now is 73.7 secs Computing kpt #: 139 total cpu time spent up to now is 74.8 secs Computing kpt #: 140 total cpu time spent up to now is 75.1 secs Computing kpt #: 141 total cpu time spent up to now is 75.5 secs Computing kpt #: 142 total cpu time spent up to now is 75.6 secs Computing kpt #: 143 total cpu time spent up to now is 76.3 secs Computing kpt #: 144 total cpu time spent up to now is 76.6 secs Computing kpt #: 145 total cpu time spent up to now is 76.8 secs Computing kpt #: 146 total cpu time spent up to now is 77.0 secs Computing kpt #: 147 total cpu time spent up to now is 77.1 secs Computing kpt #: 148 total cpu time spent up to now is 77.3 secs Computing kpt #: 149 total cpu time spent up to now is 77.5 secs Computing kpt #: 150 total cpu time spent up to now is 77.7 secs Computing kpt #: 151 total cpu time spent up to now is 77.9 secs Computing kpt #: 152 total cpu time spent up to now is 78.2 secs Computing kpt #: 153 total cpu time spent up to now is 78.5 secs Computing kpt #: 154 total cpu time spent up to now is 78.8 secs Computing kpt #: 155 total cpu time spent up to now is 79.2 secs Computing kpt #: 156 total cpu time spent up to now is 80.2 secs Computing kpt #: 157 total cpu time spent up to now is 80.5 secs Computing kpt #: 158 total cpu time spent up to now is 80.7 secs Computing kpt #: 159 total cpu time spent up to now is 80.9 secs Computing kpt #: 160 total cpu time spent up to now is 81.2 secs Computing kpt #: 161 total cpu time spent up to now is 81.4 secs Computing kpt #: 162 total cpu time spent up to now is 81.6 secs Computing kpt #: 163 total cpu time spent up to now is 81.8 secs Computing kpt #: 164 total cpu time spent up to now is 82.1 secs Computing kpt #: 165 total cpu time spent up to now is 82.8 secs Computing kpt #: 166 total cpu time spent up to now is 83.0 secs Computing kpt #: 167 total cpu time spent up to now is 83.3 secs Computing kpt #: 168 total cpu time spent up to now is 83.7 secs Computing kpt #: 169 total cpu time spent up to now is 84.1 secs Computing kpt #: 170 total cpu time spent up to now is 84.3 secs Computing kpt #: 171 total cpu time spent up to now is 84.6 secs Computing kpt #: 172 total cpu time spent up to now is 84.8 secs Computing kpt #: 173 total cpu time spent up to now is 85.4 secs Computing kpt #: 174 total cpu time spent up to now is 85.5 secs Computing kpt #: 175 total cpu time spent up to now is 85.8 secs Computing kpt #: 176 total cpu time spent up to now is 86.1 secs Computing kpt #: 177 total cpu time spent up to now is 86.3 secs Computing kpt #: 178 total cpu time spent up to now is 86.7 secs Computing kpt #: 179 total cpu time spent up to now is 86.9 secs Computing kpt #: 180 total cpu time spent up to now is 87.1 secs Computing kpt #: 181 total cpu time spent up to now is 87.4 secs Computing kpt #: 182 total cpu time spent up to now is 87.6 secs Computing kpt #: 183 total cpu time spent up to now is 87.8 secs Computing kpt #: 184 total cpu time spent up to now is 88.0 secs Computing kpt #: 185 total cpu time spent up to now is 88.2 secs Computing kpt #: 186 total cpu time spent up to now is 88.4 secs Computing kpt #: 187 total cpu time spent up to now is 88.6 secs Computing kpt #: 188 total cpu time spent up to now is 88.7 secs Computing kpt #: 189 total cpu time spent up to now is 88.9 secs Computing kpt #: 190 total cpu time spent up to now is 89.1 secs Computing kpt #: 191 total cpu time spent up to now is 89.2 secs Computing kpt #: 192 total cpu time spent up to now is 89.5 secs Computing kpt #: 193 total cpu time spent up to now is 89.7 secs Computing kpt #: 194 total cpu time spent up to now is 89.9 secs Computing kpt #: 195 total cpu time spent up to now is 90.1 secs Computing kpt #: 196 total cpu time spent up to now is 90.3 secs Computing kpt #: 197 total cpu time spent up to now is 90.6 secs Computing kpt #: 198 total cpu time spent up to now is 90.8 secs Computing kpt #: 199 total cpu time spent up to now is 91.1 secs Computing kpt #: 200 total cpu time spent up to now is 91.3 secs Computing kpt #: 201 total cpu time spent up to now is 91.5 secs Computing kpt #: 202 total cpu time spent up to now is 91.8 secs Computing kpt #: 203 total cpu time spent up to now is 92.0 secs Computing kpt #: 204 total cpu time spent up to now is 92.3 secs Computing kpt #: 205 total cpu time spent up to now is 92.6 secs Computing kpt #: 206 total cpu time spent up to now is 92.9 secs Computing kpt #: 207 total cpu time spent up to now is 93.2 secs Computing kpt #: 208 total cpu time spent up to now is 93.5 secs Computing kpt #: 209 total cpu time spent up to now is 93.8 secs Computing kpt #: 210 total cpu time spent up to now is 94.1 secs Computing kpt #: 211 total cpu time spent up to now is 94.3 secs Computing kpt #: 212 total cpu time spent up to now is 94.6 secs Computing kpt #: 213 total cpu time spent up to now is 94.8 secs Computing kpt #: 214 total cpu time spent up to now is 95.1 secs Computing kpt #: 215 total cpu time spent up to now is 95.6 secs Computing kpt #: 216 total cpu time spent up to now is 96.0 secs Computing kpt #: 217 total cpu time spent up to now is 96.6 secs Computing kpt #: 218 total cpu time spent up to now is 96.9 secs Computing kpt #: 219 total cpu time spent up to now is 97.2 secs Computing kpt #: 220 total cpu time spent up to now is 97.4 secs Computing kpt #: 221 total cpu time spent up to now is 97.7 secs Computing kpt #: 222 total cpu time spent up to now is 97.9 secs Computing kpt #: 223 total cpu time spent up to now is 98.2 secs Computing kpt #: 224 total cpu time spent up to now is 98.5 secs Computing kpt #: 225 total cpu time spent up to now is 98.7 secs Computing kpt #: 226 total cpu time spent up to now is 99.3 secs Computing kpt #: 227 total cpu time spent up to now is 99.5 secs Computing kpt #: 228 total cpu time spent up to now is 100.0 secs Computing kpt #: 229 total cpu time spent up to now is 100.5 secs Computing kpt #: 230 total cpu time spent up to now is 100.9 secs Computing kpt #: 231 total cpu time spent up to now is 101.2 secs Computing kpt #: 232 total cpu time spent up to now is 101.3 secs Computing kpt #: 233 total cpu time spent up to now is 101.5 secs Computing kpt #: 234 total cpu time spent up to now is 101.8 secs Computing kpt #: 235 total cpu time spent up to now is 102.1 secs Computing kpt #: 236 total cpu time spent up to now is 102.3 secs Computing kpt #: 237 total cpu time spent up to now is 102.5 secs Computing kpt #: 238 total cpu time spent up to now is 102.7 secs Computing kpt #: 239 total cpu time spent up to now is 102.9 secs Computing kpt #: 240 total cpu time spent up to now is 103.1 secs Computing kpt #: 241 total cpu time spent up to now is 103.5 secs Computing kpt #: 242 total cpu time spent up to now is 103.8 secs Computing kpt #: 243 total cpu time spent up to now is 104.0 secs Computing kpt #: 244 total cpu time spent up to now is 104.3 secs Computing kpt #: 245 total cpu time spent up to now is 104.7 secs Computing kpt #: 246 total cpu time spent up to now is 105.0 secs Computing kpt #: 247 total cpu time spent up to now is 105.3 secs Computing kpt #: 248 total cpu time spent up to now is 106.5 secs Computing kpt #: 249 total cpu time spent up to now is 106.9 secs Computing kpt #: 250 total cpu time spent up to now is 107.3 secs Computing kpt #: 251 total cpu time spent up to now is 107.7 secs Computing kpt #: 252 total cpu time spent up to now is 108.3 secs Computing kpt #: 253 total cpu time spent up to now is 108.6 secs Computing kpt #: 254 total cpu time spent up to now is 108.9 secs Computing kpt #: 255 total cpu time spent up to now is 109.5 secs Computing kpt #: 256 total cpu time spent up to now is 109.8 secs Computing kpt #: 257 total cpu time spent up to now is 110.0 secs Computing kpt #: 258 total cpu time spent up to now is 110.3 secs Computing kpt #: 259 total cpu time spent up to now is 110.5 secs Computing kpt #: 260 total cpu time spent up to now is 110.8 secs Computing kpt #: 261 total cpu time spent up to now is 111.1 secs Computing kpt #: 262 total cpu time spent up to now is 111.3 secs Computing kpt #: 263 total cpu time spent up to now is 111.5 secs Computing kpt #: 264 total cpu time spent up to now is 111.7 secs Computing kpt #: 265 total cpu time spent up to now is 112.5 secs Computing kpt #: 266 total cpu time spent up to now is 112.6 secs Computing kpt #: 267 total cpu time spent up to now is 112.8 secs Computing kpt #: 268 total cpu time spent up to now is 113.2 secs Computing kpt #: 269 total cpu time spent up to now is 113.4 secs Computing kpt #: 270 total cpu time spent up to now is 113.6 secs Computing kpt #: 271 total cpu time spent up to now is 114.1 secs Computing kpt #: 272 total cpu time spent up to now is 114.6 secs Computing kpt #: 273 total cpu time spent up to now is 115.0 secs Computing kpt #: 274 total cpu time spent up to now is 115.6 secs Computing kpt #: 275 total cpu time spent up to now is 116.5 secs Computing kpt #: 276 total cpu time spent up to now is 116.8 secs Computing kpt #: 277 total cpu time spent up to now is 117.3 secs Computing kpt #: 278 total cpu time spent up to now is 117.5 secs Computing kpt #: 279 total cpu time spent up to now is 117.7 secs Computing kpt #: 280 total cpu time spent up to now is 117.9 secs Computing kpt #: 281 total cpu time spent up to now is 118.1 secs Computing kpt #: 282 total cpu time spent up to now is 118.3 secs Computing kpt #: 283 total cpu time spent up to now is 118.7 secs Computing kpt #: 284 total cpu time spent up to now is 118.9 secs Computing kpt #: 285 total cpu time spent up to now is 119.2 secs Computing kpt #: 286 total cpu time spent up to now is 119.4 secs Computing kpt #: 287 total cpu time spent up to now is 119.6 secs Computing kpt #: 288 total cpu time spent up to now is 119.7 secs Computing kpt #: 289 total cpu time spent up to now is 119.9 secs Computing kpt #: 290 total cpu time spent up to now is 120.1 secs Computing kpt #: 291 total cpu time spent up to now is 120.2 secs Computing kpt #: 292 total cpu time spent up to now is 120.4 secs Computing kpt #: 293 total cpu time spent up to now is 120.7 secs Computing kpt #: 294 total cpu time spent up to now is 120.8 secs Computing kpt #: 295 total cpu time spent up to now is 121.0 secs Computing kpt #: 296 total cpu time spent up to now is 121.1 secs Computing kpt #: 297 total cpu time spent up to now is 121.2 secs Computing kpt #: 298 total cpu time spent up to now is 121.9 secs Computing kpt #: 299 total cpu time spent up to now is 122.1 secs Computing kpt #: 300 total cpu time spent up to now is 122.6 secs Computing kpt #: 301 total cpu time spent up to now is 122.9 secs Computing kpt #: 302 total cpu time spent up to now is 123.1 secs Computing kpt #: 303 total cpu time spent up to now is 123.3 secs Computing kpt #: 304 total cpu time spent up to now is 123.6 secs Computing kpt #: 305 total cpu time spent up to now is 123.8 secs Computing kpt #: 306 total cpu time spent up to now is 124.0 secs Computing kpt #: 307 total cpu time spent up to now is 124.2 secs Computing kpt #: 308 total cpu time spent up to now is 124.6 secs Computing kpt #: 309 total cpu time spent up to now is 124.9 secs Computing kpt #: 310 total cpu time spent up to now is 125.3 secs Computing kpt #: 311 total cpu time spent up to now is 126.0 secs Computing kpt #: 312 total cpu time spent up to now is 126.3 secs Computing kpt #: 313 total cpu time spent up to now is 126.5 secs Computing kpt #: 314 total cpu time spent up to now is 126.8 secs Computing kpt #: 315 total cpu time spent up to now is 127.1 secs Computing kpt #: 316 total cpu time spent up to now is 127.2 secs Computing kpt #: 317 total cpu time spent up to now is 127.4 secs Computing kpt #: 318 total cpu time spent up to now is 127.6 secs Computing kpt #: 319 total cpu time spent up to now is 127.8 secs Computing kpt #: 320 total cpu time spent up to now is 127.9 secs Computing kpt #: 321 total cpu time spent up to now is 128.0 secs Computing kpt #: 322 total cpu time spent up to now is 128.2 secs Computing kpt #: 323 total cpu time spent up to now is 128.4 secs Computing kpt #: 324 total cpu time spent up to now is 128.5 secs Computing kpt #: 325 total cpu time spent up to now is 128.7 secs Computing kpt #: 326 total cpu time spent up to now is 128.9 secs Computing kpt #: 327 total cpu time spent up to now is 129.0 secs Computing kpt #: 328 total cpu time spent up to now is 129.1 secs Computing kpt #: 329 total cpu time spent up to now is 129.3 secs Computing kpt #: 330 total cpu time spent up to now is 129.4 secs Computing kpt #: 331 total cpu time spent up to now is 129.5 secs Computing kpt #: 332 total cpu time spent up to now is 129.7 secs Computing kpt #: 333 total cpu time spent up to now is 129.8 secs Computing kpt #: 334 total cpu time spent up to now is 130.0 secs Computing kpt #: 335 total cpu time spent up to now is 130.2 secs Computing kpt #: 336 total cpu time spent up to now is 130.3 secs Computing kpt #: 337 total cpu time spent up to now is 130.5 secs Computing kpt #: 338 total cpu time spent up to now is 130.8 secs Computing kpt #: 339 total cpu time spent up to now is 131.2 secs Computing kpt #: 340 total cpu time spent up to now is 131.6 secs Computing kpt #: 341 total cpu time spent up to now is 132.1 secs Computing kpt #: 342 total cpu time spent up to now is 132.5 secs Computing kpt #: 343 total cpu time spent up to now is 132.7 secs Computing kpt #: 344 total cpu time spent up to now is 133.0 secs Computing kpt #: 345 total cpu time spent up to now is 133.2 secs Computing kpt #: 346 total cpu time spent up to now is 133.7 secs Computing kpt #: 347 total cpu time spent up to now is 133.9 secs Computing kpt #: 348 total cpu time spent up to now is 134.1 secs Computing kpt #: 349 total cpu time spent up to now is 134.2 secs Computing kpt #: 350 total cpu time spent up to now is 134.4 secs Computing kpt #: 351 total cpu time spent up to now is 134.6 secs Computing kpt #: 352 total cpu time spent up to now is 134.8 secs Computing kpt #: 353 total cpu time spent up to now is 135.3 secs Computing kpt #: 354 total cpu time spent up to now is 135.5 secs Computing kpt #: 355 total cpu time spent up to now is 135.6 secs Computing kpt #: 356 total cpu time spent up to now is 135.8 secs Computing kpt #: 357 total cpu time spent up to now is 136.2 secs Computing kpt #: 358 total cpu time spent up to now is 136.4 secs Computing kpt #: 359 total cpu time spent up to now is 137.3 secs Computing kpt #: 360 total cpu time spent up to now is 137.5 secs Computing kpt #: 361 total cpu time spent up to now is 137.7 secs Computing kpt #: 362 total cpu time spent up to now is 137.9 secs Computing kpt #: 363 total cpu time spent up to now is 138.6 secs Computing kpt #: 364 total cpu time spent up to now is 138.8 secs Computing kpt #: 365 total cpu time spent up to now is 139.0 secs Computing kpt #: 366 total cpu time spent up to now is 139.1 secs Computing kpt #: 367 total cpu time spent up to now is 139.2 secs Computing kpt #: 368 total cpu time spent up to now is 139.3 secs Computing kpt #: 369 total cpu time spent up to now is 139.5 secs Computing kpt #: 370 total cpu time spent up to now is 139.6 secs Computing kpt #: 371 total cpu time spent up to now is 139.7 secs Computing kpt #: 372 total cpu time spent up to now is 139.9 secs Computing kpt #: 373 total cpu time spent up to now is 140.0 secs Computing kpt #: 374 total cpu time spent up to now is 140.2 secs Computing kpt #: 375 total cpu time spent up to now is 140.3 secs Computing kpt #: 376 total cpu time spent up to now is 140.5 secs Computing kpt #: 377 total cpu time spent up to now is 140.6 secs Computing kpt #: 378 total cpu time spent up to now is 140.8 secs Computing kpt #: 379 total cpu time spent up to now is 140.9 secs Computing kpt #: 380 total cpu time spent up to now is 141.1 secs Computing kpt #: 381 total cpu time spent up to now is 141.3 secs Computing kpt #: 382 total cpu time spent up to now is 141.5 secs Computing kpt #: 383 total cpu time spent up to now is 141.7 secs Computing kpt #: 384 total cpu time spent up to now is 141.9 secs Computing kpt #: 385 total cpu time spent up to now is 142.1 secs Computing kpt #: 386 total cpu time spent up to now is 142.3 secs Computing kpt #: 387 total cpu time spent up to now is 142.7 secs Computing kpt #: 388 total cpu time spent up to now is 143.0 secs Computing kpt #: 389 total cpu time spent up to now is 143.6 secs Computing kpt #: 390 total cpu time spent up to now is 144.1 secs Computing kpt #: 391 total cpu time spent up to now is 144.4 secs Computing kpt #: 392 total cpu time spent up to now is 144.6 secs Computing kpt #: 393 total cpu time spent up to now is 144.8 secs Computing kpt #: 394 total cpu time spent up to now is 145.1 secs Computing kpt #: 395 total cpu time spent up to now is 145.3 secs Computing kpt #: 396 total cpu time spent up to now is 145.4 secs Computing kpt #: 397 total cpu time spent up to now is 145.6 secs Computing kpt #: 398 total cpu time spent up to now is 145.9 secs Computing kpt #: 399 total cpu time spent up to now is 146.2 secs Computing kpt #: 400 total cpu time spent up to now is 146.5 secs Computing kpt #: 401 total cpu time spent up to now is 146.7 secs Computing kpt #: 402 total cpu time spent up to now is 146.9 secs Computing kpt #: 403 total cpu time spent up to now is 147.1 secs Computing kpt #: 404 total cpu time spent up to now is 147.3 secs Computing kpt #: 405 total cpu time spent up to now is 147.9 secs Computing kpt #: 406 total cpu time spent up to now is 148.2 secs Computing kpt #: 407 total cpu time spent up to now is 148.3 secs Computing kpt #: 408 total cpu time spent up to now is 148.4 secs Computing kpt #: 409 total cpu time spent up to now is 148.6 secs Computing kpt #: 410 total cpu time spent up to now is 148.7 secs Computing kpt #: 411 total cpu time spent up to now is 148.8 secs Computing kpt #: 412 total cpu time spent up to now is 149.0 secs Computing kpt #: 413 total cpu time spent up to now is 149.1 secs Computing kpt #: 414 total cpu time spent up to now is 149.2 secs Computing kpt #: 415 total cpu time spent up to now is 149.4 secs Computing kpt #: 416 total cpu time spent up to now is 149.5 secs Computing kpt #: 417 total cpu time spent up to now is 149.6 secs Computing kpt #: 418 total cpu time spent up to now is 149.8 secs Computing kpt #: 419 total cpu time spent up to now is 149.9 secs Computing kpt #: 420 total cpu time spent up to now is 150.1 secs Computing kpt #: 421 total cpu time spent up to now is 150.2 secs Computing kpt #: 422 total cpu time spent up to now is 150.4 secs Computing kpt #: 423 total cpu time spent up to now is 150.6 secs Computing kpt #: 424 total cpu time spent up to now is 150.8 secs Computing kpt #: 425 total cpu time spent up to now is 151.3 secs Computing kpt #: 426 total cpu time spent up to now is 151.5 secs Computing kpt #: 427 total cpu time spent up to now is 151.8 secs Computing kpt #: 428 total cpu time spent up to now is 152.0 secs Computing kpt #: 429 total cpu time spent up to now is 152.5 secs Computing kpt #: 430 total cpu time spent up to now is 152.7 secs Computing kpt #: 431 total cpu time spent up to now is 153.1 secs Computing kpt #: 432 total cpu time spent up to now is 153.3 secs Computing kpt #: 433 total cpu time spent up to now is 153.5 secs Computing kpt #: 434 total cpu time spent up to now is 153.8 secs Computing kpt #: 435 total cpu time spent up to now is 154.1 secs Computing kpt #: 436 total cpu time spent up to now is 154.3 secs Computing kpt #: 437 total cpu time spent up to now is 154.6 secs Computing kpt #: 438 total cpu time spent up to now is 154.8 secs Computing kpt #: 439 total cpu time spent up to now is 155.0 secs Computing kpt #: 440 total cpu time spent up to now is 155.7 secs Computing kpt #: 441 total cpu time spent up to now is 155.9 secs Computing kpt #: 442 total cpu time spent up to now is 156.1 secs Computing kpt #: 443 total cpu time spent up to now is 156.5 secs Computing kpt #: 444 total cpu time spent up to now is 156.8 secs Computing kpt #: 445 total cpu time spent up to now is 157.5 secs Computing kpt #: 446 total cpu time spent up to now is 157.8 secs Computing kpt #: 447 total cpu time spent up to now is 158.0 secs Computing kpt #: 448 total cpu time spent up to now is 158.4 secs Computing kpt #: 449 total cpu time spent up to now is 158.5 secs Computing kpt #: 450 total cpu time spent up to now is 158.7 secs Computing kpt #: 451 total cpu time spent up to now is 158.8 secs Computing kpt #: 452 total cpu time spent up to now is 158.9 secs Computing kpt #: 453 total cpu time spent up to now is 159.0 secs Computing kpt #: 454 total cpu time spent up to now is 159.2 secs Computing kpt #: 455 total cpu time spent up to now is 159.3 secs Computing kpt #: 456 total cpu time spent up to now is 159.4 secs Computing kpt #: 457 total cpu time spent up to now is 159.6 secs Computing kpt #: 458 total cpu time spent up to now is 159.7 secs Computing kpt #: 459 total cpu time spent up to now is 159.8 secs Computing kpt #: 460 total cpu time spent up to now is 159.9 secs Computing kpt #: 461 total cpu time spent up to now is 160.8 secs Computing kpt #: 462 total cpu time spent up to now is 161.2 secs Computing kpt #: 463 total cpu time spent up to now is 161.6 secs Computing kpt #: 464 total cpu time spent up to now is 162.0 secs Computing kpt #: 465 total cpu time spent up to now is 162.2 secs Computing kpt #: 466 total cpu time spent up to now is 162.4 secs Computing kpt #: 467 total cpu time spent up to now is 162.6 secs Computing kpt #: 468 total cpu time spent up to now is 162.8 secs Computing kpt #: 469 total cpu time spent up to now is 163.0 secs Computing kpt #: 470 total cpu time spent up to now is 163.3 secs Computing kpt #: 471 total cpu time spent up to now is 163.4 secs Computing kpt #: 472 total cpu time spent up to now is 163.6 secs Computing kpt #: 473 total cpu time spent up to now is 164.0 secs Computing kpt #: 474 total cpu time spent up to now is 164.4 secs Computing kpt #: 475 total cpu time spent up to now is 164.5 secs Computing kpt #: 476 total cpu time spent up to now is 164.7 secs Computing kpt #: 477 total cpu time spent up to now is 164.9 secs Computing kpt #: 478 total cpu time spent up to now is 165.1 secs Computing kpt #: 479 total cpu time spent up to now is 165.4 secs Computing kpt #: 480 total cpu time spent up to now is 165.7 secs Computing kpt #: 481 total cpu time spent up to now is 166.0 secs Computing kpt #: 482 total cpu time spent up to now is 166.2 secs Computing kpt #: 483 total cpu time spent up to now is 166.3 secs Computing kpt #: 484 total cpu time spent up to now is 166.4 secs Computing kpt #: 485 total cpu time spent up to now is 166.6 secs Computing kpt #: 486 total cpu time spent up to now is 166.7 secs Computing kpt #: 487 total cpu time spent up to now is 166.8 secs Computing kpt #: 488 total cpu time spent up to now is 167.0 secs Computing kpt #: 489 total cpu time spent up to now is 167.1 secs Computing kpt #: 490 total cpu time spent up to now is 167.3 secs Computing kpt #: 491 total cpu time spent up to now is 167.4 secs Computing kpt #: 492 total cpu time spent up to now is 167.6 secs Computing kpt #: 493 total cpu time spent up to now is 167.8 secs Computing kpt #: 494 total cpu time spent up to now is 168.0 secs Computing kpt #: 495 total cpu time spent up to now is 168.3 secs Computing kpt #: 496 total cpu time spent up to now is 168.4 secs Computing kpt #: 497 total cpu time spent up to now is 168.5 secs Computing kpt #: 498 total cpu time spent up to now is 168.7 secs Computing kpt #: 499 total cpu time spent up to now is 168.8 secs Computing kpt #: 500 total cpu time spent up to now is 169.3 secs Computing kpt #: 501 total cpu time spent up to now is 169.6 secs Computing kpt #: 502 total cpu time spent up to now is 169.8 secs Computing kpt #: 503 total cpu time spent up to now is 170.0 secs Computing kpt #: 504 total cpu time spent up to now is 170.4 secs Computing kpt #: 505 total cpu time spent up to now is 170.6 secs Computing kpt #: 506 total cpu time spent up to now is 170.8 secs Computing kpt #: 507 total cpu time spent up to now is 171.4 secs Computing kpt #: 508 total cpu time spent up to now is 171.9 secs Computing kpt #: 509 total cpu time spent up to now is 172.7 secs Computing kpt #: 510 total cpu time spent up to now is 173.1 secs Computing kpt #: 511 total cpu time spent up to now is 173.5 secs Computing kpt #: 512 total cpu time spent up to now is 173.7 secs Computing kpt #: 513 total cpu time spent up to now is 174.3 secs Computing kpt #: 514 total cpu time spent up to now is 174.6 secs Computing kpt #: 515 total cpu time spent up to now is 175.1 secs Computing kpt #: 516 total cpu time spent up to now is 175.3 secs Computing kpt #: 517 total cpu time spent up to now is 175.5 secs Computing kpt #: 518 total cpu time spent up to now is 175.6 secs Computing kpt #: 519 total cpu time spent up to now is 175.8 secs Computing kpt #: 520 total cpu time spent up to now is 176.0 secs Computing kpt #: 521 total cpu time spent up to now is 176.2 secs Computing kpt #: 522 total cpu time spent up to now is 176.4 secs Computing kpt #: 523 total cpu time spent up to now is 176.6 secs Computing kpt #: 524 total cpu time spent up to now is 176.8 secs Computing kpt #: 525 total cpu time spent up to now is 177.0 secs Computing kpt #: 526 total cpu time spent up to now is 177.2 secs Computing kpt #: 527 total cpu time spent up to now is 177.3 secs Computing kpt #: 528 total cpu time spent up to now is 177.5 secs Computing kpt #: 529 total cpu time spent up to now is 177.7 secs Computing kpt #: 530 total cpu time spent up to now is 178.0 secs Computing kpt #: 531 total cpu time spent up to now is 178.3 secs Computing kpt #: 532 total cpu time spent up to now is 178.9 secs Computing kpt #: 533 total cpu time spent up to now is 179.1 secs Computing kpt #: 534 total cpu time spent up to now is 179.4 secs Computing kpt #: 535 total cpu time spent up to now is 179.7 secs Computing kpt #: 536 total cpu time spent up to now is 180.0 secs Computing kpt #: 537 total cpu time spent up to now is 180.7 secs Computing kpt #: 538 total cpu time spent up to now is 181.1 secs Computing kpt #: 539 total cpu time spent up to now is 181.4 secs Computing kpt #: 540 total cpu time spent up to now is 181.7 secs Computing kpt #: 541 total cpu time spent up to now is 181.9 secs Computing kpt #: 542 total cpu time spent up to now is 182.1 secs Computing kpt #: 543 total cpu time spent up to now is 182.3 secs Computing kpt #: 544 total cpu time spent up to now is 182.5 secs Computing kpt #: 545 total cpu time spent up to now is 182.8 secs Computing kpt #: 546 total cpu time spent up to now is 183.0 secs Computing kpt #: 547 total cpu time spent up to now is 183.3 secs ethr = 1.25E-10, avg # of iterations = 26.9 total cpu time spent up to now is 183.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -14.2703 -14.2703 -1.2046 -1.2046 -1.0838 -1.0838 -1.0119 -1.0119 -0.9325 -0.9325 10.4755 10.4755 11.1693 11.1693 11.6872 11.6872 k = 0.0085-0.0055 0.0071 ( 1363 PWs) bands (ev): -14.2699 -14.2699 -1.2108 -1.2108 -1.1295 -1.1295 -0.9774 -0.9774 -0.9162 -0.9162 10.4743 10.4743 11.1713 11.1713 11.6825 11.6825 k = 0.0169-0.0111 0.0143 ( 1355 PWs) bands (ev): -14.2687 -14.2687 -1.2464 -1.2464 -1.1748 -1.1748 -0.9612 -0.9612 -0.8543 -0.8543 10.4706 10.4706 11.1772 11.1772 11.6684 11.6684 k = 0.0254-0.0166 0.0214 ( 1353 PWs) bands (ev): -14.2667 -14.2667 -1.3177 -1.3177 -1.1895 -1.1895 -0.9595 -0.9595 -0.7751 -0.7751 10.4642 10.4642 11.1871 11.1871 11.6453 11.6453 k = 0.0339-0.0222 0.0286 ( 1353 PWs) bands (ev): -14.2639 -14.2639 -1.3980 -1.3980 -1.1972 -1.1972 -0.9609 -0.9609 -0.6928 -0.6928 10.4551 10.4551 11.2009 11.2009 11.6136 11.6136 k = 0.0424-0.0277 0.0357 ( 1355 PWs) bands (ev): -14.2603 -14.2603 -1.4799 -1.4799 -1.2045 -1.2045 -0.9637 -0.9637 -0.6101 -0.6101 10.4429 10.4429 11.2185 11.2185 11.5737 11.5737 k = 0.0508-0.0333 0.0429 ( 1359 PWs) bands (ev): -14.2560 -14.2560 -1.5617 -1.5617 -1.2125 -1.2125 -0.9675 -0.9675 -0.5280 -0.5280 10.4273 10.4273 11.2401 11.2401 11.5265 11.5265 k = 0.0593-0.0388 0.0500 ( 1359 PWs) bands (ev): -14.2508 -14.2508 -1.6429 -1.6429 -1.2216 -1.2216 -0.9721 -0.9721 -0.4470 -0.4470 10.4079 10.4079 11.2655 11.2655 11.4725 11.4725 k = 0.0678-0.0444 0.0572 ( 1363 PWs) bands (ev): -14.2450 -14.2450 -1.7231 -1.7231 -1.2317 -1.2317 -0.9774 -0.9774 -0.3675 -0.3675 10.3845 10.3845 11.2946 11.2946 11.4126 11.4126 k = 0.0763-0.0499 0.0643 ( 1363 PWs) bands (ev): -14.2384 -14.2384 -1.8021 -1.8021 -1.2430 -1.2430 -0.9835 -0.9835 -0.2898 -0.2898 10.3567 10.3567 11.3275 11.3275 11.3475 11.3475 k = 0.0847-0.0555 0.0715 ( 1363 PWs) bands (ev): -14.2310 -14.2310 -1.8797 -1.8797 -1.2554 -1.2554 -0.9902 -0.9902 -0.2145 -0.2145 10.3242 10.3242 11.2779 11.2779 11.3642 11.3642 k = 0.0932-0.0610 0.0786 ( 1367 PWs) bands (ev): -14.2230 -14.2230 -1.9558 -1.9558 -1.2689 -1.2689 -0.9975 -0.9975 -0.1419 -0.1419 10.2871 10.2871 11.2045 11.2045 11.4044 11.4044 k = 0.1017-0.0665 0.0857 ( 1367 PWs) bands (ev): -14.2143 -14.2143 -2.0302 -2.0302 -1.2834 -1.2834 -1.0055 -1.0055 -0.0722 -0.0722 10.2455 10.2455 11.1279 11.1279 11.4482 11.4482 k = 0.1102-0.0721 0.0929 ( 1367 PWs) bands (ev): -14.2049 -14.2049 -2.1028 -2.1028 -1.2990 -1.2990 -1.0140 -1.0140 -0.0058 -0.0058 10.1999 10.1999 11.0488 11.0488 11.4955 11.4955 k = 0.1186-0.0776 0.1000 ( 1367 PWs) bands (ev): -14.1949 -14.1949 -2.1735 -2.1735 -1.3155 -1.3155 -1.0231 -1.0231 0.0567 0.0567 10.1507 10.1507 10.9677 10.9677 11.5463 11.5463 k = 0.1271-0.0832 0.1072 ( 1365 PWs) bands (ev): -14.1843 -14.1843 -2.2422 -2.2422 -1.3329 -1.3329 -1.0327 -1.0327 0.1153 0.1153 10.0991 10.0991 10.8850 10.8850 11.6004 11.6004 k = 0.1356-0.0887 0.1143 ( 1365 PWs) bands (ev): -14.1731 -14.1731 -2.3088 -2.3088 -1.3511 -1.3511 -1.0428 -1.0428 0.1693 0.1693 10.0460 10.0460 10.8013 10.8013 11.6579 11.6579 k = 0.1441-0.0943 0.1215 ( 1369 PWs) bands (ev): -14.1613 -14.1613 -2.3733 -2.3733 -1.3701 -1.3701 -1.0534 -1.0534 0.2185 0.2185 9.9926 9.9926 10.7169 10.7169 11.7185 11.7185 k = 0.1525-0.0998 0.1286 ( 1369 PWs) bands (ev): -14.1491 -14.1491 -2.4354 -2.4354 -1.3898 -1.3898 -1.0643 -1.0643 0.2625 0.2625 9.9403 9.9403 10.6322 10.6322 11.7823 11.7823 k = 0.1610-0.1054 0.1358 ( 1369 PWs) bands (ev): -14.1363 -14.1363 -2.4953 -2.4953 -1.4101 -1.4101 -1.0757 -1.0757 0.3011 0.3011 9.8903 9.8903 10.5475 10.5475 11.8492 11.8492 k = 0.1695-0.1109 0.1429 ( 1361 PWs) bands (ev): -14.1231 -14.1231 -2.5527 -2.5527 -1.4310 -1.4310 -1.0874 -1.0874 0.3339 0.3339 9.8438 9.8438 10.4630 10.4630 11.9190 11.9190 k = 0.1780-0.1165 0.1500 ( 1365 PWs) bands (ev): -14.1094 -14.1094 -2.6076 -2.6076 -1.4524 -1.4524 -1.0995 -1.0995 0.3607 0.3607 9.8019 9.8019 10.3791 10.3791 11.9915 11.9915 k = 0.1864-0.1220 0.1572 ( 1373 PWs) bands (ev): -14.0954 -14.0954 -2.6601 -2.6601 -1.4742 -1.4742 -1.1118 -1.1118 0.3812 0.3812 9.7656 9.7656 10.2959 10.2959 12.0396 12.0396 k = 0.1949-0.1276 0.1643 ( 1373 PWs) bands (ev): -14.0810 -14.0810 -2.7099 -2.7099 -1.4964 -1.4964 -1.1244 -1.1244 0.3954 0.3954 9.7357 9.7357 10.2136 10.2136 12.0529 12.0529 k = 0.2034-0.1331 0.1715 ( 1375 PWs) bands (ev): -14.0663 -14.0663 -2.7571 -2.7571 -1.5189 -1.5189 -1.1372 -1.1372 0.4030 0.4030 9.7129 9.7129 10.1325 10.1325 12.0687 12.0687 k = 0.2119-0.1386 0.1786 ( 1375 PWs) bands (ev): -14.0513 -14.0513 -2.8017 -2.8017 -1.5416 -1.5416 -1.1501 -1.1501 0.4040 0.4040 9.6978 9.6978 10.0526 10.0526 12.0874 12.0874 k = 0.2203-0.1442 0.1858 ( 1375 PWs) bands (ev): -14.0361 -14.0361 -2.8434 -2.8434 -1.5644 -1.5644 -1.1632 -1.1632 0.3984 0.3984 9.6907 9.6907 9.9742 9.9742 12.1089 12.1089 k = 0.2288-0.1497 0.1929 ( 1377 PWs) bands (ev): -14.0208 -14.0208 -2.8825 -2.8825 -1.5874 -1.5874 -1.1764 -1.1764 0.3863 0.3863 9.6919 9.6919 9.8972 9.8972 12.1332 12.1332 k = 0.2373-0.1553 0.2001 ( 1373 PWs) bands (ev): -14.0052 -14.0052 -2.9187 -2.9187 -1.6103 -1.6103 -1.1897 -1.1897 0.3679 0.3679 9.7017 9.7017 9.8220 9.8220 12.1606 12.1606 k = 0.2458-0.1608 0.2072 ( 1369 PWs) bands (ev): -13.9896 -13.9896 -2.9520 -2.9520 -1.6332 -1.6332 -1.2030 -1.2030 0.3432 0.3432 9.7199 9.7199 9.7485 9.7485 12.1908 12.1908 k = 0.2542-0.1664 0.2144 ( 1369 PWs) bands (ev): -13.9740 -13.9740 -2.9826 -2.9826 -1.6559 -1.6559 -1.2163 -1.2163 0.3125 0.3125 9.6768 9.6768 9.7465 9.7465 12.2240 12.2240 k = 0.2627-0.1719 0.2215 ( 1373 PWs) bands (ev): -13.9583 -13.9583 -3.0103 -3.0103 -1.6785 -1.6785 -1.2295 -1.2295 0.2761 0.2761 9.6070 9.6070 9.7814 9.7814 12.2601 12.2601 k = 0.2712-0.1775 0.2286 ( 1373 PWs) bands (ev): -13.9426 -13.9426 -3.0351 -3.0351 -1.7009 -1.7009 -1.2426 -1.2426 0.2344 0.2344 9.5393 9.5393 9.8243 9.8243 12.2991 12.2991 k = 0.2797-0.1830 0.2358 ( 1373 PWs) bands (ev): -13.9271 -13.9271 -3.0571 -3.0571 -1.7229 -1.7229 -1.2557 -1.2557 0.1877 0.1877 9.4736 9.4736 9.8748 9.8748 12.3409 12.3409 k = 0.2881-0.1886 0.2429 ( 1373 PWs) bands (ev): -13.9116 -13.9116 -3.0762 -3.0762 -1.7446 -1.7446 -1.2685 -1.2685 0.1365 0.1365 9.4100 9.4100 9.9327 9.9327 12.3856 12.3856 k = 0.2966-0.1941 0.2501 ( 1377 PWs) bands (ev): -13.8964 -13.8964 -3.0925 -3.0925 -1.7659 -1.7659 -1.2812 -1.2812 0.0810 0.0810 9.3486 9.3486 9.9973 9.9973 12.4331 12.4331 k = 0.3051-0.1996 0.2572 ( 1381 PWs) bands (ev): -13.8813 -13.8813 -3.1060 -3.1060 -1.7867 -1.7867 -1.2936 -1.2936 0.0219 0.0219 9.2895 9.2895 10.0682 10.0682 12.4833 12.4833 k = 0.3136-0.2052 0.2644 ( 1381 PWs) bands (ev): -13.8665 -13.8665 -3.1166 -3.1166 -1.8070 -1.8070 -1.3058 -1.3058 -0.0404 -0.0404 9.2326 9.2326 10.1449 10.1449 12.5361 12.5361 k = 0.3220-0.2107 0.2715 ( 1377 PWs) bands (ev): -13.8520 -13.8520 -3.1246 -3.1246 -1.8268 -1.8268 -1.3177 -1.3177 -0.1055 -0.1055 9.1780 9.1780 10.2267 10.2267 12.5914 12.5914 k = 0.3305-0.2163 0.2787 ( 1379 PWs) bands (ev): -13.8379 -13.8379 -3.1299 -3.1299 -1.8459 -1.8459 -1.3292 -1.3292 -0.1728 -0.1728 9.1257 9.1257 10.3131 10.3131 12.6492 12.6492 k = 0.3390-0.2218 0.2858 ( 1383 PWs) bands (ev): -13.8241 -13.8241 -3.1326 -3.1326 -1.8644 -1.8644 -1.3404 -1.3404 -0.2419 -0.2419 9.0758 9.0758 10.4033 10.4033 12.7093 12.7093 k = 0.3475-0.2274 0.2930 ( 1379 PWs) bands (ev): -13.8108 -13.8108 -3.1328 -3.1328 -1.8821 -1.8821 -1.3512 -1.3512 -0.3122 -0.3122 9.0284 9.0284 10.4967 10.4967 12.7716 12.7716 k = 0.3559-0.2329 0.3001 ( 1377 PWs) bands (ev): -13.7980 -13.7980 -3.1305 -3.1305 -1.8991 -1.8991 -1.3616 -1.3616 -0.3833 -0.3833 8.9834 8.9834 10.5925 10.5925 12.8359 12.8359 k = 0.3644-0.2385 0.3072 ( 1377 PWs) bands (ev): -13.7856 -13.7856 -3.1261 -3.1261 -1.9154 -1.9154 -1.3716 -1.3716 -0.4547 -0.4547 8.9408 8.9408 10.6901 10.6901 12.9020 12.9020 k = 0.3729-0.2440 0.3144 ( 1377 PWs) bands (ev): -13.7738 -13.7738 -3.1195 -3.1195 -1.9308 -1.9308 -1.3811 -1.3811 -0.5259 -0.5259 8.9007 8.9007 10.7885 10.7885 12.9696 12.9696 k = 0.3814-0.2496 0.3215 ( 1375 PWs) bands (ev): -13.7626 -13.7626 -3.1109 -3.1109 -1.9454 -1.9454 -1.3900 -1.3900 -0.5963 -0.5963 8.8631 8.8631 10.8871 10.8871 13.0386 13.0386 k = 0.3898-0.2551 0.3287 ( 1375 PWs) bands (ev): -13.7520 -13.7520 -3.1007 -3.1007 -1.9591 -1.9591 -1.3985 -1.3985 -0.6655 -0.6655 8.8281 8.8281 10.9849 10.9849 13.1085 13.1085 k = 0.3983-0.2607 0.3358 ( 1375 PWs) bands (ev): -13.7421 -13.7421 -3.0889 -3.0889 -1.9719 -1.9719 -1.4064 -1.4064 -0.7329 -0.7329 8.7955 8.7955 11.0811 11.0811 13.1790 13.1790 k = 0.4068-0.2662 0.3430 ( 1371 PWs) bands (ev): -13.7328 -13.7328 -3.0760 -3.0760 -1.9838 -1.9838 -1.4138 -1.4138 -0.7980 -0.7980 8.7656 8.7656 11.1747 11.1747 13.2496 13.2496 k = 0.4153-0.2717 0.3501 ( 1375 PWs) bands (ev): -13.7242 -13.7242 -3.0621 -3.0621 -1.9947 -1.9947 -1.4206 -1.4206 -0.8603 -0.8603 8.7381 8.7381 11.2649 11.2649 13.3197 13.3197 k = 0.4237-0.2773 0.3573 ( 1369 PWs) bands (ev): -13.7164 -13.7164 -3.0476 -3.0476 -2.0046 -2.0046 -1.4267 -1.4267 -0.9192 -0.9192 8.7133 8.7133 11.3506 11.3506 13.3886 13.3886 k = 0.4322-0.2828 0.3644 ( 1371 PWs) bands (ev): -13.7093 -13.7093 -3.0330 -3.0330 -2.0135 -2.0135 -1.4323 -1.4323 -0.9742 -0.9742 8.6911 8.6911 11.4308 11.4308 13.4556 13.4556 k = 0.4407-0.2884 0.3715 ( 1371 PWs) bands (ev): -13.7030 -13.7030 -3.0186 -3.0186 -2.0214 -2.0214 -1.4372 -1.4372 -1.0246 -1.0246 8.6714 8.6714 11.5047 11.5047 13.5197 13.5197 k = 0.4492-0.2939 0.3787 ( 1379 PWs) bands (ev): -13.6976 -13.6976 -3.0049 -3.0049 -2.0282 -2.0282 -1.4415 -1.4415 -1.0699 -1.0699 8.6544 8.6544 11.5711 11.5711 13.5796 13.5796 k = 0.4576-0.2995 0.3858 ( 1378 PWs) bands (ev): -13.6929 -13.6929 -2.9922 -2.9922 -2.0341 -2.0341 -1.4451 -1.4451 -1.1094 -1.1094 8.6399 8.6399 11.6292 11.6292 13.6342 13.6342 k = 0.4661-0.3050 0.3930 ( 1374 PWs) bands (ev): -13.6890 -13.6890 -2.9811 -2.9811 -2.0388 -2.0388 -1.4481 -1.4481 -1.1427 -1.1427 8.6281 8.6281 11.6781 11.6781 13.6819 13.6819 k = 0.4746-0.3106 0.4001 ( 1374 PWs) bands (ev): -13.6860 -13.6860 -2.9719 -2.9719 -2.0426 -2.0426 -1.4504 -1.4504 -1.1692 -1.1692 8.6189 8.6189 11.7170 11.7170 13.7076 13.7076 k = 0.4831-0.3161 0.4073 ( 1378 PWs) bands (ev): -13.6839 -13.6839 -2.9651 -2.9651 -2.0452 -2.0452 -1.4520 -1.4520 -1.1885 -1.1885 8.6124 8.6124 11.7453 11.7453 13.7201 13.7201 k = 0.4915-0.3217 0.4144 ( 1378 PWs) bands (ev): -13.6826 -13.6826 -2.9609 -2.9609 -2.0468 -2.0468 -1.4530 -1.4530 -1.2003 -1.2003 8.6084 8.6084 11.7625 11.7625 13.7277 13.7277 k = 0.5000-0.3272 0.4216 ( 1378 PWs) bands (ev): -13.6822 -13.6822 -2.9595 -2.9595 -2.0473 -2.0473 -1.4533 -1.4533 -1.2042 -1.2042 8.6071 8.6071 11.7682 11.7682 13.7302 13.7302 k = 0.5000-0.3272 0.4216 ( 1378 PWs) bands (ev): -13.6822 -13.6822 -2.9595 -2.9595 -2.0473 -2.0473 -1.4533 -1.4533 -1.2042 -1.2042 8.6071 8.6071 11.7682 11.7682 13.7302 13.7302 k = 0.5000-0.3174 0.4292 ( 1378 PWs) bands (ev): -13.6822 -13.6822 -2.9587 -2.9587 -2.0573 -2.0573 -1.4546 -1.4546 -1.1923 -1.1923 8.6084 8.6084 11.7659 11.7659 13.7303 13.7303 k = 0.5000-0.3076 0.4368 ( 1378 PWs) bands (ev): -13.6822 -13.6822 -2.9565 -2.9565 -2.0856 -2.0856 -1.4583 -1.4583 -1.1582 -1.1582 8.6124 8.6124 11.7591 11.7591 13.7306 13.7306 k = 0.5000-0.2978 0.4444 ( 1378 PWs) bands (ev): -13.6823 -13.6823 -2.9527 -2.9527 -2.1285 -2.1285 -1.4643 -1.4643 -1.1059 -1.1059 8.6190 8.6190 11.7478 11.7478 13.7308 13.7308 k = 0.5000-0.2881 0.4520 ( 1378 PWs) bands (ev): -13.6824 -13.6824 -2.9474 -2.9474 -2.1816 -2.1816 -1.4725 -1.4725 -1.0400 -1.0400 8.6282 8.6282 11.7320 11.7320 13.7306 13.7306 k = 0.5000-0.2783 0.4595 ( 1374 PWs) bands (ev): -13.6826 -13.6826 -2.9406 -2.9406 -2.2413 -2.2413 -1.4827 -1.4827 -0.9640 -0.9640 8.6399 8.6399 11.7120 11.7120 13.7290 13.7290 k = 0.5000-0.2685 0.4671 ( 1374 PWs) bands (ev): -13.6827 -13.6827 -2.9324 -2.9324 -2.3049 -2.3049 -1.4949 -1.4949 -0.8809 -0.8809 8.6543 8.6543 11.6876 11.6876 13.7246 13.7246 k = 0.5000-0.2587 0.4747 ( 1374 PWs) bands (ev): -13.6830 -13.6830 -2.9227 -2.9227 -2.3704 -2.3704 -1.5092 -1.5092 -0.7926 -0.7926 8.6711 8.6711 11.6593 11.6593 13.7148 13.7148 k = 0.5000-0.2489 0.4823 ( 1374 PWs) bands (ev): -13.6832 -13.6832 -2.9115 -2.9115 -2.4365 -2.4365 -1.5254 -1.5254 -0.7006 -0.7006 8.6904 8.6904 11.6269 11.6269 13.6943 13.6943 k = 0.5000-0.2391 0.4899 ( 1378 PWs) bands (ev): -13.6836 -13.6836 -2.8991 -2.8991 -2.5022 -2.5022 -1.5435 -1.5435 -0.6060 -0.6060 8.7121 8.7121 11.5909 11.5909 13.6535 13.6535 k = 0.5000-0.2293 0.4975 ( 1374 PWs) bands (ev): -13.6840 -13.6840 -2.8853 -2.8853 -2.5667 -2.5667 -1.5634 -1.5634 -0.5097 -0.5097 8.7362 8.7362 11.5512 11.5512 13.5796 13.5796 k = 0.5000-0.2195 0.5051 ( 1374 PWs) bands (ev): -13.6844 -13.6844 -2.8705 -2.8705 -2.6292 -2.6292 -1.5852 -1.5852 -0.4124 -0.4124 8.7625 8.7625 11.5082 11.5082 13.4672 13.4672 k = 0.5000-0.2097 0.5127 ( 1374 PWs) bands (ev): -13.6850 -13.6850 -2.8551 -2.8551 -2.6890 -2.6890 -1.6085 -1.6085 -0.3147 -0.3147 8.7911 8.7911 11.4620 11.4620 13.3259 13.3259 k = 0.5000-0.2000 0.5203 ( 1380 PWs) bands (ev): -13.6856 -13.6856 -2.8411 -2.8411 -2.7438 -2.7438 -1.6335 -1.6335 -0.2171 -0.2171 8.8219 8.8219 11.4128 11.4128 13.1692 13.1692 k = 0.5000-0.1902 0.5279 ( 1382 PWs) bands (ev): -13.6863 -13.6863 -2.8401 -2.8401 -2.7817 -2.7817 -1.6600 -1.6600 -0.1202 -0.1202 8.8547 8.8547 11.3609 11.3609 13.0067 13.0067 k = 0.5000-0.1804 0.5355 ( 1382 PWs) bands (ev): -13.6870 -13.6870 -2.8745 -2.8745 -2.7802 -2.7802 -1.6878 -1.6878 -0.0245 -0.0245 8.8896 8.8896 11.3064 11.3064 12.8434 12.8434 k = 0.5000-0.1706 0.5431 ( 1382 PWs) bands (ev): -13.6879 -13.6879 -2.9211 -2.9211 -2.7623 -2.7623 -1.7170 -1.7170 0.0696 0.0696 8.9264 8.9264 11.2495 11.2495 12.6824 12.6824 k = 0.5000-0.1608 0.5507 ( 1372 PWs) bands (ev): -13.6889 -13.6889 -2.9675 -2.9675 -2.7403 -2.7403 -1.7473 -1.7473 0.1616 0.1616 8.9652 8.9652 11.1905 11.1905 12.5256 12.5256 k = 0.5000-0.1510 0.5583 ( 1372 PWs) bands (ev): -13.6900 -13.6900 -3.0116 -3.0116 -2.7163 -2.7163 -1.7787 -1.7787 0.2510 0.2510 9.0057 9.0057 11.1295 11.1295 12.3742 12.3742 k = 0.5000-0.1412 0.5659 ( 1372 PWs) bands (ev): -13.6912 -13.6912 -3.0528 -3.0528 -2.6907 -2.6907 -1.8110 -1.8110 0.3373 0.3373 9.0479 9.0479 11.0668 11.0668 12.2294 12.2294 k = 0.5000-0.1314 0.5735 ( 1368 PWs) bands (ev): -13.6926 -13.6926 -3.0909 -3.0909 -2.6639 -2.6639 -1.8442 -1.8442 0.4200 0.4200 9.0918 9.0918 11.0025 11.0025 12.0921 12.0921 k = 0.5000-0.1217 0.5811 ( 1368 PWs) bands (ev): -13.6940 -13.6940 -3.1258 -3.1258 -2.6358 -2.6358 -1.8781 -1.8781 0.4986 0.4986 9.1373 9.1373 10.9367 10.9367 11.9628 11.9628 k = 0.5000-0.1119 0.5887 ( 1368 PWs) bands (ev): -13.6956 -13.6956 -3.1572 -3.1572 -2.6067 -2.6067 -1.9127 -1.9127 0.5727 0.5727 9.1843 9.1843 10.8697 10.8697 11.8424 11.8424 k = 0.5000-0.1021 0.5963 ( 1360 PWs) bands (ev): -13.6974 -13.6974 -3.1851 -3.1851 -2.5765 -2.5765 -1.9477 -1.9477 0.6417 0.6417 9.2327 9.2327 10.8017 10.8017 11.7315 11.7315 k = 0.5000-0.0923 0.6039 ( 1358 PWs) bands (ev): -13.6992 -13.6992 -3.2096 -3.2096 -2.5454 -2.5454 -1.9831 -1.9831 0.7051 0.7051 9.2825 9.2825 10.7328 10.7328 11.6306 11.6306 k = 0.5000-0.0825 0.6115 ( 1354 PWs) bands (ev): -13.7012 -13.7012 -3.2304 -3.2304 -2.5135 -2.5135 -2.0189 -2.0189 0.7626 0.7626 9.3335 9.3335 10.6631 10.6631 11.5403 11.5403 k = 0.5000-0.0727 0.6191 ( 1350 PWs) bands (ev): -13.7034 -13.7034 -3.2476 -3.2476 -2.4809 -2.4809 -2.0547 -2.0547 0.8136 0.8136 9.3857 9.3857 10.5928 10.5928 11.4611 11.4611 k = 0.5000-0.0629 0.6267 ( 1350 PWs) bands (ev): -13.7056 -13.7056 -3.2612 -3.2612 -2.4476 -2.4476 -2.0905 -2.0905 0.8578 0.8578 9.4390 9.4390 10.5220 10.5220 11.3935 11.3935 k = 0.5000-0.0531 0.6343 ( 1346 PWs) bands (ev): -13.7081 -13.7081 -3.2710 -3.2710 -2.4139 -2.4139 -2.1261 -2.1261 0.8948 0.8948 9.4934 9.4934 10.4510 10.4510 11.3379 11.3379 k = 0.5000-0.0531 0.6343 ( 1346 PWs) bands (ev): -13.7081 -13.7081 -3.2710 -3.2710 -2.4139 -2.4139 -2.1261 -2.1261 0.8948 0.8948 9.4934 9.4934 10.4510 10.4510 11.3379 11.3379 k = 0.4939-0.0424 0.6343 ( 1348 PWs) bands (ev): -13.7099 -13.7099 -3.2781 -3.2781 -2.3879 -2.3879 -2.1496 -2.1496 0.9162 0.9162 9.5309 9.5309 10.3973 10.3973 11.3103 11.3103 k = 0.4877-0.0318 0.6343 ( 1354 PWs) bands (ev): -13.7119 -13.7119 -3.2881 -3.2881 -2.3568 -2.3568 -2.1718 -2.1718 0.9348 0.9348 9.5685 9.5685 10.3341 10.3341 11.2946 11.2946 k = 0.4816-0.0211 0.6343 ( 1354 PWs) bands (ev): -13.7141 -13.7141 -3.3004 -3.3004 -2.3221 -2.3221 -2.1916 -2.1916 0.9507 0.9507 9.6061 9.6061 10.2629 10.2629 11.2900 11.2900 k = 0.4754-0.0104 0.6343 ( 1356 PWs) bands (ev): -13.7164 -13.7164 -3.3145 -3.3145 -2.2888 -2.2888 -2.2048 -2.2048 0.9636 0.9636 9.6434 9.6434 10.1856 10.1856 11.2954 11.2954 k = 0.4693 0.0003 0.6343 ( 1356 PWs) bands (ev): -13.7189 -13.7189 -3.3300 -3.3300 -2.2721 -2.2721 -2.1967 -2.1967 0.9734 0.9734 9.6802 9.6802 10.1042 10.1042 11.3095 11.3095 k = 0.4631 0.0110 0.6343 ( 1356 PWs) bands (ev): -13.7214 -13.7214 -3.3463 -3.3463 -2.2793 -2.2793 -2.1607 -2.1607 0.9801 0.9801 9.7162 9.7162 10.0204 10.0204 11.3312 11.3312 k = 0.4570 0.0217 0.6343 ( 1360 PWs) bands (ev): -13.7240 -13.7240 -3.3630 -3.3630 -2.2947 -2.2947 -2.1132 -2.1132 0.9837 0.9837 9.7513 9.7513 9.9359 9.9359 11.3595 11.3595 k = 0.4508 0.0324 0.6343 ( 1362 PWs) bands (ev): -13.7266 -13.7266 -3.3798 -3.3798 -2.3117 -2.3117 -2.0612 -2.0612 0.9842 0.9842 9.7840 9.7840 9.8530 9.8530 11.3935 11.3935 k = 0.4447 0.0431 0.6343 ( 1363 PWs) bands (ev): -13.7292 -13.7292 -3.3963 -3.3963 -2.3287 -2.3287 -2.0069 -2.0069 0.9815 0.9815 9.7640 9.7640 9.8229 9.8229 11.4326 11.4326 k = 0.4386 0.0538 0.6343 ( 1363 PWs) bands (ev): -13.7317 -13.7317 -3.4123 -3.4123 -2.3453 -2.3453 -1.9514 -1.9514 0.9758 0.9758 9.6852 9.6852 9.8525 9.8525 11.4761 11.4761 k = 0.4324 0.0645 0.6343 ( 1363 PWs) bands (ev): -13.7341 -13.7341 -3.4276 -3.4276 -2.3610 -2.3610 -1.8954 -1.8954 0.9671 0.9671 9.6077 9.6077 9.8823 9.8823 11.5234 11.5234 k = 0.4263 0.0752 0.6343 ( 1363 PWs) bands (ev): -13.7365 -13.7365 -3.4421 -3.4421 -2.3759 -2.3759 -1.8396 -1.8396 0.9557 0.9557 9.5336 9.5336 9.9106 9.9106 11.5740 11.5740 k = 0.4201 0.0859 0.6343 ( 1369 PWs) bands (ev): -13.7387 -13.7387 -3.4555 -3.4555 -2.3899 -2.3899 -1.7845 -1.7845 0.9417 0.9417 9.4636 9.4636 9.9370 9.9370 11.6272 11.6272 k = 0.4140 0.0966 0.6343 ( 1369 PWs) bands (ev): -13.7407 -13.7407 -3.4677 -3.4677 -2.4028 -2.4028 -1.7308 -1.7308 0.9253 0.9253 9.3981 9.3981 9.9614 9.9614 11.6823 11.6823 k = 0.4078 0.1073 0.6343 ( 1371 PWs) bands (ev): -13.7426 -13.7426 -3.4786 -3.4786 -2.4147 -2.4147 -1.6789 -1.6789 0.9069 0.9069 9.3377 9.3377 9.9836 9.9836 11.7384 11.7384 k = 0.4017 0.1180 0.6343 ( 1374 PWs) bands (ev): -13.7442 -13.7442 -3.4882 -3.4882 -2.4255 -2.4255 -1.6294 -1.6294 0.8867 0.8867 9.2825 9.2825 10.0035 10.0035 11.7945 11.7945 k = 0.3955 0.1287 0.6343 ( 1376 PWs) bands (ev): -13.7457 -13.7457 -3.4963 -3.4963 -2.4352 -2.4352 -1.5830 -1.5830 0.8652 0.8652 9.2331 9.2331 10.0208 10.0208 11.8494 11.8494 k = 0.3894 0.1394 0.6343 ( 1376 PWs) bands (ev): -13.7469 -13.7469 -3.5029 -3.5029 -2.4438 -2.4438 -1.5403 -1.5403 0.8427 0.8427 9.1895 9.1895 10.0356 10.0356 11.9017 11.9017 k = 0.3833 0.1501 0.6343 ( 1376 PWs) bands (ev): -13.7479 -13.7479 -3.5079 -3.5079 -2.4513 -2.4513 -1.5017 -1.5017 0.8196 0.8196 9.1520 9.1520 10.0477 10.0477 11.9495 11.9495 k = 0.3771 0.1608 0.6343 ( 1374 PWs) bands (ev): -13.7485 -13.7485 -3.5112 -3.5112 -2.4576 -2.4576 -1.4678 -1.4678 0.7964 0.7964 9.1208 9.1208 10.0570 10.0570 11.9909 11.9909 k = 0.3710 0.1715 0.6343 ( 1372 PWs) bands (ev): -13.7490 -13.7490 -3.5129 -3.5129 -2.4628 -2.4628 -1.4392 -1.4392 0.7736 0.7736 9.0961 9.0961 10.0634 10.0634 12.0238 12.0238 k = 0.3648 0.1821 0.6343 ( 1372 PWs) bands (ev): -13.7491 -13.7491 -3.5129 -3.5129 -2.4668 -2.4668 -1.4165 -1.4165 0.7514 0.7514 9.0781 9.0781 10.0669 10.0669 12.0464 12.0464 k = 0.3587 0.1928 0.6343 ( 1374 PWs) bands (ev): -13.7489 -13.7489 -3.5111 -3.5111 -2.4696 -2.4696 -1.3999 -1.3999 0.7302 0.7302 9.0668 9.0668 10.0673 10.0673 12.0572 12.0572 k = 0.3525 0.2035 0.6343 ( 1376 PWs) bands (ev): -13.7484 -13.7484 -3.5076 -3.5076 -2.4712 -2.4712 -1.3898 -1.3898 0.7104 0.7104 9.0623 9.0623 10.0646 10.0646 12.0557 12.0557 k = 0.3464 0.2142 0.6343 ( 1376 PWs) bands (ev): -13.7477 -13.7477 -3.5023 -3.5023 -2.4717 -2.4717 -1.3866 -1.3866 0.6921 0.6921 9.0649 9.0649 10.0589 10.0589 12.0422 12.0422 k = 0.3403 0.2249 0.6343 ( 1380 PWs) bands (ev): -13.7466 -13.7466 -3.4953 -3.4953 -2.4710 -2.4710 -1.3903 -1.3903 0.6754 0.6754 9.0744 9.0744 10.0500 10.0500 12.0181 12.0181 k = 0.3341 0.2356 0.6343 ( 1379 PWs) bands (ev): -13.7452 -13.7452 -3.4864 -3.4864 -2.4692 -2.4692 -1.4008 -1.4008 0.6604 0.6604 9.0910 9.0910 10.0381 10.0381 11.9851 11.9851 k = 0.3280 0.2463 0.6343 ( 1381 PWs) bands (ev): -13.7436 -13.7436 -3.4756 -3.4756 -2.4662 -2.4662 -1.4182 -1.4182 0.6469 0.6469 9.1147 9.1147 10.0230 10.0230 11.9452 11.9452 k = 0.3218 0.2570 0.6343 ( 1381 PWs) bands (ev): -13.7416 -13.7416 -3.4631 -3.4631 -2.4621 -2.4621 -1.4421 -1.4421 0.6348 0.6348 9.1455 9.1455 10.0049 10.0049 11.9004 11.9004 k = 0.3157 0.2677 0.6343 ( 1377 PWs) bands (ev): -13.7393 -13.7393 -3.4487 -3.4487 -2.4568 -2.4568 -1.4721 -1.4721 0.6236 0.6236 9.1834 9.1834 9.9837 9.9837 11.8526 11.8526 k = 0.3095 0.2784 0.6343 ( 1375 PWs) bands (ev): -13.7368 -13.7368 -3.4326 -3.4326 -2.4504 -2.4504 -1.5079 -1.5079 0.6132 0.6132 9.2284 9.2284 9.9597 9.9597 11.8031 11.8031 k = 0.3034 0.2891 0.6343 ( 1379 PWs) bands (ev): -13.7341 -13.7341 -3.4146 -3.4146 -2.4429 -2.4429 -1.5489 -1.5489 0.6030 0.6030 9.2803 9.2803 9.9328 9.9328 11.7531 11.7531 k = 0.2972 0.2998 0.6343 ( 1375 PWs) bands (ev): -13.7310 -13.7310 -3.3948 -3.3948 -2.4344 -2.4344 -1.5946 -1.5946 0.5928 0.5928 9.3392 9.3392 9.9031 9.9031 11.7038 11.7038 k = 0.2911 0.3105 0.6343 ( 1378 PWs) bands (ev): -13.7278 -13.7278 -3.3732 -3.3732 -2.4248 -2.4248 -1.6445 -1.6445 0.5821 0.5821 9.4049 9.4049 9.8709 9.8709 11.6558 11.6558 k = 0.2850 0.3212 0.6343 ( 1380 PWs) bands (ev): -13.7243 -13.7243 -3.3498 -3.3498 -2.4142 -2.4142 -1.6979 -1.6979 0.5704 0.5704 9.4772 9.4772 9.8362 9.8362 11.6096 11.6096 k = 0.2788 0.3319 0.6343 ( 1380 PWs) bands (ev): -13.7207 -13.7207 -3.3247 -3.3247 -2.4026 -2.4026 -1.7544 -1.7544 0.5576 0.5576 9.5559 9.5559 9.7993 9.7993 11.5659 11.5659 k = 0.2727 0.3426 0.6343 ( 1380 PWs) bands (ev): -13.7169 -13.7169 -3.2978 -3.2978 -2.3900 -2.3900 -1.8133 -1.8133 0.5433 0.5433 9.6406 9.6406 9.7604 9.7604 11.5250 11.5250 k = 0.2665 0.3533 0.6343 ( 1378 PWs) bands (ev): -13.7129 -13.7129 -3.2692 -3.2692 -2.3766 -2.3766 -1.8742 -1.8742 0.5273 0.5273 9.7139 9.7139 9.7372 9.7372 11.4871 11.4871 k = 0.2604 0.3640 0.6343 ( 1378 PWs) bands (ev): -13.7089 -13.7089 -3.2390 -3.2390 -2.3624 -2.3624 -1.9365 -1.9365 0.5094 0.5094 9.6751 9.6751 9.8300 9.8300 11.4524 11.4524 k = 0.2542 0.3747 0.6343 ( 1375 PWs) bands (ev): -13.7047 -13.7047 -3.2071 -3.2071 -2.3475 -2.3475 -1.9997 -1.9997 0.4894 0.4894 9.6309 9.6309 9.9322 9.9322 11.4211 11.4211 k = 0.2481 0.3854 0.6343 ( 1379 PWs) bands (ev): -13.7005 -13.7005 -3.1737 -3.1737 -2.3321 -2.3321 -2.0633 -2.0633 0.4673 0.4673 9.5852 9.5852 10.0397 10.0397 11.3932 11.3932 k = 0.2419 0.3960 0.6343 ( 1377 PWs) bands (ev): -13.6962 -13.6962 -3.1388 -3.1388 -2.3169 -2.3169 -2.1262 -2.1262 0.4431 0.4431 9.5384 9.5384 10.1519 10.1519 11.3688 11.3688 k = 0.2358 0.4067 0.6343 ( 1375 PWs) bands (ev): -13.6919 -13.6919 -3.1025 -3.1025 -2.3036 -2.3036 -2.1863 -2.1863 0.4167 0.4167 9.4906 9.4906 10.2686 10.2686 11.3478 11.3478 k = 0.2297 0.4174 0.6343 ( 1380 PWs) bands (ev): -13.6877 -13.6877 -3.0648 -3.0648 -2.3028 -2.3028 -2.2327 -2.2327 0.3882 0.3882 9.4422 9.4422 10.3891 10.3891 11.3304 11.3304 k = 0.2235 0.4281 0.6343 ( 1380 PWs) bands (ev): -13.6835 -13.6835 -3.0260 -3.0260 -2.3395 -2.3395 -2.2402 -2.2402 0.3577 0.3577 9.3934 9.3934 10.5130 10.5130 11.3164 11.3164 k = 0.2174 0.4388 0.6343 ( 1377 PWs) bands (ev): -13.6794 -13.6794 -2.9862 -2.9862 -2.3953 -2.3953 -2.2267 -2.2267 0.3253 0.3253 9.3444 9.3444 10.6398 10.6398 11.3057 11.3057 k = 0.2112 0.4495 0.6343 ( 1383 PWs) bands (ev): -13.6754 -13.6754 -2.9459 -2.9459 -2.4535 -2.4535 -2.2085 -2.2085 0.2911 0.2911 9.2955 9.2955 10.7689 10.7689 11.2982 11.2982 k = 0.2051 0.4602 0.6343 ( 1382 PWs) bands (ev): -13.6716 -13.6716 -2.9055 -2.9055 -2.5105 -2.5105 -2.1884 -2.1884 0.2555 0.2555 9.2469 9.2469 10.8995 10.8995 11.2939 11.2939 k = 0.1989 0.4709 0.6343 ( 1380 PWs) bands (ev): -13.6679 -13.6679 -2.8665 -2.8665 -2.5641 -2.5641 -2.1674 -2.1674 0.2184 0.2184 9.1987 9.1987 11.0309 11.0309 11.2928 11.2928 k = 0.1928 0.4816 0.6343 ( 1382 PWs) bands (ev): -13.6645 -13.6645 -2.8319 -2.8319 -2.6107 -2.6107 -2.1457 -2.1457 0.1803 0.1803 9.1514 9.1514 11.1618 11.1618 11.2953 11.2953 k = 0.1866 0.4923 0.6343 ( 1382 PWs) bands (ev): -13.6614 -13.6614 -2.8103 -2.8103 -2.6420 -2.6420 -2.1235 -2.1235 0.1413 0.1413 9.1049 9.1049 11.2771 11.2771 11.3155 11.3155 k = 0.1866 0.4923 0.6343 ( 1382 PWs) bands (ev): -13.6614 -13.6614 -2.8103 -2.8103 -2.6420 -2.6420 -2.1235 -2.1235 0.1413 0.1413 9.1049 9.1049 11.2771 11.2771 11.3155 11.3155 k = 0.1782 0.4979 0.6271 ( 1382 PWs) bands (ev): -13.6572 -13.6572 -2.7949 -2.7949 -2.6668 -2.6668 -2.0927 -2.0927 0.0847 0.0847 9.0423 9.0423 11.3699 11.3699 11.4147 11.4147 k = 0.1697 0.5034 0.6200 ( 1382 PWs) bands (ev): -13.6533 -13.6533 -2.7783 -2.7783 -2.6887 -2.6887 -2.0623 -2.0623 0.0240 0.0240 8.9813 8.9813 11.4613 11.4613 11.5227 11.5227 k = 0.1612 0.5090 0.6128 ( 1370 PWs) bands (ev): -13.6495 -13.6495 -2.7652 -2.7652 -2.7032 -2.7032 -2.0324 -2.0324 -0.0402 -0.0402 8.9220 8.9220 11.5508 11.5508 11.6394 11.6394 k = 0.1527 0.5145 0.6057 ( 1370 PWs) bands (ev): -13.6458 -13.6458 -2.7662 -2.7662 -2.6995 -2.6995 -2.0033 -2.0033 -0.1079 -0.1079 8.8645 8.8645 11.6381 11.6381 11.7641 11.7641 k = 0.1442 0.5201 0.5985 ( 1362 PWs) bands (ev): -13.6423 -13.6423 -2.7808 -2.7808 -2.6783 -2.6783 -1.9749 -1.9749 -0.1784 -0.1784 8.8091 8.8091 11.7230 11.7230 11.8965 11.8965 k = 0.1357 0.5256 0.5914 ( 1360 PWs) bands (ev): -13.6390 -13.6390 -2.7993 -2.7993 -2.6491 -2.6491 -1.9474 -1.9474 -0.2513 -0.2513 8.7559 8.7559 11.8051 11.8051 12.0360 12.0360 k = 0.1273 0.5312 0.5842 ( 1356 PWs) bands (ev): -13.6359 -13.6359 -2.8183 -2.8183 -2.6154 -2.6154 -1.9209 -1.9209 -0.3263 -0.3263 8.7050 8.7050 11.8842 11.8842 12.1819 12.1819 k = 0.1188 0.5367 0.5771 ( 1352 PWs) bands (ev): -13.6330 -13.6330 -2.8369 -2.8369 -2.5785 -2.5785 -1.8955 -1.8955 -0.4028 -0.4028 8.6566 8.6566 11.9600 11.9600 12.3337 12.3337 k = 0.1103 0.5423 0.5699 ( 1348 PWs) bands (ev): -13.6302 -13.6302 -2.8546 -2.8546 -2.5387 -2.5387 -1.8713 -1.8713 -0.4805 -0.4805 8.6108 8.6108 12.0322 12.0322 12.4908 12.4908 k = 0.1018 0.5478 0.5627 ( 1348 PWs) bands (ev): -13.6277 -13.6277 -2.8713 -2.8713 -2.4963 -2.4963 -1.8484 -1.8484 -0.5589 -0.5589 8.5677 8.5677 12.1006 12.1006 12.6522 12.6522 k = 0.0933 0.5534 0.5556 ( 1348 PWs) bands (ev): -13.6253 -13.6253 -2.8868 -2.8868 -2.4518 -2.4518 -1.8269 -1.8269 -0.6375 -0.6375 8.5276 8.5276 12.1649 12.1649 12.8172 12.8172 k = 0.0848 0.5589 0.5484 ( 1348 PWs) bands (ev): -13.6231 -13.6231 -2.9012 -2.9012 -2.4053 -2.4053 -1.8069 -1.8069 -0.7158 -0.7158 8.4904 8.4904 12.2247 12.2247 12.9846 12.9846 k = 0.0764 0.5645 0.5413 ( 1348 PWs) bands (ev): -13.6212 -13.6212 -2.9143 -2.9143 -2.3574 -2.3574 -1.7885 -1.7885 -0.7932 -0.7932 8.4564 8.4564 12.2798 12.2798 13.1532 13.1532 k = 0.0679 0.5700 0.5341 ( 1344 PWs) bands (ev): -13.6194 -13.6194 -2.9260 -2.9260 -2.3084 -2.3084 -1.7717 -1.7717 -0.8691 -0.8691 8.4257 8.4257 12.3299 12.3299 13.3211 13.3211 k = 0.0594 0.5756 0.5270 ( 1342 PWs) bands (ev): -13.6179 -13.6179 -2.9365 -2.9365 -2.2590 -2.2590 -1.7566 -1.7566 -0.9426 -0.9426 8.3983 8.3983 12.3748 12.3748 13.4856 13.4856 k = 0.0509 0.5811 0.5198 ( 1330 PWs) bands (ev): -13.6165 -13.6165 -2.9456 -2.9456 -2.2100 -2.2100 -1.7433 -1.7433 -1.0128 -1.0128 8.3743 8.3743 12.4143 12.4143 13.6429 13.6429 k = 0.0424 0.5867 0.5127 ( 1330 PWs) bands (ev): -13.6154 -13.6154 -2.9533 -2.9533 -2.1627 -2.1627 -1.7318 -1.7318 -1.0786 -1.0786 8.3539 8.3539 12.4481 12.4481 13.7848 13.7848 k = 0.0339 0.5922 0.5055 ( 1328 PWs) bands (ev): -13.6144 -13.6144 -2.9597 -2.9597 -2.1186 -2.1186 -1.7221 -1.7221 -1.1381 -1.1381 8.3371 8.3371 12.4760 12.4760 13.7945 13.7945 k = 0.0255 0.5978 0.4984 ( 1328 PWs) bands (ev): -13.6137 -13.6137 -2.9646 -2.9646 -2.0798 -2.0798 -1.7144 -1.7144 -1.1891 -1.1891 8.3240 8.3240 12.4979 12.4979 13.7792 13.7792 k = 0.0170 0.6033 0.4912 ( 1328 PWs) bands (ev): -13.6132 -13.6132 -2.9682 -2.9682 -2.0489 -2.0489 -1.7086 -1.7086 -1.2290 -1.2290 8.3146 8.3146 12.5136 12.5136 13.7681 13.7681 k = 0.0085 0.6089 0.4841 ( 1322 PWs) bands (ev): -13.6129 -13.6129 -2.9703 -2.9703 -2.0287 -2.0287 -1.7051 -1.7051 -1.2547 -1.2547 8.3089 8.3089 12.5231 12.5231 13.7614 13.7614 k = 0.0000 0.6144 0.4769 ( 1322 PWs) bands (ev): -13.6128 -13.6128 -2.9710 -2.9710 -2.0217 -2.0217 -1.7039 -1.7039 -1.2636 -1.2636 8.3070 8.3070 12.5263 12.5263 13.7592 13.7592 k = 0.0000 0.6144 0.4769 ( 1322 PWs) bands (ev): -13.6128 -13.6128 -2.9710 -2.9710 -2.0217 -2.0217 -1.7039 -1.7039 -1.2636 -1.2636 8.3070 8.3070 12.5263 12.5263 13.7592 13.7592 k = 0.0000 0.6047 0.4693 ( 1326 PWs) bands (ev): -13.6132 -13.6132 -2.9743 -2.9743 -2.0212 -2.0212 -1.7034 -1.7034 -1.2577 -1.2577 8.3083 8.3083 12.5202 12.5202 13.7523 13.7523 k = 0.0000 0.5949 0.4618 ( 1328 PWs) bands (ev): -13.6144 -13.6144 -2.9838 -2.9838 -2.0196 -2.0196 -1.7021 -1.7021 -1.2402 -1.2402 8.3124 8.3124 12.5019 12.5019 13.7319 13.7319 k = 0.0000 0.5852 0.4542 ( 1328 PWs) bands (ev): -13.6163 -13.6163 -2.9993 -2.9993 -2.0169 -2.0169 -1.7000 -1.7000 -1.2117 -1.2117 8.3192 8.3192 12.4718 12.4718 13.6991 13.6991 k = 0.0000 0.5754 0.4466 ( 1328 PWs) bands (ev): -13.6191 -13.6191 -3.0199 -3.0199 -2.0131 -2.0131 -1.6970 -1.6970 -1.1728 -1.1728 8.3286 8.3286 12.4303 12.4303 13.6552 13.6552 k = 0.0000 0.5657 0.4391 ( 1328 PWs) bands (ev): -13.6226 -13.6226 -3.0448 -3.0448 -2.0082 -2.0082 -1.6931 -1.6931 -1.1246 -1.1246 8.3408 8.3408 12.3782 12.3782 13.6018 13.6018 k = 0.0000 0.5559 0.4315 ( 1332 PWs) bands (ev): -13.6269 -13.6269 -3.0731 -3.0731 -2.0023 -2.0023 -1.6883 -1.6883 -1.0680 -1.0680 8.3556 8.3556 12.3161 12.3161 13.5406 13.5406 k = 0.0000 0.5462 0.4239 ( 1332 PWs) bands (ev): -13.6319 -13.6319 -3.1039 -3.1039 -1.9952 -1.9952 -1.6827 -1.6827 -1.0040 -1.0040 8.3731 8.3731 12.2450 12.2450 13.4733 13.4733 k = 0.0000 0.5364 0.4163 ( 1336 PWs) bands (ev): -13.6377 -13.6377 -3.1364 -3.1364 -1.9871 -1.9871 -1.6763 -1.6763 -0.9337 -0.9337 8.3934 8.3934 12.1658 12.1658 13.4011 13.4011 k = 0.0000 0.5267 0.4088 ( 1348 PWs) bands (ev): -13.6443 -13.6443 -3.1697 -3.1697 -1.9779 -1.9779 -1.6690 -1.6690 -0.8580 -0.8580 8.4163 8.4163 12.0794 12.0794 13.3254 13.3254 k = 0.0000 0.5169 0.4012 ( 1348 PWs) bands (ev): -13.6515 -13.6515 -3.2032 -3.2032 -1.9677 -1.9677 -1.6609 -1.6609 -0.7775 -0.7775 8.4418 8.4418 11.9868 11.9868 13.2473 13.2473 k = 0.0000 0.5072 0.3936 ( 1352 PWs) bands (ev): -13.6595 -13.6595 -3.2363 -3.2363 -1.9565 -1.9565 -1.6519 -1.6519 -0.6933 -0.6933 8.4701 8.4701 11.8891 11.8891 13.1676 13.1676 k = 0.0000 0.4974 0.3861 ( 1352 PWs) bands (ev): -13.6682 -13.6682 -3.2684 -3.2684 -1.9442 -1.9442 -1.6423 -1.6423 -0.6060 -0.6060 8.5010 8.5010 11.7872 11.7872 13.0871 13.0871 k = 0.0000 0.4877 0.3785 ( 1354 PWs) bands (ev): -13.6775 -13.6775 -3.2992 -3.2992 -1.9310 -1.9310 -1.6318 -1.6318 -0.5162 -0.5162 8.5345 8.5345 11.6819 11.6819 13.0064 13.0064 k = 0.0000 0.4779 0.3709 ( 1354 PWs) bands (ev): -13.6875 -13.6875 -3.3283 -3.3283 -1.9168 -1.9168 -1.6206 -1.6206 -0.4247 -0.4247 8.5707 8.5707 11.5743 11.5743 12.9259 12.9259 k = 0.0000 0.4681 0.3634 ( 1354 PWs) bands (ev): -13.6981 -13.6981 -3.3554 -3.3554 -1.9017 -1.9017 -1.6087 -1.6087 -0.3319 -0.3319 8.6096 8.6096 11.4653 11.4653 12.8462 12.8462 k = 0.0000 0.4584 0.3558 ( 1362 PWs) bands (ev): -13.7094 -13.7094 -3.3802 -3.3802 -1.8857 -1.8857 -1.5961 -1.5961 -0.2384 -0.2384 8.6510 8.6510 11.3556 11.3556 12.7675 12.7675 k = 0.0000 0.4486 0.3482 ( 1364 PWs) bands (ev): -13.7212 -13.7212 -3.4025 -3.4025 -1.8688 -1.8688 -1.5828 -1.5828 -0.1449 -0.1449 8.6951 8.6951 11.2463 11.2463 12.6902 12.6902 k = 0.0000 0.4389 0.3406 ( 1364 PWs) bands (ev): -13.7335 -13.7335 -3.4221 -3.4221 -1.8511 -1.8511 -1.5689 -1.5689 -0.0518 -0.0518 8.7417 8.7417 11.1379 11.1379 12.6146 12.6146 k = 0.0000 0.4291 0.3331 ( 1368 PWs) bands (ev): -13.7464 -13.7464 -3.4389 -3.4389 -1.8326 -1.8326 -1.5545 -1.5545 0.0403 0.0403 8.7910 8.7910 11.0315 11.0315 12.5408 12.5408 k = 0.0000 0.4194 0.3255 ( 1368 PWs) bands (ev): -13.7598 -13.7598 -3.4527 -3.4527 -1.8133 -1.8133 -1.5394 -1.5394 0.1309 0.1309 8.8428 8.8428 10.9277 10.9277 12.4691 12.4691 k = 0.0000 0.4096 0.3179 ( 1368 PWs) bands (ev): -13.7736 -13.7736 -3.4634 -3.4634 -1.7933 -1.7933 -1.5238 -1.5238 0.2193 0.2193 8.8971 8.8971 10.8274 10.8274 12.3995 12.3995 k = 0.0000 0.3999 0.3104 ( 1368 PWs) bands (ev): -13.7879 -13.7879 -3.4710 -3.4710 -1.7726 -1.7726 -1.5077 -1.5077 0.3051 0.3051 8.9540 8.9540 10.7312 10.7312 12.3323 12.3323 k = 0.0000 0.3901 0.3028 ( 1368 PWs) bands (ev): -13.8026 -13.8026 -3.4753 -3.4753 -1.7513 -1.7513 -1.4911 -1.4911 0.3877 0.3877 9.0133 9.0133 10.6398 10.6398 12.2676 12.2676 k = 0.0000 0.3804 0.2952 ( 1368 PWs) bands (ev): -13.8176 -13.8176 -3.4764 -3.4764 -1.7294 -1.7294 -1.4741 -1.4741 0.4665 0.4665 9.0752 9.0752 10.5540 10.5540 12.2054 12.2054 k = 0.0000 0.3706 0.2877 ( 1364 PWs) bands (ev): -13.8330 -13.8330 -3.4740 -3.4740 -1.7069 -1.7069 -1.4568 -1.4568 0.5410 0.5410 9.1395 9.1395 10.4744 10.4744 12.1459 12.1459 k = 0.0000 0.3609 0.2801 ( 1368 PWs) bands (ev): -13.8486 -13.8486 -3.4684 -3.4684 -1.6840 -1.6840 -1.4390 -1.4390 0.6106 0.6106 9.2062 9.2062 10.4017 10.4017 12.0891 12.0891 k = 0.0000 0.3511 0.2725 ( 1368 PWs) bands (ev): -13.8645 -13.8645 -3.4593 -3.4593 -1.6606 -1.6606 -1.4210 -1.4210 0.6748 0.6748 9.2753 9.2753 10.3363 10.3363 12.0351 12.0351 k = 0.0000 0.3414 0.2649 ( 1374 PWs) bands (ev): -13.8806 -13.8806 -3.4468 -3.4468 -1.6368 -1.6368 -1.4027 -1.4027 0.7330 0.7330 9.3467 9.3467 10.2787 10.2787 11.9840 11.9840 k = 0.0000 0.3316 0.2574 ( 1364 PWs) bands (ev): -13.8969 -13.8969 -3.4308 -3.4308 -1.6127 -1.6127 -1.3842 -1.3842 0.7849 0.7849 9.4205 9.4205 10.2295 10.2295 11.9358 11.9358 k = 0.0000 0.3219 0.2498 ( 1364 PWs) bands (ev): -13.9132 -13.9132 -3.4115 -3.4115 -1.5883 -1.5883 -1.3654 -1.3654 0.8299 0.8299 9.4965 9.4965 10.1890 10.1890 11.8905 11.8905 k = 0.0000 0.3121 0.2422 ( 1364 PWs) bands (ev): -13.9297 -13.9297 -3.3888 -3.3888 -1.5637 -1.5637 -1.3466 -1.3466 0.8677 0.8677 9.5748 9.5748 10.1573 10.1573 11.8483 11.8483 k = 0.0000 0.3023 0.2347 ( 1368 PWs) bands (ev): -13.9462 -13.9462 -3.3626 -3.3626 -1.5390 -1.5390 -1.3276 -1.3276 0.8978 0.8978 9.6552 9.6552 10.1347 10.1347 11.8090 11.8090 k = 0.0000 0.2926 0.2271 ( 1364 PWs) bands (ev): -13.9627 -13.9627 -3.3331 -3.3331 -1.5141 -1.5141 -1.3086 -1.3086 0.9202 0.9202 9.7377 9.7377 10.1210 10.1210 11.7728 11.7728 k = 0.0000 0.2828 0.2195 ( 1360 PWs) bands (ev): -13.9791 -13.9791 -3.3002 -3.3002 -1.4892 -1.4892 -1.2896 -1.2896 0.9345 0.9345 9.8223 9.8223 10.1161 10.1161 11.7395 11.7395 k = 0.0000 0.2731 0.2120 ( 1358 PWs) bands (ev): -13.9955 -13.9955 -3.2640 -3.2640 -1.4644 -1.4644 -1.2706 -1.2706 0.9405 0.9405 9.9088 9.9088 10.1197 10.1197 11.7093 11.7093 k = 0.0000 0.2633 0.2044 ( 1362 PWs) bands (ev): -14.0117 -14.0117 -3.2245 -3.2245 -1.4396 -1.4396 -1.2518 -1.2518 0.9384 0.9384 9.9972 9.9972 10.1312 10.1312 11.6822 11.6822 k = 0.0000 0.2536 0.1968 ( 1366 PWs) bands (ev): -14.0278 -14.0278 -3.1817 -3.1817 -1.4150 -1.4150 -1.2330 -1.2330 0.9280 0.9280 10.0874 10.0874 10.1498 10.1498 11.6580 11.6580 k = 0.0000 0.2438 0.1892 ( 1366 PWs) bands (ev): -14.0436 -14.0436 -3.1358 -3.1358 -1.3907 -1.3907 -1.2144 -1.2144 0.9096 0.9096 10.1745 10.1745 10.1793 10.1793 11.6368 11.6368 k = 0.0000 0.2341 0.1817 ( 1370 PWs) bands (ev): -14.0592 -14.0592 -3.0866 -3.0866 -1.3667 -1.3667 -1.1961 -1.1961 0.8833 0.8833 10.2042 10.2042 10.2728 10.2728 11.6185 11.6185 k = 0.0000 0.2243 0.1741 ( 1370 PWs) bands (ev): -14.0744 -14.0744 -3.0343 -3.0343 -1.3430 -1.3430 -1.1780 -1.1780 0.8494 0.8494 10.2374 10.2374 10.3677 10.3677 11.6030 11.6030 k = 0.0000 0.2146 0.1665 ( 1368 PWs) bands (ev): -14.0894 -14.0894 -2.9789 -2.9789 -1.3197 -1.3197 -1.1602 -1.1602 0.8082 0.8082 10.2728 10.2728 10.4639 10.4639 11.5904 11.5904 k = 0.0000 0.2048 0.1590 ( 1368 PWs) bands (ev): -14.1039 -14.1039 -2.9206 -2.9206 -1.2970 -1.2970 -1.1428 -1.1428 0.7600 0.7600 10.3086 10.3086 10.5612 10.5612 11.5803 11.5803 k = 0.0000 0.1951 0.1514 ( 1364 PWs) bands (ev): -14.1181 -14.1181 -2.8592 -2.8592 -1.2749 -1.2749 -1.1258 -1.1258 0.7053 0.7053 10.3435 10.3435 10.6595 10.6595 11.5624 11.5624 k = 0.0000 0.1853 0.1438 ( 1364 PWs) bands (ev): -14.1318 -14.1318 -2.7950 -2.7950 -1.2534 -1.2534 -1.1092 -1.1092 0.6443 0.6443 10.3760 10.3760 10.7584 10.7584 11.5232 11.5232 k = 0.0000 0.1756 0.1363 ( 1360 PWs) bands (ev): -14.1450 -14.1450 -2.7280 -2.7280 -1.2326 -1.2326 -1.0931 -1.0931 0.5778 0.5778 10.4050 10.4050 10.8579 10.8579 11.4857 11.4857 k = 0.0000 0.1658 0.1287 ( 1352 PWs) bands (ev): -14.1577 -14.1577 -2.6582 -2.6582 -1.2126 -1.2126 -1.0775 -1.0775 0.5059 0.5059 10.4300 10.4300 10.9575 10.9575 11.4503 11.4503 k = 0.0000 0.1560 0.1211 ( 1353 PWs) bands (ev): -14.1699 -14.1699 -2.5857 -2.5857 -1.1934 -1.1934 -1.0625 -1.0625 0.4293 0.4293 10.4505 10.4505 11.0570 11.0570 11.4171 11.4171 k = 0.0000 0.1463 0.1135 ( 1357 PWs) bands (ev): -14.1815 -14.1815 -2.5107 -2.5107 -1.1751 -1.1751 -1.0481 -1.0481 0.3483 0.3483 10.4665 10.4665 11.1559 11.1559 11.3862 11.3862 k = 0.0000 0.1365 0.1060 ( 1357 PWs) bands (ev): -14.1925 -14.1925 -2.4331 -2.4331 -1.1578 -1.1578 -1.0344 -1.0344 0.2634 0.2634 10.4784 10.4784 11.2540 11.2540 11.3575 11.3575 k = 0.0000 0.1268 0.0984 ( 1361 PWs) bands (ev): -14.2028 -14.2028 -2.3531 -2.3531 -1.1415 -1.1415 -1.0214 -1.0214 0.1750 0.1750 10.4865 10.4865 11.3309 11.3309 11.3506 11.3506 k = 0.0000 0.1170 0.0908 ( 1361 PWs) bands (ev): -14.2125 -14.2125 -2.2707 -2.2707 -1.1262 -1.1262 -1.0091 -1.0091 0.0836 0.0836 10.4915 10.4915 11.3065 11.3065 11.4453 11.4453 k = 0.0000 0.1073 0.0833 ( 1357 PWs) bands (ev): -14.2215 -14.2215 -2.1861 -2.1861 -1.1120 -1.1120 -0.9976 -0.9976 -0.0104 -0.0104 10.4940 10.4940 11.2841 11.2841 11.5374 11.5374 k = 0.0000 0.0975 0.0757 ( 1357 PWs) bands (ev): -14.2298 -14.2298 -2.0994 -2.0994 -1.0990 -1.0990 -0.9869 -0.9869 -0.1066 -0.1066 10.4945 10.4945 11.2639 11.2639 11.6140 11.6140 k = 0.0000 0.0878 0.0681 ( 1357 PWs) bands (ev): -14.2374 -14.2374 -2.0106 -2.0106 -1.0871 -1.0871 -0.9771 -0.9771 -0.2048 -0.2048 10.4936 10.4936 11.2457 11.2457 11.6246 11.6246 k = 0.0000 0.0780 0.0606 ( 1357 PWs) bands (ev): -14.2442 -14.2442 -1.9200 -1.9200 -1.0764 -1.0764 -0.9682 -0.9682 -0.3044 -0.3044 10.4916 10.4916 11.2294 11.2294 11.6353 11.6353 k = 0.0000 0.0683 0.0530 ( 1361 PWs) bands (ev): -14.2502 -14.2502 -1.8277 -1.8277 -1.0670 -1.0670 -0.9603 -0.9603 -0.4052 -0.4052 10.4890 10.4890 11.2152 11.2152 11.6457 11.6457 k = 0.0000 0.0585 0.0454 ( 1361 PWs) bands (ev): -14.2555 -14.2555 -1.7337 -1.7337 -1.0589 -1.0589 -0.9533 -0.9533 -0.5067 -0.5067 10.4862 10.4862 11.2030 11.2030 11.6555 11.6555 k = 0.0000 0.0488 0.0378 ( 1363 PWs) bands (ev): -14.2600 -14.2600 -1.6384 -1.6384 -1.0521 -1.0521 -0.9474 -0.9474 -0.6085 -0.6085 10.4833 10.4833 11.1926 11.1926 11.6645 11.6645 k = 0.0000 0.0390 0.0303 ( 1363 PWs) bands (ev): -14.2637 -14.2637 -1.5421 -1.5421 -1.0467 -1.0467 -0.9426 -0.9426 -0.7101 -0.7101 10.4807 10.4807 11.1842 11.1842 11.6723 11.6723 k = 0.0000 0.0293 0.0227 ( 1359 PWs) bands (ev): -14.2666 -14.2666 -1.4452 -1.4452 -1.0431 -1.0431 -0.9389 -0.9389 -0.8103 -0.8103 10.4785 10.4785 11.1777 11.1777 11.6786 11.6786 k = 0.0000 0.0195 0.0151 ( 1359 PWs) bands (ev): -14.2686 -14.2686 -1.3492 -1.3492 -1.0426 -1.0426 -0.9380 -0.9380 -0.9051 -0.9051 10.4769 10.4769 11.1730 11.1730 11.6833 11.6833 k = 0.0000 0.0098 0.0076 ( 1363 PWs) bands (ev): -14.2699 -14.2699 -1.2584 -1.2584 -1.0540 -1.0540 -0.9885 -0.9885 -0.9326 -0.9326 10.4758 10.4758 11.1703 11.1703 11.6862 11.6862 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -14.2703 -14.2703 -1.2046 -1.2046 -1.0838 -1.0838 -1.0119 -1.0119 -0.9325 -0.9325 10.4755 10.4755 11.1693 11.1693 11.6872 11.6872 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -14.2703 -14.2703 -1.2046 -1.2046 -1.0838 -1.0838 -1.0119 -1.0119 -0.9325 -0.9325 10.4755 10.4755 11.1693 11.1693 11.6872 11.6872 k = 0.0089 0.0051-0.0066 ( 1363 PWs) bands (ev): -14.2699 -14.2699 -1.2074 -1.2074 -1.1114 -1.1114 -1.0048 -1.0048 -0.9106 -0.9106 10.4701 10.4701 11.1659 11.1659 11.6890 11.6890 k = 0.0179 0.0103-0.0132 ( 1363 PWs) bands (ev): -14.2689 -14.2689 -1.2212 -1.2212 -1.1565 -1.1565 -1.0005 -1.0005 -0.8603 -0.8603 10.4539 10.4539 11.1555 11.1555 11.6946 11.6946 k = 0.0268 0.0154-0.0198 ( 1359 PWs) bands (ev): -14.2671 -14.2671 -1.2616 -1.2616 -1.1829 -1.1829 -1.0004 -1.0004 -0.8004 -0.8004 10.4274 10.4274 11.1385 11.1385 11.7038 11.7038 k = 0.0357 0.0205-0.0264 ( 1359 PWs) bands (ev): -14.2646 -14.2646 -1.3214 -1.3214 -1.1933 -1.1933 -1.0023 -1.0023 -0.7381 -0.7381 10.3912 10.3912 11.1150 11.1150 11.7167 11.7167 k = 0.0446 0.0256-0.0330 ( 1357 PWs) bands (ev): -14.2615 -14.2615 -1.3866 -1.3866 -1.2002 -1.2002 -1.0054 -1.0054 -0.6756 -0.6756 10.3462 10.3462 11.0854 11.0854 11.7332 11.7332 k = 0.0536 0.0308-0.0397 ( 1361 PWs) bands (ev): -14.2577 -14.2577 -1.4535 -1.4535 -1.2067 -1.2067 -1.0094 -1.0094 -0.6139 -0.6139 10.2934 10.2934 11.0501 11.0501 11.7534 11.7534 k = 0.0625 0.0359-0.0463 ( 1361 PWs) bands (ev): -14.2532 -14.2532 -1.5207 -1.5207 -1.2136 -1.2136 -1.0142 -1.0142 -0.5536 -0.5536 10.2341 10.2341 11.0094 11.0094 11.7771 11.7771 k = 0.0714 0.0410-0.0529 ( 1361 PWs) bands (ev): -14.2480 -14.2480 -1.5876 -1.5876 -1.2211 -1.2211 -1.0198 -1.0198 -0.4952 -0.4952 10.1696 10.1696 10.9640 10.9640 11.8044 11.8044 k = 0.0804 0.0462-0.0595 ( 1365 PWs) bands (ev): -14.2422 -14.2422 -1.6541 -1.6541 -1.2293 -1.2293 -1.0261 -1.0261 -0.4390 -0.4390 10.1012 10.1012 10.9142 10.9142 11.8353 11.8353 k = 0.0893 0.0513-0.0661 ( 1365 PWs) bands (ev): -14.2358 -14.2358 -1.7199 -1.7199 -1.2383 -1.2383 -1.0331 -1.0331 -0.3853 -0.3853 10.0303 10.0303 10.8607 10.8607 11.8696 11.8696 k = 0.0982 0.0564-0.0727 ( 1365 PWs) bands (ev): -14.2287 -14.2287 -1.7847 -1.7847 -1.2480 -1.2480 -1.0407 -1.0407 -0.3345 -0.3345 9.9582 9.9582 10.8038 10.8038 11.9074 11.9074 k = 0.1071 0.0616-0.0793 ( 1365 PWs) bands (ev): -14.2211 -14.2211 -1.8484 -1.8484 -1.2585 -1.2585 -1.0490 -1.0490 -0.2868 -0.2868 9.8862 9.8862 10.7441 10.7441 11.9485 11.9485 k = 0.1161 0.0667-0.0859 ( 1365 PWs) bands (ev): -14.2129 -14.2129 -1.9109 -1.9109 -1.2697 -1.2697 -1.0579 -1.0579 -0.2425 -0.2425 9.8155 9.8155 10.6820 10.6820 11.9930 11.9930 k = 0.1250 0.0718-0.0925 ( 1365 PWs) bands (ev): -14.2041 -14.2041 -1.9721 -1.9721 -1.2815 -1.2815 -1.0672 -1.0672 -0.2020 -0.2020 9.7471 9.7471 10.6179 10.6179 12.0408 12.0408 k = 0.1339 0.0769-0.0991 ( 1365 PWs) bands (ev): -14.1948 -14.1948 -2.0318 -2.0318 -1.2939 -1.2939 -1.0772 -1.0772 -0.1653 -0.1653 9.6820 9.6820 10.5523 10.5523 12.0917 12.0917 k = 0.1429 0.0821-0.1057 ( 1367 PWs) bands (ev): -14.1850 -14.1850 -2.0900 -2.0900 -1.3070 -1.3070 -1.0876 -1.0876 -0.1329 -0.1329 9.6212 9.6212 10.4855 10.4855 12.1459 12.1459 k = 0.1518 0.0872-0.1123 ( 1367 PWs) bands (ev): -14.1748 -14.1748 -2.1466 -2.1466 -1.3205 -1.3205 -1.0984 -1.0984 -0.1048 -0.1048 9.5654 9.5654 10.4179 10.4179 12.2031 12.2031 k = 0.1607 0.0923-0.1190 ( 1367 PWs) bands (ev): -14.1641 -14.1641 -2.2015 -2.2015 -1.3346 -1.3346 -1.1096 -1.1096 -0.0812 -0.0812 9.5152 9.5152 10.3498 10.3498 12.2634 12.2634 k = 0.1696 0.0975-0.1256 ( 1371 PWs) bands (ev): -14.1530 -14.1530 -2.2546 -2.2546 -1.3490 -1.3490 -1.1212 -1.1212 -0.0624 -0.0624 9.4712 9.4712 10.2814 10.2814 12.3266 12.3266 k = 0.1786 0.1026-0.1322 ( 1372 PWs) bands (ev): -14.1415 -14.1415 -2.3059 -2.3059 -1.3639 -1.3639 -1.1331 -1.1331 -0.0484 -0.0484 9.4339 9.4339 10.2130 10.2130 12.3926 12.3926 k = 0.1875 0.1077-0.1388 ( 1376 PWs) bands (ev): -14.1296 -14.1296 -2.3552 -2.3552 -1.3791 -1.3791 -1.1453 -1.1453 -0.0392 -0.0392 9.4038 9.4038 10.1449 10.1449 12.4615 12.4615 k = 0.1964 0.1128-0.1454 ( 1376 PWs) bands (ev): -14.1174 -14.1174 -2.4026 -2.4026 -1.3946 -1.3946 -1.1578 -1.1578 -0.0350 -0.0350 9.3810 9.3810 10.0772 10.0772 12.5331 12.5331 k = 0.2054 0.1180-0.1520 ( 1380 PWs) bands (ev): -14.1050 -14.1050 -2.4480 -2.4480 -1.4103 -1.4103 -1.1704 -1.1704 -0.0357 -0.0357 9.3658 9.3658 10.0103 10.0103 12.6071 12.6071 k = 0.2143 0.1231-0.1586 ( 1384 PWs) bands (ev): -14.0923 -14.0923 -2.4913 -2.4913 -1.4262 -1.4262 -1.1832 -1.1832 -0.0413 -0.0413 9.3583 9.3583 9.9441 9.9441 12.6783 12.6783 k = 0.2232 0.1282-0.1652 ( 1380 PWs) bands (ev): -14.0795 -14.0795 -2.5326 -2.5326 -1.4422 -1.4422 -1.1961 -1.1961 -0.0517 -0.0517 9.3586 9.3586 9.8789 9.8789 12.7291 12.7291 k = 0.2321 0.1334-0.1718 ( 1380 PWs) bands (ev): -14.0664 -14.0664 -2.5717 -2.5717 -1.4583 -1.4583 -1.2091 -1.2091 -0.0667 -0.0667 9.3665 9.3665 9.8149 9.8149 12.7801 12.7801 k = 0.2411 0.1385-0.1784 ( 1380 PWs) bands (ev): -14.0532 -14.0532 -2.6086 -2.6086 -1.4745 -1.4745 -1.2221 -1.2221 -0.0862 -0.0862 9.3822 9.3822 9.7522 9.7522 12.8330 12.8330 k = 0.2500 0.1436-0.1850 ( 1372 PWs) bands (ev): -14.0400 -14.0400 -2.6433 -2.6433 -1.4905 -1.4905 -1.2351 -1.2351 -0.1099 -0.1099 9.4052 9.4052 9.6908 9.6908 12.8881 12.8881 k = 0.2589 0.1488-0.1916 ( 1380 PWs) bands (ev): -14.0267 -14.0267 -2.6759 -2.6759 -1.5066 -1.5066 -1.2481 -1.2481 -0.1376 -0.1376 9.4355 9.4355 9.6309 9.6309 12.9452 12.9452 k = 0.2679 0.1539-0.1983 ( 1380 PWs) bands (ev): -14.0134 -14.0134 -2.7063 -2.7063 -1.5224 -1.5224 -1.2610 -1.2610 -0.1691 -0.1691 9.4728 9.4728 9.5726 9.5726 13.0044 13.0044 k = 0.2768 0.1590-0.2049 ( 1388 PWs) bands (ev): -14.0002 -14.0002 -2.7345 -2.7345 -1.5381 -1.5381 -1.2737 -1.2737 -0.2041 -0.2041 9.5160 9.5160 9.5167 9.5167 13.0657 13.0657 k = 0.2857 0.1641-0.2115 ( 1388 PWs) bands (ev): -13.9870 -13.9870 -2.7604 -2.7604 -1.5536 -1.5536 -1.2863 -1.2863 -0.2422 -0.2422 9.4612 9.4612 9.5668 9.5668 13.1289 13.1289 k = 0.2946 0.1693-0.2181 ( 1390 PWs) bands (ev): -13.9740 -13.9740 -2.7842 -2.7842 -1.5688 -1.5688 -1.2986 -1.2986 -0.2830 -0.2830 9.4081 9.4081 9.6226 9.6226 13.1940 13.1940 k = 0.3036 0.1744-0.2247 ( 1382 PWs) bands (ev): -13.9611 -13.9611 -2.8058 -2.8058 -1.5837 -1.5837 -1.3107 -1.3107 -0.3261 -0.3261 9.3570 9.3570 9.6839 9.6839 13.2611 13.2611 k = 0.3125 0.1795-0.2313 ( 1380 PWs) bands (ev): -13.9484 -13.9484 -2.8253 -2.8253 -1.5982 -1.5982 -1.3226 -1.3226 -0.3713 -0.3713 9.3078 9.3078 9.7500 9.7500 13.3299 13.3299 k = 0.3214 0.1847-0.2379 ( 1376 PWs) bands (ev): -13.9360 -13.9360 -2.8427 -2.8427 -1.6124 -1.6124 -1.3341 -1.3341 -0.4181 -0.4181 9.2606 9.2606 9.8204 9.8204 13.4004 13.4004 k = 0.3304 0.1898-0.2445 ( 1372 PWs) bands (ev): -13.9239 -13.9239 -2.8580 -2.8580 -1.6261 -1.6261 -1.3453 -1.3453 -0.4661 -0.4661 9.2154 9.2154 9.8945 9.8945 13.4726 13.4726 k = 0.3393 0.1949-0.2511 ( 1366 PWs) bands (ev): -13.9122 -13.9122 -2.8714 -2.8714 -1.6393 -1.6393 -1.3561 -1.3561 -0.5150 -0.5150 9.1724 9.1724 9.9717 9.9717 13.5462 13.5462 k = 0.3482 0.2000-0.2577 ( 1366 PWs) bands (ev): -13.9008 -13.9008 -2.8829 -2.8829 -1.6520 -1.6520 -1.3664 -1.3664 -0.5644 -0.5644 9.1315 9.1315 10.0514 10.0514 13.6211 13.6211 k = 0.3571 0.2052-0.2643 ( 1372 PWs) bands (ev): -13.8898 -13.8898 -2.8925 -2.8925 -1.6642 -1.6642 -1.3764 -1.3764 -0.6139 -0.6139 9.0927 9.0927 10.1330 10.1330 13.6972 13.6972 k = 0.3661 0.2103-0.2710 ( 1370 PWs) bands (ev): -13.8793 -13.8793 -2.9005 -2.9005 -1.6758 -1.6758 -1.3859 -1.3859 -0.6629 -0.6629 9.0562 9.0562 10.2156 10.2156 13.7743 13.7743 k = 0.3750 0.2154-0.2776 ( 1374 PWs) bands (ev): -13.8693 -13.8693 -2.9068 -2.9068 -1.6868 -1.6868 -1.3949 -1.3949 -0.7113 -0.7113 9.0218 9.0218 10.2987 10.2987 13.8521 13.8521 k = 0.3839 0.2206-0.2842 ( 1374 PWs) bands (ev): -13.8598 -13.8598 -2.9116 -2.9116 -1.6971 -1.6971 -1.4034 -1.4034 -0.7586 -0.7586 8.9898 8.9898 10.3814 10.3814 13.9304 13.9304 k = 0.3929 0.2257-0.2908 ( 1374 PWs) bands (ev): -13.8508 -13.8508 -2.9151 -2.9151 -1.7068 -1.7068 -1.4113 -1.4113 -0.8043 -0.8043 8.9600 8.9600 10.4629 10.4629 13.9996 13.9996 k = 0.4018 0.2308-0.2974 ( 1378 PWs) bands (ev): -13.8425 -13.8425 -2.9174 -2.9174 -1.7158 -1.7158 -1.4187 -1.4187 -0.8482 -0.8482 8.9326 8.9326 10.5424 10.5424 14.0263 14.0263 k = 0.4107 0.2360-0.3040 ( 1378 PWs) bands (ev): -13.8347 -13.8347 -2.9186 -2.9186 -1.7240 -1.7240 -1.4255 -1.4255 -0.8898 -0.8898 8.9074 8.9074 10.6191 10.6191 14.0509 14.0509 k = 0.4196 0.2411-0.3106 ( 1376 PWs) bands (ev): -13.8276 -13.8276 -2.9190 -2.9190 -1.7316 -1.7316 -1.4317 -1.4317 -0.9288 -0.9288 8.8847 8.8847 10.6921 10.6921 14.0733 14.0733 k = 0.4286 0.2462-0.3172 ( 1376 PWs) bands (ev): -13.8212 -13.8212 -2.9187 -2.9187 -1.7384 -1.7384 -1.4373 -1.4373 -0.9648 -0.9648 8.8642 8.8642 10.7605 10.7605 14.0935 14.0935 k = 0.4375 0.2513-0.3238 ( 1376 PWs) bands (ev): -13.8155 -13.8155 -2.9178 -2.9178 -1.7444 -1.7444 -1.4423 -1.4423 -0.9975 -0.9975 8.8462 8.8462 10.8235 10.8235 14.1114 14.1114 k = 0.4464 0.2565-0.3304 ( 1376 PWs) bands (ev): -13.8105 -13.8105 -2.9166 -2.9166 -1.7497 -1.7497 -1.4466 -1.4466 -1.0266 -1.0266 8.8305 8.8305 10.8802 10.8802 14.1269 14.1269 k = 0.4554 0.2616-0.3370 ( 1376 PWs) bands (ev): -13.8063 -13.8063 -2.9153 -2.9153 -1.7541 -1.7541 -1.4503 -1.4503 -1.0518 -1.0518 8.8172 8.8172 10.9298 10.9298 14.1400 14.1400 k = 0.4643 0.2667-0.3436 ( 1380 PWs) bands (ev): -13.8028 -13.8028 -2.9139 -2.9139 -1.7578 -1.7578 -1.4533 -1.4533 -1.0728 -1.0728 8.8063 8.8063 10.9715 10.9715 14.1507 14.1507 k = 0.4732 0.2719-0.3503 ( 1384 PWs) bands (ev): -13.8000 -13.8000 -2.9127 -2.9127 -1.7606 -1.7606 -1.4556 -1.4556 -1.0894 -1.0894 8.7979 8.7979 11.0047 11.0047 14.1590 14.1590 k = 0.4821 0.2770-0.3569 ( 1380 PWs) bands (ev): -13.7981 -13.7981 -2.9117 -2.9117 -1.7627 -1.7627 -1.4573 -1.4573 -1.1014 -1.1014 8.7918 8.7918 11.0288 11.0288 14.1650 14.1650 k = 0.4911 0.2821-0.3635 ( 1376 PWs) bands (ev): -13.7969 -13.7969 -2.9111 -2.9111 -1.7639 -1.7639 -1.4583 -1.4583 -1.1086 -1.1086 8.7882 8.7882 11.0434 11.0434 14.1685 14.1685 k = 0.5000 0.2872-0.3701 ( 1376 PWs) bands (ev): -13.7965 -13.7965 -2.9109 -2.9109 -1.7643 -1.7643 -1.4587 -1.4587 -1.1110 -1.1110 8.7870 8.7870 11.0484 11.0484 14.1697 14.1697 k = 0.5000 0.2872-0.3701 ( 1376 PWs) bands (ev): -13.7965 -13.7965 -2.9109 -2.9109 -1.7643 -1.7643 -1.4587 -1.4587 -1.1110 -1.1110 8.7870 8.7870 11.0484 11.0484 14.1697 14.1697 k = 0.5085 0.2817-0.3629 ( 1372 PWs) bands (ev): -13.7963 -13.7963 -2.9102 -2.9102 -1.7655 -1.7655 -1.4767 -1.4767 -1.0919 -1.0919 8.7895 8.7895 11.0460 11.0460 14.1224 14.1224 k = 0.5169 0.2762-0.3558 ( 1372 PWs) bands (ev): -13.7959 -13.7959 -2.9081 -2.9081 -1.7692 -1.7692 -1.5222 -1.5222 -1.0433 -1.0433 8.7970 8.7970 11.0389 11.0389 14.0067 14.0067 k = 0.5254 0.2706-0.3487 ( 1368 PWs) bands (ev): -13.7951 -13.7951 -2.9046 -2.9046 -1.7755 -1.7755 -1.5815 -1.5815 -0.9786 -0.9786 8.8094 8.8094 11.0270 11.0270 13.8574 13.8574 k = 0.5339 0.2651-0.3415 ( 1372 PWs) bands (ev): -13.7940 -13.7940 -2.8996 -2.8996 -1.7851 -1.7851 -1.6460 -1.6460 -0.9058 -0.9058 8.8268 8.8268 11.0106 11.0106 13.6919 13.6919 k = 0.5423 0.2595-0.3344 ( 1376 PWs) bands (ev): -13.7927 -13.7927 -2.8933 -2.8933 -1.8000 -1.8000 -1.7097 -1.7097 -0.8289 -0.8289 8.8490 8.8490 10.9897 10.9897 13.5184 13.5184 k = 0.5508 0.2540-0.3272 ( 1376 PWs) bands (ev): -13.7910 -13.7910 -2.8856 -2.8856 -1.8281 -1.8281 -1.7630 -1.7630 -0.7498 -0.7498 8.8761 8.8761 10.9643 10.9643 13.3414 13.3414 k = 0.5593 0.2484-0.3201 ( 1380 PWs) bands (ev): -13.7891 -13.7891 -2.8765 -2.8765 -1.8790 -1.8790 -1.7950 -1.7950 -0.6697 -0.6697 8.9078 8.9078 10.9348 10.9348 13.1636 13.1636 k = 0.5678 0.2429-0.3130 ( 1380 PWs) bands (ev): -13.7869 -13.7869 -2.8661 -2.8661 -1.9416 -1.9416 -1.8163 -1.8163 -0.5893 -0.5893 8.9442 8.9442 10.9013 10.9013 12.9868 12.9868 k = 0.5762 0.2374-0.3058 ( 1384 PWs) bands (ev): -13.7844 -13.7844 -2.8543 -2.8543 -2.0064 -2.0064 -1.8356 -1.8356 -0.5093 -0.5093 8.9851 8.9851 10.8640 10.8640 12.8125 12.8125 k = 0.5847 0.2318-0.2987 ( 1384 PWs) bands (ev): -13.7816 -13.7816 -2.8412 -2.8412 -2.0707 -2.0707 -1.8554 -1.8554 -0.4302 -0.4302 9.0305 9.0305 10.8230 10.8230 12.6418 12.6418 k = 0.5932 0.2263-0.2915 ( 1384 PWs) bands (ev): -13.7786 -13.7786 -2.8269 -2.8269 -2.1337 -2.1337 -1.8763 -1.8763 -0.3523 -0.3523 9.0801 9.0801 10.7786 10.7786 12.4755 12.4755 k = 0.6016 0.2207-0.2844 ( 1384 PWs) bands (ev): -13.7754 -13.7754 -2.8113 -2.8113 -2.1948 -2.1948 -1.8985 -1.8985 -0.2761 -0.2761 9.1338 9.1338 10.7311 10.7311 12.3145 12.3145 k = 0.6101 0.2152-0.2773 ( 1388 PWs) bands (ev): -13.7719 -13.7719 -2.7945 -2.7945 -2.2537 -2.2537 -1.9218 -1.9218 -0.2020 -0.2020 9.1915 9.1915 10.6806 10.6806 12.1594 12.1594 k = 0.6186 0.2097-0.2701 ( 1384 PWs) bands (ev): -13.7683 -13.7683 -2.7765 -2.7765 -2.3103 -2.3103 -1.9464 -1.9464 -0.1304 -0.1304 9.2531 9.2531 10.6274 10.6274 12.0110 12.0110 k = 0.6270 0.2041-0.2630 ( 1386 PWs) bands (ev): -13.7644 -13.7644 -2.7574 -2.7574 -2.3644 -2.3644 -1.9722 -1.9722 -0.0616 -0.0616 9.3183 9.3183 10.5717 10.5717 11.8696 11.8696 k = 0.6355 0.1986-0.2558 ( 1382 PWs) bands (ev): -13.7603 -13.7603 -2.7374 -2.7374 -2.4158 -2.4158 -1.9990 -1.9990 0.0039 0.0039 9.3870 9.3870 10.5138 10.5138 11.7360 11.7360 k = 0.6440 0.1930-0.2487 ( 1382 PWs) bands (ev): -13.7561 -13.7561 -2.7165 -2.7165 -2.4643 -2.4643 -2.0268 -2.0268 0.0657 0.0657 9.4590 9.4590 10.4538 10.4538 11.6105 11.6105 k = 0.6524 0.1875-0.2416 ( 1382 PWs) bands (ev): -13.7517 -13.7517 -2.6951 -2.6951 -2.5095 -2.5095 -2.0555 -2.0555 0.1235 0.1235 9.5341 9.5341 10.3919 10.3919 11.4938 11.4938 k = 0.6609 0.1819-0.2344 ( 1382 PWs) bands (ev): -13.7472 -13.7472 -2.6739 -2.6739 -2.5505 -2.5505 -2.0849 -2.0849 0.1770 0.1770 9.6122 9.6122 10.3285 10.3285 11.3863 11.3863 k = 0.6694 0.1764-0.2273 ( 1378 PWs) bands (ev): -13.7426 -13.7426 -2.6564 -2.6564 -2.5841 -2.5841 -2.1149 -2.1149 0.2257 0.2257 9.6929 9.6929 10.2636 10.2636 11.2883 11.2883 k = 0.6778 0.1709-0.2201 ( 1378 PWs) bands (ev): -13.7379 -13.7379 -2.6568 -2.6568 -2.5960 -2.5960 -2.1455 -2.1455 0.2693 0.2693 9.7762 9.7762 10.1975 10.1975 11.2004 11.2004 k = 0.6863 0.1653-0.2130 ( 1378 PWs) bands (ev): -13.7331 -13.7331 -2.6801 -2.6801 -2.5811 -2.5811 -2.1765 -2.1765 0.3075 0.3075 9.8616 9.8616 10.1304 10.1304 11.1229 11.1229 k = 0.6948 0.1598-0.2059 ( 1386 PWs) bands (ev): -13.7282 -13.7282 -2.7083 -2.7083 -2.5576 -2.5576 -2.2077 -2.2077 0.3400 0.3400 9.9487 9.9487 10.0630 10.0630 11.0561 11.0561 k = 0.7033 0.1542-0.1987 ( 1386 PWs) bands (ev): -13.7232 -13.7232 -2.7352 -2.7352 -2.5316 -2.5316 -2.2390 -2.2390 0.3666 0.3666 9.9900 9.9900 10.0426 10.0426 11.0004 11.0004 k = 0.7117 0.1487-0.1916 ( 1388 PWs) bands (ev): -13.7183 -13.7183 -2.7597 -2.7597 -2.5046 -2.5046 -2.2700 -2.2700 0.3870 0.3870 9.9228 9.9228 10.1318 10.1318 10.9559 10.9559 k = 0.7202 0.1431-0.1844 ( 1388 PWs) bands (ev): -13.7133 -13.7133 -2.7814 -2.7814 -2.4773 -2.4773 -2.3005 -2.3005 0.4010 0.4010 9.8534 9.8534 10.2243 10.2243 10.9229 10.9229 k = 0.7287 0.1376-0.1773 ( 1388 PWs) bands (ev): -13.7083 -13.7083 -2.7999 -2.7999 -2.4511 -2.4511 -2.3290 -2.3290 0.4086 0.4086 9.7835 9.7835 10.3183 10.3183 10.9015 10.9015 k = 0.7371 0.1321-0.1702 ( 1384 PWs) bands (ev): -13.7033 -13.7033 -2.8154 -2.8154 -2.4303 -2.4303 -2.3515 -2.3515 0.4097 0.4097 9.7135 9.7135 10.4134 10.4134 10.8917 10.8917 k = 0.7456 0.1265-0.1630 ( 1388 PWs) bands (ev): -13.6983 -13.6983 -2.8276 -2.8276 -2.4278 -2.4278 -2.3550 -2.3550 0.4042 0.4042 9.6436 9.6436 10.5094 10.5094 10.8937 10.8937 k = 0.7541 0.1210-0.1559 ( 1384 PWs) bands (ev): -13.6934 -13.6934 -2.8366 -2.8366 -2.4470 -2.4470 -2.3360 -2.3360 0.3923 0.3923 9.5739 9.5739 10.6059 10.6059 10.9074 10.9074 k = 0.7625 0.1154-0.1487 ( 1384 PWs) bands (ev): -13.6886 -13.6886 -2.8424 -2.8424 -2.4738 -2.4738 -2.3088 -2.3088 0.3739 0.3739 9.5046 9.5046 10.7028 10.7028 10.9326 10.9326 k = 0.7710 0.1099-0.1416 ( 1386 PWs) bands (ev): -13.6838 -13.6838 -2.8449 -2.8449 -2.5024 -2.5024 -2.2791 -2.2791 0.3493 0.3493 9.4358 9.4358 10.7997 10.7997 10.9693 10.9693 k = 0.7795 0.1044-0.1344 ( 1384 PWs) bands (ev): -13.6791 -13.6791 -2.8442 -2.8442 -2.5314 -2.5314 -2.2484 -2.2484 0.3187 0.3187 9.3677 9.3677 10.8966 10.8966 11.0171 11.0171 k = 0.7879 0.0988-0.1273 ( 1386 PWs) bands (ev): -13.6745 -13.6745 -2.8403 -2.8403 -2.5601 -2.5601 -2.2172 -2.2172 0.2823 0.2823 9.3004 9.3004 10.9930 10.9930 11.0760 11.0760 k = 0.7964 0.0933-0.1202 ( 1382 PWs) bands (ev): -13.6700 -13.6700 -2.8333 -2.8333 -2.5883 -2.5883 -2.1859 -2.1859 0.2404 0.2404 9.2341 9.2341 11.0887 11.0887 11.1456 11.1456 k = 0.8049 0.0877-0.1130 ( 1382 PWs) bands (ev): -13.6656 -13.6656 -2.8232 -2.8232 -2.6156 -2.6156 -2.1546 -2.1546 0.1932 0.1932 9.1689 9.1689 11.1834 11.1834 11.2256 11.2256 k = 0.8134 0.0822-0.1059 ( 1382 PWs) bands (ev): -13.6614 -13.6614 -2.8103 -2.8103 -2.6420 -2.6420 -2.1235 -2.1235 0.1413 0.1413 9.1049 9.1049 11.2771 11.2771 11.3155 11.3155 k = 0.8134 0.0822-0.1059 ( 1382 PWs) bands (ev): -13.6614 -13.6614 -2.8103 -2.8103 -2.6420 -2.6420 -2.1235 -2.1235 0.1413 0.1413 9.1049 9.1049 11.2771 11.2771 11.3155 11.3155 k = 0.8126 0.0748-0.0964 ( 1382 PWs) bands (ev): -13.6587 -13.6587 -2.8021 -2.8021 -2.6585 -2.6585 -2.1008 -2.1008 0.1043 0.1043 9.0620 9.0620 11.3387 11.3387 11.3821 11.3821 k = 0.8118 0.0674-0.0868 ( 1374 PWs) bands (ev): -13.6562 -13.6562 -2.7963 -2.7963 -2.6738 -2.6738 -2.0742 -2.0742 0.0662 0.0662 9.0182 9.0182 11.3986 11.3986 11.4556 11.4556 k = 0.8110 0.0600-0.0773 ( 1372 PWs) bands (ev): -13.6539 -13.6539 -2.7928 -2.7928 -2.6879 -2.6879 -2.0444 -2.0444 0.0271 0.0271 8.9744 8.9744 11.4563 11.4563 11.5356 11.5356 k = 0.8102 0.0526-0.0677 ( 1368 PWs) bands (ev): -13.6518 -13.6518 -2.7911 -2.7911 -2.7005 -2.7005 -2.0122 -2.0122 -0.0128 -0.0128 8.9316 8.9316 11.5112 11.5112 11.6217 11.6217 k = 0.8094 0.0452-0.0582 ( 1365 PWs) bands (ev): -13.6498 -13.6498 -2.7910 -2.7910 -2.7117 -2.7117 -1.9783 -1.9783 -0.0531 -0.0531 8.8903 8.8903 11.5628 11.5628 11.7134 11.7134 k = 0.8086 0.0378-0.0487 ( 1365 PWs) bands (ev): -13.6480 -13.6480 -2.7920 -2.7920 -2.7214 -2.7214 -1.9434 -1.9434 -0.0936 -0.0936 8.8512 8.8512 11.6106 11.6106 11.8103 11.8103 k = 0.8078 0.0304-0.0391 ( 1365 PWs) bands (ev): -13.6463 -13.6463 -2.7940 -2.7940 -2.7294 -2.7294 -1.9083 -1.9083 -0.1338 -0.1338 8.8150 8.8150 11.6541 11.6541 11.9119 11.9119 k = 0.8071 0.0230-0.0296 ( 1365 PWs) bands (ev): -13.6448 -13.6448 -2.7967 -2.7967 -2.7357 -2.7357 -1.8739 -1.8739 -0.1733 -0.1733 8.7822 8.7822 11.6928 11.6928 12.0178 12.0178 k = 0.8063 0.0156-0.0201 ( 1366 PWs) bands (ev): -13.6433 -13.6433 -2.7998 -2.7998 -2.7404 -2.7404 -1.8409 -1.8409 -0.2116 -0.2116 8.7532 8.7532 11.7262 11.7262 12.1274 12.1274 k = 0.8055 0.0082-0.0105 ( 1366 PWs) bands (ev): -13.6420 -13.6420 -2.8030 -2.8030 -2.7434 -2.7434 -1.8102 -1.8102 -0.2480 -0.2480 8.7283 8.7283 11.7536 11.7536 12.2401 12.2401 k = 0.8047 0.0008-0.0010 ( 1362 PWs) bands (ev): -13.6408 -13.6408 -2.8061 -2.8061 -2.7448 -2.7448 -1.7827 -1.7827 -0.2820 -0.2820 8.7080 8.7080 11.7748 11.7748 12.3550 12.3550 k = 0.8039-0.0066 0.0086 ( 1363 PWs) bands (ev): -13.6396 -13.6396 -2.8088 -2.8088 -2.7448 -2.7448 -1.7591 -1.7591 -0.3129 -0.3129 8.6926 8.6926 11.7892 11.7892 12.4691 12.4691 k = 0.8031-0.0140 0.0181 ( 1363 PWs) bands (ev): -13.6385 -13.6385 -2.8110 -2.8110 -2.7433 -2.7433 -1.7403 -1.7403 -0.3401 -0.3401 8.6822 8.6822 11.7966 11.7966 12.5710 12.5710 k = 0.8023-0.0215 0.0276 ( 1357 PWs) bands (ev): -13.6375 -13.6375 -2.8125 -2.8125 -2.7404 -2.7404 -1.7271 -1.7271 -0.3628 -0.3628 8.6770 8.6770 11.7967 11.7967 12.5923 12.5923 k = 0.8015-0.0289 0.0372 ( 1353 PWs) bands (ev): -13.6366 -13.6366 -2.8131 -2.8131 -2.7361 -2.7361 -1.7201 -1.7201 -0.3806 -0.3806 8.6772 8.6772 11.7894 11.7894 12.4955 12.4955 k = 0.8008-0.0363 0.0467 ( 1349 PWs) bands (ev): -13.6357 -13.6357 -2.8129 -2.8129 -2.7305 -2.7305 -1.7198 -1.7198 -0.3931 -0.3931 8.6830 8.6830 11.7748 11.7748 12.3718 12.3718 k = 0.8000-0.0437 0.0562 ( 1347 PWs) bands (ev): -13.6349 -13.6349 -2.8118 -2.8118 -2.7235 -2.7235 -1.7265 -1.7265 -0.4000 -0.4000 8.6943 8.6943 11.7529 11.7529 12.2449 12.2449 k = 0.7992-0.0511 0.0658 ( 1348 PWs) bands (ev): -13.6341 -13.6341 -2.8096 -2.8096 -2.7151 -2.7151 -1.7401 -1.7401 -0.4016 -0.4016 8.7112 8.7112 11.7240 11.7240 12.1191 12.1191 k = 0.7984-0.0585 0.0753 ( 1348 PWs) bands (ev): -13.6335 -13.6335 -2.8065 -2.8065 -2.7053 -2.7053 -1.7604 -1.7604 -0.3980 -0.3980 8.7338 8.7338 11.6884 11.6884 11.9959 11.9959 k = 0.7976-0.0659 0.0849 ( 1346 PWs) bands (ev): -13.6329 -13.6329 -2.8023 -2.8023 -2.6941 -2.6941 -1.7870 -1.7870 -0.3896 -0.3896 8.7619 8.7619 11.6465 11.6465 11.8757 11.8757 k = 0.7968-0.0733 0.0944 ( 1346 PWs) bands (ev): -13.6324 -13.6324 -2.7971 -2.7971 -2.6816 -2.6816 -1.8192 -1.8192 -0.3771 -0.3771 8.7955 8.7955 11.5988 11.5988 11.7592 11.7592 k = 0.7960-0.0807 0.1039 ( 1344 PWs) bands (ev): -13.6319 -13.6319 -2.7908 -2.7908 -2.6676 -2.6676 -1.8565 -1.8565 -0.3612 -0.3612 8.8344 8.8344 11.5458 11.5458 11.6466 11.6466 k = 0.7953-0.0881 0.1135 ( 1346 PWs) bands (ev): -13.6316 -13.6316 -2.7835 -2.7835 -2.6523 -2.6523 -1.8981 -1.8981 -0.3426 -0.3426 8.8785 8.8785 11.4877 11.4877 11.5385 11.5385 k = 0.7945-0.0955 0.1230 ( 1345 PWs) bands (ev): -13.6313 -13.6313 -2.7752 -2.7752 -2.6356 -2.6356 -1.9432 -1.9432 -0.3219 -0.3219 8.9275 8.9275 11.4224 11.4224 11.4380 11.4380 k = 0.7937-0.1029 0.1326 ( 1345 PWs) bands (ev): -13.6312 -13.6312 -2.7659 -2.7659 -2.6175 -2.6175 -1.9912 -1.9912 -0.2997 -0.2997 8.9811 8.9811 11.3323 11.3323 11.3634 11.3634 k = 0.7929-0.1103 0.1421 ( 1343 PWs) bands (ev): -13.6312 -13.6312 -2.7556 -2.7556 -2.5980 -2.5980 -2.0415 -2.0415 -0.2767 -0.2767 9.0390 9.0390 11.2389 11.2389 11.2942 11.2942 k = 0.7921-0.1177 0.1516 ( 1345 PWs) bands (ev): -13.6313 -13.6313 -2.7443 -2.7443 -2.5773 -2.5773 -2.0935 -2.0935 -0.2533 -0.2533 9.1006 9.1006 11.1504 11.1504 11.2230 11.2230 k = 0.7913-0.1251 0.1612 ( 1347 PWs) bands (ev): -13.6316 -13.6316 -2.7320 -2.7320 -2.5552 -2.5552 -2.1466 -2.1466 -0.2299 -0.2299 9.1654 9.1654 11.0678 11.0678 11.1498 11.1498 k = 0.7905-0.1325 0.1707 ( 1347 PWs) bands (ev): -13.6320 -13.6320 -2.7189 -2.7189 -2.5320 -2.5320 -2.2005 -2.2005 -0.2069 -0.2069 9.2326 9.2326 10.9917 10.9917 11.0751 11.0751 k = 0.7897-0.1399 0.1802 ( 1343 PWs) bands (ev): -13.6325 -13.6325 -2.7048 -2.7048 -2.5077 -2.5077 -2.2544 -2.2544 -0.1846 -0.1846 9.3014 9.3014 10.9227 10.9227 10.9992 10.9992 k = 0.7890-0.1473 0.1898 ( 1341 PWs) bands (ev): -13.6333 -13.6333 -2.6900 -2.6900 -2.4826 -2.4826 -2.3077 -2.3077 -0.1632 -0.1632 9.3705 9.3705 10.8618 10.8618 10.9224 10.9224 k = 0.7882-0.1547 0.1993 ( 1349 PWs) bands (ev): -13.6343 -13.6343 -2.6746 -2.6746 -2.4583 -2.4583 -2.3587 -2.3587 -0.1429 -0.1429 9.4387 9.4387 10.8099 10.8099 10.8454 10.8454 k = 0.7874-0.1621 0.2089 ( 1350 PWs) bands (ev): -13.6355 -13.6355 -2.6587 -2.6587 -2.4460 -2.4460 -2.3955 -2.3955 -0.1239 -0.1239 9.5041 9.5041 10.7650 10.7650 10.7717 10.7717 k = 0.7874-0.1621 0.2089 ( 1350 PWs) bands (ev): -13.6355 -13.6355 -2.6587 -2.6587 -2.4460 -2.4460 -2.3955 -2.3955 -0.1239 -0.1239 9.5041 9.5041 10.7650 10.7650 10.7717 10.7717 k = 0.7807-0.1596 0.2187 ( 1352 PWs) bands (ev): -13.6369 -13.6369 -2.6525 -2.6525 -2.4503 -2.4503 -2.4036 -2.4036 -0.1053 -0.1053 9.5707 9.5707 10.6382 10.6382 10.7841 10.7841 k = 0.7740-0.1570 0.2286 ( 1352 PWs) bands (ev): -13.6386 -13.6386 -2.6653 -2.6653 -2.4584 -2.4584 -2.3861 -2.3861 -0.0879 -0.0879 9.6386 9.6386 10.5100 10.5100 10.8037 10.8037 k = 0.7673-0.1545 0.2385 ( 1353 PWs) bands (ev): -13.6404 -13.6404 -2.6898 -2.6898 -2.4733 -2.4733 -2.3474 -2.3474 -0.0717 -0.0717 9.7076 9.7076 10.3840 10.3840 10.8277 10.8277 k = 0.7607-0.1520 0.2484 ( 1354 PWs) bands (ev): -13.6425 -13.6425 -2.7200 -2.7200 -2.4899 -2.4899 -2.2988 -2.2988 -0.0568 -0.0568 9.7774 9.7774 10.2608 10.2608 10.8562 10.8562 k = 0.7540-0.1494 0.2583 ( 1354 PWs) bands (ev): -13.6446 -13.6446 -2.7525 -2.7525 -2.5064 -2.5064 -2.2454 -2.2454 -0.0432 -0.0432 9.8477 9.8477 10.1410 10.1410 10.8890 10.8890 k = 0.7473-0.1469 0.2682 ( 1354 PWs) bands (ev): -13.6469 -13.6469 -2.7858 -2.7858 -2.5226 -2.5226 -2.1893 -2.1893 -0.0310 -0.0310 9.9181 9.9181 10.0254 10.0254 10.9264 10.9264 k = 0.7406-0.1444 0.2781 ( 1352 PWs) bands (ev): -13.6493 -13.6493 -2.8190 -2.8190 -2.5380 -2.5380 -2.1318 -2.1318 -0.0202 -0.0202 9.9121 9.9121 9.9904 9.9904 10.9683 10.9683 k = 0.7339-0.1418 0.2880 ( 1354 PWs) bands (ev): -13.6518 -13.6518 -2.8516 -2.8516 -2.5528 -2.5528 -2.0737 -2.0737 -0.0107 -0.0107 9.8054 9.8054 10.0603 10.0603 11.0148 11.0148 k = 0.7272-0.1393 0.2979 ( 1354 PWs) bands (ev): -13.6543 -13.6543 -2.8833 -2.8833 -2.5667 -2.5667 -2.0157 -2.0157 -0.0024 -0.0024 9.7032 9.7032 10.1301 10.1301 11.0658 11.0658 k = 0.7206-0.1368 0.3078 ( 1352 PWs) bands (ev): -13.6569 -13.6569 -2.9140 -2.9140 -2.5797 -2.5797 -1.9583 -1.9583 0.0050 0.0050 9.6062 9.6062 10.1991 10.1991 11.1213 11.1213 k = 0.7139-0.1342 0.3177 ( 1350 PWs) bands (ev): -13.6594 -13.6594 -2.9435 -2.9435 -2.5919 -2.5919 -1.9020 -1.9020 0.0115 0.0115 9.5147 9.5147 10.2669 10.2669 11.1814 11.1814 k = 0.7072-0.1317 0.3276 ( 1350 PWs) bands (ev): -13.6620 -13.6620 -2.9718 -2.9718 -2.6031 -2.6031 -1.8473 -1.8473 0.0176 0.0176 9.4289 9.4289 10.3330 10.3330 11.2458 11.2458 k = 0.7005-0.1292 0.3375 ( 1350 PWs) bands (ev): -13.6646 -13.6646 -2.9987 -2.9987 -2.6134 -2.6134 -1.7949 -1.7949 0.0235 0.0235 9.3491 9.3491 10.3972 10.3972 11.3147 11.3147 k = 0.6938-0.1266 0.3474 ( 1352 PWs) bands (ev): -13.6671 -13.6671 -3.0243 -3.0243 -2.6227 -2.6227 -1.7452 -1.7452 0.0296 0.0296 9.2753 9.2753 10.4590 10.4590 11.3877 11.3877 k = 0.6871-0.1241 0.3573 ( 1354 PWs) bands (ev): -13.6696 -13.6696 -3.0484 -3.0484 -2.6309 -2.6309 -1.6990 -1.6990 0.0364 0.0364 9.2078 9.2078 10.5182 10.5182 11.4649 11.4649 k = 0.6805-0.1216 0.3671 ( 1354 PWs) bands (ev): -13.6720 -13.6720 -3.0711 -3.0711 -2.6381 -2.6381 -1.6568 -1.6568 0.0444 0.0444 9.1467 9.1467 10.5743 10.5743 11.5460 11.5460 k = 0.6738-0.1190 0.3770 ( 1358 PWs) bands (ev): -13.6743 -13.6743 -3.0924 -3.0924 -2.6443 -2.6443 -1.6191 -1.6191 0.0540 0.0540 9.0920 9.0920 10.6269 10.6269 11.6307 11.6307 k = 0.6671-0.1165 0.3869 ( 1358 PWs) bands (ev): -13.6765 -13.6765 -3.1122 -3.1122 -2.6494 -2.6494 -1.5867 -1.5867 0.0658 0.0658 9.0438 9.0438 10.6758 10.6758 11.7188 11.7188 k = 0.6604-0.1140 0.3968 ( 1360 PWs) bands (ev): -13.6787 -13.6787 -3.1305 -3.1305 -2.6534 -2.6534 -1.5599 -1.5599 0.0802 0.0802 9.0021 9.0021 10.7205 10.7205 11.8097 11.8097 k = 0.6537-0.1114 0.4067 ( 1360 PWs) bands (ev): -13.6807 -13.6807 -3.1474 -3.1474 -2.6563 -2.6563 -1.5391 -1.5391 0.0976 0.0976 8.9670 8.9670 10.7608 10.7608 11.9028 11.9028 k = 0.6470-0.1089 0.4166 ( 1358 PWs) bands (ev): -13.6827 -13.6827 -3.1629 -3.1629 -2.6580 -2.6580 -1.5248 -1.5248 0.1182 0.1182 8.9383 8.9383 10.7965 10.7965 11.9971 11.9971 k = 0.6404-0.1064 0.4265 ( 1358 PWs) bands (ev): -13.6845 -13.6845 -3.1770 -3.1770 -2.6586 -2.6586 -1.5169 -1.5169 0.1423 0.1423 8.9161 8.9161 10.8273 10.8273 12.0912 12.0912 k = 0.6337-0.1038 0.4364 ( 1360 PWs) bands (ev): -13.6862 -13.6862 -3.1896 -3.1896 -2.6581 -2.6581 -1.5155 -1.5155 0.1697 0.1697 8.9002 8.9002 10.8530 10.8530 12.1828 12.1828 k = 0.6270-0.1013 0.4463 ( 1358 PWs) bands (ev): -13.6878 -13.6878 -3.2010 -3.2010 -2.6564 -2.6564 -1.5204 -1.5204 0.2004 0.2004 8.8906 8.8906 10.8735 10.8735 12.2679 12.2679 k = 0.6203-0.0988 0.4562 ( 1360 PWs) bands (ev): -13.6892 -13.6892 -3.2110 -3.2110 -2.6536 -2.6536 -1.5313 -1.5313 0.2340 0.2340 8.8872 8.8872 10.8888 10.8888 12.3397 12.3397 k = 0.6136-0.0962 0.4661 ( 1361 PWs) bands (ev): -13.6906 -13.6906 -3.2197 -3.2197 -2.6496 -2.6496 -1.5478 -1.5478 0.2704 0.2704 8.8897 8.8897 10.8988 10.8988 12.3881 12.3881 k = 0.6069-0.0937 0.4760 ( 1363 PWs) bands (ev): -13.6919 -13.6919 -3.2273 -3.2273 -2.6445 -2.6445 -1.5694 -1.5694 0.3090 0.3090 8.8979 8.8979 10.9037 10.9037 12.4018 12.4018 k = 0.6003-0.0912 0.4859 ( 1363 PWs) bands (ev): -13.6930 -13.6930 -3.2337 -3.2337 -2.6382 -2.6382 -1.5954 -1.5954 0.3493 0.3493 8.9117 8.9117 10.9034 10.9034 12.3773 12.3773 k = 0.5936-0.0886 0.4958 ( 1361 PWs) bands (ev): -13.6941 -13.6941 -3.2390 -3.2390 -2.6308 -2.6308 -1.6253 -1.6253 0.3910 0.3910 8.9308 8.9308 10.8981 10.8981 12.3225 12.3225 k = 0.5869-0.0861 0.5057 ( 1363 PWs) bands (ev): -13.6951 -13.6951 -3.2434 -3.2434 -2.6222 -2.6222 -1.6585 -1.6585 0.4335 0.4335 8.9549 8.9549 10.8881 10.8881 12.2493 12.2493 k = 0.5802-0.0835 0.5156 ( 1365 PWs) bands (ev): -13.6960 -13.6960 -3.2468 -3.2468 -2.6125 -2.6125 -1.6944 -1.6944 0.4763 0.4763 8.9836 8.9836 10.8735 10.8735 12.1664 12.1664 k = 0.5735-0.0810 0.5254 ( 1363 PWs) bands (ev): -13.6969 -13.6969 -3.2495 -3.2495 -2.6016 -2.6016 -1.7323 -1.7323 0.5190 0.5190 9.0166 9.0166 10.8547 10.8547 12.0795 12.0795 k = 0.5668-0.0785 0.5353 ( 1363 PWs) bands (ev): -13.6977 -13.6977 -3.2515 -3.2515 -2.5897 -2.5897 -1.7716 -1.7716 0.5613 0.5613 9.0534 9.0534 10.8318 10.8318 11.9917 11.9917 k = 0.5602-0.0759 0.5452 ( 1365 PWs) bands (ev): -13.6985 -13.6985 -3.2530 -3.2530 -2.5766 -2.5766 -1.8118 -1.8118 0.6028 0.6028 9.0935 9.0935 10.8052 10.8052 11.9051 11.9051 k = 0.5535-0.0734 0.5551 ( 1367 PWs) bands (ev): -13.6994 -13.6994 -3.2541 -3.2541 -2.5625 -2.5625 -1.8524 -1.8524 0.6430 0.6430 9.1365 9.1365 10.7753 10.7753 11.8211 11.8211 k = 0.5468-0.0709 0.5650 ( 1365 PWs) bands (ev): -13.7002 -13.7002 -3.2550 -3.2550 -2.5473 -2.5473 -1.8927 -1.8927 0.6819 0.6819 9.1816 9.1816 10.7422 10.7422 11.7407 11.7407 k = 0.5401-0.0683 0.5749 ( 1361 PWs) bands (ev): -13.7010 -13.7010 -3.2559 -3.2559 -2.5311 -2.5311 -1.9322 -1.9322 0.7190 0.7190 9.2283 9.2283 10.7065 10.7065 11.6647 11.6647 k = 0.5334-0.0658 0.5848 ( 1359 PWs) bands (ev): -13.7019 -13.7019 -3.2569 -3.2569 -2.5138 -2.5138 -1.9705 -1.9705 0.7541 0.7541 9.2757 9.2757 10.6682 10.6682 11.5939 11.5939 k = 0.5267-0.0633 0.5947 ( 1357 PWs) bands (ev): -13.7029 -13.7029 -3.2582 -3.2582 -2.4956 -2.4956 -2.0070 -2.0070 0.7871 0.7871 9.3230 9.3230 10.6278 10.6278 11.5288 11.5288 k = 0.5201-0.0607 0.6046 ( 1355 PWs) bands (ev): -13.7040 -13.7040 -3.2602 -3.2602 -2.4765 -2.4765 -2.0412 -2.0412 0.8178 0.8178 9.3694 9.3694 10.5856 10.5856 11.4702 11.4702 k = 0.5134-0.0582 0.6145 ( 1355 PWs) bands (ev): -13.7052 -13.7052 -3.2628 -3.2628 -2.4564 -2.4564 -2.0728 -2.0728 0.8461 0.8461 9.4139 9.4139 10.5419 10.5419 11.4185 11.4185 k = 0.5067-0.0557 0.6244 ( 1348 PWs) bands (ev): -13.7065 -13.7065 -3.2664 -3.2664 -2.4355 -2.4355 -2.1012 -2.1012 0.8718 0.8718 9.4555 9.4555 10.4969 10.4969 11.3742 11.3742 k = 0.5000-0.0531 0.6343 ( 1346 PWs) bands (ev): -13.7081 -13.7081 -3.2710 -3.2710 -2.4139 -2.4139 -2.1261 -2.1261 0.8948 0.8948 9.4934 9.4934 10.4510 10.4510 11.3379 11.3379 k = 0.5000 0.6276-0.1059 ( 1346 PWs) bands (ev): -13.7081 -13.7081 -3.2710 -3.2710 -2.4139 -2.4139 -2.1261 -2.1261 0.8948 0.8948 9.4934 9.4934 10.4510 10.4510 11.3379 11.3379 k = 0.5000 0.6179-0.1134 ( 1346 PWs) bands (ev): -13.7106 -13.7106 -3.2772 -3.2772 -2.3804 -2.3804 -2.1607 -2.1607 0.9241 0.9241 9.5483 9.5483 10.3802 10.3802 11.2949 11.2949 k = 0.5000 0.6082-0.1210 ( 1354 PWs) bands (ev): -13.7132 -13.7132 -3.2797 -3.2797 -2.3476 -2.3476 -2.1939 -2.1939 0.9456 0.9456 9.6040 9.6040 10.3094 10.3094 11.2643 11.2643 k = 0.5000 0.5985-0.1285 ( 1360 PWs) bands (ev): -13.7160 -13.7160 -3.2785 -3.2785 -2.3187 -2.3187 -2.2227 -2.2227 0.9594 0.9594 9.6605 9.6605 10.2387 10.2387 11.2464 11.2464 k = 0.5000 0.5887-0.1361 ( 1356 PWs) bands (ev): -13.7189 -13.7189 -3.2736 -3.2736 -2.3060 -2.3060 -2.2343 -2.2343 0.9651 0.9651 9.7176 9.7176 10.1683 10.1683 11.2413 11.2413 k = 0.5000 0.5790-0.1436 ( 1356 PWs) bands (ev): -13.7219 -13.7219 -3.2651 -3.2651 -2.3227 -2.3227 -2.2160 -2.2160 0.9629 0.9629 9.7752 9.7752 10.0983 10.0983 11.2490 11.2490 k = 0.5000 0.5693-0.1512 ( 1364 PWs) bands (ev): -13.7250 -13.7250 -3.2530 -3.2530 -2.3517 -2.3517 -2.1846 -2.1846 0.9525 0.9525 9.8330 9.8330 10.0290 10.0290 11.2695 11.2695 k = 0.5000 0.5596-0.1587 ( 1364 PWs) bands (ev): -13.7282 -13.7282 -3.2372 -3.2372 -2.3833 -2.3833 -2.1499 -2.1499 0.9343 0.9343 9.8897 9.8897 9.9618 9.9618 11.3027 11.3027 k = 0.5000 0.5498-0.1663 ( 1368 PWs) bands (ev): -13.7314 -13.7314 -3.2178 -3.2178 -2.4155 -2.4155 -2.1140 -2.1140 0.9084 0.9084 9.8872 9.8872 9.9547 9.9547 11.3484 11.3484 k = 0.5000 0.5401-0.1738 ( 1368 PWs) bands (ev): -13.7347 -13.7347 -3.1948 -3.1948 -2.4475 -2.4475 -2.0776 -2.0776 0.8749 0.8749 9.8218 9.8218 10.0116 10.0116 11.4064 11.4064 k = 0.5000 0.5304-0.1814 ( 1372 PWs) bands (ev): -13.7381 -13.7381 -3.1683 -3.1683 -2.4789 -2.4789 -2.0411 -2.0411 0.8343 0.8343 9.7556 9.7556 10.0701 10.0701 11.4763 11.4763 k = 0.5000 0.5207-0.1889 ( 1368 PWs) bands (ev): -13.7415 -13.7415 -3.1382 -3.1382 -2.5097 -2.5097 -2.0046 -2.0046 0.7867 0.7867 9.6904 9.6904 10.1288 10.1288 11.5578 11.5578 k = 0.5000 0.5109-0.1965 ( 1368 PWs) bands (ev): -13.7449 -13.7449 -3.1047 -3.1047 -2.5397 -2.5397 -1.9684 -1.9684 0.7326 0.7326 9.6262 9.6262 10.1873 10.1873 11.6504 11.6504 k = 0.5000 0.5012-0.2040 ( 1368 PWs) bands (ev): -13.7484 -13.7484 -3.0678 -3.0678 -2.5689 -2.5689 -1.9326 -1.9326 0.6725 0.6725 9.5634 9.5634 10.2454 10.2454 11.7536 11.7536 k = 0.5000 0.4915-0.2116 ( 1368 PWs) bands (ev): -13.7518 -13.7518 -3.0275 -3.0275 -2.5970 -2.5970 -1.8973 -1.8973 0.6066 0.6066 9.5021 9.5021 10.3030 10.3030 11.8670 11.8670 k = 0.5000 0.4818-0.2191 ( 1368 PWs) bands (ev): -13.7552 -13.7552 -2.9841 -2.9841 -2.6240 -2.6240 -1.8626 -1.8626 0.5356 0.5356 9.4424 9.4424 10.3599 10.3599 11.9900 11.9900 k = 0.5000 0.4720-0.2267 ( 1368 PWs) bands (ev): -13.7586 -13.7586 -2.9376 -2.9376 -2.6498 -2.6498 -1.8286 -1.8286 0.4598 0.4598 9.3845 9.3845 10.4159 10.4159 12.1219 12.1219 k = 0.5000 0.4623-0.2342 ( 1368 PWs) bands (ev): -13.7619 -13.7619 -2.8883 -2.8883 -2.6741 -2.6741 -1.7955 -1.7955 0.3798 0.3798 9.3285 9.3285 10.4709 10.4709 12.2622 12.2622 k = 0.5000 0.4526-0.2418 ( 1368 PWs) bands (ev): -13.7652 -13.7652 -2.8370 -2.8370 -2.6961 -2.6961 -1.7633 -1.7633 0.2959 0.2959 9.2745 9.2745 10.5246 10.5246 12.4101 12.4101 k = 0.5000 0.4428-0.2493 ( 1360 PWs) bands (ev): -13.7683 -13.7683 -2.7876 -2.7876 -2.7121 -2.7121 -1.7322 -1.7322 0.2088 0.2088 9.2226 9.2226 10.5768 10.5768 12.5651 12.5651 k = 0.5000 0.4331-0.2569 ( 1360 PWs) bands (ev): -13.7714 -13.7714 -2.7637 -2.7637 -2.6985 -2.6985 -1.7023 -1.7023 0.1187 0.1187 9.1731 9.1731 10.6275 10.6275 12.7261 12.7261 k = 0.5000 0.4234-0.2644 ( 1366 PWs) bands (ev): -13.7743 -13.7743 -2.7742 -2.7742 -2.6464 -2.6464 -1.6738 -1.6738 0.0263 0.0263 9.1260 9.1260 10.6762 10.6762 12.8923 12.8923 k = 0.5000 0.4137-0.2720 ( 1370 PWs) bands (ev): -13.7772 -13.7772 -2.7907 -2.7907 -2.5844 -2.5844 -1.6466 -1.6466 -0.0681 -0.0681 9.0815 9.0815 10.7229 10.7229 13.0626 13.0626 k = 0.5000 0.4039-0.2795 ( 1372 PWs) bands (ev): -13.7798 -13.7798 -2.8075 -2.8075 -2.5183 -2.5183 -1.6209 -1.6209 -0.1640 -0.1640 9.0397 9.0397 10.7673 10.7673 13.2353 13.2353 k = 0.5000 0.3942-0.2870 ( 1376 PWs) bands (ev): -13.7824 -13.7824 -2.8234 -2.8234 -2.4494 -2.4494 -1.5969 -1.5969 -0.2608 -0.2608 9.0007 9.0007 10.8092 10.8092 13.4081 13.4081 k = 0.5000 0.3845-0.2946 ( 1376 PWs) bands (ev): -13.7847 -13.7847 -2.8383 -2.8383 -2.3783 -2.3783 -1.5745 -1.5745 -0.3582 -0.3582 8.9647 8.9647 10.8484 10.8484 13.5776 13.5776 k = 0.5000 0.3748-0.3021 ( 1380 PWs) bands (ev): -13.7869 -13.7869 -2.8518 -2.8518 -2.3052 -2.3052 -1.5540 -1.5540 -0.4556 -0.4556 8.9317 8.9317 10.8846 10.8846 13.7377 13.7377 k = 0.5000 0.3650-0.3097 ( 1380 PWs) bands (ev): -13.7888 -13.7888 -2.8641 -2.8641 -2.2308 -2.2308 -1.5353 -1.5353 -0.5523 -0.5523 8.9019 8.9019 10.9177 10.9177 13.8790 13.8790 k = 0.5000 0.3553-0.3172 ( 1382 PWs) bands (ev): -13.7906 -13.7906 -2.8750 -2.8750 -2.1555 -2.1555 -1.5185 -1.5185 -0.6477 -0.6477 8.8754 8.8754 10.9474 10.9474 13.9899 13.9899 k = 0.5000 0.3456-0.3248 ( 1378 PWs) bands (ev): -13.7921 -13.7921 -2.8845 -2.8845 -2.0802 -2.0802 -1.5038 -1.5038 -0.7408 -0.7408 8.8522 8.8522 10.9736 10.9736 14.0653 14.0653 k = 0.5000 0.3359-0.3323 ( 1376 PWs) bands (ev): -13.7934 -13.7934 -2.8925 -2.8925 -2.0061 -2.0061 -1.4910 -1.4910 -0.8304 -0.8304 8.8324 8.8324 10.9961 10.9961 14.1113 14.1113 k = 0.5000 0.3261-0.3399 ( 1376 PWs) bands (ev): -13.7945 -13.7945 -2.8991 -2.8991 -1.9351 -1.9351 -1.4802 -1.4802 -0.9145 -0.9145 8.8161 8.8161 11.0147 11.0147 14.1384 14.1384 k = 0.5000 0.3164-0.3474 ( 1372 PWs) bands (ev): -13.7954 -13.7954 -2.9043 -2.9043 -1.8700 -1.8700 -1.4714 -1.4714 -0.9902 -0.9902 8.8034 8.8034 11.0294 11.0294 14.1543 14.1543 k = 0.5000 0.3067-0.3550 ( 1376 PWs) bands (ev): -13.7960 -13.7960 -2.9080 -2.9080 -1.8154 -1.8154 -1.4647 -1.4647 -1.0528 -1.0528 8.7943 8.7943 11.0399 11.0399 14.1635 14.1635 k = 0.5000 0.2970-0.3625 ( 1372 PWs) bands (ev): -13.7964 -13.7964 -2.9102 -2.9102 -1.7779 -1.7779 -1.4603 -1.4603 -1.0955 -1.0955 8.7888 8.7888 11.0462 11.0462 14.1682 14.1682 k = 0.5000 0.2872-0.3701 ( 1376 PWs) bands (ev): -13.7965 -13.7965 -2.9109 -2.9109 -1.7643 -1.7643 -1.4587 -1.4587 -1.1110 -1.1110 8.7870 8.7870 11.0484 11.0484 14.1697 14.1697 k = 0.0000 0.6144 0.4769 ( 1322 PWs) bands (ev): -13.6128 -13.6128 -2.9710 -2.9710 -2.0217 -2.0217 -1.7039 -1.7039 -1.2636 -1.2636 8.3070 8.3070 12.5263 12.5263 13.7592 13.7592 k = 0.0089 0.6195 0.4704 ( 1322 PWs) bands (ev): -13.6128 -13.6128 -2.9704 -2.9704 -2.0226 -2.0226 -1.7119 -1.7119 -1.2544 -1.2544 8.3094 8.3094 12.5219 12.5219 13.6933 13.6933 k = 0.0177 0.6246 0.4638 ( 1330 PWs) bands (ev): -13.6129 -13.6129 -2.9686 -2.9686 -2.0254 -2.0254 -1.7340 -1.7340 -1.2288 -1.2288 8.3164 8.3164 12.5087 12.5087 13.5573 13.5573 k = 0.0266 0.6297 0.4572 ( 1330 PWs) bands (ev): -13.6132 -13.6132 -2.9655 -2.9655 -2.0299 -2.0299 -1.7664 -1.7664 -1.1906 -1.1906 8.3282 8.3282 12.4869 12.4869 13.4006 13.4006 k = 0.0354 0.6348 0.4507 ( 1336 PWs) bands (ev): -13.6134 -13.6134 -2.9613 -2.9613 -2.0363 -2.0363 -1.8050 -1.8050 -1.1439 -1.1439 8.3447 8.3447 12.4567 12.4567 13.2369 13.2369 k = 0.0443 0.6399 0.4441 ( 1336 PWs) bands (ev): -13.6138 -13.6138 -2.9559 -2.9559 -2.0446 -2.0446 -1.8469 -1.8469 -1.0916 -1.0916 8.3657 8.3657 12.4185 12.4185 13.0708 13.0708 k = 0.0532 0.6450 0.4376 ( 1340 PWs) bands (ev): -13.6143 -13.6143 -2.9492 -2.9492 -2.0548 -2.0548 -1.8903 -1.8903 -1.0355 -1.0355 8.3914 8.3914 12.3726 12.3726 12.9048 12.9048 k = 0.0620 0.6501 0.4310 ( 1344 PWs) bands (ev): -13.6148 -13.6148 -2.9414 -2.9414 -2.0670 -2.0670 -1.9336 -1.9336 -0.9771 -0.9771 8.4215 8.4215 12.3194 12.3194 12.7402 12.7402 k = 0.0709 0.6552 0.4245 ( 1344 PWs) bands (ev): -13.6154 -13.6154 -2.9325 -2.9325 -2.0814 -2.0814 -1.9759 -1.9759 -0.9171 -0.9171 8.4560 8.4560 12.2594 12.2594 12.5781 12.5781 k = 0.0797 0.6602 0.4179 ( 1344 PWs) bands (ev): -13.6161 -13.6161 -2.9224 -2.9224 -2.0986 -2.0986 -2.0160 -2.0160 -0.8565 -0.8565 8.4949 8.4949 12.1931 12.1931 12.4193 12.4193 k = 0.0886 0.6653 0.4113 ( 1346 PWs) bands (ev): -13.6169 -13.6169 -2.9112 -2.9112 -2.1192 -2.1192 -2.0528 -2.0528 -0.7955 -0.7955 8.5379 8.5379 12.1209 12.1209 12.2647 12.2647 k = 0.0974 0.6704 0.4048 ( 1346 PWs) bands (ev): -13.6177 -13.6177 -2.8989 -2.8989 -2.1442 -2.1442 -2.0849 -2.0849 -0.7348 -0.7348 8.5851 8.5851 12.0430 12.0430 12.1150 12.1150 k = 0.1063 0.6755 0.3982 ( 1344 PWs) bands (ev): -13.6186 -13.6186 -2.8855 -2.8855 -2.1732 -2.1732 -2.1125 -2.1125 -0.6747 -0.6747 8.6362 8.6362 11.9547 11.9547 11.9760 11.9760 k = 0.1152 0.6806 0.3917 ( 1344 PWs) bands (ev): -13.6196 -13.6196 -2.8711 -2.8711 -2.2043 -2.2043 -2.1371 -2.1371 -0.6157 -0.6157 8.6912 8.6912 11.8262 11.8262 11.8785 11.8785 k = 0.1240 0.6857 0.3851 ( 1340 PWs) bands (ev): -13.6207 -13.6207 -2.8557 -2.8557 -2.2356 -2.2356 -2.1603 -2.1603 -0.5579 -0.5579 8.7499 8.7499 11.6933 11.6933 11.7875 11.7875 k = 0.1329 0.6908 0.3786 ( 1340 PWs) bands (ev): -13.6219 -13.6219 -2.8394 -2.8394 -2.2660 -2.2660 -2.1833 -2.1833 -0.5018 -0.5018 8.8121 8.8121 11.5662 11.5662 11.6938 11.6938 k = 0.1417 0.6959 0.3720 ( 1340 PWs) bands (ev): -13.6231 -13.6231 -2.8221 -2.8221 -2.2948 -2.2948 -2.2064 -2.2064 -0.4478 -0.4478 8.8778 8.8778 11.4458 11.4458 11.5974 11.5974 k = 0.1506 0.7010 0.3654 ( 1336 PWs) bands (ev): -13.6244 -13.6244 -2.8040 -2.8040 -2.3216 -2.3216 -2.2297 -2.2297 -0.3960 -0.3960 8.9466 8.9466 11.3324 11.3324 11.4986 11.4986 k = 0.1595 0.7061 0.3589 ( 1332 PWs) bands (ev): -13.6258 -13.6258 -2.7850 -2.7850 -2.3462 -2.3462 -2.2535 -2.2535 -0.3469 -0.3469 9.0185 9.0185 11.2266 11.2266 11.3977 11.3977 k = 0.1683 0.7111 0.3523 ( 1336 PWs) bands (ev): -13.6273 -13.6273 -2.7653 -2.7653 -2.3685 -2.3685 -2.2775 -2.2775 -0.3008 -0.3008 9.0933 9.0933 11.1287 11.1287 11.2951 11.2951 k = 0.1772 0.7162 0.3458 ( 1340 PWs) bands (ev): -13.6288 -13.6288 -2.7449 -2.7449 -2.3885 -2.3885 -2.3018 -2.3018 -0.2579 -0.2579 9.1709 9.1709 11.0390 11.0390 11.1911 11.1911 k = 0.1860 0.7213 0.3392 ( 1344 PWs) bands (ev): -13.6304 -13.6304 -2.7239 -2.7239 -2.4060 -2.4060 -2.3261 -2.3261 -0.2185 -0.2185 9.2509 9.2509 10.9579 10.9579 11.0860 11.0860 k = 0.1949 0.7264 0.3327 ( 1344 PWs) bands (ev): -13.6320 -13.6320 -2.7025 -2.7025 -2.4212 -2.4212 -2.3502 -2.3502 -0.1829 -0.1829 9.3332 9.3332 10.8856 10.8856 10.9803 10.9803 k = 0.2038 0.7315 0.3261 ( 1346 PWs) bands (ev): -13.6337 -13.6337 -2.6807 -2.6807 -2.4343 -2.4343 -2.3736 -2.3736 -0.1513 -0.1513 9.4177 9.4177 10.8225 10.8225 10.8742 10.8742 k = 0.2126 0.7366 0.3195 ( 1350 PWs) bands (ev): -13.6355 -13.6355 -2.6587 -2.6587 -2.4460 -2.4460 -2.3955 -2.3955 -0.1239 -0.1239 9.5041 9.5041 10.7650 10.7650 10.7717 10.7717 k = 0.7874-0.1621 0.2089 ( 1350 PWs) bands (ev): -13.6355 -13.6355 -2.6587 -2.6587 -2.4460 -2.4460 -2.3955 -2.3955 -0.1239 -0.1239 9.5041 9.5041 10.7650 10.7650 10.7717 10.7717 k = 0.7784-0.1673 0.2155 ( 1350 PWs) bands (ev): -13.6373 -13.6373 -2.6367 -2.6367 -2.4577 -2.4577 -2.4144 -2.4144 -0.1006 -0.1006 9.5934 9.5934 10.6600 10.6600 10.7245 10.7245 k = 0.7694-0.1724 0.2221 ( 1354 PWs) bands (ev): -13.6392 -13.6392 -2.6155 -2.6155 -2.4713 -2.4713 -2.4271 -2.4271 -0.0821 -0.0821 9.6843 9.6843 10.5529 10.5529 10.6898 10.6898 k = 0.7604-0.1776 0.2288 ( 1358 PWs) bands (ev): -13.6411 -13.6411 -2.5968 -2.5968 -2.4862 -2.4862 -2.4328 -2.4328 -0.0684 -0.0684 9.7765 9.7765 10.4466 10.4466 10.6653 10.6653 k = 0.7515-0.1827 0.2354 ( 1358 PWs) bands (ev): -13.6430 -13.6430 -2.5842 -2.5842 -2.4975 -2.4975 -2.4325 -2.4325 -0.0597 -0.0597 9.8698 9.8698 10.3412 10.3412 10.6512 10.6512 k = 0.7425-0.1879 0.2421 ( 1358 PWs) bands (ev): -13.6450 -13.6450 -2.5837 -2.5837 -2.4979 -2.4979 -2.4278 -2.4278 -0.0560 -0.0560 9.9638 9.9638 10.2371 10.2371 10.6476 10.6476 k = 0.7335-0.1931 0.2487 ( 1352 PWs) bands (ev): -13.6470 -13.6470 -2.5958 -2.5958 -2.4863 -2.4863 -2.4190 -2.4190 -0.0574 -0.0574 10.0576 10.0576 10.1353 10.1353 10.6543 10.6543 k = 0.7245-0.1982 0.2554 ( 1352 PWs) bands (ev): -13.6490 -13.6490 -2.6145 -2.6145 -2.4684 -2.4684 -2.4067 -2.4067 -0.0638 -0.0638 10.0321 10.0321 10.1549 10.1549 10.6714 10.6714 k = 0.7155-0.2034 0.2620 ( 1352 PWs) bands (ev): -13.6510 -13.6510 -2.6357 -2.6357 -2.4481 -2.4481 -2.3909 -2.3909 -0.0753 -0.0753 9.9335 9.9335 10.2497 10.2497 10.6989 10.6989 k = 0.7066-0.2085 0.2687 ( 1352 PWs) bands (ev): -13.6530 -13.6530 -2.6579 -2.6579 -2.4265 -2.4265 -2.3722 -2.3722 -0.0917 -0.0917 9.8366 9.8366 10.3447 10.3447 10.7367 10.7367 k = 0.6976-0.2137 0.2753 ( 1350 PWs) bands (ev): -13.6550 -13.6550 -2.6802 -2.6802 -2.4041 -2.4041 -2.3509 -2.3509 -0.1129 -0.1129 9.7420 9.7420 10.4393 10.4393 10.7846 10.7846 k = 0.6886-0.2189 0.2820 ( 1358 PWs) bands (ev): -13.6570 -13.6570 -2.7023 -2.7023 -2.3809 -2.3809 -2.3276 -2.3276 -0.1387 -0.1387 9.6500 9.6500 10.5333 10.5333 10.8423 10.8423 k = 0.6796-0.2240 0.2886 ( 1362 PWs) bands (ev): -13.6590 -13.6590 -2.7240 -2.7240 -2.3567 -2.3567 -2.3025 -2.3025 -0.1690 -0.1690 9.5608 9.5608 10.6263 10.6263 10.9099 10.9099 k = 0.6706-0.2292 0.2953 ( 1364 PWs) bands (ev): -13.6609 -13.6609 -2.7452 -2.7452 -2.3318 -2.3318 -2.2756 -2.2756 -0.2035 -0.2035 9.4745 9.4745 10.7180 10.7180 10.9869 10.9869 k = 0.6617-0.2343 0.3019 ( 1364 PWs) bands (ev): -13.6628 -13.6628 -2.7656 -2.7656 -2.3065 -2.3065 -2.2470 -2.2470 -0.2420 -0.2420 9.3913 9.3913 10.8081 10.8081 11.0731 11.0731 k = 0.6527-0.2395 0.3086 ( 1364 PWs) bands (ev): -13.6646 -13.6646 -2.7854 -2.7854 -2.2812 -2.2812 -2.2162 -2.2162 -0.2843 -0.2843 9.3115 9.3115 10.8963 10.8963 11.1682 11.1682 k = 0.6437-0.2447 0.3152 ( 1360 PWs) bands (ev): -13.6664 -13.6664 -2.8042 -2.8042 -2.2564 -2.2564 -2.1831 -2.1831 -0.3300 -0.3300 9.2352 9.2352 10.9823 10.9823 11.2718 11.2718 k = 0.6347-0.2498 0.3219 ( 1360 PWs) bands (ev): -13.6682 -13.6682 -2.8222 -2.8222 -2.2326 -2.2326 -2.1473 -2.1473 -0.3789 -0.3789 9.1626 9.1626 11.0658 11.0658 11.3838 11.3838 k = 0.6257-0.2550 0.3285 ( 1360 PWs) bands (ev): -13.6698 -13.6698 -2.8392 -2.8392 -2.2099 -2.2099 -2.1089 -2.1089 -0.4307 -0.4307 9.0939 9.0939 11.1463 11.1463 11.5036 11.5036 k = 0.6168-0.2601 0.3351 ( 1364 PWs) bands (ev): -13.6714 -13.6714 -2.8553 -2.8553 -2.1885 -2.1885 -2.0678 -2.0678 -0.4851 -0.4851 9.0291 9.0291 11.2236 11.2236 11.6308 11.6308 k = 0.6078-0.2653 0.3418 ( 1360 PWs) bands (ev): -13.6729 -13.6729 -2.8703 -2.8703 -2.1684 -2.1684 -2.0242 -2.0242 -0.5418 -0.5418 8.9685 8.9685 11.2973 11.2973 11.7653 11.7653 k = 0.5988-0.2704 0.3484 ( 1356 PWs) bands (ev): -13.6743 -13.6743 -2.8842 -2.8842 -2.1498 -2.1498 -1.9783 -1.9783 -0.6004 -0.6004 8.9122 8.9122 11.3669 11.3669 11.9064 11.9064 k = 0.5898-0.2756 0.3551 ( 1364 PWs) bands (ev): -13.6756 -13.6756 -2.8970 -2.8970 -2.1326 -2.1326 -1.9303 -1.9303 -0.6607 -0.6607 8.8604 8.8604 11.4322 11.4322 12.0537 12.0537 k = 0.5808-0.2808 0.3617 ( 1368 PWs) bands (ev): -13.6768 -13.6768 -2.9087 -2.9087 -2.1168 -2.1168 -1.8802 -1.8802 -0.7223 -0.7223 8.8131 8.8131 11.4927 11.4927 12.2069 12.2069 k = 0.5718-0.2859 0.3684 ( 1372 PWs) bands (ev): -13.6779 -13.6779 -2.9193 -2.9193 -2.1025 -2.1025 -1.8285 -1.8285 -0.7848 -0.7848 8.7704 8.7704 11.5481 11.5481 12.3654 12.3654 k = 0.5629-0.2911 0.3750 ( 1374 PWs) bands (ev): -13.6789 -13.6789 -2.9286 -2.9286 -2.0898 -2.0898 -1.7752 -1.7752 -0.8480 -0.8480 8.7325 8.7325 11.5980 11.5980 12.5288 12.5288 k = 0.5539-0.2962 0.3817 ( 1378 PWs) bands (ev): -13.6797 -13.6797 -2.9368 -2.9368 -2.0787 -2.0787 -1.7207 -1.7207 -0.9112 -0.9112 8.6995 8.6995 11.6420 11.6420 12.6964 12.6964 k = 0.5449-0.3014 0.3883 ( 1382 PWs) bands (ev): -13.6805 -13.6805 -2.9437 -2.9437 -2.0692 -2.0692 -1.6656 -1.6656 -0.9740 -0.9740 8.6714 8.6714 11.6799 11.6799 12.8678 12.8678 k = 0.5359-0.3066 0.3950 ( 1382 PWs) bands (ev): -13.6811 -13.6811 -2.9493 -2.9493 -2.0614 -2.0614 -1.6105 -1.6105 -1.0354 -1.0354 8.6483 8.6483 11.7113 11.7113 13.0421 13.0421 k = 0.5269-0.3117 0.4016 ( 1378 PWs) bands (ev): -13.6816 -13.6816 -2.9538 -2.9538 -2.0552 -2.0552 -1.5569 -1.5569 -1.0941 -1.0941 8.6303 8.6303 11.7361 11.7361 13.2186 13.2186 k = 0.5180-0.3169 0.4083 ( 1378 PWs) bands (ev): -13.6819 -13.6819 -2.9569 -2.9569 -2.0509 -2.0509 -1.5075 -1.5075 -1.1470 -1.1470 8.6174 8.6174 11.7539 11.7539 13.3963 13.3963 k = 0.5090-0.3220 0.4149 ( 1378 PWs) bands (ev): -13.6821 -13.6821 -2.9588 -2.9588 -2.0482 -2.0482 -1.4690 -1.4690 -1.1878 -1.1878 8.6097 8.6097 11.7646 11.7646 13.5739 13.5739 k = 0.5000-0.3272 0.4216 ( 1378 PWs) bands (ev): -13.6822 -13.6822 -2.9595 -2.9595 -2.0473 -2.0473 -1.4533 -1.4533 -1.2042 -1.2042 8.6071 8.6071 11.7682 11.7682 13.7302 13.7302 k = 0.5000 0.2872 0.2642 ( 1360 PWs) bands (ev): -13.8109 -13.8109 -4.3147 -4.3147 -1.3387 -1.3387 -1.1589 -1.1589 1.6145 1.6145 7.1591 7.1591 9.8688 9.8688 10.7531 10.7531 k = 0.4902 0.2816 0.2590 ( 1362 PWs) bands (ev): -13.8114 -13.8114 -4.3130 -4.3130 -1.3384 -1.3384 -1.1588 -1.1588 1.6132 1.6132 7.1616 7.1616 9.8703 9.8703 10.7548 10.7548 k = 0.4804 0.2760 0.2538 ( 1364 PWs) bands (ev): -13.8128 -13.8128 -4.3077 -4.3077 -1.3375 -1.3375 -1.1585 -1.1585 1.6093 1.6093 7.1691 7.1691 9.8748 9.8748 10.7602 10.7602 k = 0.4706 0.2703 0.2487 ( 1367 PWs) bands (ev): -13.8152 -13.8152 -4.2991 -4.2991 -1.3361 -1.3361 -1.1581 -1.1581 1.6029 1.6029 7.1816 7.1816 9.8822 9.8822 10.7691 10.7691 k = 0.4608 0.2647 0.2435 ( 1370 PWs) bands (ev): -13.8185 -13.8185 -4.2869 -4.2869 -1.3341 -1.3341 -1.1574 -1.1574 1.5939 1.5939 7.1990 7.1990 9.8925 9.8925 10.7815 10.7815 k = 0.4510 0.2591 0.2383 ( 1369 PWs) bands (ev): -13.8228 -13.8228 -4.2714 -4.2714 -1.3315 -1.3315 -1.1566 -1.1566 1.5823 1.5823 7.2214 7.2214 9.9058 9.9058 10.7975 10.7975 k = 0.4412 0.2535 0.2331 ( 1367 PWs) bands (ev): -13.8279 -13.8279 -4.2524 -4.2524 -1.3283 -1.3283 -1.1555 -1.1555 1.5683 1.5683 7.2486 7.2486 9.9220 9.9220 10.8170 10.8170 k = 0.4314 0.2478 0.2279 ( 1367 PWs) bands (ev): -13.8339 -13.8339 -4.2301 -4.2301 -1.3246 -1.3246 -1.1543 -1.1543 1.5518 1.5518 7.2807 7.2807 9.9411 9.9411 10.8399 10.8399 k = 0.4216 0.2422 0.2228 ( 1366 PWs) bands (ev): -13.8408 -13.8408 -4.2044 -4.2044 -1.3204 -1.3204 -1.1529 -1.1529 1.5328 1.5328 7.3175 7.3175 9.9631 9.9631 10.8662 10.8662 k = 0.4118 0.2366 0.2176 ( 1368 PWs) bands (ev): -13.8485 -13.8485 -4.1755 -4.1755 -1.3157 -1.3157 -1.1513 -1.1513 1.5114 1.5114 7.3590 7.3590 9.9879 9.9879 10.8959 10.8959 k = 0.4020 0.2309 0.2124 ( 1366 PWs) bands (ev): -13.8569 -13.8569 -4.1433 -4.1433 -1.3105 -1.3105 -1.1495 -1.1495 1.4877 1.4877 7.4051 7.4051 10.0156 10.0156 10.9289 10.9289 k = 0.3922 0.2253 0.2072 ( 1365 PWs) bands (ev): -13.8661 -13.8661 -4.1080 -4.1080 -1.3048 -1.3048 -1.1475 -1.1475 1.4616 1.4616 7.4557 7.4557 10.0460 10.0460 10.9651 10.9651 k = 0.3824 0.2197 0.2020 ( 1363 PWs) bands (ev): -13.8760 -13.8760 -4.0696 -4.0696 -1.2987 -1.2987 -1.1453 -1.1453 1.4332 1.4332 7.5108 7.5108 10.0791 10.0791 11.0045 11.0045 k = 0.3725 0.2140 0.1969 ( 1363 PWs) bands (ev): -13.8865 -13.8865 -4.0282 -4.0282 -1.2922 -1.2922 -1.1430 -1.1430 1.4025 1.4025 7.5701 7.5701 10.1149 10.1149 11.0468 11.0468 k = 0.3627 0.2084 0.1917 ( 1360 PWs) bands (ev): -13.8977 -13.8977 -3.9838 -3.9838 -1.2853 -1.2853 -1.1404 -1.1404 1.3697 1.3697 7.6337 7.6337 10.1533 10.1533 11.0921 11.0921 k = 0.3529 0.2028 0.1865 ( 1359 PWs) bands (ev): -13.9093 -13.9093 -3.9365 -3.9365 -1.2780 -1.2780 -1.1377 -1.1377 1.3347 1.3347 7.7014 7.7014 10.1942 10.1942 11.1400 11.1400 k = 0.3431 0.1971 0.1813 ( 1362 PWs) bands (ev): -13.9215 -13.9215 -3.8864 -3.8864 -1.2705 -1.2705 -1.1347 -1.1347 1.2976 1.2976 7.7730 7.7730 10.2376 10.2376 11.1905 11.1905 k = 0.3333 0.1915 0.1761 ( 1361 PWs) bands (ev): -13.9341 -13.9341 -3.8336 -3.8336 -1.2627 -1.2627 -1.1316 -1.1316 1.2584 1.2584 7.8486 7.8486 10.2833 10.2833 11.2432 11.2432 k = 0.3235 0.1859 0.1709 ( 1361 PWs) bands (ev): -13.9471 -13.9471 -3.7782 -3.7782 -1.2546 -1.2546 -1.1282 -1.1282 1.2171 1.2171 7.9278 7.9278 10.3312 10.3312 11.2979 11.2979 k = 0.3137 0.1802 0.1658 ( 1362 PWs) bands (ev): -13.9604 -13.9604 -3.7202 -3.7202 -1.2464 -1.2464 -1.1246 -1.1246 1.1738 1.1738 8.0107 8.0107 10.3812 10.3812 11.3540 11.3540 k = 0.3039 0.1746 0.1606 ( 1363 PWs) bands (ev): -13.9741 -13.9741 -3.6597 -3.6597 -1.2381 -1.2381 -1.1208 -1.1208 1.1286 1.1286 8.0970 8.0970 10.4331 10.4331 11.4110 11.4110 k = 0.2941 0.1690 0.1554 ( 1363 PWs) bands (ev): -13.9879 -13.9879 -3.5969 -3.5969 -1.2297 -1.2297 -1.1167 -1.1167 1.0813 1.0813 8.1867 8.1867 10.4867 10.4867 11.4680 11.4680 k = 0.2843 0.1633 0.1502 ( 1366 PWs) bands (ev): -14.0019 -14.0019 -3.5319 -3.5319 -1.2213 -1.2213 -1.1124 -1.1124 1.0322 1.0322 8.2795 8.2795 10.5418 10.5418 11.5238 11.5238 k = 0.2745 0.1577 0.1450 ( 1365 PWs) bands (ev): -14.0160 -14.0160 -3.4646 -3.4646 -1.2129 -1.2129 -1.1078 -1.1078 0.9812 0.9812 8.3752 8.3752 10.5982 10.5982 11.5763 11.5763 k = 0.2647 0.1521 0.1399 ( 1365 PWs) bands (ev): -14.0301 -14.0301 -3.3953 -3.3953 -1.2047 -1.2047 -1.1028 -1.1028 0.9283 0.9283 8.4738 8.4738 10.6553 10.6553 11.6223 11.6223 k = 0.2549 0.1464 0.1347 ( 1366 PWs) bands (ev): -14.0443 -14.0443 -3.3240 -3.3240 -1.1966 -1.1966 -1.0976 -1.0976 0.8736 0.8736 8.5749 8.5749 10.7129 10.7129 11.6568 11.6568 k = 0.2451 0.1408 0.1295 ( 1366 PWs) bands (ev): -14.0584 -14.0584 -3.2508 -3.2508 -1.1888 -1.1888 -1.0921 -1.0921 0.8171 0.8171 8.6784 8.6784 10.7704 10.7704 11.6736 11.6736 k = 0.2353 0.1352 0.1243 ( 1366 PWs) bands (ev): -14.0724 -14.0724 -3.1758 -3.1758 -1.1813 -1.1813 -1.0862 -1.0862 0.7589 0.7589 8.7839 8.7839 10.8271 10.8271 11.6702 11.6702 k = 0.2255 0.1295 0.1191 ( 1365 PWs) bands (ev): -14.0862 -14.0862 -3.0992 -3.0992 -1.1742 -1.1742 -1.0800 -1.0800 0.6989 0.6989 8.8913 8.8913 10.8823 10.8823 11.6512 11.6512 k = 0.2157 0.1239 0.1140 ( 1363 PWs) bands (ev): -14.0998 -14.0998 -3.0209 -3.0209 -1.1674 -1.1674 -1.0735 -1.0735 0.6372 0.6372 9.0001 9.0001 10.9350 10.9350 11.6245 11.6245 k = 0.2059 0.1183 0.1088 ( 1364 PWs) bands (ev): -14.1132 -14.1132 -2.9412 -2.9412 -1.1610 -1.1610 -1.0667 -1.0667 0.5738 0.5738 9.1099 9.1099 10.9839 10.9839 11.5963 11.5963 k = 0.1961 0.1126 0.1036 ( 1362 PWs) bands (ev): -14.1262 -14.1262 -2.8601 -2.8601 -1.1550 -1.1550 -1.0597 -1.0597 0.5087 0.5087 9.2204 9.2204 11.0277 11.0277 11.5707 11.5707 k = 0.1863 0.1070 0.0984 ( 1360 PWs) bands (ev): -14.1390 -14.1390 -2.7778 -2.7778 -1.1494 -1.1494 -1.0525 -1.0525 0.4421 0.4421 9.3311 9.3311 11.0649 11.0649 11.5504 11.5504 k = 0.1765 0.1014 0.0932 ( 1359 PWs) bands (ev): -14.1513 -14.1513 -2.6942 -2.6942 -1.1443 -1.1443 -1.0452 -1.0452 0.3738 0.3738 9.4412 9.4412 11.0942 11.0942 11.5367 11.5367 k = 0.1667 0.0957 0.0881 ( 1362 PWs) bands (ev): -14.1632 -14.1632 -2.6096 -2.6096 -1.1395 -1.1395 -1.0378 -1.0378 0.3040 0.3040 9.5502 9.5502 11.1152 11.1152 11.5302 11.5302 k = 0.1569 0.0901 0.0829 ( 1361 PWs) bands (ev): -14.1746 -14.1746 -2.5240 -2.5240 -1.1350 -1.1350 -1.0305 -1.0305 0.2327 0.2327 9.6571 9.6571 11.1286 11.1286 11.5301 11.5301 k = 0.1471 0.0845 0.0777 ( 1359 PWs) bands (ev): -14.1855 -14.1855 -2.4375 -2.4375 -1.1310 -1.1310 -1.0233 -1.0233 0.1600 0.1600 9.7611 9.7611 11.1358 11.1358 11.5348 11.5348 k = 0.1373 0.0789 0.0725 ( 1359 PWs) bands (ev): -14.1959 -14.1959 -2.3503 -2.3503 -1.1272 -1.1272 -1.0162 -1.0162 0.0858 0.0858 9.8611 9.8611 11.1391 11.1391 11.5422 11.5422 k = 0.1275 0.0732 0.0673 ( 1358 PWs) bands (ev): -14.2057 -14.2057 -2.2623 -2.2623 -1.1238 -1.1238 -1.0093 -1.0093 0.0104 0.0104 9.9560 9.9560 11.1405 11.1405 11.5510 11.5510 k = 0.1176 0.0676 0.0622 ( 1360 PWs) bands (ev): -14.2149 -14.2149 -2.1739 -2.1739 -1.1206 -1.1206 -1.0027 -1.0027 -0.0664 -0.0664 10.0444 10.0444 11.1417 11.1417 11.5604 11.5604 k = 0.1078 0.0620 0.0570 ( 1361 PWs) bands (ev): -14.2235 -14.2235 -2.0850 -2.0850 -1.1177 -1.1177 -0.9964 -0.9964 -0.1444 -0.1444 10.1253 10.1253 11.1436 11.1436 11.5702 11.5702 k = 0.0980 0.0563 0.0518 ( 1360 PWs) bands (ev): -14.2314 -14.2314 -1.9957 -1.9957 -1.1151 -1.1151 -0.9906 -0.9906 -0.2235 -0.2235 10.1976 10.1976 11.1466 11.1466 11.5809 11.5809 k = 0.0882 0.0507 0.0466 ( 1360 PWs) bands (ev): -14.2387 -14.2387 -1.9063 -1.9063 -1.1127 -1.1127 -0.9852 -0.9852 -0.3037 -0.3037 10.2606 10.2606 11.1506 11.1506 11.5930 11.5930 k = 0.0784 0.0451 0.0414 ( 1358 PWs) bands (ev): -14.2452 -14.2452 -1.8168 -1.8168 -1.1106 -1.1106 -0.9803 -0.9803 -0.3848 -0.3848 10.3140 10.3140 11.1551 11.1551 11.6067 11.6067 k = 0.0686 0.0394 0.0363 ( 1358 PWs) bands (ev): -14.2510 -14.2510 -1.7275 -1.7275 -1.1086 -1.1086 -0.9760 -0.9760 -0.4667 -0.4667 10.3582 10.3582 11.1595 11.1595 11.6216 11.6216 k = 0.0588 0.0338 0.0311 ( 1358 PWs) bands (ev): -14.2561 -14.2561 -1.6385 -1.6385 -1.1069 -1.1069 -0.9723 -0.9723 -0.5491 -0.5491 10.3936 10.3936 11.1632 11.1632 11.6369 11.6369 k = 0.0490 0.0282 0.0259 ( 1360 PWs) bands (ev): -14.2604 -14.2604 -1.5502 -1.5502 -1.1053 -1.1053 -0.9693 -0.9693 -0.6317 -0.6317 10.4213 10.4213 11.1659 11.1659 11.6515 11.6515 k = 0.0392 0.0225 0.0207 ( 1359 PWs) bands (ev): -14.2639 -14.2639 -1.4631 -1.4631 -1.1037 -1.1037 -0.9674 -0.9674 -0.7139 -0.7139 10.4422 10.4422 11.1677 11.1677 11.6642 11.6642 k = 0.0294 0.0169 0.0155 ( 1360 PWs) bands (ev): -14.2667 -14.2667 -1.3784 -1.3784 -1.1018 -1.1018 -0.9671 -0.9671 -0.7941 -0.7941 10.4574 10.4574 11.1687 11.1687 11.6743 11.6743 k = 0.0196 0.0113 0.0104 ( 1360 PWs) bands (ev): -14.2687 -14.2687 -1.2990 -1.2990 -1.0988 -1.0988 -0.9710 -0.9710 -0.8679 -0.8679 10.4677 10.4677 11.1691 11.1691 11.6815 11.6815 k = 0.0098 0.0056 0.0052 ( 1362 PWs) bands (ev): -14.2699 -14.2699 -1.2332 -1.2332 -1.0922 -1.0922 -0.9893 -0.9893 -0.9191 -0.9191 10.4736 10.4736 11.1693 11.1693 11.6858 11.6858 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -14.2703 -14.2703 -1.2046 -1.2046 -1.0838 -1.0838 -1.0119 -1.0119 -0.9325 -0.9325 10.4755 10.4755 11.1693 11.1693 11.6872 11.6872 Writing output data file HCl.save init_run : 2.66s CPU 12.96s WALL ( 1 calls) electrons : 139.05s CPU 144.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.37s WALL ( 1 calls) Called by electrons: c_bands : 139.03s CPU 144.28s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.48s WALL ( 1 calls) newd : 0.22s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 547 calls) cegterg : 88.92s CPU 89.88s WALL ( 939 calls) Called by sum_band: Called by *egterg: h_psi : 46.01s CPU 52.38s WALL ( 16197 calls) s_psi : 1.98s CPU 3.02s WALL ( 16197 calls) g_psi : 0.08s CPU 0.14s WALL ( 14711 calls) cdiaghg : 23.10s CPU 22.24s WALL ( 15258 calls) cegterg:over : 6.97s CPU 5.53s WALL ( 14711 calls) cegterg:upda : 0.42s CPU 0.79s WALL ( 14711 calls) cegterg:last : 0.16s CPU 0.53s WALL ( 2690 calls) Called by h_psi: h_psi:vloc : 39.47s CPU 46.13s WALL ( 16197 calls) h_psi:vnl : 6.50s CPU 5.98s WALL ( 16197 calls) add_vuspsi : 0.93s CPU 1.92s WALL ( 16197 calls) General routines calbec : 5.54s CPU 3.97s WALL ( 16197 calls) fft : 0.39s CPU 1.30s WALL ( 19 calls) ffts : 0.00s CPU 0.11s WALL ( 4 calls) fftw : 37.85s CPU 44.00s WALL ( 538936 calls) interpolate : 0.05s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 2.61s WALL ( 1094 calls) Parallel routines fft_scatter : 30.91s CPU 35.40s WALL ( 538959 calls) PWSCF : 2m48.21s CPU 4m26.40s WALL This run was terminated on: 3:48:30 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=