Program PWSCF v.5.1.1 starts on 8Oct2015 at 21:59: 4 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: ./NaNO2.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 35 29 8 766 572 90 Max 36 30 9 768 584 93 Sum 1693 1393 407 36793 27661 4361 bravais-lattice index = 14 lattice parameter (alat) = 8.1298 a.u. unit-cell volume = 373.4447 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.129845 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.639700 celldm(5)= -0.223294 celldm(6)= -0.137007 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.137007 0.990570 0.000000 ) a(3) = ( -0.223294 -0.676673 0.701608 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.138311 0.451656 ) b(2) = ( 0.000000 1.009520 0.973643 ) b(3) = ( 0.000000 0.000000 1.425298 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 451 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 2) = ( -0.0058094 0.0050612 0.0113126), wk = 0.0022173 k( 3) = ( -0.0116189 0.0101225 0.0226252), wk = 0.0022173 k( 4) = ( -0.0174283 0.0151837 0.0339378), wk = 0.0022173 k( 5) = ( -0.0232377 0.0202449 0.0452505), wk = 0.0022173 k( 6) = ( -0.0290472 0.0253061 0.0565631), wk = 0.0022173 k( 7) = ( -0.0348566 0.0303674 0.0678757), wk = 0.0022173 k( 8) = ( -0.0406660 0.0354286 0.0791883), wk = 0.0022173 k( 9) = ( -0.0464754 0.0404898 0.0905009), wk = 0.0022173 k( 10) = ( -0.0522849 0.0455510 0.1018135), wk = 0.0022173 k( 11) = ( -0.0580943 0.0506123 0.1131261), wk = 0.0022173 k( 12) = ( -0.0639037 0.0556735 0.1244388), wk = 0.0022173 k( 13) = ( -0.0697132 0.0607347 0.1357514), wk = 0.0022173 k( 14) = ( -0.0755226 0.0657959 0.1470640), wk = 0.0022173 k( 15) = ( -0.0813320 0.0708572 0.1583766), wk = 0.0022173 k( 16) = ( -0.0871414 0.0759184 0.1696892), wk = 0.0022173 k( 17) = ( -0.0929509 0.0809796 0.1810018), wk = 0.0022173 k( 18) = ( -0.0987603 0.0860408 0.1923145), wk = 0.0022173 k( 19) = ( -0.1045697 0.0911021 0.2036271), wk = 0.0022173 k( 20) = ( -0.1103791 0.0961633 0.2149397), wk = 0.0022173 k( 21) = ( -0.1161886 0.1012245 0.2262523), wk = 0.0022173 k( 22) = ( -0.1219980 0.1062857 0.2375649), wk = 0.0022173 k( 23) = ( -0.1278074 0.1113470 0.2488775), wk = 0.0022173 k( 24) = ( -0.1336169 0.1164082 0.2601901), wk = 0.0022173 k( 25) = ( -0.1394263 0.1214694 0.2715028), wk = 0.0022173 k( 26) = ( -0.1452357 0.1265306 0.2828154), wk = 0.0022173 k( 27) = ( -0.1510452 0.1315919 0.2941280), wk = 0.0022173 k( 28) = ( -0.1568546 0.1366531 0.3054406), wk = 0.0022173 k( 29) = ( -0.1626640 0.1417143 0.3167532), wk = 0.0022173 k( 30) = ( -0.1684734 0.1467755 0.3280658), wk = 0.0022173 k( 31) = ( -0.1742829 0.1518368 0.3393785), wk = 0.0022173 k( 32) = ( -0.1800923 0.1568980 0.3506911), wk = 0.0022173 k( 33) = ( -0.1859017 0.1619592 0.3620037), wk = 0.0022173 k( 34) = ( -0.1917112 0.1670204 0.3733163), wk = 0.0022173 k( 35) = ( -0.1975206 0.1720817 0.3846289), wk = 0.0022173 k( 36) = ( -0.2033300 0.1771429 0.3959415), wk = 0.0022173 k( 37) = ( -0.2091395 0.1822041 0.4072541), wk = 0.0022173 k( 38) = ( -0.2149489 0.1872654 0.4185668), wk = 0.0022173 k( 39) = ( -0.2207583 0.1923266 0.4298794), wk = 0.0022173 k( 40) = ( -0.2265677 0.1973878 0.4411920), wk = 0.0022173 k( 41) = ( -0.2323772 0.2024490 0.4525046), wk = 0.0022173 k( 42) = ( -0.2381866 0.2075103 0.4638172), wk = 0.0022173 k( 43) = ( -0.2439960 0.2125715 0.4751298), wk = 0.0022173 k( 44) = ( -0.2498055 0.2176327 0.4864425), wk = 0.0022173 k( 45) = ( -0.2556149 0.2226939 0.4977551), wk = 0.0022173 k( 46) = ( -0.2614243 0.2277552 0.5090677), wk = 0.0022173 k( 47) = ( -0.2672337 0.2328164 0.5203803), wk = 0.0022173 k( 48) = ( -0.2730432 0.2378776 0.5316929), wk = 0.0022173 k( 49) = ( -0.2788526 0.2429388 0.5430055), wk = 0.0022173 k( 50) = ( -0.2846620 0.2480001 0.5543181), wk = 0.0022173 k( 51) = ( -0.2904715 0.2530613 0.5656308), wk = 0.0022173 k( 52) = ( -0.2962809 0.2581225 0.5769434), wk = 0.0022173 k( 53) = ( -0.3020903 0.2631837 0.5882560), wk = 0.0022173 k( 54) = ( -0.3078998 0.2682450 0.5995686), wk = 0.0022173 k( 55) = ( -0.3137092 0.2733062 0.6108812), wk = 0.0022173 k( 56) = ( -0.3195186 0.2783674 0.6221938), wk = 0.0022173 k( 57) = ( -0.3253280 0.2834286 0.6335064), wk = 0.0022173 k( 58) = ( -0.3311375 0.2884899 0.6448190), wk = 0.0022173 k( 59) = ( -0.3369469 0.2935511 0.6561317), wk = 0.0022173 k( 60) = ( -0.3427563 0.2986123 0.6674443), wk = 0.0022173 k( 61) = ( -0.3485658 0.3036735 0.6787569), wk = 0.0022173 k( 62) = ( -0.3543752 0.3087348 0.6900695), wk = 0.0022173 k( 63) = ( -0.3543752 0.3087348 0.6900695), wk = 0.0022173 k( 64) = ( -0.3460430 0.3014757 0.6975961), wk = 0.0022173 k( 65) = ( -0.3377109 0.2942167 0.7051226), wk = 0.0022173 k( 66) = ( -0.3293787 0.2869576 0.7126491), wk = 0.0022173 k( 67) = ( -0.3293787 0.2869576 0.7126491), wk = 0.0022173 k( 68) = ( -0.3190856 0.2779902 0.7126491), wk = 0.0022173 k( 69) = ( -0.3087925 0.2690228 0.7126491), wk = 0.0022173 k( 70) = ( -0.2984994 0.2600553 0.7126491), wk = 0.0022173 k( 71) = ( -0.2882064 0.2510879 0.7126491), wk = 0.0022173 k( 72) = ( -0.2779133 0.2421205 0.7126491), wk = 0.0022173 k( 73) = ( -0.2676202 0.2331531 0.7126491), wk = 0.0022173 k( 74) = ( -0.2573271 0.2241856 0.7126491), wk = 0.0022173 k( 75) = ( -0.2470340 0.2152182 0.7126491), wk = 0.0022173 k( 76) = ( -0.2367409 0.2062508 0.7126491), wk = 0.0022173 k( 77) = ( -0.2264479 0.1972834 0.7126491), wk = 0.0022173 k( 78) = ( -0.2161548 0.1883159 0.7126491), wk = 0.0022173 k( 79) = ( -0.2058617 0.1793485 0.7126491), wk = 0.0022173 k( 80) = ( -0.1955686 0.1703811 0.7126491), wk = 0.0022173 k( 81) = ( -0.1852755 0.1614137 0.7126491), wk = 0.0022173 k( 82) = ( -0.1749824 0.1524462 0.7126491), wk = 0.0022173 k( 83) = ( -0.1646894 0.1434788 0.7126491), wk = 0.0022173 k( 84) = ( -0.1543963 0.1345114 0.7126491), wk = 0.0022173 k( 85) = ( -0.1441032 0.1255440 0.7126491), wk = 0.0022173 k( 86) = ( -0.1338101 0.1165765 0.7126491), wk = 0.0022173 k( 87) = ( -0.1235170 0.1076091 0.7126491), wk = 0.0022173 k( 88) = ( -0.1132239 0.0986417 0.7126491), wk = 0.0022173 k( 89) = ( -0.1029309 0.0896743 0.7126491), wk = 0.0022173 k( 90) = ( -0.0926378 0.0807068 0.7126491), wk = 0.0022173 k( 91) = ( -0.0823447 0.0717394 0.7126491), wk = 0.0022173 k( 92) = ( -0.0720516 0.0627720 0.7126491), wk = 0.0022173 k( 93) = ( -0.0617585 0.0538046 0.7126491), wk = 0.0022173 k( 94) = ( -0.0514654 0.0448371 0.7126491), wk = 0.0022173 k( 95) = ( -0.0411723 0.0358697 0.7126491), wk = 0.0022173 k( 96) = ( -0.0308793 0.0269023 0.7126491), wk = 0.0022173 k( 97) = ( -0.0205862 0.0179349 0.7126491), wk = 0.0022173 k( 98) = ( -0.0102931 0.0089674 0.7126491), wk = 0.0022173 k( 99) = ( 0.0000000 0.0000000 0.7126491), wk = 0.0022173 k( 100) = ( 0.0000000 0.0000000 0.7126491), wk = 0.0022173 k( 101) = ( 0.0089286 0.0102485 0.7126491), wk = 0.0022173 k( 102) = ( 0.0178571 0.0204970 0.7126491), wk = 0.0022173 k( 103) = ( 0.0267857 0.0307455 0.7126491), wk = 0.0022173 k( 104) = ( 0.0357143 0.0409940 0.7126491), wk = 0.0022173 k( 105) = ( 0.0446429 0.0512424 0.7126491), wk = 0.0022173 k( 106) = ( 0.0535714 0.0614909 0.7126491), wk = 0.0022173 k( 107) = ( 0.0625000 0.0717394 0.7126491), wk = 0.0022173 k( 108) = ( 0.0714286 0.0819879 0.7126491), wk = 0.0022173 k( 109) = ( 0.0803571 0.0922364 0.7126491), wk = 0.0022173 k( 110) = ( 0.0892857 0.1024849 0.7126491), wk = 0.0022173 k( 111) = ( 0.0982143 0.1127334 0.7126491), wk = 0.0022173 k( 112) = ( 0.1071429 0.1229818 0.7126491), wk = 0.0022173 k( 113) = ( 0.1160714 0.1332303 0.7126491), wk = 0.0022173 k( 114) = ( 0.1250000 0.1434788 0.7126491), wk = 0.0022173 k( 115) = ( 0.1339286 0.1537273 0.7126491), wk = 0.0022173 k( 116) = ( 0.1428571 0.1639758 0.7126491), wk = 0.0022173 k( 117) = ( 0.1517857 0.1742243 0.7126491), wk = 0.0022173 k( 118) = ( 0.1607143 0.1844728 0.7126491), wk = 0.0022173 k( 119) = ( 0.1696429 0.1947212 0.7126491), wk = 0.0022173 k( 120) = ( 0.1785714 0.2049697 0.7126491), wk = 0.0022173 k( 121) = ( 0.1875000 0.2152182 0.7126491), wk = 0.0022173 k( 122) = ( 0.1964286 0.2254667 0.7126491), wk = 0.0022173 k( 123) = ( 0.2053571 0.2357152 0.7126491), wk = 0.0022173 k( 124) = ( 0.2142857 0.2459637 0.7126491), wk = 0.0022173 k( 125) = ( 0.2232143 0.2562122 0.7126491), wk = 0.0022173 k( 126) = ( 0.2321429 0.2664607 0.7126491), wk = 0.0022173 k( 127) = ( 0.2410714 0.2767091 0.7126491), wk = 0.0022173 k( 128) = ( 0.2500000 0.2869576 0.7126491), wk = 0.0022173 k( 129) = ( 0.2500000 0.2869576 0.7126491), wk = 0.0022173 k( 130) = ( 0.2416667 0.2942177 0.7051215), wk = 0.0022173 k( 131) = ( 0.2333333 0.3014778 0.6975939), wk = 0.0022173 k( 132) = ( 0.2250000 0.3087378 0.6900663), wk = 0.0022173 k( 133) = ( 0.2166667 0.3159979 0.6825387), wk = 0.0022173 k( 134) = ( 0.2083333 0.3232580 0.6750111), wk = 0.0022173 k( 135) = ( 0.2000000 0.3305181 0.6674835), wk = 0.0022173 k( 136) = ( 0.1916667 0.3377781 0.6599560), wk = 0.0022173 k( 137) = ( 0.1833333 0.3450382 0.6524284), wk = 0.0022173 k( 138) = ( 0.1750000 0.3522983 0.6449008), wk = 0.0022173 k( 139) = ( 0.1666667 0.3595584 0.6373732), wk = 0.0022173 k( 140) = ( 0.1583333 0.3668184 0.6298456), wk = 0.0022173 k( 141) = ( 0.1500000 0.3740785 0.6223180), wk = 0.0022173 k( 142) = ( 0.1416667 0.3813386 0.6147904), wk = 0.0022173 k( 143) = ( 0.1333333 0.3885986 0.6072628), wk = 0.0022173 k( 144) = ( 0.1250000 0.3958587 0.5997352), wk = 0.0022173 k( 145) = ( 0.1166667 0.4031188 0.5922076), wk = 0.0022173 k( 146) = ( 0.1083333 0.4103789 0.5846800), wk = 0.0022173 k( 147) = ( 0.1000000 0.4176389 0.5771524), wk = 0.0022173 k( 148) = ( 0.0916667 0.4248990 0.5696248), wk = 0.0022173 k( 149) = ( 0.0833333 0.4321591 0.5620972), wk = 0.0022173 k( 150) = ( 0.0750000 0.4394192 0.5545696), wk = 0.0022173 k( 151) = ( 0.0666667 0.4466792 0.5470420), wk = 0.0022173 k( 152) = ( 0.0583333 0.4539393 0.5395144), wk = 0.0022173 k( 153) = ( 0.0500000 0.4611994 0.5319868), wk = 0.0022173 k( 154) = ( 0.0416667 0.4684594 0.5244593), wk = 0.0022173 k( 155) = ( 0.0333333 0.4757195 0.5169317), wk = 0.0022173 k( 156) = ( 0.0250000 0.4829796 0.5094041), wk = 0.0022173 k( 157) = ( 0.0166667 0.4902397 0.5018765), wk = 0.0022173 k( 158) = ( 0.0083333 0.4974997 0.4943489), wk = 0.0022173 k( 159) = ( 0.0000000 0.5047598 0.4868213), wk = 0.0022173 k( 160) = ( 0.0000000 0.5047598 0.4868213), wk = 0.0022173 k( 161) = ( 0.0104228 0.5105253 0.4808434), wk = 0.0022173 k( 162) = ( 0.0208456 0.5162907 0.4748655), wk = 0.0022173 k( 163) = ( 0.0312684 0.5220561 0.4688876), wk = 0.0022173 k( 164) = ( 0.0416912 0.5278216 0.4629097), wk = 0.0022173 k( 165) = ( 0.0521140 0.5335870 0.4569318), wk = 0.0022173 k( 166) = ( 0.0625368 0.5393525 0.4509539), wk = 0.0022173 k( 167) = ( 0.0729596 0.5451179 0.4449761), wk = 0.0022173 k( 168) = ( 0.0833824 0.5508834 0.4389982), wk = 0.0022173 k( 169) = ( 0.0938052 0.5566488 0.4330203), wk = 0.0022173 k( 170) = ( 0.1042280 0.5624142 0.4270424), wk = 0.0022173 k( 171) = ( 0.1146508 0.5681797 0.4210645), wk = 0.0022173 k( 172) = ( 0.1250736 0.5739451 0.4150866), wk = 0.0022173 k( 173) = ( 0.1354964 0.5797106 0.4091087), wk = 0.0022173 k( 174) = ( 0.1459192 0.5854760 0.4031308), wk = 0.0022173 k( 175) = ( 0.1563420 0.5912415 0.3971529), wk = 0.0022173 k( 176) = ( 0.1667648 0.5970069 0.3911751), wk = 0.0022173 k( 177) = ( 0.1771876 0.6027723 0.3851972), wk = 0.0022173 k( 178) = ( 0.1876104 0.6085378 0.3792193), wk = 0.0022173 k( 179) = ( 0.1980332 0.6143032 0.3732414), wk = 0.0022173 k( 180) = ( 0.2084560 0.6200687 0.3672635), wk = 0.0022173 k( 181) = ( 0.2188788 0.6258341 0.3612856), wk = 0.0022173 k( 182) = ( 0.2293016 0.6315995 0.3553077), wk = 0.0022173 k( 183) = ( 0.2397244 0.6373650 0.3493298), wk = 0.0022173 k( 184) = ( 0.2501472 0.6431304 0.3433519), wk = 0.0022173 k( 185) = ( 0.2605700 0.6488959 0.3373740), wk = 0.0022173 k( 186) = ( 0.2709928 0.6546613 0.3313962), wk = 0.0022173 k( 187) = ( 0.2814156 0.6604268 0.3254183), wk = 0.0022173 k( 188) = ( 0.2918384 0.6661922 0.3194404), wk = 0.0022173 k( 189) = ( 0.3022612 0.6719576 0.3134625), wk = 0.0022173 k( 190) = ( 0.3126840 0.6777231 0.3074846), wk = 0.0022173 k( 191) = ( 0.3231068 0.6834885 0.3015067), wk = 0.0022173 k( 192) = ( 0.3335296 0.6892540 0.2955288), wk = 0.0022173 k( 193) = ( 0.3439524 0.6950194 0.2895509), wk = 0.0022173 k( 194) = ( 0.3543752 0.7007849 0.2835730), wk = 0.0022173 k( 195) = ( 0.3543752 0.7007849 0.2835730), wk = 0.0022173 k( 196) = ( 0.3599761 0.6959053 0.2726664), wk = 0.0022173 k( 197) = ( 0.3655771 0.6910257 0.2617597), wk = 0.0022173 k( 198) = ( 0.3711780 0.6861461 0.2508531), wk = 0.0022173 k( 199) = ( 0.3767790 0.6812665 0.2399464), wk = 0.0022173 k( 200) = ( 0.3823800 0.6763869 0.2290398), wk = 0.0022173 k( 201) = ( 0.3879809 0.6715073 0.2181331), wk = 0.0022173 k( 202) = ( 0.3935819 0.6666277 0.2072265), wk = 0.0022173 k( 203) = ( 0.3991828 0.6617481 0.1963198), wk = 0.0022173 k( 204) = ( 0.4047838 0.6568685 0.1854131), wk = 0.0022173 k( 205) = ( 0.4103847 0.6519889 0.1745065), wk = 0.0022173 k( 206) = ( 0.4159857 0.6471093 0.1635998), wk = 0.0022173 k( 207) = ( 0.4215866 0.6422297 0.1526932), wk = 0.0022173 k( 208) = ( 0.4271876 0.6373501 0.1417865), wk = 0.0022173 k( 209) = ( 0.4327885 0.6324705 0.1308799), wk = 0.0022173 k( 210) = ( 0.4383895 0.6275909 0.1199732), wk = 0.0022173 k( 211) = ( 0.4439904 0.6227113 0.1090666), wk = 0.0022173 k( 212) = ( 0.4495914 0.6178316 0.0981599), wk = 0.0022173 k( 213) = ( 0.4551924 0.6129521 0.0872533), wk = 0.0022173 k( 214) = ( 0.4607933 0.6080724 0.0763466), wk = 0.0022173 k( 215) = ( 0.4663943 0.6031928 0.0654399), wk = 0.0022173 k( 216) = ( 0.4719952 0.5983132 0.0545333), wk = 0.0022173 k( 217) = ( 0.4775962 0.5934336 0.0436266), wk = 0.0022173 k( 218) = ( 0.4831971 0.5885540 0.0327200), wk = 0.0022173 k( 219) = ( 0.4887981 0.5836744 0.0218133), wk = 0.0022173 k( 220) = ( 0.4943991 0.5787948 0.0109066), wk = 0.0022173 k( 221) = ( 0.5000000 0.5739152 0.0000000), wk = 0.0022173 k( 222) = ( 0.5000000 0.5739152 0.0000000), wk = 0.0022173 k( 223) = ( 0.4910714 0.5636668 0.0000000), wk = 0.0022173 k( 224) = ( 0.4821429 0.5534183 0.0000000), wk = 0.0022173 k( 225) = ( 0.4732143 0.5431698 0.0000000), wk = 0.0022173 k( 226) = ( 0.4642857 0.5329213 0.0000000), wk = 0.0022173 k( 227) = ( 0.4553571 0.5226728 0.0000000), wk = 0.0022173 k( 228) = ( 0.4464286 0.5124243 0.0000000), wk = 0.0022173 k( 229) = ( 0.4375000 0.5021758 0.0000000), wk = 0.0022173 k( 230) = ( 0.4285714 0.4919274 0.0000000), wk = 0.0022173 k( 231) = ( 0.4196429 0.4816789 0.0000000), wk = 0.0022173 k( 232) = ( 0.4107143 0.4714304 0.0000000), wk = 0.0022173 k( 233) = ( 0.4017857 0.4611819 0.0000000), wk = 0.0022173 k( 234) = ( 0.3928571 0.4509334 0.0000000), wk = 0.0022173 k( 235) = ( 0.3839286 0.4406849 0.0000000), wk = 0.0022173 k( 236) = ( 0.3750000 0.4304364 0.0000000), wk = 0.0022173 k( 237) = ( 0.3660714 0.4201879 0.0000000), wk = 0.0022173 k( 238) = ( 0.3571429 0.4099395 0.0000000), wk = 0.0022173 k( 239) = ( 0.3482143 0.3996910 0.0000000), wk = 0.0022173 k( 240) = ( 0.3392857 0.3894425 0.0000000), wk = 0.0022173 k( 241) = ( 0.3303571 0.3791940 0.0000000), wk = 0.0022173 k( 242) = ( 0.3214286 0.3689455 0.0000000), wk = 0.0022173 k( 243) = ( 0.3125000 0.3586970 0.0000000), wk = 0.0022173 k( 244) = ( 0.3035714 0.3484485 0.0000000), wk = 0.0022173 k( 245) = ( 0.2946429 0.3382001 0.0000000), wk = 0.0022173 k( 246) = ( 0.2857143 0.3279516 0.0000000), wk = 0.0022173 k( 247) = ( 0.2767857 0.3177031 0.0000000), wk = 0.0022173 k( 248) = ( 0.2678571 0.3074546 0.0000000), wk = 0.0022173 k( 249) = ( 0.2589286 0.2972061 0.0000000), wk = 0.0022173 k( 250) = ( 0.2500000 0.2869576 0.0000000), wk = 0.0022173 k( 251) = ( 0.2410714 0.2767091 0.0000000), wk = 0.0022173 k( 252) = ( 0.2321429 0.2664607 0.0000000), wk = 0.0022173 k( 253) = ( 0.2232143 0.2562122 0.0000000), wk = 0.0022173 k( 254) = ( 0.2142857 0.2459637 0.0000000), wk = 0.0022173 k( 255) = ( 0.2053571 0.2357152 0.0000000), wk = 0.0022173 k( 256) = ( 0.1964286 0.2254667 0.0000000), wk = 0.0022173 k( 257) = ( 0.1875000 0.2152182 0.0000000), wk = 0.0022173 k( 258) = ( 0.1785714 0.2049697 0.0000000), wk = 0.0022173 k( 259) = ( 0.1696429 0.1947212 0.0000000), wk = 0.0022173 k( 260) = ( 0.1607143 0.1844728 0.0000000), wk = 0.0022173 k( 261) = ( 0.1517857 0.1742243 0.0000000), wk = 0.0022173 k( 262) = ( 0.1428571 0.1639758 0.0000000), wk = 0.0022173 k( 263) = ( 0.1339286 0.1537273 0.0000000), wk = 0.0022173 k( 264) = ( 0.1250000 0.1434788 0.0000000), wk = 0.0022173 k( 265) = ( 0.1160714 0.1332303 0.0000000), wk = 0.0022173 k( 266) = ( 0.1071429 0.1229818 0.0000000), wk = 0.0022173 k( 267) = ( 0.0982143 0.1127334 0.0000000), wk = 0.0022173 k( 268) = ( 0.0892857 0.1024849 0.0000000), wk = 0.0022173 k( 269) = ( 0.0803571 0.0922364 0.0000000), wk = 0.0022173 k( 270) = ( 0.0714286 0.0819879 0.0000000), wk = 0.0022173 k( 271) = ( 0.0625000 0.0717394 0.0000000), wk = 0.0022173 k( 272) = ( 0.0535714 0.0614909 0.0000000), wk = 0.0022173 k( 273) = ( 0.0446429 0.0512424 0.0000000), wk = 0.0022173 k( 274) = ( 0.0357143 0.0409940 0.0000000), wk = 0.0022173 k( 275) = ( 0.0267857 0.0307455 0.0000000), wk = 0.0022173 k( 276) = ( 0.0178571 0.0204970 0.0000000), wk = 0.0022173 k( 277) = ( 0.0089286 0.0102485 0.0000000), wk = 0.0022173 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 280) = ( 0.0084822 -0.0073898 0.0076621), wk = 0.0022173 k( 281) = ( 0.0169644 -0.0147795 0.0153241), wk = 0.0022173 k( 282) = ( 0.0254466 -0.0221693 0.0229862), wk = 0.0022173 k( 283) = ( 0.0339288 -0.0295591 0.0306483), wk = 0.0022173 k( 284) = ( 0.0424110 -0.0369489 0.0383104), wk = 0.0022173 k( 285) = ( 0.0508932 -0.0443386 0.0459724), wk = 0.0022173 k( 286) = ( 0.0593754 -0.0517284 0.0536345), wk = 0.0022173 k( 287) = ( 0.0678577 -0.0591182 0.0612966), wk = 0.0022173 k( 288) = ( 0.0763399 -0.0665079 0.0689587), wk = 0.0022173 k( 289) = ( 0.0848221 -0.0738977 0.0766207), wk = 0.0022173 k( 290) = ( 0.0933043 -0.0812875 0.0842828), wk = 0.0022173 k( 291) = ( 0.1017865 -0.0886773 0.0919449), wk = 0.0022173 k( 292) = ( 0.1102687 -0.0960670 0.0996069), wk = 0.0022173 k( 293) = ( 0.1187509 -0.1034568 0.1072690), wk = 0.0022173 k( 294) = ( 0.1272331 -0.1108466 0.1149311), wk = 0.0022173 k( 295) = ( 0.1357153 -0.1182364 0.1225932), wk = 0.0022173 k( 296) = ( 0.1441975 -0.1256261 0.1302552), wk = 0.0022173 k( 297) = ( 0.1526797 -0.1330159 0.1379173), wk = 0.0022173 k( 298) = ( 0.1611619 -0.1404057 0.1455794), wk = 0.0022173 k( 299) = ( 0.1696441 -0.1477954 0.1532415), wk = 0.0022173 k( 300) = ( 0.1781263 -0.1551852 0.1609035), wk = 0.0022173 k( 301) = ( 0.1866085 -0.1625750 0.1685656), wk = 0.0022173 k( 302) = ( 0.1950907 -0.1699648 0.1762277), wk = 0.0022173 k( 303) = ( 0.2035729 -0.1773545 0.1838897), wk = 0.0022173 k( 304) = ( 0.2120551 -0.1847443 0.1915518), wk = 0.0022173 k( 305) = ( 0.2205373 -0.1921341 0.1992139), wk = 0.0022173 k( 306) = ( 0.2290196 -0.1995239 0.2068760), wk = 0.0022173 k( 307) = ( 0.2375018 -0.2069136 0.2145380), wk = 0.0022173 k( 308) = ( 0.2459840 -0.2143034 0.2222001), wk = 0.0022173 k( 309) = ( 0.2544662 -0.2216932 0.2298622), wk = 0.0022173 k( 310) = ( 0.2629484 -0.2290829 0.2375243), wk = 0.0022173 k( 311) = ( 0.2714306 -0.2364727 0.2451863), wk = 0.0022173 k( 312) = ( 0.2799128 -0.2438625 0.2528484), wk = 0.0022173 k( 313) = ( 0.2883950 -0.2512523 0.2605105), wk = 0.0022173 k( 314) = ( 0.2968772 -0.2586420 0.2681725), wk = 0.0022173 k( 315) = ( 0.3053594 -0.2660318 0.2758346), wk = 0.0022173 k( 316) = ( 0.3138416 -0.2734216 0.2834967), wk = 0.0022173 k( 317) = ( 0.3223238 -0.2808113 0.2911588), wk = 0.0022173 k( 318) = ( 0.3308060 -0.2882011 0.2988208), wk = 0.0022173 k( 319) = ( 0.3392882 -0.2955909 0.3064829), wk = 0.0022173 k( 320) = ( 0.3477704 -0.3029807 0.3141450), wk = 0.0022173 k( 321) = ( 0.3562526 -0.3103704 0.3218071), wk = 0.0022173 k( 322) = ( 0.3647348 -0.3177602 0.3294691), wk = 0.0022173 k( 323) = ( 0.3732171 -0.3251500 0.3371312), wk = 0.0022173 k( 324) = ( 0.3816993 -0.3325397 0.3447933), wk = 0.0022173 k( 325) = ( 0.3901815 -0.3399295 0.3524553), wk = 0.0022173 k( 326) = ( 0.3986637 -0.3473193 0.3601174), wk = 0.0022173 k( 327) = ( 0.4071459 -0.3547091 0.3677795), wk = 0.0022173 k( 328) = ( 0.4156281 -0.3620988 0.3754416), wk = 0.0022173 k( 329) = ( 0.4241103 -0.3694886 0.3831036), wk = 0.0022173 k( 330) = ( 0.4325925 -0.3768784 0.3907657), wk = 0.0022173 k( 331) = ( 0.4410747 -0.3842682 0.3984278), wk = 0.0022173 k( 332) = ( 0.4495569 -0.3916579 0.4060899), wk = 0.0022173 k( 333) = ( 0.4580391 -0.3990477 0.4137519), wk = 0.0022173 k( 334) = ( 0.4665213 -0.4064375 0.4214140), wk = 0.0022173 k( 335) = ( 0.4750035 -0.4138272 0.4290761), wk = 0.0022173 k( 336) = ( 0.4750035 -0.4138272 0.4290761), wk = 0.0022173 k( 337) = ( 0.4756445 -0.4014431 0.4238646), wk = 0.0022173 k( 338) = ( 0.4762854 -0.3890589 0.4186531), wk = 0.0022173 k( 339) = ( 0.4769263 -0.3766747 0.4134416), wk = 0.0022173 k( 340) = ( 0.4775673 -0.3642906 0.4082301), wk = 0.0022173 k( 341) = ( 0.4782082 -0.3519064 0.4030186), wk = 0.0022173 k( 342) = ( 0.4788491 -0.3395222 0.3978071), wk = 0.0022173 k( 343) = ( 0.4794901 -0.3271380 0.3925956), wk = 0.0022173 k( 344) = ( 0.4801310 -0.3147539 0.3873841), wk = 0.0022173 k( 345) = ( 0.4807719 -0.3023697 0.3821726), wk = 0.0022173 k( 346) = ( 0.4814129 -0.2899855 0.3769611), wk = 0.0022173 k( 347) = ( 0.4820538 -0.2776014 0.3717496), wk = 0.0022173 k( 348) = ( 0.4826948 -0.2652172 0.3665382), wk = 0.0022173 k( 349) = ( 0.4833357 -0.2528330 0.3613267), wk = 0.0022173 k( 350) = ( 0.4839766 -0.2404488 0.3561152), wk = 0.0022173 k( 351) = ( 0.4846176 -0.2280647 0.3509037), wk = 0.0022173 k( 352) = ( 0.4852585 -0.2156805 0.3456922), wk = 0.0022173 k( 353) = ( 0.4858994 -0.2032963 0.3404807), wk = 0.0022173 k( 354) = ( 0.4865404 -0.1909122 0.3352692), wk = 0.0022173 k( 355) = ( 0.4871813 -0.1785280 0.3300577), wk = 0.0022173 k( 356) = ( 0.4878222 -0.1661438 0.3248462), wk = 0.0022173 k( 357) = ( 0.4884632 -0.1537597 0.3196347), wk = 0.0022173 k( 358) = ( 0.4891041 -0.1413755 0.3144232), wk = 0.0022173 k( 359) = ( 0.4897450 -0.1289913 0.3092117), wk = 0.0022173 k( 360) = ( 0.4903860 -0.1166071 0.3040002), wk = 0.0022173 k( 361) = ( 0.4910269 -0.1042230 0.2987887), wk = 0.0022173 k( 362) = ( 0.4916678 -0.0918388 0.2935772), wk = 0.0022173 k( 363) = ( 0.4923088 -0.0794546 0.2883658), wk = 0.0022173 k( 364) = ( 0.4929497 -0.0670705 0.2831543), wk = 0.0022173 k( 365) = ( 0.4935907 -0.0546863 0.2779428), wk = 0.0022173 k( 366) = ( 0.4942316 -0.0423021 0.2727313), wk = 0.0022173 k( 367) = ( 0.4948725 -0.0299179 0.2675198), wk = 0.0022173 k( 368) = ( 0.4955135 -0.0175338 0.2623083), wk = 0.0022173 k( 369) = ( 0.4961544 -0.0051496 0.2570968), wk = 0.0022173 k( 370) = ( 0.4967953 0.0072346 0.2518853), wk = 0.0022173 k( 371) = ( 0.4974363 0.0196187 0.2466738), wk = 0.0022173 k( 372) = ( 0.4980772 0.0320029 0.2414623), wk = 0.0022173 k( 373) = ( 0.4987181 0.0443871 0.2362508), wk = 0.0022173 k( 374) = ( 0.4993591 0.0567713 0.2310393), wk = 0.0022173 k( 375) = ( 0.5000000 0.0691554 0.2258278), wk = 0.0022173 k( 376) = ( 0.5000000 0.0691554 0.2258278), wk = 0.0022173 k( 377) = ( 0.4943182 0.0741055 0.2368920), wk = 0.0022173 k( 378) = ( 0.4886364 0.0790555 0.2479561), wk = 0.0022173 k( 379) = ( 0.4829545 0.0840056 0.2590202), wk = 0.0022173 k( 380) = ( 0.4772727 0.0889556 0.2700843), wk = 0.0022173 k( 381) = ( 0.4715909 0.0939057 0.2811484), wk = 0.0022173 k( 382) = ( 0.4659091 0.0988557 0.2922126), wk = 0.0022173 k( 383) = ( 0.4602273 0.1038058 0.3032767), wk = 0.0022173 k( 384) = ( 0.4545455 0.1087558 0.3143408), wk = 0.0022173 k( 385) = ( 0.4488636 0.1137059 0.3254049), wk = 0.0022173 k( 386) = ( 0.4431818 0.1186559 0.3364690), wk = 0.0022173 k( 387) = ( 0.4375000 0.1236060 0.3475332), wk = 0.0022173 k( 388) = ( 0.4318182 0.1285560 0.3585973), wk = 0.0022173 k( 389) = ( 0.4261364 0.1335061 0.3696614), wk = 0.0022173 k( 390) = ( 0.4204545 0.1384561 0.3807255), wk = 0.0022173 k( 391) = ( 0.4147727 0.1434062 0.3917896), wk = 0.0022173 k( 392) = ( 0.4090909 0.1483562 0.4028538), wk = 0.0022173 k( 393) = ( 0.4034091 0.1533063 0.4139179), wk = 0.0022173 k( 394) = ( 0.3977273 0.1582563 0.4249820), wk = 0.0022173 k( 395) = ( 0.3920455 0.1632064 0.4360461), wk = 0.0022173 k( 396) = ( 0.3863636 0.1681564 0.4471102), wk = 0.0022173 k( 397) = ( 0.3806818 0.1731065 0.4581744), wk = 0.0022173 k( 398) = ( 0.3750000 0.1780565 0.4692385), wk = 0.0022173 k( 399) = ( 0.3693182 0.1830066 0.4803026), wk = 0.0022173 k( 400) = ( 0.3636364 0.1879566 0.4913667), wk = 0.0022173 k( 401) = ( 0.3579545 0.1929067 0.5024308), wk = 0.0022173 k( 402) = ( 0.3522727 0.1978567 0.5134950), wk = 0.0022173 k( 403) = ( 0.3465909 0.2028068 0.5245591), wk = 0.0022173 k( 404) = ( 0.3409091 0.2077568 0.5356232), wk = 0.0022173 k( 405) = ( 0.3352273 0.2127069 0.5466873), wk = 0.0022173 k( 406) = ( 0.3295455 0.2176569 0.5577514), wk = 0.0022173 k( 407) = ( 0.3238636 0.2226070 0.5688155), wk = 0.0022173 k( 408) = ( 0.3181818 0.2275570 0.5798797), wk = 0.0022173 k( 409) = ( 0.3125000 0.2325071 0.5909438), wk = 0.0022173 k( 410) = ( 0.3068182 0.2374571 0.6020079), wk = 0.0022173 k( 411) = ( 0.3011364 0.2424072 0.6130720), wk = 0.0022173 k( 412) = ( 0.2954545 0.2473572 0.6241361), wk = 0.0022173 k( 413) = ( 0.2897727 0.2523073 0.6352003), wk = 0.0022173 k( 414) = ( 0.2840909 0.2572573 0.6462644), wk = 0.0022173 k( 415) = ( 0.2784091 0.2622074 0.6573285), wk = 0.0022173 k( 416) = ( 0.2727273 0.2671574 0.6683926), wk = 0.0022173 k( 417) = ( 0.2670455 0.2721075 0.6794568), wk = 0.0022173 k( 418) = ( 0.2613636 0.2770575 0.6905209), wk = 0.0022173 k( 419) = ( 0.2556818 0.2820076 0.7015850), wk = 0.0022173 k( 420) = ( 0.2500000 0.2869576 0.7126491), wk = 0.0022173 k( 421) = ( 0.3293787 -0.2869576 0.7126491), wk = 0.0022173 k( 422) = ( 0.3349797 -0.2918372 0.7017425), wk = 0.0022173 k( 423) = ( 0.3405806 -0.2967168 0.6908358), wk = 0.0022173 k( 424) = ( 0.3461816 -0.3015964 0.6799291), wk = 0.0022173 k( 425) = ( 0.3517825 -0.3064760 0.6690225), wk = 0.0022173 k( 426) = ( 0.3573835 -0.3113556 0.6581158), wk = 0.0022173 k( 427) = ( 0.3629844 -0.3162352 0.6472092), wk = 0.0022173 k( 428) = ( 0.3685854 -0.3211148 0.6363025), wk = 0.0022173 k( 429) = ( 0.3741863 -0.3259944 0.6253959), wk = 0.0022173 k( 430) = ( 0.3797873 -0.3308740 0.6144892), wk = 0.0022173 k( 431) = ( 0.3853882 -0.3357536 0.6035826), wk = 0.0022173 k( 432) = ( 0.3909892 -0.3406332 0.5926759), wk = 0.0022173 k( 433) = ( 0.3965902 -0.3455128 0.5817693), wk = 0.0022173 k( 434) = ( 0.4021911 -0.3503924 0.5708626), wk = 0.0022173 k( 435) = ( 0.4077921 -0.3552720 0.5599559), wk = 0.0022173 k( 436) = ( 0.4133930 -0.3601516 0.5490493), wk = 0.0022173 k( 437) = ( 0.4189940 -0.3650312 0.5381426), wk = 0.0022173 k( 438) = ( 0.4245949 -0.3699108 0.5272360), wk = 0.0022173 k( 439) = ( 0.4301959 -0.3747904 0.5163293), wk = 0.0022173 k( 440) = ( 0.4357968 -0.3796700 0.5054227), wk = 0.0022173 k( 441) = ( 0.4413978 -0.3845496 0.4945160), wk = 0.0022173 k( 442) = ( 0.4469988 -0.3894292 0.4836094), wk = 0.0022173 k( 443) = ( 0.4525997 -0.3943088 0.4727027), wk = 0.0022173 k( 444) = ( 0.4582007 -0.3991884 0.4617960), wk = 0.0022173 k( 445) = ( 0.4638016 -0.4040680 0.4508894), wk = 0.0022173 k( 446) = ( 0.4694026 -0.4089476 0.4399827), wk = 0.0022173 k( 447) = ( 0.4750035 -0.4138272 0.4290761), wk = 0.0022173 k( 448) = ( 0.5249965 0.5521381 0.0225796), wk = 0.0022173 k( 449) = ( 0.5166643 0.5593971 0.0150531), wk = 0.0022173 k( 450) = ( 0.5083322 0.5666562 0.0075265), wk = 0.0022173 k( 451) = ( 0.5000000 0.5739152 0.0000000), wk = 0.0022173 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 2) = ( -0.0058094 0.0058094 0.0058094), wk = 0.0022173 k( 3) = ( -0.0116189 0.0116189 0.0116189), wk = 0.0022173 k( 4) = ( -0.0174283 0.0174283 0.0174283), wk = 0.0022173 k( 5) = ( -0.0232377 0.0232377 0.0232377), wk = 0.0022173 k( 6) = ( -0.0290472 0.0290471 0.0290472), wk = 0.0022173 k( 7) = ( -0.0348566 0.0348566 0.0348566), wk = 0.0022173 k( 8) = ( -0.0406660 0.0406660 0.0406660), wk = 0.0022173 k( 9) = ( -0.0464754 0.0464754 0.0464754), wk = 0.0022173 k( 10) = ( -0.0522849 0.0522849 0.0522849), wk = 0.0022173 k( 11) = ( -0.0580943 0.0580943 0.0580943), wk = 0.0022173 k( 12) = ( -0.0639037 0.0639037 0.0639037), wk = 0.0022173 k( 13) = ( -0.0697132 0.0697132 0.0697132), wk = 0.0022173 k( 14) = ( -0.0755226 0.0755226 0.0755226), wk = 0.0022173 k( 15) = ( -0.0813320 0.0813320 0.0813320), wk = 0.0022173 k( 16) = ( -0.0871414 0.0871414 0.0871414), wk = 0.0022173 k( 17) = ( -0.0929509 0.0929509 0.0929509), wk = 0.0022173 k( 18) = ( -0.0987603 0.0987603 0.0987603), wk = 0.0022173 k( 19) = ( -0.1045697 0.1045697 0.1045697), wk = 0.0022173 k( 20) = ( -0.1103791 0.1103791 0.1103791), wk = 0.0022173 k( 21) = ( -0.1161886 0.1161886 0.1161886), wk = 0.0022173 k( 22) = ( -0.1219980 0.1219980 0.1219980), wk = 0.0022173 k( 23) = ( -0.1278074 0.1278074 0.1278074), wk = 0.0022173 k( 24) = ( -0.1336169 0.1336169 0.1336169), wk = 0.0022173 k( 25) = ( -0.1394263 0.1394263 0.1394263), wk = 0.0022173 k( 26) = ( -0.1452357 0.1452357 0.1452357), wk = 0.0022173 k( 27) = ( -0.1510452 0.1510452 0.1510452), wk = 0.0022173 k( 28) = ( -0.1568546 0.1568546 0.1568546), wk = 0.0022173 k( 29) = ( -0.1626640 0.1626640 0.1626640), wk = 0.0022173 k( 30) = ( -0.1684734 0.1684734 0.1684734), wk = 0.0022173 k( 31) = ( -0.1742829 0.1742829 0.1742829), wk = 0.0022173 k( 32) = ( -0.1800923 0.1800923 0.1800923), wk = 0.0022173 k( 33) = ( -0.1859017 0.1859017 0.1859017), wk = 0.0022173 k( 34) = ( -0.1917112 0.1917112 0.1917112), wk = 0.0022173 k( 35) = ( -0.1975206 0.1975206 0.1975206), wk = 0.0022173 k( 36) = ( -0.2033300 0.2033300 0.2033300), wk = 0.0022173 k( 37) = ( -0.2091395 0.2091394 0.2091394), wk = 0.0022173 k( 38) = ( -0.2149489 0.2149489 0.2149489), wk = 0.0022173 k( 39) = ( -0.2207583 0.2207583 0.2207583), wk = 0.0022173 k( 40) = ( -0.2265677 0.2265677 0.2265677), wk = 0.0022173 k( 41) = ( -0.2323772 0.2323772 0.2323772), wk = 0.0022173 k( 42) = ( -0.2381866 0.2381866 0.2381866), wk = 0.0022173 k( 43) = ( -0.2439960 0.2439960 0.2439960), wk = 0.0022173 k( 44) = ( -0.2498055 0.2498055 0.2498055), wk = 0.0022173 k( 45) = ( -0.2556149 0.2556149 0.2556149), wk = 0.0022173 k( 46) = ( -0.2614243 0.2614243 0.2614243), wk = 0.0022173 k( 47) = ( -0.2672337 0.2672337 0.2672337), wk = 0.0022173 k( 48) = ( -0.2730432 0.2730432 0.2730432), wk = 0.0022173 k( 49) = ( -0.2788526 0.2788526 0.2788526), wk = 0.0022173 k( 50) = ( -0.2846620 0.2846620 0.2846620), wk = 0.0022173 k( 51) = ( -0.2904715 0.2904715 0.2904715), wk = 0.0022173 k( 52) = ( -0.2962809 0.2962809 0.2962809), wk = 0.0022173 k( 53) = ( -0.3020903 0.3020903 0.3020903), wk = 0.0022173 k( 54) = ( -0.3078998 0.3078998 0.3078998), wk = 0.0022173 k( 55) = ( -0.3137092 0.3137092 0.3137092), wk = 0.0022173 k( 56) = ( -0.3195186 0.3195186 0.3195186), wk = 0.0022173 k( 57) = ( -0.3253280 0.3253280 0.3253280), wk = 0.0022173 k( 58) = ( -0.3311375 0.3311375 0.3311375), wk = 0.0022173 k( 59) = ( -0.3369469 0.3369469 0.3369469), wk = 0.0022173 k( 60) = ( -0.3427563 0.3427563 0.3427563), wk = 0.0022173 k( 61) = ( -0.3485658 0.3485657 0.3485658), wk = 0.0022173 k( 62) = ( -0.3543752 0.3543752 0.3543752), wk = 0.0022173 k( 63) = ( -0.3543752 0.3543752 0.3543752), wk = 0.0022173 k( 64) = ( -0.3460430 0.3460430 0.3627073), wk = 0.0022173 k( 65) = ( -0.3377109 0.3377109 0.3710395), wk = 0.0022173 k( 66) = ( -0.3293787 0.3293787 0.3793717), wk = 0.0022173 k( 67) = ( -0.3293787 0.3293787 0.3793717), wk = 0.0022173 k( 68) = ( -0.3190856 0.3190856 0.3831413), wk = 0.0022173 k( 69) = ( -0.3087925 0.3087925 0.3869109), wk = 0.0022173 k( 70) = ( -0.2984994 0.2984994 0.3906806), wk = 0.0022173 k( 71) = ( -0.2882064 0.2882064 0.3944502), wk = 0.0022173 k( 72) = ( -0.2779133 0.2779133 0.3982198), wk = 0.0022173 k( 73) = ( -0.2676202 0.2676202 0.4019895), wk = 0.0022173 k( 74) = ( -0.2573271 0.2573271 0.4057591), wk = 0.0022173 k( 75) = ( -0.2470340 0.2470340 0.4095287), wk = 0.0022173 k( 76) = ( -0.2367409 0.2367409 0.4132984), wk = 0.0022173 k( 77) = ( -0.2264479 0.2264479 0.4170680), wk = 0.0022173 k( 78) = ( -0.2161548 0.2161548 0.4208376), wk = 0.0022173 k( 79) = ( -0.2058617 0.2058617 0.4246073), wk = 0.0022173 k( 80) = ( -0.1955686 0.1955686 0.4283769), wk = 0.0022173 k( 81) = ( -0.1852755 0.1852755 0.4321466), wk = 0.0022173 k( 82) = ( -0.1749824 0.1749824 0.4359162), wk = 0.0022173 k( 83) = ( -0.1646894 0.1646893 0.4396858), wk = 0.0022173 k( 84) = ( -0.1543963 0.1543963 0.4434555), wk = 0.0022173 k( 85) = ( -0.1441032 0.1441032 0.4472251), wk = 0.0022173 k( 86) = ( -0.1338101 0.1338101 0.4509947), wk = 0.0022173 k( 87) = ( -0.1235170 0.1235170 0.4547644), wk = 0.0022173 k( 88) = ( -0.1132239 0.1132239 0.4585340), wk = 0.0022173 k( 89) = ( -0.1029309 0.1029308 0.4623036), wk = 0.0022173 k( 90) = ( -0.0926378 0.0926378 0.4660733), wk = 0.0022173 k( 91) = ( -0.0823447 0.0823447 0.4698429), wk = 0.0022173 k( 92) = ( -0.0720516 0.0720516 0.4736126), wk = 0.0022173 k( 93) = ( -0.0617585 0.0617585 0.4773822), wk = 0.0022173 k( 94) = ( -0.0514654 0.0514654 0.4811518), wk = 0.0022173 k( 95) = ( -0.0411723 0.0411723 0.4849215), wk = 0.0022173 k( 96) = ( -0.0308793 0.0308792 0.4886911), wk = 0.0022173 k( 97) = ( -0.0205862 0.0205862 0.4924607), wk = 0.0022173 k( 98) = ( -0.0102931 0.0102931 0.4962304), wk = 0.0022173 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022173 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022173 k( 101) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0022173 k( 102) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0022173 k( 103) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0022173 k( 104) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0022173 k( 105) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0022173 k( 106) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0022173 k( 107) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022173 k( 108) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0022173 k( 109) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0022173 k( 110) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0022173 k( 111) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0022173 k( 112) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0022173 k( 113) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0022173 k( 114) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022173 k( 115) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0022173 k( 116) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0022173 k( 117) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0022173 k( 118) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0022173 k( 119) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0022173 k( 120) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0022173 k( 121) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022173 k( 122) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0022173 k( 123) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0022173 k( 124) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0022173 k( 125) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0022173 k( 126) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0022173 k( 127) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0022173 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022173 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022173 k( 130) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0022173 k( 131) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022173 k( 132) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022173 k( 133) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022173 k( 134) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0022173 k( 135) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022173 k( 136) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0022173 k( 137) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022173 k( 138) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022173 k( 139) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022173 k( 140) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0022173 k( 141) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022173 k( 142) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0022173 k( 143) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022173 k( 144) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022173 k( 145) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022173 k( 146) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0022173 k( 147) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022173 k( 148) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0022173 k( 149) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022173 k( 150) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022173 k( 151) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022173 k( 152) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0022173 k( 153) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022173 k( 154) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0022173 k( 155) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022173 k( 156) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022173 k( 157) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022173 k( 158) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0022173 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022173 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022173 k( 161) = ( 0.0104228 0.5042831 -0.0104228), wk = 0.0022173 k( 162) = ( 0.0208456 0.5085662 -0.0208456), wk = 0.0022173 k( 163) = ( 0.0312684 0.5128493 -0.0312684), wk = 0.0022173 k( 164) = ( 0.0416912 0.5171323 -0.0416912), wk = 0.0022173 k( 165) = ( 0.0521140 0.5214154 -0.0521140), wk = 0.0022173 k( 166) = ( 0.0625368 0.5256985 -0.0625368), wk = 0.0022173 k( 167) = ( 0.0729596 0.5299816 -0.0729596), wk = 0.0022173 k( 168) = ( 0.0833824 0.5342647 -0.0833824), wk = 0.0022173 k( 169) = ( 0.0938052 0.5385477 -0.0938052), wk = 0.0022173 k( 170) = ( 0.1042280 0.5428308 -0.1042280), wk = 0.0022173 k( 171) = ( 0.1146508 0.5471139 -0.1146508), wk = 0.0022173 k( 172) = ( 0.1250736 0.5513970 -0.1250736), wk = 0.0022173 k( 173) = ( 0.1354964 0.5556801 -0.1354964), wk = 0.0022173 k( 174) = ( 0.1459192 0.5599632 -0.1459192), wk = 0.0022173 k( 175) = ( 0.1563420 0.5642462 -0.1563420), wk = 0.0022173 k( 176) = ( 0.1667648 0.5685293 -0.1667648), wk = 0.0022173 k( 177) = ( 0.1771876 0.5728124 -0.1771876), wk = 0.0022173 k( 178) = ( 0.1876104 0.5770955 -0.1876104), wk = 0.0022173 k( 179) = ( 0.1980332 0.5813786 -0.1980332), wk = 0.0022173 k( 180) = ( 0.2084560 0.5856617 -0.2084560), wk = 0.0022173 k( 181) = ( 0.2188788 0.5899447 -0.2188788), wk = 0.0022173 k( 182) = ( 0.2293016 0.5942278 -0.2293016), wk = 0.0022173 k( 183) = ( 0.2397244 0.5985109 -0.2397244), wk = 0.0022173 k( 184) = ( 0.2501472 0.6027940 -0.2501472), wk = 0.0022173 k( 185) = ( 0.2605700 0.6070771 -0.2605700), wk = 0.0022173 k( 186) = ( 0.2709928 0.6113602 -0.2709928), wk = 0.0022173 k( 187) = ( 0.2814156 0.6156432 -0.2814156), wk = 0.0022173 k( 188) = ( 0.2918384 0.6199263 -0.2918384), wk = 0.0022173 k( 189) = ( 0.3022612 0.6242094 -0.3022612), wk = 0.0022173 k( 190) = ( 0.3126840 0.6284925 -0.3126840), wk = 0.0022173 k( 191) = ( 0.3231068 0.6327756 -0.3231068), wk = 0.0022173 k( 192) = ( 0.3335296 0.6370586 -0.3335296), wk = 0.0022173 k( 193) = ( 0.3439524 0.6413417 -0.3439524), wk = 0.0022173 k( 194) = ( 0.3543752 0.6456248 -0.3543752), wk = 0.0022173 k( 195) = ( 0.3543752 0.6456248 -0.3543752), wk = 0.0022173 k( 196) = ( 0.3599761 0.6400239 -0.3599761), wk = 0.0022173 k( 197) = ( 0.3655771 0.6344229 -0.3655771), wk = 0.0022173 k( 198) = ( 0.3711780 0.6288220 -0.3711780), wk = 0.0022173 k( 199) = ( 0.3767790 0.6232210 -0.3767790), wk = 0.0022173 k( 200) = ( 0.3823800 0.6176200 -0.3823800), wk = 0.0022173 k( 201) = ( 0.3879809 0.6120191 -0.3879809), wk = 0.0022173 k( 202) = ( 0.3935819 0.6064181 -0.3935819), wk = 0.0022173 k( 203) = ( 0.3991828 0.6008172 -0.3991828), wk = 0.0022173 k( 204) = ( 0.4047838 0.5952162 -0.4047838), wk = 0.0022173 k( 205) = ( 0.4103847 0.5896153 -0.4103847), wk = 0.0022173 k( 206) = ( 0.4159857 0.5840143 -0.4159857), wk = 0.0022173 k( 207) = ( 0.4215866 0.5784134 -0.4215866), wk = 0.0022173 k( 208) = ( 0.4271876 0.5728124 -0.4271876), wk = 0.0022173 k( 209) = ( 0.4327885 0.5672115 -0.4327885), wk = 0.0022173 k( 210) = ( 0.4383895 0.5616105 -0.4383895), wk = 0.0022173 k( 211) = ( 0.4439904 0.5560095 -0.4439904), wk = 0.0022173 k( 212) = ( 0.4495914 0.5504086 -0.4495914), wk = 0.0022173 k( 213) = ( 0.4551924 0.5448076 -0.4551924), wk = 0.0022173 k( 214) = ( 0.4607933 0.5392067 -0.4607933), wk = 0.0022173 k( 215) = ( 0.4663943 0.5336057 -0.4663943), wk = 0.0022173 k( 216) = ( 0.4719952 0.5280048 -0.4719952), wk = 0.0022173 k( 217) = ( 0.4775962 0.5224038 -0.4775962), wk = 0.0022173 k( 218) = ( 0.4831971 0.5168029 -0.4831971), wk = 0.0022173 k( 219) = ( 0.4887981 0.5112019 -0.4887981), wk = 0.0022173 k( 220) = ( 0.4943991 0.5056010 -0.4943990), wk = 0.0022173 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022173 k( 222) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022173 k( 223) = ( 0.4910714 0.4910714 -0.4910714), wk = 0.0022173 k( 224) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0022173 k( 225) = ( 0.4732143 0.4732143 -0.4732143), wk = 0.0022173 k( 226) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0022173 k( 227) = ( 0.4553571 0.4553571 -0.4553571), wk = 0.0022173 k( 228) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0022173 k( 229) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022173 k( 230) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0022173 k( 231) = ( 0.4196429 0.4196429 -0.4196429), wk = 0.0022173 k( 232) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0022173 k( 233) = ( 0.4017857 0.4017857 -0.4017857), wk = 0.0022173 k( 234) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0022173 k( 235) = ( 0.3839286 0.3839286 -0.3839286), wk = 0.0022173 k( 236) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022173 k( 237) = ( 0.3660714 0.3660714 -0.3660714), wk = 0.0022173 k( 238) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0022173 k( 239) = ( 0.3482143 0.3482143 -0.3482143), wk = 0.0022173 k( 240) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0022173 k( 241) = ( 0.3303571 0.3303571 -0.3303571), wk = 0.0022173 k( 242) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0022173 k( 243) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022173 k( 244) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0022173 k( 245) = ( 0.2946429 0.2946429 -0.2946429), wk = 0.0022173 k( 246) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0022173 k( 247) = ( 0.2767857 0.2767857 -0.2767857), wk = 0.0022173 k( 248) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0022173 k( 249) = ( 0.2589286 0.2589286 -0.2589286), wk = 0.0022173 k( 250) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022173 k( 251) = ( 0.2410714 0.2410714 -0.2410714), wk = 0.0022173 k( 252) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0022173 k( 253) = ( 0.2232143 0.2232143 -0.2232143), wk = 0.0022173 k( 254) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0022173 k( 255) = ( 0.2053571 0.2053571 -0.2053571), wk = 0.0022173 k( 256) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0022173 k( 257) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022173 k( 258) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0022173 k( 259) = ( 0.1696429 0.1696429 -0.1696429), wk = 0.0022173 k( 260) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0022173 k( 261) = ( 0.1517857 0.1517857 -0.1517857), wk = 0.0022173 k( 262) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0022173 k( 263) = ( 0.1339286 0.1339286 -0.1339286), wk = 0.0022173 k( 264) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022173 k( 265) = ( 0.1160714 0.1160714 -0.1160714), wk = 0.0022173 k( 266) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0022173 k( 267) = ( 0.0982143 0.0982143 -0.0982143), wk = 0.0022173 k( 268) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0022173 k( 269) = ( 0.0803571 0.0803571 -0.0803571), wk = 0.0022173 k( 270) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0022173 k( 271) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022173 k( 272) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0022173 k( 273) = ( 0.0446429 0.0446429 -0.0446429), wk = 0.0022173 k( 274) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0022173 k( 275) = ( 0.0267857 0.0267857 -0.0267857), wk = 0.0022173 k( 276) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0022173 k( 277) = ( 0.0089286 0.0089286 -0.0089286), wk = 0.0022173 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022173 k( 280) = ( 0.0084822 -0.0084822 0.0084822), wk = 0.0022173 k( 281) = ( 0.0169644 -0.0169644 0.0169644), wk = 0.0022173 k( 282) = ( 0.0254466 -0.0254466 0.0254466), wk = 0.0022173 k( 283) = ( 0.0339288 -0.0339288 0.0339288), wk = 0.0022173 k( 284) = ( 0.0424110 -0.0424110 0.0424110), wk = 0.0022173 k( 285) = ( 0.0508932 -0.0508932 0.0508932), wk = 0.0022173 k( 286) = ( 0.0593754 -0.0593754 0.0593754), wk = 0.0022173 k( 287) = ( 0.0678577 -0.0678576 0.0678576), wk = 0.0022173 k( 288) = ( 0.0763399 -0.0763398 0.0763399), wk = 0.0022173 k( 289) = ( 0.0848221 -0.0848221 0.0848221), wk = 0.0022173 k( 290) = ( 0.0933043 -0.0933043 0.0933043), wk = 0.0022173 k( 291) = ( 0.1017865 -0.1017865 0.1017865), wk = 0.0022173 k( 292) = ( 0.1102687 -0.1102687 0.1102687), wk = 0.0022173 k( 293) = ( 0.1187509 -0.1187509 0.1187509), wk = 0.0022173 k( 294) = ( 0.1272331 -0.1272331 0.1272331), wk = 0.0022173 k( 295) = ( 0.1357153 -0.1357153 0.1357153), wk = 0.0022173 k( 296) = ( 0.1441975 -0.1441975 0.1441975), wk = 0.0022173 k( 297) = ( 0.1526797 -0.1526797 0.1526797), wk = 0.0022173 k( 298) = ( 0.1611619 -0.1611619 0.1611619), wk = 0.0022173 k( 299) = ( 0.1696441 -0.1696441 0.1696441), wk = 0.0022173 k( 300) = ( 0.1781263 -0.1781263 0.1781263), wk = 0.0022173 k( 301) = ( 0.1866085 -0.1866085 0.1866085), wk = 0.0022173 k( 302) = ( 0.1950907 -0.1950907 0.1950907), wk = 0.0022173 k( 303) = ( 0.2035729 -0.2035729 0.2035729), wk = 0.0022173 k( 304) = ( 0.2120551 -0.2120551 0.2120551), wk = 0.0022173 k( 305) = ( 0.2205373 -0.2205373 0.2205373), wk = 0.0022173 k( 306) = ( 0.2290196 -0.2290196 0.2290196), wk = 0.0022173 k( 307) = ( 0.2375018 -0.2375018 0.2375018), wk = 0.0022173 k( 308) = ( 0.2459840 -0.2459840 0.2459840), wk = 0.0022173 k( 309) = ( 0.2544662 -0.2544662 0.2544662), wk = 0.0022173 k( 310) = ( 0.2629484 -0.2629484 0.2629484), wk = 0.0022173 k( 311) = ( 0.2714306 -0.2714306 0.2714306), wk = 0.0022173 k( 312) = ( 0.2799128 -0.2799128 0.2799128), wk = 0.0022173 k( 313) = ( 0.2883950 -0.2883950 0.2883950), wk = 0.0022173 k( 314) = ( 0.2968772 -0.2968772 0.2968772), wk = 0.0022173 k( 315) = ( 0.3053594 -0.3053594 0.3053594), wk = 0.0022173 k( 316) = ( 0.3138416 -0.3138416 0.3138416), wk = 0.0022173 k( 317) = ( 0.3223238 -0.3223238 0.3223238), wk = 0.0022173 k( 318) = ( 0.3308060 -0.3308060 0.3308060), wk = 0.0022173 k( 319) = ( 0.3392882 -0.3392882 0.3392882), wk = 0.0022173 k( 320) = ( 0.3477704 -0.3477704 0.3477704), wk = 0.0022173 k( 321) = ( 0.3562526 -0.3562526 0.3562526), wk = 0.0022173 k( 322) = ( 0.3647348 -0.3647348 0.3647348), wk = 0.0022173 k( 323) = ( 0.3732171 -0.3732171 0.3732171), wk = 0.0022173 k( 324) = ( 0.3816993 -0.3816993 0.3816993), wk = 0.0022173 k( 325) = ( 0.3901815 -0.3901815 0.3901815), wk = 0.0022173 k( 326) = ( 0.3986637 -0.3986637 0.3986637), wk = 0.0022173 k( 327) = ( 0.4071459 -0.4071459 0.4071459), wk = 0.0022173 k( 328) = ( 0.4156281 -0.4156281 0.4156281), wk = 0.0022173 k( 329) = ( 0.4241103 -0.4241103 0.4241103), wk = 0.0022173 k( 330) = ( 0.4325925 -0.4325925 0.4325925), wk = 0.0022173 k( 331) = ( 0.4410747 -0.4410747 0.4410747), wk = 0.0022173 k( 332) = ( 0.4495569 -0.4495569 0.4495569), wk = 0.0022173 k( 333) = ( 0.4580391 -0.4580391 0.4580391), wk = 0.0022173 k( 334) = ( 0.4665213 -0.4665213 0.4665213), wk = 0.0022173 k( 335) = ( 0.4750035 -0.4750035 0.4750035), wk = 0.0022173 k( 336) = ( 0.4750035 -0.4750035 0.4750035), wk = 0.0022173 k( 337) = ( 0.4756445 -0.4628239 0.4628239), wk = 0.0022173 k( 338) = ( 0.4762854 -0.4506444 0.4506444), wk = 0.0022173 k( 339) = ( 0.4769263 -0.4384648 0.4384648), wk = 0.0022173 k( 340) = ( 0.4775673 -0.4262852 0.4262852), wk = 0.0022173 k( 341) = ( 0.4782082 -0.4141056 0.4141056), wk = 0.0022173 k( 342) = ( 0.4788491 -0.4019261 0.4019261), wk = 0.0022173 k( 343) = ( 0.4794901 -0.3897465 0.3897465), wk = 0.0022173 k( 344) = ( 0.4801310 -0.3775669 0.3775669), wk = 0.0022173 k( 345) = ( 0.4807719 -0.3653873 0.3653873), wk = 0.0022173 k( 346) = ( 0.4814129 -0.3532077 0.3532077), wk = 0.0022173 k( 347) = ( 0.4820538 -0.3410282 0.3410282), wk = 0.0022173 k( 348) = ( 0.4826948 -0.3288486 0.3288486), wk = 0.0022173 k( 349) = ( 0.4833357 -0.3166690 0.3166690), wk = 0.0022173 k( 350) = ( 0.4839766 -0.3044894 0.3044894), wk = 0.0022173 k( 351) = ( 0.4846176 -0.2923099 0.2923099), wk = 0.0022173 k( 352) = ( 0.4852585 -0.2801303 0.2801303), wk = 0.0022173 k( 353) = ( 0.4858994 -0.2679507 0.2679507), wk = 0.0022173 k( 354) = ( 0.4865404 -0.2557711 0.2557711), wk = 0.0022173 k( 355) = ( 0.4871813 -0.2435915 0.2435915), wk = 0.0022173 k( 356) = ( 0.4878222 -0.2314120 0.2314120), wk = 0.0022173 k( 357) = ( 0.4884632 -0.2192324 0.2192324), wk = 0.0022173 k( 358) = ( 0.4891041 -0.2070528 0.2070528), wk = 0.0022173 k( 359) = ( 0.4897450 -0.1948732 0.1948732), wk = 0.0022173 k( 360) = ( 0.4903860 -0.1826937 0.1826937), wk = 0.0022173 k( 361) = ( 0.4910269 -0.1705141 0.1705141), wk = 0.0022173 k( 362) = ( 0.4916678 -0.1583345 0.1583345), wk = 0.0022173 k( 363) = ( 0.4923088 -0.1461549 0.1461549), wk = 0.0022173 k( 364) = ( 0.4929497 -0.1339753 0.1339753), wk = 0.0022173 k( 365) = ( 0.4935907 -0.1217958 0.1217958), wk = 0.0022173 k( 366) = ( 0.4942316 -0.1096162 0.1096162), wk = 0.0022173 k( 367) = ( 0.4948725 -0.0974366 0.0974366), wk = 0.0022173 k( 368) = ( 0.4955135 -0.0852570 0.0852570), wk = 0.0022173 k( 369) = ( 0.4961544 -0.0730775 0.0730775), wk = 0.0022173 k( 370) = ( 0.4967953 -0.0608979 0.0608979), wk = 0.0022173 k( 371) = ( 0.4974363 -0.0487183 0.0487183), wk = 0.0022173 k( 372) = ( 0.4980772 -0.0365387 0.0365387), wk = 0.0022173 k( 373) = ( 0.4987181 -0.0243592 0.0243592), wk = 0.0022173 k( 374) = ( 0.4993591 -0.0121796 0.0121796), wk = 0.0022173 k( 375) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022173 k( 376) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022173 k( 377) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0022173 k( 378) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0022173 k( 379) = ( 0.4829545 0.0170454 0.0170455), wk = 0.0022173 k( 380) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0022173 k( 381) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0022173 k( 382) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0022173 k( 383) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0022173 k( 384) = ( 0.4545455 0.0454545 0.0454545), wk = 0.0022173 k( 385) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0022173 k( 386) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0022173 k( 387) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0022173 k( 388) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0022173 k( 389) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0022173 k( 390) = ( 0.4204545 0.0795455 0.0795454), wk = 0.0022173 k( 391) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0022173 k( 392) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0022173 k( 393) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0022173 k( 394) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0022173 k( 395) = ( 0.3920455 0.1079545 0.1079545), wk = 0.0022173 k( 396) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0022173 k( 397) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0022173 k( 398) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0022173 k( 399) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0022173 k( 400) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0022173 k( 401) = ( 0.3579545 0.1420454 0.1420454), wk = 0.0022173 k( 402) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0022173 k( 403) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0022173 k( 404) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0022173 k( 405) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0022173 k( 406) = ( 0.3295455 0.1704545 0.1704545), wk = 0.0022173 k( 407) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0022173 k( 408) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0022173 k( 409) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0022173 k( 410) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0022173 k( 411) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0022173 k( 412) = ( 0.2954545 0.2045454 0.2045454), wk = 0.0022173 k( 413) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0022173 k( 414) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0022173 k( 415) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0022173 k( 416) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0022173 k( 417) = ( 0.2670455 0.2329545 0.2329545), wk = 0.0022173 k( 418) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0022173 k( 419) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0022173 k( 420) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022173 k( 421) = ( 0.3293787 -0.3293787 0.6206283), wk = 0.0022173 k( 422) = ( 0.3349797 -0.3349797 0.6150274), wk = 0.0022173 k( 423) = ( 0.3405806 -0.3405806 0.6094264), wk = 0.0022173 k( 424) = ( 0.3461816 -0.3461816 0.6038255), wk = 0.0022173 k( 425) = ( 0.3517825 -0.3517825 0.5982245), wk = 0.0022173 k( 426) = ( 0.3573835 -0.3573835 0.5926236), wk = 0.0022173 k( 427) = ( 0.3629844 -0.3629844 0.5870226), wk = 0.0022173 k( 428) = ( 0.3685854 -0.3685854 0.5814217), wk = 0.0022173 k( 429) = ( 0.3741863 -0.3741863 0.5758207), wk = 0.0022173 k( 430) = ( 0.3797873 -0.3797873 0.5702197), wk = 0.0022173 k( 431) = ( 0.3853882 -0.3853882 0.5646188), wk = 0.0022173 k( 432) = ( 0.3909892 -0.3909892 0.5590178), wk = 0.0022173 k( 433) = ( 0.3965902 -0.3965902 0.5534169), wk = 0.0022173 k( 434) = ( 0.4021911 -0.4021911 0.5478159), wk = 0.0022173 k( 435) = ( 0.4077921 -0.4077921 0.5422150), wk = 0.0022173 k( 436) = ( 0.4133930 -0.4133930 0.5366140), wk = 0.0022173 k( 437) = ( 0.4189940 -0.4189940 0.5310131), wk = 0.0022173 k( 438) = ( 0.4245949 -0.4245949 0.5254121), wk = 0.0022173 k( 439) = ( 0.4301959 -0.4301959 0.5198112), wk = 0.0022173 k( 440) = ( 0.4357968 -0.4357968 0.5142102), wk = 0.0022173 k( 441) = ( 0.4413978 -0.4413978 0.5086093), wk = 0.0022173 k( 442) = ( 0.4469988 -0.4469987 0.5030083), wk = 0.0022173 k( 443) = ( 0.4525997 -0.4525997 0.4974073), wk = 0.0022173 k( 444) = ( 0.4582007 -0.4582007 0.4918064), wk = 0.0022173 k( 445) = ( 0.4638016 -0.4638016 0.4862054), wk = 0.0022173 k( 446) = ( 0.4694026 -0.4694026 0.4806045), wk = 0.0022173 k( 447) = ( 0.4750035 -0.4750035 0.4750035), wk = 0.0022173 k( 448) = ( 0.5249965 0.4750035 -0.4750035), wk = 0.0022173 k( 449) = ( 0.5166643 0.4833357 -0.4833357), wk = 0.0022173 k( 450) = ( 0.5083322 0.4916678 -0.4916678), wk = 0.0022173 k( 451) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022173 Dense grid: 36793 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 27661 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 148, 34) NL pseudopotentials 0.06 Mb ( 74, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 767) G-vector shells 0.01 Mb ( 693) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 148, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.2 secs Computing kpt #: 2 total cpu time spent up to now is 40.4 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 42.3 secs Computing kpt #: 5 total cpu time spent up to now is 43.3 secs Computing kpt #: 6 total cpu time spent up to now is 44.6 secs Computing kpt #: 7 total cpu time spent up to now is 45.7 secs Computing kpt #: 8 total cpu time spent up to now is 46.6 secs Computing kpt #: 9 total cpu time spent up to now is 47.5 secs Computing kpt #: 10 total cpu time spent up to now is 48.5 secs Computing kpt #: 11 total cpu time spent up to now is 49.7 secs Computing kpt #: 12 total cpu time spent up to now is 50.7 secs Computing kpt #: 13 total cpu time spent up to now is 51.8 secs Computing kpt #: 14 total cpu time spent up to now is 53.0 secs Computing kpt #: 15 total cpu time spent up to now is 54.3 secs Computing kpt #: 16 total cpu time spent up to now is 55.6 secs Computing kpt #: 17 total cpu time spent up to now is 56.6 secs Computing kpt #: 18 total cpu time spent up to now is 57.8 secs Computing kpt #: 19 total cpu time spent up to now is 59.0 secs Computing kpt #: 20 total cpu time spent up to now is 60.3 secs Computing kpt #: 21 total cpu time spent up to now is 61.8 secs Computing kpt #: 22 total cpu time spent up to now is 62.9 secs Computing kpt #: 23 total cpu time spent up to now is 63.9 secs Computing kpt #: 24 total cpu time spent up to now is 65.0 secs Computing kpt #: 25 total cpu time spent up to now is 65.9 secs Computing kpt #: 26 total cpu time spent up to now is 66.8 secs Computing kpt #: 27 total cpu time spent up to now is 67.7 secs Computing kpt #: 28 total cpu time spent up to now is 68.7 secs Computing kpt #: 29 total cpu time spent up to now is 69.5 secs Computing kpt #: 30 total cpu time spent up to now is 70.3 secs Computing kpt #: 31 total cpu time spent up to now is 71.1 secs Computing kpt #: 32 total cpu time spent up to now is 71.8 secs Computing kpt #: 33 total cpu time spent up to now is 72.5 secs Computing kpt #: 34 total cpu time spent up to now is 73.2 secs Computing kpt #: 35 total cpu time spent up to now is 74.1 secs Computing kpt #: 36 total cpu time spent up to now is 75.0 secs Computing kpt #: 37 total cpu time spent up to now is 75.8 secs Computing kpt #: 38 total cpu time spent up to now is 76.6 secs Computing kpt #: 39 total cpu time spent up to now is 77.2 secs Computing kpt #: 40 total cpu time spent up to now is 78.0 secs Computing kpt #: 41 total cpu time spent up to now is 78.7 secs Computing kpt #: 42 total cpu time spent up to now is 79.6 secs Computing kpt #: 43 total cpu time spent up to now is 80.4 secs Computing kpt #: 44 total cpu time spent up to now is 81.2 secs Computing kpt #: 45 total cpu time spent up to now is 81.8 secs Computing kpt #: 46 total cpu time spent up to now is 82.5 secs Computing kpt #: 47 total cpu time spent up to now is 83.3 secs Computing kpt #: 48 total cpu time spent up to now is 83.9 secs Computing kpt #: 49 total cpu time spent up to now is 85.0 secs Computing kpt #: 50 total cpu time spent up to now is 85.7 secs Computing kpt #: 51 total cpu time spent up to now is 86.8 secs Computing kpt #: 52 total cpu time spent up to now is 87.6 secs Computing kpt #: 53 total cpu time spent up to now is 88.5 secs Computing kpt #: 54 total cpu time spent up to now is 89.3 secs Computing kpt #: 55 total cpu time spent up to now is 90.1 secs Computing kpt #: 56 total cpu time spent up to now is 91.0 secs Computing kpt #: 57 total cpu time spent up to now is 91.8 secs Computing kpt #: 58 total cpu time spent up to now is 92.7 secs Computing kpt #: 59 total cpu time spent up to now is 93.6 secs Computing kpt #: 60 total cpu time spent up to now is 94.3 secs Computing kpt #: 61 total cpu time spent up to now is 95.1 secs Computing kpt #: 62 total cpu time spent up to now is 95.8 secs Computing kpt #: 63 total cpu time spent up to now is 96.5 secs Computing kpt #: 64 total cpu time spent up to now is 97.4 secs Computing kpt #: 65 total cpu time spent up to now is 98.2 secs Computing kpt #: 66 total cpu time spent up to now is 99.0 secs Computing kpt #: 67 total cpu time spent up to now is 99.9 secs Computing kpt #: 68 total cpu time spent up to now is 100.8 secs Computing kpt #: 69 total cpu time spent up to now is 101.6 secs Computing kpt #: 70 total cpu time spent up to now is 102.4 secs Computing kpt #: 71 total cpu time spent up to now is 103.2 secs Computing kpt #: 72 total cpu time spent up to now is 104.1 secs Computing kpt #: 73 total cpu time spent up to now is 105.1 secs Computing kpt #: 74 total cpu time spent up to now is 105.9 secs Computing kpt #: 75 total cpu time spent up to now is 106.8 secs Computing kpt #: 76 total cpu time spent up to now is 107.7 secs Computing kpt #: 77 total cpu time spent up to now is 108.5 secs Computing kpt #: 78 total cpu time spent up to now is 109.4 secs Computing kpt #: 79 total cpu time spent up to now is 110.3 secs Computing kpt #: 80 total cpu time spent up to now is 111.2 secs Computing kpt #: 81 total cpu time spent up to now is 112.1 secs Computing kpt #: 82 total cpu time spent up to now is 112.9 secs Computing kpt #: 83 total cpu time spent up to now is 113.8 secs Computing kpt #: 84 total cpu time spent up to now is 114.7 secs Computing kpt #: 85 total cpu time spent up to now is 115.6 secs Computing kpt #: 86 total cpu time spent up to now is 116.5 secs Computing kpt #: 87 total cpu time spent up to now is 117.4 secs Computing kpt #: 88 total cpu time spent up to now is 118.3 secs Computing kpt #: 89 total cpu time spent up to now is 119.1 secs Computing kpt #: 90 total cpu time spent up to now is 120.0 secs Computing kpt #: 91 total cpu time spent up to now is 120.8 secs Computing kpt #: 92 total cpu time spent up to now is 121.6 secs Computing kpt #: 93 total cpu time spent up to now is 122.3 secs Computing kpt #: 94 total cpu time spent up to now is 123.4 secs Computing kpt #: 95 total cpu time spent up to now is 124.3 secs Computing kpt #: 96 total cpu time spent up to now is 125.0 secs Computing kpt #: 97 total cpu time spent up to now is 125.9 secs Computing kpt #: 98 total cpu time spent up to now is 126.6 secs Computing kpt #: 99 total cpu time spent up to now is 127.3 secs Computing kpt #: 100 total cpu time spent up to now is 128.0 secs Computing kpt #: 101 total cpu time spent up to now is 128.7 secs Computing kpt #: 102 total cpu time spent up to now is 129.5 secs Computing kpt #: 103 total cpu time spent up to now is 130.2 secs Computing kpt #: 104 total cpu time spent up to now is 130.8 secs Computing kpt #: 105 total cpu time spent up to now is 131.5 secs Computing kpt #: 106 total cpu time spent up to now is 132.3 secs Computing kpt #: 107 total cpu time spent up to now is 133.0 secs Computing kpt #: 108 total cpu time spent up to now is 133.7 secs Computing kpt #: 109 total cpu time spent up to now is 134.6 secs Computing kpt #: 110 total cpu time spent up to now is 135.2 secs Computing kpt #: 111 total cpu time spent up to now is 135.9 secs Computing kpt #: 112 total cpu time spent up to now is 136.5 secs Computing kpt #: 113 total cpu time spent up to now is 137.3 secs Computing kpt #: 114 total cpu time spent up to now is 138.0 secs Computing kpt #: 115 total cpu time spent up to now is 138.7 secs Computing kpt #: 116 total cpu time spent up to now is 139.3 secs Computing kpt #: 117 total cpu time spent up to now is 140.1 secs Computing kpt #: 118 total cpu time spent up to now is 140.7 secs Computing kpt #: 119 total cpu time spent up to now is 141.4 secs Computing kpt #: 120 total cpu time spent up to now is 142.0 secs Computing kpt #: 121 total cpu time spent up to now is 142.7 secs Computing kpt #: 122 total cpu time spent up to now is 143.3 secs Computing kpt #: 123 total cpu time spent up to now is 143.9 secs Computing kpt #: 124 total cpu time spent up to now is 144.6 secs Computing kpt #: 125 total cpu time spent up to now is 145.2 secs Computing kpt #: 126 total cpu time spent up to now is 145.9 secs Computing kpt #: 127 total cpu time spent up to now is 146.6 secs Computing kpt #: 128 total cpu time spent up to now is 147.3 secs Computing kpt #: 129 total cpu time spent up to now is 147.9 secs Computing kpt #: 130 total cpu time spent up to now is 148.5 secs Computing kpt #: 131 total cpu time spent up to now is 149.2 secs Computing kpt #: 132 total cpu time spent up to now is 149.8 secs Computing kpt #: 133 total cpu time spent up to now is 150.5 secs Computing kpt #: 134 total cpu time spent up to now is 151.2 secs Computing kpt #: 135 total cpu time spent up to now is 152.0 secs Computing kpt #: 136 total cpu time spent up to now is 152.8 secs Computing kpt #: 137 total cpu time spent up to now is 153.8 secs Computing kpt #: 138 total cpu time spent up to now is 154.7 secs Computing kpt #: 139 total cpu time spent up to now is 155.6 secs Computing kpt #: 140 total cpu time spent up to now is 156.3 secs Computing kpt #: 141 total cpu time spent up to now is 157.1 secs Computing kpt #: 142 total cpu time spent up to now is 157.9 secs Computing kpt #: 143 total cpu time spent up to now is 158.8 secs Computing kpt #: 144 total cpu time spent up to now is 159.7 secs Computing kpt #: 145 total cpu time spent up to now is 160.4 secs Computing kpt #: 146 total cpu time spent up to now is 161.2 secs Computing kpt #: 147 total cpu time spent up to now is 162.0 secs Computing kpt #: 148 total cpu time spent up to now is 162.8 secs Computing kpt #: 149 total cpu time spent up to now is 163.6 secs Computing kpt #: 150 total cpu time spent up to now is 164.4 secs Computing kpt #: 151 total cpu time spent up to now is 165.2 secs Computing kpt #: 152 total cpu time spent up to now is 165.9 secs Computing kpt #: 153 total cpu time spent up to now is 166.6 secs Computing kpt #: 154 total cpu time spent up to now is 167.3 secs Computing kpt #: 155 total cpu time spent up to now is 168.0 secs Computing kpt #: 156 total cpu time spent up to now is 168.9 secs Computing kpt #: 157 total cpu time spent up to now is 169.9 secs Computing kpt #: 158 total cpu time spent up to now is 170.6 secs Computing kpt #: 159 total cpu time spent up to now is 171.3 secs Computing kpt #: 160 total cpu time spent up to now is 172.0 secs Computing kpt #: 161 total cpu time spent up to now is 172.6 secs Computing kpt #: 162 total cpu time spent up to now is 173.4 secs Computing kpt #: 163 total cpu time spent up to now is 174.1 secs Computing kpt #: 164 total cpu time spent up to now is 174.7 secs Computing kpt #: 165 total cpu time spent up to now is 175.4 secs Computing kpt #: 166 total cpu time spent up to now is 176.1 secs Computing kpt #: 167 total cpu time spent up to now is 176.9 secs Computing kpt #: 168 total cpu time spent up to now is 177.6 secs Computing kpt #: 169 total cpu time spent up to now is 178.4 secs Computing kpt #: 170 total cpu time spent up to now is 179.1 secs Computing kpt #: 171 total cpu time spent up to now is 179.8 secs Computing kpt #: 172 total cpu time spent up to now is 180.5 secs Computing kpt #: 173 total cpu time spent up to now is 181.2 secs Computing kpt #: 174 total cpu time spent up to now is 181.9 secs Computing kpt #: 175 total cpu time spent up to now is 182.8 secs Computing kpt #: 176 total cpu time spent up to now is 183.5 secs Computing kpt #: 177 total cpu time spent up to now is 184.2 secs Computing kpt #: 178 total cpu time spent up to now is 184.9 secs Computing kpt #: 179 total cpu time spent up to now is 185.7 secs Computing kpt #: 180 total cpu time spent up to now is 186.4 secs Computing kpt #: 181 total cpu time spent up to now is 187.1 secs Computing kpt #: 182 total cpu time spent up to now is 188.1 secs Computing kpt #: 183 total cpu time spent up to now is 189.1 secs Computing kpt #: 184 total cpu time spent up to now is 190.1 secs Computing kpt #: 185 total cpu time spent up to now is 191.1 secs Computing kpt #: 186 total cpu time spent up to now is 191.9 secs Computing kpt #: 187 total cpu time spent up to now is 192.8 secs Computing kpt #: 188 total cpu time spent up to now is 193.8 secs Computing kpt #: 189 total cpu time spent up to now is 194.8 secs Computing kpt #: 190 total cpu time spent up to now is 195.7 secs Computing kpt #: 191 total cpu time spent up to now is 196.5 secs Computing kpt #: 192 total cpu time spent up to now is 197.2 secs Computing kpt #: 193 total cpu time spent up to now is 198.0 secs Computing kpt #: 194 total cpu time spent up to now is 198.8 secs Computing kpt #: 195 total cpu time spent up to now is 199.6 secs Computing kpt #: 196 total cpu time spent up to now is 200.5 secs Computing kpt #: 197 total cpu time spent up to now is 201.3 secs Computing kpt #: 198 total cpu time spent up to now is 202.1 secs Computing kpt #: 199 total cpu time spent up to now is 202.9 secs Computing kpt #: 200 total cpu time spent up to now is 203.6 secs Computing kpt #: 201 total cpu time spent up to now is 204.5 secs Computing kpt #: 202 total cpu time spent up to now is 205.3 secs Computing kpt #: 203 total cpu time spent up to now is 206.1 secs Computing kpt #: 204 total cpu time spent up to now is 207.0 secs Computing kpt #: 205 total cpu time spent up to now is 207.7 secs Computing kpt #: 206 total cpu time spent up to now is 208.5 secs Computing kpt #: 207 total cpu time spent up to now is 209.2 secs Computing kpt #: 208 total cpu time spent up to now is 209.9 secs Computing kpt #: 209 total cpu time spent up to now is 210.7 secs Computing kpt #: 210 total cpu time spent up to now is 211.3 secs Computing kpt #: 211 total cpu time spent up to now is 212.0 secs Computing kpt #: 212 total cpu time spent up to now is 212.7 secs Computing kpt #: 213 total cpu time spent up to now is 213.4 secs Computing kpt #: 214 total cpu time spent up to now is 214.1 secs Computing kpt #: 215 total cpu time spent up to now is 214.7 secs Computing kpt #: 216 total cpu time spent up to now is 215.4 secs Computing kpt #: 217 total cpu time spent up to now is 216.0 secs Computing kpt #: 218 total cpu time spent up to now is 216.6 secs Computing kpt #: 219 total cpu time spent up to now is 217.2 secs Computing kpt #: 220 total cpu time spent up to now is 217.9 secs Computing kpt #: 221 total cpu time spent up to now is 218.6 secs Computing kpt #: 222 total cpu time spent up to now is 219.2 secs Computing kpt #: 223 total cpu time spent up to now is 219.9 secs Computing kpt #: 224 total cpu time spent up to now is 220.5 secs Computing kpt #: 225 total cpu time spent up to now is 221.2 secs Computing kpt #: 226 total cpu time spent up to now is 221.8 secs Computing kpt #: 227 total cpu time spent up to now is 222.4 secs Computing kpt #: 228 total cpu time spent up to now is 223.0 secs Computing kpt #: 229 total cpu time spent up to now is 223.7 secs Computing kpt #: 230 total cpu time spent up to now is 224.4 secs Computing kpt #: 231 total cpu time spent up to now is 225.1 secs Computing kpt #: 232 total cpu time spent up to now is 225.7 secs Computing kpt #: 233 total cpu time spent up to now is 226.3 secs Computing kpt #: 234 total cpu time spent up to now is 226.9 secs Computing kpt #: 235 total cpu time spent up to now is 227.5 secs Computing kpt #: 236 total cpu time spent up to now is 228.1 secs Computing kpt #: 237 total cpu time spent up to now is 228.7 secs Computing kpt #: 238 total cpu time spent up to now is 229.3 secs Computing kpt #: 239 total cpu time spent up to now is 230.0 secs Computing kpt #: 240 total cpu time spent up to now is 230.6 secs Computing kpt #: 241 total cpu time spent up to now is 231.2 secs Computing kpt #: 242 total cpu time spent up to now is 232.4 secs Computing kpt #: 243 total cpu time spent up to now is 233.0 secs Computing kpt #: 244 total cpu time spent up to now is 233.7 secs Computing kpt #: 245 total cpu time spent up to now is 234.3 secs Computing kpt #: 246 total cpu time spent up to now is 234.9 secs Computing kpt #: 247 total cpu time spent up to now is 235.6 secs Computing kpt #: 248 total cpu time spent up to now is 236.2 secs Computing kpt #: 249 total cpu time spent up to now is 236.8 secs Computing kpt #: 250 total cpu time spent up to now is 237.5 secs Computing kpt #: 251 total cpu time spent up to now is 238.1 secs Computing kpt #: 252 total cpu time spent up to now is 238.7 secs Computing kpt #: 253 total cpu time spent up to now is 239.3 secs Computing kpt #: 254 total cpu time spent up to now is 240.1 secs Computing kpt #: 255 total cpu time spent up to now is 240.7 secs Computing kpt #: 256 total cpu time spent up to now is 241.3 secs Computing kpt #: 257 total cpu time spent up to now is 242.0 secs Computing kpt #: 258 total cpu time spent up to now is 242.7 secs Computing kpt #: 259 total cpu time spent up to now is 243.4 secs Computing kpt #: 260 total cpu time spent up to now is 244.1 secs Computing kpt #: 261 total cpu time spent up to now is 245.1 secs Computing kpt #: 262 total cpu time spent up to now is 245.8 secs Computing kpt #: 263 total cpu time spent up to now is 246.5 secs Computing kpt #: 264 total cpu time spent up to now is 247.2 secs Computing kpt #: 265 total cpu time spent up to now is 248.0 secs Computing kpt #: 266 total cpu time spent up to now is 248.9 secs Computing kpt #: 267 total cpu time spent up to now is 249.6 secs Computing kpt #: 268 total cpu time spent up to now is 250.6 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.5 secs Computing kpt #: 270 total cpu time spent up to now is 253.7 secs Computing kpt #: 271 total cpu time spent up to now is 254.8 secs Computing kpt #: 272 total cpu time spent up to now is 255.8 secs Computing kpt #: 273 total cpu time spent up to now is 256.7 secs Computing kpt #: 274 total cpu time spent up to now is 257.7 secs Computing kpt #: 275 total cpu time spent up to now is 258.6 secs Computing kpt #: 276 total cpu time spent up to now is 259.6 secs Computing kpt #: 277 total cpu time spent up to now is 260.4 secs Computing kpt #: 278 total cpu time spent up to now is 261.4 secs Computing kpt #: 279 total cpu time spent up to now is 262.4 secs Computing kpt #: 280 total cpu time spent up to now is 263.3 secs Computing kpt #: 281 total cpu time spent up to now is 264.2 secs Computing kpt #: 282 total cpu time spent up to now is 265.1 secs Computing kpt #: 283 total cpu time spent up to now is 265.9 secs Computing kpt #: 284 total cpu time spent up to now is 266.8 secs Computing kpt #: 285 total cpu time spent up to now is 267.5 secs Computing kpt #: 286 total cpu time spent up to now is 268.3 secs Computing kpt #: 287 total cpu time spent up to now is 269.3 secs Computing kpt #: 288 total cpu time spent up to now is 270.0 secs Computing kpt #: 289 total cpu time spent up to now is 270.7 secs Computing kpt #: 290 total cpu time spent up to now is 271.5 secs Computing kpt #: 291 total cpu time spent up to now is 272.4 secs Computing kpt #: 292 total cpu time spent up to now is 273.1 secs Computing kpt #: 293 total cpu time spent up to now is 273.9 secs Computing kpt #: 294 total cpu time spent up to now is 274.7 secs Computing kpt #: 295 total cpu time spent up to now is 275.4 secs Computing kpt #: 296 total cpu time spent up to now is 276.1 secs Computing kpt #: 297 total cpu time spent up to now is 276.9 secs Computing kpt #: 298 total cpu time spent up to now is 277.7 secs Computing kpt #: 299 total cpu time spent up to now is 278.6 secs Computing kpt #: 300 total cpu time spent up to now is 279.3 secs Computing kpt #: 301 total cpu time spent up to now is 280.1 secs Computing kpt #: 302 total cpu time spent up to now is 280.9 secs Computing kpt #: 303 total cpu time spent up to now is 281.6 secs Computing kpt #: 304 total cpu time spent up to now is 282.3 secs Computing kpt #: 305 total cpu time spent up to now is 283.0 secs Computing kpt #: 306 total cpu time spent up to now is 283.9 secs Computing kpt #: 307 total cpu time spent up to now is 284.8 secs Computing kpt #: 308 total cpu time spent up to now is 285.6 secs Computing kpt #: 309 total cpu time spent up to now is 286.4 secs Computing kpt #: 310 total cpu time spent up to now is 287.2 secs Computing kpt #: 311 total cpu time spent up to now is 288.0 secs Computing kpt #: 312 total cpu time spent up to now is 288.8 secs Computing kpt #: 313 total cpu time spent up to now is 290.1 secs Computing kpt #: 314 total cpu time spent up to now is 291.0 secs Computing kpt #: 315 total cpu time spent up to now is 291.7 secs Computing kpt #: 316 total cpu time spent up to now is 292.5 secs Computing kpt #: 317 total cpu time spent up to now is 293.2 secs Computing kpt #: 318 total cpu time spent up to now is 293.9 secs Computing kpt #: 319 total cpu time spent up to now is 294.6 secs Computing kpt #: 320 total cpu time spent up to now is 295.4 secs Computing kpt #: 321 total cpu time spent up to now is 296.1 secs Computing kpt #: 322 total cpu time spent up to now is 296.8 secs Computing kpt #: 323 total cpu time spent up to now is 297.5 secs Computing kpt #: 324 total cpu time spent up to now is 298.3 secs Computing kpt #: 325 total cpu time spent up to now is 298.9 secs Computing kpt #: 326 total cpu time spent up to now is 299.6 secs Computing kpt #: 327 total cpu time spent up to now is 300.5 secs Computing kpt #: 328 total cpu time spent up to now is 301.1 secs Computing kpt #: 329 total cpu time spent up to now is 301.8 secs Computing kpt #: 330 total cpu time spent up to now is 302.5 secs Computing kpt #: 331 total cpu time spent up to now is 303.3 secs Computing kpt #: 332 total cpu time spent up to now is 304.1 secs Computing kpt #: 333 total cpu time spent up to now is 304.7 secs Computing kpt #: 334 total cpu time spent up to now is 305.3 secs Computing kpt #: 335 total cpu time spent up to now is 306.0 secs Computing kpt #: 336 total cpu time spent up to now is 306.6 secs Computing kpt #: 337 total cpu time spent up to now is 307.4 secs Computing kpt #: 338 total cpu time spent up to now is 308.2 secs Computing kpt #: 339 total cpu time spent up to now is 308.9 secs Computing kpt #: 340 total cpu time spent up to now is 309.7 secs Computing kpt #: 341 total cpu time spent up to now is 310.4 secs Computing kpt #: 342 total cpu time spent up to now is 311.2 secs Computing kpt #: 343 total cpu time spent up to now is 312.0 secs Computing kpt #: 344 total cpu time spent up to now is 312.9 secs Computing kpt #: 345 total cpu time spent up to now is 313.6 secs Computing kpt #: 346 total cpu time spent up to now is 314.6 secs Computing kpt #: 347 total cpu time spent up to now is 315.3 secs Computing kpt #: 348 total cpu time spent up to now is 316.2 secs Computing kpt #: 349 total cpu time spent up to now is 317.1 secs Computing kpt #: 350 total cpu time spent up to now is 317.9 secs Computing kpt #: 351 total cpu time spent up to now is 318.9 secs Computing kpt #: 352 total cpu time spent up to now is 319.8 secs Computing kpt #: 353 total cpu time spent up to now is 321.1 secs Computing kpt #: 354 total cpu time spent up to now is 322.3 secs Computing kpt #: 355 total cpu time spent up to now is 323.5 secs Computing kpt #: 356 total cpu time spent up to now is 324.7 secs Computing kpt #: 357 total cpu time spent up to now is 325.9 secs Computing kpt #: 358 total cpu time spent up to now is 326.9 secs Computing kpt #: 359 total cpu time spent up to now is 327.7 secs Computing kpt #: 360 total cpu time spent up to now is 328.4 secs Computing kpt #: 361 total cpu time spent up to now is 329.2 secs Computing kpt #: 362 total cpu time spent up to now is 330.0 secs Computing kpt #: 363 total cpu time spent up to now is 330.7 secs Computing kpt #: 364 total cpu time spent up to now is 331.4 secs Computing kpt #: 365 total cpu time spent up to now is 332.3 secs Computing kpt #: 366 total cpu time spent up to now is 333.1 secs Computing kpt #: 367 total cpu time spent up to now is 333.8 secs Computing kpt #: 368 total cpu time spent up to now is 334.5 secs Computing kpt #: 369 total cpu time spent up to now is 335.3 secs Computing kpt #: 370 total cpu time spent up to now is 336.0 secs Computing kpt #: 371 total cpu time spent up to now is 336.8 secs Computing kpt #: 372 total cpu time spent up to now is 337.5 secs Computing kpt #: 373 total cpu time spent up to now is 338.4 secs Computing kpt #: 374 total cpu time spent up to now is 339.1 secs Computing kpt #: 375 total cpu time spent up to now is 339.9 secs Computing kpt #: 376 total cpu time spent up to now is 340.6 secs Computing kpt #: 377 total cpu time spent up to now is 341.3 secs Computing kpt #: 378 total cpu time spent up to now is 342.0 secs Computing kpt #: 379 total cpu time spent up to now is 342.8 secs Computing kpt #: 380 total cpu time spent up to now is 343.7 secs Computing kpt #: 381 total cpu time spent up to now is 344.4 secs Computing kpt #: 382 total cpu time spent up to now is 345.2 secs Computing kpt #: 383 total cpu time spent up to now is 345.9 secs Computing kpt #: 384 total cpu time spent up to now is 346.8 secs Computing kpt #: 385 total cpu time spent up to now is 347.6 secs Computing kpt #: 386 total cpu time spent up to now is 348.5 secs Computing kpt #: 387 total cpu time spent up to now is 349.2 secs Computing kpt #: 388 total cpu time spent up to now is 350.1 secs Computing kpt #: 389 total cpu time spent up to now is 351.0 secs Computing kpt #: 390 total cpu time spent up to now is 351.7 secs Computing kpt #: 391 total cpu time spent up to now is 352.8 secs Computing kpt #: 392 total cpu time spent up to now is 353.8 secs Computing kpt #: 393 total cpu time spent up to now is 354.7 secs Computing kpt #: 394 total cpu time spent up to now is 355.9 secs Computing kpt #: 395 total cpu time spent up to now is 356.9 secs Computing kpt #: 396 total cpu time spent up to now is 357.9 secs Computing kpt #: 397 total cpu time spent up to now is 358.9 secs Computing kpt #: 398 total cpu time spent up to now is 359.8 secs Computing kpt #: 399 total cpu time spent up to now is 360.8 secs Computing kpt #: 400 total cpu time spent up to now is 361.6 secs Computing kpt #: 401 total cpu time spent up to now is 362.6 secs Computing kpt #: 402 total cpu time spent up to now is 363.5 secs Computing kpt #: 403 total cpu time spent up to now is 364.4 secs Computing kpt #: 404 total cpu time spent up to now is 365.2 secs Computing kpt #: 405 total cpu time spent up to now is 366.0 secs Computing kpt #: 406 total cpu time spent up to now is 366.7 secs Computing kpt #: 407 total cpu time spent up to now is 367.5 secs Computing kpt #: 408 total cpu time spent up to now is 368.3 secs Computing kpt #: 409 total cpu time spent up to now is 369.1 secs Computing kpt #: 410 total cpu time spent up to now is 369.8 secs Computing kpt #: 411 total cpu time spent up to now is 370.5 secs Computing kpt #: 412 total cpu time spent up to now is 371.2 secs Computing kpt #: 413 total cpu time spent up to now is 371.9 secs Computing kpt #: 414 total cpu time spent up to now is 372.5 secs Computing kpt #: 415 total cpu time spent up to now is 373.1 secs Computing kpt #: 416 total cpu time spent up to now is 373.8 secs Computing kpt #: 417 total cpu time spent up to now is 374.6 secs Computing kpt #: 418 total cpu time spent up to now is 375.2 secs Computing kpt #: 419 total cpu time spent up to now is 375.9 secs Computing kpt #: 420 total cpu time spent up to now is 376.5 secs Computing kpt #: 421 total cpu time spent up to now is 377.4 secs Computing kpt #: 422 total cpu time spent up to now is 378.1 secs Computing kpt #: 423 total cpu time spent up to now is 378.9 secs Computing kpt #: 424 total cpu time spent up to now is 379.7 secs Computing kpt #: 425 total cpu time spent up to now is 380.6 secs Computing kpt #: 426 total cpu time spent up to now is 381.4 secs Computing kpt #: 427 total cpu time spent up to now is 382.2 secs Computing kpt #: 428 total cpu time spent up to now is 382.9 secs Computing kpt #: 429 total cpu time spent up to now is 383.7 secs Computing kpt #: 430 total cpu time spent up to now is 384.5 secs Computing kpt #: 431 total cpu time spent up to now is 385.2 secs Computing kpt #: 432 total cpu time spent up to now is 386.1 secs Computing kpt #: 433 total cpu time spent up to now is 386.9 secs Computing kpt #: 434 total cpu time spent up to now is 387.8 secs Computing kpt #: 435 total cpu time spent up to now is 388.5 secs Computing kpt #: 436 total cpu time spent up to now is 389.2 secs Computing kpt #: 437 total cpu time spent up to now is 389.9 secs Computing kpt #: 438 total cpu time spent up to now is 390.6 secs Computing kpt #: 439 total cpu time spent up to now is 391.4 secs Computing kpt #: 440 total cpu time spent up to now is 392.2 secs Computing kpt #: 441 total cpu time spent up to now is 392.9 secs Computing kpt #: 442 total cpu time spent up to now is 393.6 secs Computing kpt #: 443 total cpu time spent up to now is 394.3 secs Computing kpt #: 444 total cpu time spent up to now is 395.0 secs Computing kpt #: 445 total cpu time spent up to now is 395.6 secs Computing kpt #: 446 total cpu time spent up to now is 396.3 secs Computing kpt #: 447 total cpu time spent up to now is 396.9 secs Computing kpt #: 448 total cpu time spent up to now is 397.6 secs Computing kpt #: 449 total cpu time spent up to now is 398.3 secs Computing kpt #: 450 total cpu time spent up to now is 398.9 secs Computing kpt #: 451 total cpu time spent up to now is 399.6 secs ethr = 3.85E-11, avg # of iterations = 27.4 total cpu time spent up to now is 399.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9183 -19.9183 -19.7503 -19.7503 -19.7235 -19.7235 -17.9693 -17.9693 -7.8383 -7.8383 -4.8890 -4.8890 -4.5583 -4.5583 -4.4346 -4.4346 -0.2585 -0.2585 0.7020 0.7020 1.3315 1.3315 4.8598 4.8598 7.7066 7.7066 12.5938 12.5938 13.7751 13.7751 k =-0.0058 0.0051 0.0113 ( 3463 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9184 -19.9182 -19.7504 -19.7502 -19.7236 -19.7233 -17.9693 -17.9693 -7.8383 -7.8383 -4.8889 -4.8889 -4.5606 -4.5583 -4.4352 -4.4329 -0.2589 -0.2589 0.7022 0.7023 1.3319 1.3320 4.8590 4.8591 7.7083 7.7085 12.5937 12.5938 13.7771 13.7771 k =-0.0116 0.0101 0.0226 ( 3459 PWs) bands (ev): -47.8710 -47.8710 -22.8910 -22.8910 -19.9184 -19.9181 -19.7504 -19.7501 -19.7238 -19.7232 -17.9694 -17.9694 -7.8382 -7.8382 -4.8885 -4.8884 -4.5650 -4.5607 -4.4348 -4.4303 -0.2602 -0.2601 0.7026 0.7028 1.3332 1.3334 4.8567 4.8570 7.7136 7.7139 12.5935 12.5936 13.7831 13.7832 k =-0.0174 0.0152 0.0339 ( 3463 PWs) bands (ev): -47.8710 -47.8710 -22.8908 -22.8908 -19.9185 -19.9180 -19.7504 -19.7501 -19.7240 -19.7231 -17.9696 -17.9696 -7.8381 -7.8381 -4.8878 -4.8877 -4.5714 -4.5653 -4.4335 -4.4271 -0.2624 -0.2622 0.7034 0.7035 1.3352 1.3355 4.8531 4.8535 7.7224 7.7229 12.5930 12.5933 13.7931 13.7932 k =-0.0232 0.0202 0.0453 ( 3465 PWs) bands (ev): -47.8710 -47.8710 -22.8905 -22.8905 -19.9186 -19.9179 -19.7504 -19.7499 -19.7242 -19.7231 -17.9699 -17.9699 -7.8380 -7.8380 -4.8868 -4.8868 -4.5796 -4.5720 -4.4312 -4.4234 -0.2654 -0.2652 0.7044 0.7046 1.3381 1.3385 4.8480 4.8485 7.7347 7.7354 12.5924 12.5927 13.8070 13.8071 k =-0.0290 0.0253 0.0566 ( 3469 PWs) bands (ev): -47.8710 -47.8710 -22.8901 -22.8900 -19.9186 -19.9178 -19.7505 -19.7498 -19.7245 -19.7231 -17.9703 -17.9702 -7.8379 -7.8378 -4.8855 -4.8855 -4.5892 -4.5806 -4.4284 -4.4194 -0.2692 -0.2690 0.7057 0.7060 1.3418 1.3422 4.8415 4.8422 7.7505 7.7514 12.5915 12.5920 13.8247 13.8249 k =-0.0349 0.0304 0.0679 ( 3461 PWs) bands (ev): -47.8709 -47.8709 -22.8895 -22.8895 -19.9186 -19.9176 -19.7504 -19.7496 -19.7247 -19.7230 -17.9707 -17.9707 -7.8377 -7.8376 -4.8840 -4.8840 -4.6003 -4.5909 -4.4250 -4.4151 -0.2738 -0.2735 0.7074 0.7078 1.3463 1.3468 4.8338 4.8346 7.7698 7.7708 12.5904 12.5909 13.8461 13.8464 k =-0.0407 0.0354 0.0792 ( 3461 PWs) bands (ev): -47.8709 -47.8709 -22.8889 -22.8889 -19.9187 -19.9175 -19.7503 -19.7495 -19.7250 -19.7230 -17.9712 -17.9712 -7.8375 -7.8374 -4.8823 -4.8822 -4.6125 -4.6025 -4.4214 -4.4109 -0.2791 -0.2788 0.7093 0.7098 1.3515 1.3521 4.8249 4.8258 7.7924 7.7936 12.5890 12.5896 13.8711 13.8714 k =-0.0465 0.0405 0.0905 ( 3457 PWs) bands (ev): -47.8709 -47.8709 -22.8883 -22.8882 -19.9187 -19.9174 -19.7503 -19.7493 -19.7253 -19.7230 -17.9717 -17.9717 -7.8372 -7.8372 -4.8802 -4.8802 -4.6258 -4.6155 -4.4176 -4.4066 -0.2852 -0.2848 0.7116 0.7121 1.3574 1.3581 4.8148 4.8159 7.8184 7.8197 12.5872 12.5878 13.8993 13.8996 k =-0.0523 0.0456 0.1018 ( 3465 PWs) bands (ev): -47.8709 -47.8709 -22.8875 -22.8874 -19.9187 -19.9173 -19.7502 -19.7491 -19.7256 -19.7231 -17.9724 -17.9724 -7.8370 -7.8370 -4.8779 -4.8779 -4.6400 -4.6295 -4.4137 -4.4024 -0.2919 -0.2915 0.7141 0.7146 1.3640 1.3647 4.8037 4.8048 7.8476 7.8490 12.5849 12.5856 13.9304 13.9308 k =-0.0581 0.0506 0.1131 ( 3459 PWs) bands (ev): -47.8709 -47.8709 -22.8866 -22.8866 -19.9187 -19.9171 -19.7501 -19.7489 -19.7259 -19.7231 -17.9731 -17.9731 -7.8368 -7.8367 -4.8754 -4.8754 -4.6552 -4.6445 -4.4097 -4.3983 -0.2993 -0.2989 0.7169 0.7175 1.3712 1.3720 4.7915 4.7928 7.8799 7.8815 12.5821 12.5829 13.9640 13.9644 k =-0.0639 0.0557 0.1244 ( 3459 PWs) bands (ev): -47.8708 -47.8708 -22.8857 -22.8857 -19.9187 -19.9169 -19.7500 -19.7487 -19.7262 -19.7232 -17.9738 -17.9738 -7.8366 -7.8365 -4.8726 -4.8726 -4.6711 -4.6605 -4.4058 -4.3943 -0.3072 -0.3068 0.7200 0.7207 1.3790 1.3799 4.7786 4.7799 7.9153 7.9171 12.5788 12.5796 13.9993 13.9998 k =-0.0697 0.0607 0.1358 ( 3461 PWs) bands (ev): -47.8708 -47.8708 -22.8847 -22.8846 -19.9188 -19.9168 -19.7499 -19.7486 -19.7266 -19.7233 -17.9747 -17.9747 -7.8364 -7.8363 -4.8696 -4.8696 -4.6878 -4.6772 -4.4019 -4.3904 -0.3158 -0.3153 0.7234 0.7241 1.3874 1.3883 4.7648 4.7662 7.9537 7.9555 12.5747 12.5757 14.0353 14.0359 k =-0.0755 0.0658 0.1471 ( 3463 PWs) bands (ev): -47.8708 -47.8708 -22.8836 -22.8836 -19.9188 -19.9167 -19.7498 -19.7484 -19.7269 -19.7234 -17.9756 -17.9756 -7.8362 -7.8361 -4.8664 -4.8663 -4.7050 -4.6946 -4.3982 -4.3867 -0.3248 -0.3242 0.7271 0.7279 1.3962 1.3972 4.7503 4.7518 7.9950 7.9969 12.5699 12.5709 14.0703 14.0710 k =-0.0813 0.0709 0.1584 ( 3463 PWs) bands (ev): -47.8707 -47.8707 -22.8825 -22.8824 -19.9188 -19.9165 -19.7497 -19.7482 -19.7272 -19.7235 -17.9765 -17.9765 -7.8361 -7.8360 -4.8629 -4.8629 -4.7229 -4.7125 -4.3944 -4.3830 -0.3341 -0.3336 0.7310 0.7319 1.4054 1.4065 4.7353 4.7369 8.0391 8.0410 12.5643 12.5653 14.1016 14.1025 k =-0.0871 0.0759 0.1697 ( 3455 PWs) bands (ev): -47.8707 -47.8707 -22.8813 -22.8812 -19.9188 -19.9163 -19.7496 -19.7480 -19.7275 -19.7236 -17.9775 -17.9775 -7.8360 -7.8359 -4.8593 -4.8592 -4.7412 -4.7310 -4.3908 -4.3795 -0.3438 -0.3432 0.7353 0.7361 1.4151 1.4161 4.7199 4.7215 8.0858 8.0878 12.5577 12.5588 14.1251 14.1261 k =-0.0930 0.0810 0.1810 ( 3455 PWs) bands (ev): -47.8707 -47.8707 -22.8800 -22.8799 -19.9188 -19.9162 -19.7495 -19.7478 -19.7279 -19.7237 -17.9786 -17.9786 -7.8360 -7.8359 -4.8554 -4.8554 -4.7598 -4.7499 -4.3873 -4.3761 -0.3539 -0.3532 0.7397 0.7407 1.4251 1.4262 4.7042 4.7059 8.1351 8.1372 12.5500 12.5513 14.1346 14.1358 k =-0.0988 0.0860 0.1923 ( 3455 PWs) bands (ev): -47.8706 -47.8706 -22.8787 -22.8786 -19.9188 -19.9161 -19.7493 -19.7477 -19.7282 -19.7238 -17.9797 -17.9797 -7.8361 -7.8360 -4.8514 -4.8513 -4.7788 -4.7691 -4.3839 -4.3729 -0.3641 -0.3634 0.7445 0.7455 1.4353 1.4364 4.6883 4.6900 8.1868 8.1890 12.5413 12.5426 14.1234 14.1249 k =-0.1046 0.0911 0.2036 ( 3453 PWs) bands (ev): -47.8706 -47.8706 -22.8773 -22.8772 -19.9189 -19.9159 -19.7492 -19.7475 -19.7285 -19.7239 -17.9809 -17.9809 -7.8363 -7.8362 -4.8473 -4.8471 -4.7980 -4.7885 -4.3806 -4.3698 -0.3746 -0.3738 0.7495 0.7505 1.4458 1.4470 4.6722 4.6740 8.2409 8.2431 12.5314 12.5328 14.0881 14.0898 k =-0.1104 0.0962 0.2149 ( 3465 PWs) bands (ev): -47.8706 -47.8706 -22.8759 -22.8758 -19.9190 -19.9159 -19.7491 -19.7474 -19.7289 -19.7241 -17.9821 -17.9821 -7.8366 -7.8365 -4.8431 -4.8427 -4.8172 -4.8081 -4.3774 -4.3668 -0.3851 -0.3843 0.7546 0.7557 1.4564 1.4576 4.6562 4.6580 8.2972 8.2994 12.5201 12.5216 14.0313 14.0331 k =-0.1162 0.1012 0.2263 ( 3467 PWs) bands (ev): -47.8705 -47.8705 -22.8744 -22.8743 -19.9190 -19.9158 -19.7491 -19.7474 -19.7291 -19.7243 -17.9833 -17.9833 -7.8369 -7.8369 -4.8406 -4.8382 -4.8346 -4.8277 -4.3744 -4.3639 -0.3956 -0.3948 0.7601 0.7612 1.4672 1.4684 4.6403 4.6421 8.3557 8.3579 12.5075 12.5091 13.9591 13.9612 k =-0.1220 0.1063 0.2376 ( 3463 PWs) bands (ev): -47.8705 -47.8705 -22.8729 -22.8728 -19.9191 -19.9157 -19.7490 -19.7473 -19.7294 -19.7244 -17.9846 -17.9846 -7.8375 -7.8374 -4.8567 -4.8473 -4.8336 -4.8331 -4.3714 -4.3612 -0.4061 -0.4053 0.7658 0.7670 1.4781 1.4792 4.6246 4.6265 8.4161 8.4183 12.4934 12.4951 13.8774 13.8796 k =-0.1278 0.1113 0.2489 ( 3465 PWs) bands (ev): -47.8704 -47.8704 -22.8714 -22.8713 -19.9191 -19.9156 -19.7489 -19.7472 -19.7296 -19.7245 -17.9859 -17.9859 -7.8381 -7.8381 -4.8757 -4.8668 -4.8288 -4.8285 -4.3686 -4.3585 -0.4165 -0.4156 0.7717 0.7729 1.4890 1.4901 4.6093 4.6111 8.4784 8.4806 12.4778 12.4796 13.7903 13.7926 k =-0.1336 0.1164 0.2602 ( 3469 PWs) bands (ev): -47.8704 -47.8704 -22.8699 -22.8697 -19.9192 -19.9156 -19.7488 -19.7472 -19.7298 -19.7247 -17.9873 -17.9873 -7.8390 -7.8389 -4.8947 -4.8861 -4.8239 -4.8237 -4.3660 -4.3561 -0.4268 -0.4258 0.7778 0.7791 1.4998 1.5010 4.5944 4.5963 8.5425 8.5447 12.4607 12.4626 13.7002 13.7027 k =-0.1394 0.1215 0.2715 ( 3473 PWs) bands (ev): -47.8704 -47.8704 -22.8683 -22.8682 -19.9194 -19.9155 -19.7488 -19.7473 -19.7300 -19.7248 -17.9887 -17.9886 -7.8400 -7.8400 -4.9134 -4.9051 -4.8189 -4.8187 -4.3635 -4.3538 -0.4367 -0.4357 0.7842 0.7855 1.5106 1.5118 4.5800 4.5819 8.6082 8.6103 12.4419 12.4439 13.6088 13.6116 k =-0.1452 0.1265 0.2828 ( 3473 PWs) bands (ev): -47.8703 -47.8703 -22.8667 -22.8666 -19.9195 -19.9155 -19.7488 -19.7473 -19.7302 -19.7249 -17.9900 -17.9900 -7.8412 -7.8411 -4.9318 -4.9237 -4.8138 -4.8136 -4.3611 -4.3516 -0.4464 -0.4453 0.7907 0.7920 1.5213 1.5224 4.5663 4.5682 8.6754 8.6775 12.4214 12.4236 13.5172 13.5201 k =-0.1510 0.1316 0.2941 ( 3469 PWs) bands (ev): -47.8703 -47.8703 -22.8651 -22.8649 -19.9195 -19.9155 -19.7487 -19.7473 -19.7304 -19.7251 -17.9914 -17.9914 -7.8426 -7.8425 -4.9497 -4.9418 -4.8086 -4.8085 -4.3589 -4.3496 -0.4557 -0.4546 0.7974 0.7988 1.5319 1.5330 4.5533 4.5552 8.7441 8.7461 12.3994 12.4016 13.4260 13.4291 k =-0.1569 0.1367 0.3054 ( 3465 PWs) bands (ev): -47.8703 -47.8703 -22.8635 -22.8633 -19.9197 -19.9155 -19.7487 -19.7474 -19.7305 -19.7252 -17.9929 -17.9929 -7.8441 -7.8441 -4.9671 -4.9594 -4.8033 -4.8032 -4.3568 -4.3477 -0.4645 -0.4634 0.8043 0.8057 1.5423 1.5433 4.5411 4.5430 8.8140 8.8160 12.3756 12.3780 13.3356 13.3388 k =-0.1627 0.1417 0.3168 ( 3461 PWs) bands (ev): -47.8702 -47.8702 -22.8619 -22.8617 -19.9198 -19.9155 -19.7487 -19.7475 -19.7307 -19.7253 -17.9943 -17.9943 -7.8460 -7.8460 -4.9839 -4.9764 -4.7981 -4.7979 -4.3549 -4.3460 -0.4729 -0.4717 0.8113 0.8128 1.5525 1.5535 4.5297 4.5317 8.8850 8.8870 12.3503 12.3528 13.2463 13.2497 k =-0.1685 0.1468 0.3281 ( 3457 PWs) bands (ev): -47.8702 -47.8702 -22.8603 -22.8601 -19.9199 -19.9155 -19.7488 -19.7477 -19.7307 -19.7253 -17.9957 -17.9957 -7.8480 -7.8480 -5.0000 -4.9927 -4.7927 -4.7926 -4.3532 -4.3445 -0.4807 -0.4794 0.8186 0.8201 1.5625 1.5634 4.5194 4.5213 8.9571 8.9590 12.3234 12.3260 13.1583 13.1619 k =-0.1743 0.1518 0.3394 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8587 -22.8585 -19.9201 -19.9155 -19.7489 -19.7479 -19.7308 -19.7254 -17.9972 -17.9972 -7.8503 -7.8503 -5.0154 -5.0083 -4.7874 -4.7872 -4.3517 -4.3432 -0.4879 -0.4866 0.8259 0.8275 1.5722 1.5731 4.5100 4.5120 9.0300 9.0319 12.2949 12.2976 13.0718 13.0755 k =-0.1801 0.1569 0.3507 ( 3465 PWs) bands (ev): -47.8701 -47.8701 -22.8571 -22.8569 -19.9203 -19.9156 -19.7490 -19.7481 -19.7310 -19.7256 -17.9986 -17.9986 -7.8529 -7.8528 -5.0300 -5.0231 -4.7820 -4.7819 -4.3504 -4.3421 -0.4945 -0.4932 0.8334 0.8350 1.5816 1.5824 4.5017 4.5037 9.1037 9.1055 12.2650 12.2679 12.9867 12.9906 k =-0.1859 0.1620 0.3620 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8555 -22.8554 -19.9204 -19.9157 -19.7491 -19.7483 -19.7311 -19.7257 -18.0001 -18.0001 -7.8557 -7.8556 -5.0437 -5.0370 -4.7767 -4.7765 -4.3493 -4.3412 -0.5003 -0.4990 0.8410 0.8426 1.5907 1.5915 4.4947 4.4966 9.1780 9.1797 12.2339 12.2368 12.9032 12.9072 k =-0.1917 0.1670 0.3733 ( 3461 PWs) bands (ev): -47.8700 -47.8700 -22.8540 -22.8538 -19.9206 -19.9158 -19.7492 -19.7485 -19.7312 -19.7258 -18.0015 -18.0015 -7.8588 -7.8587 -5.0565 -5.0500 -4.7713 -4.7711 -4.3484 -4.3404 -0.5055 -0.5041 0.8487 0.8504 1.5995 1.6002 4.4888 4.4907 9.2527 9.2544 12.2015 12.2045 12.8212 12.8252 k =-0.1975 0.1721 0.3846 ( 3465 PWs) bands (ev): -47.8700 -47.8700 -22.8525 -22.8523 -19.9208 -19.9159 -19.7494 -19.7488 -19.7313 -19.7260 -18.0029 -18.0029 -7.8622 -7.8620 -5.0684 -5.0620 -4.7660 -4.7658 -4.3477 -4.3399 -0.5099 -0.5084 0.8565 0.8582 1.6079 1.6086 4.4841 4.4861 9.3278 9.3293 12.1680 12.1711 12.7406 12.7448 k =-0.2033 0.1771 0.3959 ( 3465 PWs) bands (ev): -47.8700 -47.8700 -22.8510 -22.8508 -19.9210 -19.9161 -19.7496 -19.7490 -19.7314 -19.7261 -18.0043 -18.0043 -7.8658 -7.8657 -5.0792 -5.0730 -4.7607 -4.7605 -4.3472 -4.3396 -0.5134 -0.5119 0.8644 0.8662 1.6160 1.6166 4.4808 4.4827 9.4030 9.4044 12.1336 12.1368 12.6615 12.6658 k =-0.2091 0.1822 0.4073 ( 3469 PWs) bands (ev): -47.8700 -47.8700 -22.8496 -22.8494 -19.9213 -19.9162 -19.7499 -19.7493 -19.7316 -19.7262 -18.0057 -18.0057 -7.8697 -7.8695 -5.0890 -5.0830 -4.7555 -4.7553 -4.3470 -4.3396 -0.5161 -0.5146 0.8724 0.8742 1.6237 1.6242 4.4787 4.4806 9.4782 9.4795 12.0984 12.1017 12.5839 12.5883 k =-0.2149 0.1873 0.4186 ( 3475 PWs) bands (ev): -47.8700 -47.8700 -22.8482 -22.8480 -19.9215 -19.9165 -19.7501 -19.7497 -19.7317 -19.7264 -18.0071 -18.0071 -7.8739 -7.8737 -5.0977 -5.0918 -4.7503 -4.7501 -4.3470 -4.3397 -0.5180 -0.5164 0.8804 0.8822 1.6310 1.6315 4.4780 4.4799 9.5532 9.5543 12.0626 12.0659 12.5075 12.5120 k =-0.2208 0.1923 0.4299 ( 3479 PWs) bands (ev): -47.8699 -47.8699 -22.8468 -22.8466 -19.9218 -19.9167 -19.7504 -19.7500 -19.7319 -19.7265 -18.0084 -18.0084 -7.8784 -7.8782 -5.1052 -5.0995 -4.7452 -4.7450 -4.3472 -4.3401 -0.5189 -0.5172 0.8885 0.8903 1.6380 1.6383 4.4787 4.4806 9.6277 9.6288 12.0264 12.0297 12.4325 12.4371 k =-0.2266 0.1974 0.4412 ( 3479 PWs) bands (ev): -47.8699 -47.8699 -22.8455 -22.8453 -19.9220 -19.9169 -19.7507 -19.7503 -19.7321 -19.7266 -18.0097 -18.0097 -7.8831 -7.8829 -5.1116 -5.1060 -4.7402 -4.7399 -4.3477 -4.3407 -0.5189 -0.5172 0.8966 0.8985 1.6445 1.6448 4.4808 4.4827 9.7017 9.7027 11.9898 11.9932 12.3587 12.3633 k =-0.2324 0.2024 0.4525 ( 3483 PWs) bands (ev): -47.8699 -47.8699 -22.8442 -22.8440 -19.9223 -19.9171 -19.7511 -19.7506 -19.7322 -19.7268 -18.0110 -18.0110 -7.8882 -7.8879 -5.1168 -5.1114 -4.7352 -4.7349 -4.3484 -4.3416 -0.5179 -0.5162 0.9047 0.9067 1.6506 1.6509 4.4843 4.4862 9.7749 9.7757 11.9530 11.9565 12.2861 12.2908 k =-0.2382 0.2075 0.4638 ( 3475 PWs) bands (ev): -47.8699 -47.8699 -22.8430 -22.8428 -19.9226 -19.9173 -19.7514 -19.7509 -19.7324 -19.7269 -18.0122 -18.0122 -7.8935 -7.8932 -5.1208 -5.1155 -4.7303 -4.7300 -4.3493 -4.3426 -0.5160 -0.5142 0.9129 0.9148 1.6564 1.6565 4.4893 4.4912 9.8470 9.8477 11.9161 11.9196 12.2146 12.2194 k =-0.2440 0.2126 0.4751 ( 3483 PWs) bands (ev): -47.8699 -47.8699 -22.8418 -22.8416 -19.9229 -19.9177 -19.7519 -19.7513 -19.7326 -19.7271 -18.0135 -18.0135 -7.8991 -7.8988 -5.1236 -5.1185 -4.7256 -4.7253 -4.3505 -4.3440 -0.5131 -0.5113 0.9210 0.9230 1.6617 1.6618 4.4956 4.4975 9.9179 9.9184 11.8792 11.8827 12.1444 12.1493 k =-0.2498 0.2176 0.4864 ( 3483 PWs) bands (ev): -47.8699 -47.8699 -22.8407 -22.8405 -19.9232 -19.9179 -19.7523 -19.7517 -19.7328 -19.7272 -18.0146 -18.0146 -7.9049 -7.9046 -5.1252 -5.1202 -4.7209 -4.7206 -4.3519 -4.3455 -0.5092 -0.5074 0.9291 0.9312 1.6666 1.6666 4.5034 4.5053 9.9871 9.9875 11.8422 11.8458 12.0754 12.0803 k =-0.2556 0.2227 0.4978 ( 3481 PWs) bands (ev): -47.8699 -47.8699 -22.8397 -22.8394 -19.9234 -19.9182 -19.7527 -19.7520 -19.7330 -19.7274 -18.0158 -18.0158 -7.9110 -7.9107 -5.1255 -5.1207 -4.7163 -4.7160 -4.3535 -4.3473 -0.5044 -0.5025 0.9372 0.9393 1.6711 1.6711 4.5126 4.5144 10.0545 10.0547 11.8051 11.8087 12.0078 12.0128 k =-0.2614 0.2278 0.5091 ( 3477 PWs) bands (ev): -47.8699 -47.8699 -22.8387 -22.8384 -19.9237 -19.9185 -19.7531 -19.7523 -19.7333 -19.7275 -18.0169 -18.0169 -7.9174 -7.9170 -5.1247 -5.1199 -4.7119 -4.7116 -4.3554 -4.3493 -0.4986 -0.4967 0.9453 0.9474 1.6752 1.6753 4.5231 4.5250 10.1198 10.1198 11.7676 11.7711 11.9419 11.9470 k =-0.2672 0.2328 0.5204 ( 3477 PWs) bands (ev): -47.8699 -47.8699 -22.8377 -22.8375 -19.9240 -19.9189 -19.7536 -19.7527 -19.7335 -19.7277 -18.0179 -18.0179 -7.9240 -7.9236 -5.1226 -5.1180 -4.7076 -4.7072 -4.3575 -4.3516 -0.4919 -0.4899 0.9533 0.9554 1.6789 1.6790 4.5351 4.5369 10.1824 10.1825 11.7291 11.7326 11.8784 11.8834 k =-0.2730 0.2379 0.5317 ( 3461 PWs) bands (ev): -47.8698 -47.8698 -22.8368 -22.8366 -19.9243 -19.9192 -19.7540 -19.7530 -19.7337 -19.7278 -18.0189 -18.0189 -7.9308 -7.9304 -5.1193 -5.1147 -4.7034 -4.7030 -4.3598 -4.3540 -0.4842 -0.4822 0.9613 0.9634 1.6822 1.6825 4.5485 4.5503 10.2421 10.2425 11.6889 11.6921 11.8182 11.8230 k =-0.2789 0.2429 0.5430 ( 3463 PWs) bands (ev): -47.8698 -47.8698 -22.8360 -22.8358 -19.9246 -19.9195 -19.7546 -19.7534 -19.7339 -19.7279 -18.0199 -18.0199 -7.9378 -7.9374 -5.1148 -5.1104 -4.6993 -4.6989 -4.3624 -4.3567 -0.4756 -0.4736 0.9692 0.9713 1.6852 1.6855 4.5630 4.5648 10.2986 10.2992 11.6453 11.6480 11.7629 11.7672 k =-0.2847 0.2480 0.5543 ( 3459 PWs) bands (ev): -47.8699 -47.8699 -22.8353 -22.8350 -19.9249 -19.9199 -19.7551 -19.7538 -19.7341 -19.7280 -18.0208 -18.0208 -7.9450 -7.9446 -5.1092 -5.1049 -4.6953 -4.6949 -4.3651 -4.3596 -0.4662 -0.4641 0.9770 0.9792 1.6878 1.6881 4.5789 4.5807 10.3516 10.3524 11.5972 11.5989 11.7139 11.7174 k =-0.2905 0.2531 0.5656 ( 3459 PWs) bands (ev): -47.8699 -47.8699 -22.8346 -22.8343 -19.9253 -19.9203 -19.7557 -19.7543 -19.7343 -19.7282 -18.0217 -18.0217 -7.9524 -7.9519 -5.1024 -5.0983 -4.6915 -4.6911 -4.3680 -4.3627 -0.4558 -0.4537 0.9846 0.9869 1.6901 1.6905 4.5960 4.5977 10.4007 10.4017 11.5439 11.5446 11.6714 11.6739 k =-0.2963 0.2581 0.5769 ( 3459 PWs) bands (ev): -47.8699 -47.8699 -22.8339 -22.8337 -19.9257 -19.9208 -19.7563 -19.7548 -19.7345 -19.7283 -18.0225 -18.0225 -7.9600 -7.9595 -5.0946 -5.0905 -4.6879 -4.6875 -4.3712 -4.3659 -0.4447 -0.4425 0.9922 0.9945 1.6920 1.6924 4.6143 4.6160 10.4455 10.4467 11.4861 11.4864 11.6343 11.6359 k =-0.3021 0.2632 0.5883 ( 3455 PWs) bands (ev): -47.8699 -47.8699 -22.8334 -22.8331 -19.9260 -19.9212 -19.7569 -19.7552 -19.7346 -19.7284 -18.0233 -18.0233 -7.9676 -7.9672 -5.0857 -5.0817 -4.6843 -4.6839 -4.3745 -4.3694 -0.4327 -0.4305 0.9997 1.0019 1.6936 1.6941 4.6337 4.6354 10.4858 10.4871 11.4251 11.4260 11.6009 11.6019 k =-0.3079 0.2682 0.5996 ( 3455 PWs) bands (ev): -47.8699 -47.8699 -22.8328 -22.8326 -19.9264 -19.9217 -19.7576 -19.7558 -19.7347 -19.7285 -18.0240 -18.0240 -7.9755 -7.9750 -5.0758 -5.0719 -4.6809 -4.6805 -4.3780 -4.3730 -0.4200 -0.4178 1.0070 1.0093 1.6949 1.6954 4.6542 4.6558 10.5211 10.5227 11.3624 11.3638 11.5701 11.5707 k =-0.3137 0.2733 0.6109 ( 3457 PWs) bands (ev): -47.8699 -47.8699 -22.8324 -22.8321 -19.9268 -19.9222 -19.7583 -19.7563 -19.7349 -19.7286 -18.0247 -18.0247 -7.9834 -7.9829 -5.0650 -5.0612 -4.6777 -4.6772 -4.3816 -4.3767 -0.4066 -0.4044 1.0142 1.0164 1.6959 1.6965 4.6756 4.6772 10.5514 10.5532 11.2988 11.3005 11.5412 11.5415 k =-0.3195 0.2784 0.6222 ( 3465 PWs) bands (ev): -47.8699 -47.8699 -22.8320 -22.8317 -19.9272 -19.9227 -19.7590 -19.7569 -19.7350 -19.7287 -18.0254 -18.0254 -7.9914 -7.9909 -5.0532 -5.0495 -4.6745 -4.6741 -4.3854 -4.3807 -0.3925 -0.3903 1.0212 1.0235 1.6966 1.6972 4.6980 4.6996 10.5765 10.5783 11.2346 11.2365 11.5137 11.5138 k =-0.3253 0.2834 0.6335 ( 3463 PWs) bands (ev): -47.8700 -47.8700 -22.8316 -22.8314 -19.9277 -19.9233 -19.7596 -19.7575 -19.7350 -19.7288 -18.0260 -18.0260 -7.9994 -7.9989 -5.0406 -5.0370 -4.6715 -4.6711 -4.3893 -4.3847 -0.3778 -0.3756 1.0281 1.0303 1.6971 1.6977 4.7213 4.7228 10.5961 10.5982 11.1700 11.1720 11.4872 11.4873 k =-0.3311 0.2885 0.6448 ( 3467 PWs) bands (ev): -47.8700 -47.8700 -22.8313 -22.8311 -19.9281 -19.9238 -19.7604 -19.7581 -19.7351 -19.7288 -18.0265 -18.0265 -8.0075 -8.0070 -5.0272 -5.0237 -4.6687 -4.6682 -4.3934 -4.3888 -0.3626 -0.3603 1.0347 1.0370 1.6973 1.6980 4.7453 4.7468 10.6104 10.6126 11.1051 11.1072 11.4615 11.4617 k =-0.3369 0.2936 0.6561 ( 3463 PWs) bands (ev): -47.8700 -47.8700 -22.8311 -22.8308 -19.9285 -19.9244 -19.7610 -19.7587 -19.7350 -19.7289 -18.0271 -18.0271 -8.0156 -8.0151 -5.0130 -5.0096 -4.6659 -4.6655 -4.3975 -4.3931 -0.3468 -0.3446 1.0413 1.0436 1.6973 1.6980 4.7701 4.7715 10.6194 10.6216 11.0402 11.0423 11.4366 11.4368 k =-0.3428 0.2986 0.6674 ( 3465 PWs) bands (ev): -47.8700 -47.8700 -22.8309 -22.8306 -19.9290 -19.9250 -19.7617 -19.7594 -19.7350 -19.7289 -18.0276 -18.0275 -8.0237 -8.0232 -4.9982 -4.9949 -4.6633 -4.6629 -4.4017 -4.3974 -0.3306 -0.3284 1.0476 1.0499 1.6971 1.6978 4.7954 4.7968 10.6230 10.6253 10.9752 10.9773 11.4122 11.4125 k =-0.3486 0.3037 0.6788 ( 3453 PWs) bands (ev): -47.8700 -47.8700 -22.8307 -22.8305 -19.9294 -19.9255 -19.7624 -19.7600 -19.7349 -19.7288 -18.0280 -18.0280 -8.0318 -8.0312 -4.9828 -4.9796 -4.6608 -4.6604 -4.4059 -4.4017 -0.3141 -0.3118 1.0538 1.0560 1.6967 1.6974 4.8213 4.8226 10.6215 10.6237 10.9106 10.9125 11.3885 11.3888 k =-0.3544 0.3087 0.6901 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0284 -8.0398 -8.0392 -4.9670 -4.9638 -4.6585 -4.6580 -4.4102 -4.4062 -0.2972 -0.2950 1.0597 1.0619 1.6961 1.6968 4.8475 4.8489 10.6146 10.6167 10.8467 10.8485 11.3654 11.3657 k =-0.3544 0.3087 0.6901 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0284 -8.0398 -8.0392 -4.9670 -4.9638 -4.6585 -4.6580 -4.4102 -4.4062 -0.2972 -0.2950 1.0597 1.0619 1.6961 1.6968 4.8475 4.8489 10.6146 10.6167 10.8467 10.8485 11.3654 11.3657 k =-0.3460 0.3015 0.6976 ( 3455 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0284 -8.0393 -8.0387 -4.9669 -4.9637 -4.6591 -4.6586 -4.4099 -4.4058 -0.2978 -0.2955 1.0579 1.0603 1.6966 1.6978 4.8477 4.8491 10.6112 10.6133 10.8473 10.8491 11.3660 11.3664 k =-0.3377 0.2942 0.7051 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0283 -8.0377 -8.0372 -4.9666 -4.9635 -4.6608 -4.6602 -4.4088 -4.4048 -0.2994 -0.2972 1.0525 1.0553 1.6985 1.7005 4.8483 4.8496 10.6009 10.6030 10.8493 10.8514 11.3681 11.3684 k =-0.3294 0.2870 0.7126 ( 3454 PWs) bands (ev): -47.8701 -47.8701 -22.8307 -22.8304 -19.9299 -19.9261 -19.7632 -19.7606 -19.7348 -19.7289 -18.0284 -18.0283 -8.0352 -8.0346 -4.9663 -4.9631 -4.6637 -4.6629 -4.4071 -4.4030 -0.3022 -0.2999 1.0439 1.0472 1.7018 1.7047 4.8491 4.8505 10.5840 10.5862 10.8534 10.8557 11.3716 11.3720 k =-0.3294 0.2870 0.7126 ( 3454 PWs) bands (ev): -47.8701 -47.8701 -22.8307 -22.8304 -19.9299 -19.9261 -19.7632 -19.7606 -19.7348 -19.7289 -18.0284 -18.0283 -8.0352 -8.0346 -4.9663 -4.9631 -4.6637 -4.6629 -4.4071 -4.4030 -0.3022 -0.2999 1.0439 1.0472 1.7018 1.7047 4.8491 4.8505 10.5840 10.5862 10.8534 10.8557 11.3716 11.3720 k =-0.3191 0.2780 0.7126 ( 3450 PWs) bands (ev): -47.8701 -47.8701 -22.8307 -22.8305 -19.9297 -19.9258 -19.7628 -19.7603 -19.7348 -19.7289 -18.0281 -18.0280 -8.0278 -8.0273 -4.9749 -4.9718 -4.6681 -4.6672 -4.4028 -4.3986 -0.3149 -0.3126 1.0314 1.0351 1.7057 1.7092 4.8355 4.8368 10.5725 10.5748 10.8947 10.8973 11.3889 11.3893 k =-0.3088 0.2690 0.7126 ( 3447 PWs) bands (ev): -47.8700 -47.8700 -22.8308 -22.8306 -19.9295 -19.9255 -19.7625 -19.7600 -19.7348 -19.7289 -18.0278 -18.0277 -8.0198 -8.0192 -4.9833 -4.9801 -4.6730 -4.6720 -4.3981 -4.3939 -0.3283 -0.3259 1.0172 1.0213 1.7103 1.7142 4.8224 4.8237 10.5584 10.5606 10.9377 10.9406 11.4074 11.4080 k =-0.2985 0.2601 0.7126 ( 3447 PWs) bands (ev): -47.8700 -47.8700 -22.8309 -22.8307 -19.9293 -19.9253 -19.7623 -19.7598 -19.7349 -19.7289 -18.0274 -18.0273 -8.0111 -8.0106 -4.9915 -4.9884 -4.6786 -4.6774 -4.3932 -4.3889 -0.3424 -0.3400 1.0016 1.0061 1.7152 1.7196 4.8097 4.8111 10.5427 10.5449 10.9818 10.9850 11.4273 11.4280 k =-0.2882 0.2511 0.7126 ( 3447 PWs) bands (ev): -47.8700 -47.8700 -22.8310 -22.8308 -19.9292 -19.9252 -19.7621 -19.7597 -19.7349 -19.7290 -18.0269 -18.0268 -8.0019 -8.0014 -4.9996 -4.9965 -4.6845 -4.6833 -4.3880 -4.3837 -0.3572 -0.3547 0.9848 0.9895 1.7204 1.7252 4.7977 4.7990 10.5261 10.5282 11.0268 11.0302 11.4483 11.4491 k =-0.2779 0.2421 0.7126 ( 3439 PWs) bands (ev): -47.8700 -47.8700 -22.8311 -22.8309 -19.9290 -19.9250 -19.7619 -19.7596 -19.7349 -19.7290 -18.0264 -18.0262 -7.9922 -7.9916 -5.0075 -5.0044 -4.6908 -4.6895 -4.3826 -4.3783 -0.3724 -0.3699 0.9671 0.9720 1.7259 1.7309 4.7862 4.7876 10.5092 10.5112 11.0721 11.0757 11.4706 11.4715 k =-0.2676 0.2332 0.7126 ( 3442 PWs) bands (ev): -47.8700 -47.8700 -22.8312 -22.8310 -19.9290 -19.9250 -19.7618 -19.7596 -19.7349 -19.7291 -18.0257 -18.0255 -7.9819 -7.9814 -5.0153 -5.0123 -4.6973 -4.6959 -4.3771 -4.3728 -0.3882 -0.3856 0.9485 0.9537 1.7314 1.7366 4.7754 4.7767 10.4923 10.4942 11.1173 11.1212 11.4940 11.4951 k =-0.2573 0.2242 0.7126 ( 3444 PWs) bands (ev): -47.8700 -47.8700 -22.8313 -22.8311 -19.9290 -19.9250 -19.7618 -19.7597 -19.7348 -19.7292 -18.0249 -18.0247 -7.9713 -7.9708 -5.0231 -5.0202 -4.7040 -4.7025 -4.3715 -4.3672 -0.4045 -0.4018 0.9294 0.9346 1.7369 1.7422 4.7652 4.7665 10.4757 10.4776 11.1621 11.1662 11.5185 11.5197 k =-0.2470 0.2152 0.7126 ( 3444 PWs) bands (ev): -47.8700 -47.8700 -22.8313 -22.8311 -19.9290 -19.9251 -19.7619 -19.7598 -19.7348 -19.7293 -18.0240 -18.0238 -7.9602 -7.9598 -5.0309 -5.0280 -4.7107 -4.7092 -4.3659 -4.3615 -0.4210 -0.4183 0.9097 0.9151 1.7424 1.7478 4.7556 4.7570 10.4597 10.4615 11.2060 11.2104 11.5442 11.5455 k =-0.2367 0.2063 0.7126 ( 3450 PWs) bands (ev): -47.8700 -47.8700 -22.8314 -22.8312 -19.9291 -19.9253 -19.7621 -19.7601 -19.7348 -19.7294 -18.0231 -18.0229 -7.9489 -7.9485 -5.0386 -5.0358 -4.7174 -4.7159 -4.3602 -4.3559 -0.4378 -0.4351 0.8898 0.8952 1.7477 1.7531 4.7467 4.7480 10.4443 10.4460 11.2486 11.2533 11.5710 11.5724 k =-0.2264 0.1973 0.7126 ( 3447 PWs) bands (ev): -47.8699 -47.8699 -22.8314 -22.8312 -19.9292 -19.9255 -19.7623 -19.7604 -19.7347 -19.7295 -18.0220 -18.0218 -7.9373 -7.9369 -5.0464 -5.0437 -4.7240 -4.7224 -4.3546 -4.3503 -0.4548 -0.4520 0.8697 0.8750 1.7529 1.7583 4.7385 4.7398 10.4297 10.4313 11.2896 11.2945 11.5990 11.6005 k =-0.2162 0.1883 0.7126 ( 3447 PWs) bands (ev): -47.8699 -47.8699 -22.8314 -22.8312 -19.9293 -19.9258 -19.7626 -19.7607 -19.7347 -19.7296 -18.0208 -18.0206 -7.9255 -7.9251 -5.0543 -5.0517 -4.7303 -4.7286 -4.3491 -4.3448 -0.4718 -0.4690 0.8494 0.8548 1.7579 1.7633 4.7309 4.7322 10.4158 10.4173 11.3285 11.3337 11.6282 11.6299 k =-0.2059 0.1793 0.7126 ( 3449 PWs) bands (ev): -47.8699 -47.8699 -22.8314 -22.8312 -19.9296 -19.9262 -19.7629 -19.7612 -19.7346 -19.7298 -18.0195 -18.0193 -7.9136 -7.9132 -5.0623 -5.0598 -4.7363 -4.7346 -4.3437 -4.3395 -0.4887 -0.4859 0.8293 0.8346 1.7627 1.7680 4.7239 4.7252 10.4027 10.4042 11.3651 11.3705 11.6587 11.6605 k =-0.1956 0.1704 0.7126 ( 3451 PWs) bands (ev): -47.8699 -47.8699 -22.8314 -22.8312 -19.9298 -19.9266 -19.7633 -19.7617 -19.7346 -19.7299 -18.0182 -18.0180 -7.9016 -7.9013 -5.0703 -5.0679 -4.7419 -4.7401 -4.3385 -4.3343 -0.5055 -0.5027 0.8092 0.8144 1.7673 1.7725 4.7176 4.7188 10.3905 10.3919 11.3990 11.4046 11.6906 11.6925 k =-0.1853 0.1614 0.7126 ( 3457 PWs) bands (ev): -47.8699 -47.8699 -22.8313 -22.8312 -19.9301 -19.9271 -19.7638 -19.7623 -19.7345 -19.7301 -18.0168 -18.0165 -7.8897 -7.8893 -5.0785 -5.0763 -4.7471 -4.7452 -4.3334 -4.3294 -0.5220 -0.5193 0.7894 0.7945 1.7717 1.7767 4.7118 4.7130 10.3791 10.3804 11.4301 11.4358 11.7239 11.7258 k =-0.1750 0.1524 0.7126 ( 3461 PWs) bands (ev): -47.8699 -47.8699 -22.8313 -22.8311 -19.9304 -19.9276 -19.7644 -19.7629 -19.7344 -19.7303 -18.0153 -18.0150 -7.8778 -7.8775 -5.0868 -5.0847 -4.7517 -4.7498 -4.3286 -4.3247 -0.5382 -0.5355 0.7700 0.7749 1.7758 1.7806 4.7067 4.7078 10.3685 10.3697 11.4582 11.4640 11.7584 11.7604 k =-0.1647 0.1435 0.7126 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8312 -22.8310 -19.9308 -19.9281 -19.7650 -19.7636 -19.7344 -19.7305 -18.0138 -18.0135 -7.8661 -7.8658 -5.0952 -5.0932 -4.7558 -4.7539 -4.3241 -4.3202 -0.5538 -0.5512 0.7509 0.7557 1.7797 1.7843 4.7020 4.7031 10.3587 10.3599 11.4835 11.4892 11.7941 11.7961 k =-0.1544 0.1345 0.7126 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8311 -22.8310 -19.9312 -19.9287 -19.7656 -19.7642 -19.7343 -19.7307 -18.0122 -18.0120 -7.8546 -7.8543 -5.1036 -5.1017 -4.7593 -4.7574 -4.3198 -4.3161 -0.5690 -0.5664 0.7324 0.7370 1.7833 1.7878 4.6979 4.6990 10.3497 10.3508 11.5058 11.5115 11.8307 11.8328 k =-0.1441 0.1255 0.7126 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8310 -22.8309 -19.9316 -19.9293 -19.7662 -19.7649 -19.7342 -19.7308 -18.0106 -18.0104 -7.8434 -7.8431 -5.1120 -5.1102 -4.7623 -4.7604 -4.3158 -4.3122 -0.5834 -0.5810 0.7146 0.7190 1.7868 1.7910 4.6943 4.6953 10.3415 10.3425 11.5255 11.5310 11.8681 11.8701 k =-0.1338 0.1166 0.7126 ( 3464 PWs) bands (ev): -47.8699 -47.8699 -22.8309 -22.8308 -19.9320 -19.9298 -19.7668 -19.7656 -19.7341 -19.7310 -18.0091 -18.0088 -7.8325 -7.8323 -5.1203 -5.1187 -4.7647 -4.7629 -4.3121 -4.3087 -0.5972 -0.5948 0.6974 0.7016 1.7900 1.7939 4.6912 4.6921 10.3339 10.3348 11.5427 11.5479 11.9058 11.9077 k =-0.1235 0.1076 0.7126 ( 3462 PWs) bands (ev): -47.8699 -47.8699 -22.8308 -22.8307 -19.9324 -19.9304 -19.7674 -19.7663 -19.7340 -19.7311 -18.0075 -18.0073 -7.8221 -7.8219 -5.1285 -5.1270 -4.7666 -4.7648 -4.3087 -4.3055 -0.6102 -0.6079 0.6811 0.6850 1.7929 1.7966 4.6885 4.6894 10.3271 10.3279 11.5576 11.5625 11.9436 11.9454 k =-0.1132 0.0986 0.7126 ( 3460 PWs) bands (ev): -47.8699 -47.8699 -22.8307 -22.8305 -19.9328 -19.9310 -19.7680 -19.7670 -19.7339 -19.7312 -18.0060 -18.0058 -7.8123 -7.8121 -5.1364 -5.1351 -4.7680 -4.7663 -4.3057 -4.3026 -0.6223 -0.6201 0.6657 0.6694 1.7957 1.7991 4.6861 4.6870 10.3209 10.3217 11.5704 11.5750 11.9810 11.9828 k =-0.1029 0.0897 0.7126 ( 3456 PWs) bands (ev): -47.8699 -47.8699 -22.8305 -22.8304 -19.9332 -19.9316 -19.7686 -19.7676 -19.7338 -19.7314 -18.0046 -18.0044 -7.8030 -7.8028 -5.1441 -5.1428 -4.7690 -4.7674 -4.3029 -4.3001 -0.6335 -0.6315 0.6512 0.6546 1.7982 1.8013 4.6841 4.6849 10.3154 10.3161 11.5813 11.5856 12.0178 12.0194 k =-0.0926 0.0807 0.7126 ( 3450 PWs) bands (ev): -47.8699 -47.8699 -22.8304 -22.8303 -19.9335 -19.9321 -19.7691 -19.7683 -19.7337 -19.7315 -18.0032 -18.0030 -7.7944 -7.7942 -5.1513 -5.1502 -4.7696 -4.7681 -4.3005 -4.2978 -0.6437 -0.6418 0.6379 0.6410 1.8005 1.8033 4.6825 4.6832 10.3104 10.3111 11.5906 11.5946 12.0533 12.0549 k =-0.0823 0.0717 0.7126 ( 3444 PWs) bands (ev): -47.8698 -47.8698 -22.8303 -22.8302 -19.9339 -19.9326 -19.7696 -19.7689 -19.7335 -19.7316 -18.0019 -18.0018 -7.7865 -7.7863 -5.1581 -5.1571 -4.7700 -4.7685 -4.2983 -4.2959 -0.6529 -0.6512 0.6257 0.6285 1.8025 1.8051 4.6811 4.6818 10.3061 10.3066 11.5985 11.6020 12.0873 12.0887 k =-0.0721 0.0628 0.7126 ( 3442 PWs) bands (ev): -47.8698 -47.8698 -22.8302 -22.8301 -19.9342 -19.9331 -19.7701 -19.7694 -19.7334 -19.7317 -18.0008 -18.0006 -7.7793 -7.7792 -5.1643 -5.1634 -4.7700 -4.7688 -4.2964 -4.2943 -0.6611 -0.6596 0.6148 0.6173 1.8044 1.8066 4.6800 4.6805 10.3023 10.3028 11.6050 11.6082 12.1191 12.1204 k =-0.0618 0.0538 0.7126 ( 3450 PWs) bands (ev): -47.8698 -47.8698 -22.8301 -22.8300 -19.9346 -19.9336 -19.7705 -19.7700 -19.7333 -19.7319 -17.9997 -17.9996 -7.7730 -7.7729 -5.1698 -5.1691 -4.7700 -4.7688 -4.2948 -4.2930 -0.6683 -0.6670 0.6052 0.6073 1.8059 1.8079 4.6790 4.6795 10.2991 10.2995 11.6104 11.6131 12.1483 12.1494 k =-0.0515 0.0448 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8300 -22.8299 -19.9348 -19.9341 -19.7709 -19.7704 -19.7332 -19.7320 -17.9988 -17.9987 -7.7676 -7.7675 -5.1746 -5.1740 -4.7698 -4.7688 -4.2935 -4.2919 -0.6743 -0.6732 0.5969 0.5987 1.8073 1.8089 4.6783 4.6787 10.2964 10.2967 11.6148 11.6171 12.1742 12.1752 k =-0.0412 0.0359 0.7126 ( 3454 PWs) bands (ev): -47.8698 -47.8698 -22.8299 -22.8299 -19.9350 -19.9344 -19.7712 -19.7708 -19.7331 -19.7322 -17.9980 -17.9980 -7.7631 -7.7630 -5.1787 -5.1782 -4.7695 -4.7687 -4.2924 -4.2911 -0.6793 -0.6784 0.5901 0.5916 1.8085 1.8098 4.6778 4.6781 10.2942 10.2945 11.6182 11.6201 12.1965 12.1973 k =-0.0309 0.0269 0.7126 ( 3453 PWs) bands (ev): -47.8698 -47.8698 -22.8299 -22.8298 -19.9352 -19.9347 -19.7714 -19.7712 -19.7330 -19.7323 -17.9974 -17.9974 -7.7596 -7.7595 -5.1818 -5.1815 -4.7692 -4.7686 -4.2915 -4.2906 -0.6831 -0.6824 0.5849 0.5860 1.8094 1.8104 4.6774 4.6776 10.2926 10.2928 11.6209 11.6223 12.2144 12.2151 k =-0.0206 0.0179 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9353 -19.9350 -19.7716 -19.7714 -19.7329 -19.7324 -17.9970 -17.9969 -7.7570 -7.7570 -5.1841 -5.1839 -4.7690 -4.7686 -4.2909 -4.2902 -0.6858 -0.6854 0.5811 0.5818 1.8101 1.8108 4.6771 4.6773 10.2914 10.2915 11.6228 11.6237 12.2277 12.2281 k =-0.0103 0.0090 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9353 -19.9352 -19.7717 -19.7716 -19.7328 -19.7325 -17.9967 -17.9967 -7.7555 -7.7555 -5.1855 -5.1854 -4.7688 -4.7685 -4.2904 -4.2901 -0.6874 -0.6872 0.5789 0.5793 1.8106 1.8109 4.6770 4.6771 10.2907 10.2908 11.6240 11.6245 12.2358 12.2361 k = 0.0000 0.0000 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9353 -19.9353 -19.7717 -19.7717 -19.7327 -19.7327 -17.9966 -17.9966 -7.7549 -7.7549 -5.1859 -5.1859 -4.7686 -4.7686 -4.2901 -4.2901 -0.6879 -0.6879 0.5783 0.5783 1.8109 1.8109 4.6770 4.6770 10.2905 10.2905 11.6246 11.6246 12.2387 12.2387 k = 0.0000 0.0000 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9353 -19.9353 -19.7717 -19.7717 -19.7327 -19.7327 -17.9966 -17.9966 -7.7549 -7.7549 -5.1859 -5.1859 -4.7686 -4.7686 -4.2901 -4.2901 -0.6879 -0.6879 0.5783 0.5783 1.8109 1.8109 4.6770 4.6770 10.2905 10.2905 11.6246 11.6246 12.2387 12.2387 k = 0.0089 0.0102 0.7126 ( 3456 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9355 -19.9351 -19.7720 -19.7714 -19.7327 -19.7326 -17.9967 -17.9966 -7.7550 -7.7550 -5.1862 -5.1860 -4.7686 -4.7683 -4.2903 -4.2902 -0.6876 -0.6875 0.5783 0.5784 1.8109 1.8109 4.6768 4.6771 10.2914 10.2916 11.6244 11.6246 12.2360 12.2366 k = 0.0179 0.0205 0.7126 ( 3450 PWs) bands (ev): -47.8698 -47.8698 -22.8298 -22.8298 -19.9356 -19.9348 -19.7722 -19.7710 -19.7327 -19.7325 -17.9967 -17.9966 -7.7552 -7.7552 -5.1868 -5.1864 -4.7682 -4.7677 -4.2907 -4.2905 -0.6868 -0.6866 0.5783 0.5784 1.8111 1.8111 4.6766 4.6771 10.2944 10.2948 11.6239 11.6243 12.2288 12.2298 k = 0.0268 0.0307 0.7126 ( 3446 PWs) bands (ev): -47.8698 -47.8698 -22.8299 -22.8299 -19.9358 -19.9345 -19.7725 -19.7707 -19.7326 -19.7323 -17.9967 -17.9966 -7.7556 -7.7555 -5.1877 -5.1871 -4.7675 -4.7667 -4.2914 -4.2911 -0.6855 -0.6851 0.5784 0.5786 1.8113 1.8113 4.6764 4.6772 10.2994 10.3001 11.6232 11.6238 12.2169 12.2185 k = 0.0357 0.0410 0.7126 ( 3448 PWs) bands (ev): -47.8698 -47.8698 -22.8300 -22.8300 -19.9359 -19.9342 -19.7728 -19.7704 -19.7325 -19.7321 -17.9968 -17.9966 -7.7560 -7.7560 -5.1889 -5.1882 -4.7664 -4.7654 -4.2923 -4.2919 -0.6836 -0.6831 0.5785 0.5787 1.8116 1.8117 4.6761 4.6771 10.3065 10.3073 11.6222 11.6230 12.2007 12.2028 k = 0.0446 0.0512 0.7126 ( 3442 PWs) bands (ev): -47.8698 -47.8698 -22.8301 -22.8301 -19.9361 -19.9339 -19.7730 -19.7701 -19.7324 -19.7318 -17.9968 -17.9966 -7.7566 -7.7565 -5.1904 -5.1895 -4.7651 -4.7638 -4.2934 -4.2929 -0.6812 -0.6806 0.5787 0.5789 1.8121 1.8121 4.6758 4.6771 10.3156 10.3166 11.6209 11.6219 12.1803 12.1829 k = 0.0536 0.0615 0.7126 ( 3442 PWs) bands (ev): -47.8698 -47.8698 -22.8303 -22.8303 -19.9362 -19.9336 -19.7732 -19.7697 -19.7322 -19.7315 -17.9969 -17.9966 -7.7573 -7.7572 -5.1922 -5.1911 -4.7634 -4.7619 -4.2947 -4.2941 -0.6784 -0.6776 0.5788 0.5791 1.8125 1.8125 4.6754 4.6769 10.3267 10.3279 11.6195 11.6207 12.1561 12.1591 k = 0.0625 0.0717 0.7126 ( 3450 PWs) bands (ev): -47.8698 -47.8698 -22.8305 -22.8305 -19.9363 -19.9333 -19.7735 -19.7694 -19.7320 -19.7313 -17.9970 -17.9966 -7.7581 -7.7580 -5.1942 -5.1930 -4.7616 -4.7598 -4.2962 -4.2956 -0.6751 -0.6742 0.5790 0.5793 1.8130 1.8130 4.6750 4.6768 10.3397 10.3411 11.6178 11.6191 12.1282 12.1317 k = 0.0714 0.0820 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8307 -22.8307 -19.9364 -19.9330 -19.7737 -19.7691 -19.7318 -19.7309 -17.9971 -17.9967 -7.7590 -7.7589 -5.1965 -5.1950 -4.7595 -4.7575 -4.2979 -4.2972 -0.6714 -0.6704 0.5792 0.5796 1.8136 1.8136 4.6746 4.6766 10.3547 10.3563 11.6159 11.6174 12.0971 12.1010 k = 0.0804 0.0922 0.7126 ( 3456 PWs) bands (ev): -47.8698 -47.8698 -22.8309 -22.8309 -19.9364 -19.9327 -19.7740 -19.7688 -19.7316 -19.7306 -17.9971 -17.9967 -7.7600 -7.7599 -5.1989 -5.1973 -4.7572 -4.7550 -4.2997 -4.2989 -0.6673 -0.6662 0.5794 0.5798 1.8143 1.8143 4.6741 4.6764 10.3715 10.3733 11.6138 11.6155 12.0631 12.0673 k = 0.0893 0.1025 0.7126 ( 3456 PWs) bands (ev): -47.8698 -47.8698 -22.8312 -22.8312 -19.9365 -19.9323 -19.7742 -19.7685 -19.7313 -19.7302 -17.9972 -17.9967 -7.7611 -7.7609 -5.2014 -5.1997 -4.7547 -4.7524 -4.3017 -4.3008 -0.6630 -0.6617 0.5797 0.5801 1.8150 1.8150 4.6737 4.6761 10.3902 10.3922 11.6116 11.6135 12.0264 12.0309 k = 0.0982 0.1127 0.7126 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8314 -22.8314 -19.9365 -19.9320 -19.7744 -19.7681 -19.7310 -19.7298 -17.9973 -17.9968 -7.7622 -7.7620 -5.2040 -5.2022 -4.7522 -4.7497 -4.3037 -4.3028 -0.6584 -0.6570 0.5800 0.5804 1.8158 1.8158 4.6732 4.6759 10.4106 10.4128 11.6092 11.6113 11.9875 11.9923 k = 0.1071 0.1230 0.7126 ( 3456 PWs) bands (ev): -47.8698 -47.8698 -22.8317 -22.8317 -19.9365 -19.9317 -19.7745 -19.7678 -19.7307 -19.7294 -17.9974 -17.9968 -7.7634 -7.7632 -5.2067 -5.2048 -4.7496 -4.7469 -4.3059 -4.3048 -0.6536 -0.6521 0.5803 0.5808 1.8166 1.8166 4.6727 4.6756 10.4327 10.4351 11.6067 11.6089 11.9467 11.9518 k = 0.1161 0.1332 0.7126 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8319 -22.8319 -19.9365 -19.9313 -19.7747 -19.7675 -19.7304 -19.7290 -17.9975 -17.9969 -7.7646 -7.7644 -5.2095 -5.2074 -4.7469 -4.7440 -4.3080 -4.3069 -0.6487 -0.6472 0.5806 0.5811 1.8174 1.8174 4.6722 4.6753 10.4565 10.4590 11.6041 11.6065 11.9043 11.9096 k = 0.1250 0.1435 0.7126 ( 3456 PWs) bands (ev): -47.8698 -47.8698 -22.8322 -22.8322 -19.9365 -19.9310 -19.7749 -19.7672 -19.7300 -19.7285 -17.9976 -17.9969 -7.7658 -7.7656 -5.2122 -5.2100 -4.7442 -4.7412 -4.3102 -4.3091 -0.6438 -0.6421 0.5809 0.5814 1.8183 1.8183 4.6717 4.6750 10.4817 10.4844 11.6015 11.6039 11.8607 11.8662 k = 0.1339 0.1537 0.7126 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8325 -22.8325 -19.9365 -19.9307 -19.7750 -19.7669 -19.7297 -19.7281 -17.9977 -17.9970 -7.7670 -7.7668 -5.2149 -5.2126 -4.7415 -4.7384 -4.3124 -4.3112 -0.6388 -0.6371 0.5812 0.5818 1.8191 1.8191 4.6712 4.6746 10.5083 10.5112 11.5988 11.6014 11.8161 11.8218 k = 0.1429 0.1640 0.7126 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8328 -22.8328 -19.9365 -19.9304 -19.7752 -19.7667 -19.7293 -19.7277 -17.9978 -17.9970 -7.7682 -7.7680 -5.2175 -5.2152 -4.7389 -4.7357 -4.3145 -4.3133 -0.6340 -0.6322 0.5815 0.5821 1.8200 1.8200 4.6707 4.6743 10.5362 10.5392 11.5961 11.5988 11.7709 11.7768 k = 0.1518 0.1742 0.7126 ( 3460 PWs) bands (ev): -47.8698 -47.8698 -22.8330 -22.8330 -19.9365 -19.9301 -19.7753 -19.7664 -19.7290 -19.7273 -17.9978 -17.9971 -7.7694 -7.7691 -5.2200 -5.2176 -4.7364 -4.7330 -4.3166 -4.3153 -0.6293 -0.6273 0.5818 0.5824 1.8208 1.8208 4.6703 4.6740 10.5652 10.5682 11.5934 11.5963 11.7255 11.7316 k = 0.1607 0.1845 0.7126 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8333 -22.8333 -19.9365 -19.9298 -19.7755 -19.7662 -19.7287 -19.7269 -17.9979 -17.9972 -7.7705 -7.7702 -5.2224 -5.2200 -4.7340 -4.7306 -4.3186 -4.3172 -0.6247 -0.6227 0.5821 0.5827 1.8216 1.8216 4.6698 4.6737 10.5950 10.5982 11.5908 11.5938 11.6802 11.6864 k = 0.1696 0.1947 0.7126 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8335 -22.8335 -19.9365 -19.9296 -19.7756 -19.7660 -19.7284 -19.7265 -17.9980 -17.9972 -7.7715 -7.7713 -5.2247 -5.2222 -4.7318 -4.7282 -4.3205 -4.3191 -0.6204 -0.6184 0.5823 0.5830 1.8224 1.8224 4.6694 4.6734 10.6254 10.6287 11.5884 11.5914 11.6354 11.6417 k = 0.1786 0.2050 0.7126 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8337 -22.8337 -19.9364 -19.9293 -19.7757 -19.7659 -19.7281 -19.7261 -17.9981 -17.9972 -7.7725 -7.7723 -5.2268 -5.2243 -4.7297 -4.7261 -4.3222 -4.3208 -0.6164 -0.6143 0.5826 0.5833 1.8231 1.8231 4.6690 4.6731 10.6561 10.6595 11.5859 11.5891 11.5917 11.5980 k = 0.1875 0.2152 0.7126 ( 3476 PWs) bands (ev): -47.8699 -47.8699 -22.8340 -22.8340 -19.9364 -19.9291 -19.7758 -19.7657 -19.7279 -19.7259 -17.9981 -17.9973 -7.7734 -7.7732 -5.2287 -5.2261 -4.7278 -4.7241 -4.3239 -4.3224 -0.6128 -0.6106 0.5828 0.5836 1.8237 1.8238 4.6686 4.6729 10.6867 10.6901 11.5492 11.5557 11.5839 11.5871 k = 0.1964 0.2255 0.7126 ( 3476 PWs) bands (ev): -47.8699 -47.8699 -22.8341 -22.8341 -19.9364 -19.9290 -19.7759 -19.7656 -19.7276 -19.7256 -17.9982 -17.9973 -7.7743 -7.7740 -5.2304 -5.2277 -4.7261 -4.7224 -4.3253 -4.3237 -0.6095 -0.6073 0.5830 0.5838 1.8244 1.8244 4.6683 4.6726 10.7165 10.7199 11.5089 11.5155 11.5819 11.5852 k = 0.2054 0.2357 0.7126 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8343 -22.8343 -19.9364 -19.9288 -19.7759 -19.7654 -19.7274 -19.7253 -17.9982 -17.9974 -7.7749 -7.7747 -5.2318 -5.2291 -4.7247 -4.7209 -4.3265 -4.3249 -0.6067 -0.6045 0.5832 0.5840 1.8249 1.8249 4.6680 4.6725 10.7449 10.7484 11.4716 11.4783 11.5802 11.5835 k = 0.2143 0.2460 0.7126 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8344 -22.8344 -19.9363 -19.9286 -19.7760 -19.7653 -19.7271 -19.7250 -17.9983 -17.9974 -7.7755 -7.7752 -5.2330 -5.2303 -4.7235 -4.7196 -4.3275 -4.3259 -0.6043 -0.6021 0.5834 0.5842 1.8253 1.8253 4.6678 4.6723 10.7710 10.7744 11.4381 11.4450 11.5788 11.5821 k = 0.2232 0.2562 0.7126 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8345 -22.8345 -19.9363 -19.9285 -19.7760 -19.7652 -19.7270 -19.7248 -17.9983 -17.9974 -7.7760 -7.7757 -5.2339 -5.2312 -4.7225 -4.7186 -4.3283 -4.3267 -0.6025 -0.6002 0.5835 0.5843 1.8257 1.8257 4.6676 4.6722 10.7935 10.7969 11.4098 11.4168 11.5777 11.5810 k = 0.2321 0.2665 0.7126 ( 3462 PWs) bands (ev): -47.8698 -47.8698 -22.8346 -22.8346 -19.9363 -19.9284 -19.7760 -19.7651 -19.7269 -19.7247 -17.9983 -17.9974 -7.7763 -7.7760 -5.2346 -5.2319 -4.7218 -4.7179 -4.3289 -4.3273 -0.6011 -0.5988 0.5836 0.5844 1.8260 1.8260 4.6675 4.6721 10.8111 10.8144 11.3881 11.3951 11.5769 11.5802 k = 0.2411 0.2767 0.7126 ( 3454 PWs) bands (ev): -47.8698 -47.8698 -22.8346 -22.8346 -19.9362 -19.9283 -19.7760 -19.7651 -19.7268 -19.7246 -17.9983 -17.9974 -7.7765 -7.7762 -5.2350 -5.2323 -4.7214 -4.7175 -4.3292 -4.3276 -0.6003 -0.5979 0.5837 0.5845 1.8261 1.8262 4.6674 4.6720 10.8224 10.8257 11.3743 11.3814 11.5764 11.5798 k = 0.2500 0.2870 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8346 -22.8346 -19.9362 -19.9283 -19.7760 -19.7650 -19.7267 -19.7245 -17.9983 -17.9974 -7.7766 -7.7763 -5.2351 -5.2324 -4.7213 -4.7173 -4.3293 -4.3277 -0.6000 -0.5977 0.5837 0.5845 1.8262 1.8262 4.6674 4.6720 10.8263 10.8296 11.3696 11.3766 11.5762 11.5796 k = 0.2500 0.2870 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8346 -22.8346 -19.9362 -19.9283 -19.7760 -19.7650 -19.7267 -19.7245 -17.9983 -17.9974 -7.7766 -7.7763 -5.2351 -5.2324 -4.7213 -4.7173 -4.3293 -4.3277 -0.6000 -0.5977 0.5837 0.5845 1.8262 1.8262 4.6674 4.6720 10.8263 10.8296 11.3696 11.3766 11.5762 11.5796 k = 0.2417 0.2942 0.7051 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8347 -22.8347 -19.9362 -19.9283 -19.7760 -19.7650 -19.7267 -19.7246 -17.9984 -17.9975 -7.7770 -7.7767 -5.2346 -5.2319 -4.7217 -4.7178 -4.3293 -4.3276 -0.5999 -0.5976 0.5847 0.5856 1.8260 1.8260 4.6672 4.6717 10.8253 10.8285 11.3486 11.3547 11.5999 11.6024 k = 0.2333 0.3015 0.6976 ( 3462 PWs) bands (ev): -47.8698 -47.8698 -22.8348 -22.8348 -19.9361 -19.9282 -19.7758 -19.7649 -19.7267 -19.7246 -17.9985 -17.9976 -7.7784 -7.7781 -5.2329 -5.2302 -4.7230 -4.7191 -4.3290 -4.3273 -0.5994 -0.5971 0.5879 0.5888 1.8253 1.8255 4.6665 4.6711 10.8221 10.8254 11.3014 11.3063 11.6538 11.6549 k = 0.2250 0.3087 0.6901 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8349 -22.8349 -19.9358 -19.9280 -19.7756 -19.7647 -19.7267 -19.7246 -17.9988 -17.9979 -7.7806 -7.7803 -5.2302 -5.2275 -4.7252 -4.7212 -4.3287 -4.3268 -0.5987 -0.5964 0.5932 0.5941 1.8243 1.8245 4.6655 4.6700 10.8168 10.8199 11.2455 11.2497 11.7195 11.7198 k = 0.2167 0.3160 0.6825 ( 3464 PWs) bands (ev): -47.8699 -47.8699 -22.8351 -22.8351 -19.9355 -19.9277 -19.7752 -19.7644 -19.7267 -19.7245 -17.9991 -17.9982 -7.7836 -7.7833 -5.2264 -5.2237 -4.7281 -4.7240 -4.3282 -4.3262 -0.5977 -0.5954 0.6005 0.6014 1.8229 1.8232 4.6640 4.6685 10.8092 10.8121 11.1879 11.1917 11.7901 11.7905 k = 0.2083 0.3233 0.6750 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8354 -22.8354 -19.9351 -19.9274 -19.7747 -19.7641 -19.7267 -19.7245 -17.9995 -17.9987 -7.7875 -7.7872 -5.2217 -5.2190 -4.7316 -4.7275 -4.3278 -4.3256 -0.5964 -0.5942 0.6098 0.6107 1.8212 1.8215 4.6620 4.6665 10.7988 10.8016 11.1313 11.1350 11.8632 11.8640 k = 0.2000 0.3305 0.6675 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8357 -22.8357 -19.9345 -19.9270 -19.7741 -19.7636 -19.7266 -19.7244 -18.0000 -17.9992 -7.7920 -7.7918 -5.2161 -5.2134 -4.7357 -4.7315 -4.3273 -4.3249 -0.5947 -0.5926 0.6209 0.6218 1.8191 1.8195 4.6597 4.6641 10.7855 10.7879 11.0774 11.0810 11.9377 11.9390 k = 0.1917 0.3378 0.6600 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8361 -22.8360 -19.9339 -19.9266 -19.7734 -19.7630 -19.7265 -19.7244 -18.0006 -17.9998 -7.7973 -7.7970 -5.2097 -5.2070 -4.7401 -4.7358 -4.3270 -4.3244 -0.5928 -0.5908 0.6337 0.6347 1.8167 1.8172 4.6571 4.6614 10.7687 10.7708 11.0270 11.0308 12.0129 12.0146 k = 0.1833 0.3450 0.6524 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8365 -22.8364 -19.9333 -19.9261 -19.7726 -19.7624 -19.7264 -19.7243 -18.0013 -18.0004 -7.8032 -7.8029 -5.2026 -5.1999 -4.7448 -4.7404 -4.3268 -4.3241 -0.5906 -0.5886 0.6481 0.6491 1.8140 1.8145 4.6540 4.6583 10.7478 10.7495 10.9813 10.9853 12.0881 12.0901 k = 0.1750 0.3523 0.6449 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8369 -22.8369 -19.9325 -19.9255 -19.7717 -19.7618 -19.7263 -19.7242 -18.0020 -18.0011 -7.8097 -7.8094 -5.1950 -5.1923 -4.7495 -4.7450 -4.3269 -4.3240 -0.5881 -0.5862 0.6640 0.6650 1.8110 1.8116 4.6507 4.6549 10.7225 10.7239 10.9408 10.9450 12.1625 12.1649 k = 0.1667 0.3596 0.6374 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8374 -22.8374 -19.9317 -19.9249 -19.7707 -19.7611 -19.7262 -19.7241 -18.0027 -18.0019 -7.8166 -7.8163 -5.1870 -5.1843 -4.7541 -4.7495 -4.3273 -4.3242 -0.5853 -0.5835 0.6810 0.6821 1.8078 1.8084 4.6470 4.6511 10.6927 10.6939 10.9057 10.9101 12.2355 12.2384 k = 0.1583 0.3668 0.6298 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8379 -22.8379 -19.9309 -19.9243 -19.7697 -19.7603 -19.7261 -19.7240 -18.0036 -18.0028 -7.8239 -7.8237 -5.1787 -5.1760 -4.7584 -4.7537 -4.3281 -4.3249 -0.5822 -0.5805 0.6991 0.7003 1.8043 1.8050 4.6431 4.6471 10.6592 10.6603 10.8756 10.8800 12.3064 12.3097 k = 0.1500 0.3741 0.6223 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8384 -22.8384 -19.9300 -19.9237 -19.7686 -19.7595 -19.7259 -19.7239 -18.0044 -18.0037 -7.8315 -7.8313 -5.1704 -5.1677 -4.7622 -4.7575 -4.3293 -4.3259 -0.5789 -0.5773 0.7181 0.7193 1.8008 1.8015 4.6389 4.6428 10.6232 10.6242 10.8496 10.8540 12.3742 12.3779 k = 0.1417 0.3813 0.6148 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8389 -22.8389 -19.9291 -19.9230 -19.7674 -19.7587 -19.7257 -19.7237 -18.0053 -18.0046 -7.8394 -7.8391 -5.1621 -5.1594 -4.7655 -4.7607 -4.3309 -4.3275 -0.5754 -0.5739 0.7378 0.7390 1.7970 1.7978 4.6346 4.6383 10.5857 10.5868 10.8266 10.8309 12.4381 12.4422 k = 0.1333 0.3886 0.6073 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8395 -22.8395 -19.9282 -19.9224 -19.7663 -19.7579 -19.7255 -19.7236 -18.0062 -18.0055 -7.8473 -7.8471 -5.1541 -5.1514 -4.7680 -4.7631 -4.3331 -4.3296 -0.5717 -0.5703 0.7579 0.7591 1.7932 1.7941 4.6301 4.6337 10.5480 10.5490 10.8057 10.8099 12.4970 12.5016 k = 0.1250 0.3959 0.5997 ( 3470 PWs) bands (ev): -47.8699 -47.8699 -22.8401 -22.8401 -19.9273 -19.9218 -19.7651 -19.7571 -19.7253 -19.7234 -18.0072 -18.0065 -7.8553 -7.8551 -5.1464 -5.1438 -4.7696 -4.7647 -4.3357 -4.3322 -0.5679 -0.5666 0.7782 0.7794 1.7894 1.7902 4.6255 4.6290 10.5107 10.5117 10.7865 10.7905 12.5503 12.5552 k = 0.1167 0.4031 0.5922 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8406 -22.8406 -19.9264 -19.9212 -19.7639 -19.7563 -19.7251 -19.7233 -18.0081 -18.0075 -7.8632 -7.8630 -5.1392 -5.1367 -4.7702 -4.7654 -4.3388 -4.3352 -0.5639 -0.5627 0.7985 0.7998 1.7855 1.7864 4.6209 4.6242 10.4746 10.4755 10.7684 10.7722 12.5971 12.6022 k = 0.1083 0.4104 0.5847 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8412 -22.8412 -19.9255 -19.9206 -19.7627 -19.7555 -19.7248 -19.7231 -18.0090 -18.0084 -7.8710 -7.8709 -5.1327 -5.1303 -4.7698 -4.7650 -4.3423 -4.3388 -0.5599 -0.5588 0.8187 0.8199 1.7817 1.7825 4.6162 4.6194 10.4399 10.4408 10.7512 10.7548 12.6371 12.6423 k = 0.1000 0.4176 0.5772 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8417 -22.8417 -19.9246 -19.9200 -19.7615 -19.7548 -19.7246 -19.7229 -18.0099 -18.0094 -7.8786 -7.8785 -5.1269 -5.1245 -4.7684 -4.7637 -4.3463 -4.3428 -0.5559 -0.5549 0.8384 0.8397 1.7779 1.7788 4.6117 4.6146 10.4070 10.4079 10.7349 10.7382 12.6701 12.6753 k = 0.0917 0.4249 0.5696 ( 3464 PWs) bands (ev): -47.8699 -47.8699 -22.8422 -22.8422 -19.9237 -19.9195 -19.7603 -19.7541 -19.7243 -19.7228 -18.0108 -18.0103 -7.8859 -7.8858 -5.1218 -5.1196 -4.7659 -4.7614 -4.3506 -4.3472 -0.5519 -0.5510 0.8575 0.8588 1.7743 1.7751 4.6072 4.6100 10.3762 10.3771 10.7194 10.7225 12.6966 12.7015 k = 0.0833 0.4322 0.5621 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8427 -22.8427 -19.9230 -19.9191 -19.7592 -19.7535 -19.7240 -19.7226 -18.0116 -18.0112 -7.8928 -7.8927 -5.1175 -5.1155 -4.7626 -4.7583 -4.3552 -4.3519 -0.5481 -0.5473 0.8758 0.8770 1.7708 1.7716 4.6029 4.6055 10.3476 10.3484 10.7048 10.7077 12.7171 12.7217 k = 0.0750 0.4394 0.5546 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8432 -22.8432 -19.9222 -19.9187 -19.7581 -19.7529 -19.7238 -19.7224 -18.0124 -18.0120 -7.8993 -7.8992 -5.1140 -5.1121 -4.7585 -4.7544 -4.3600 -4.3568 -0.5444 -0.5437 0.8930 0.8941 1.7675 1.7683 4.5989 4.6012 10.3214 10.3221 10.6912 10.6938 12.7324 12.7367 k = 0.0667 0.4467 0.5470 ( 3474 PWs) bands (ev): -47.8699 -47.8699 -22.8436 -22.8436 -19.9214 -19.9183 -19.7571 -19.7525 -19.7235 -19.7223 -18.0131 -18.0128 -7.9053 -7.9052 -5.1111 -5.1094 -4.7539 -4.7500 -4.3648 -4.3618 -0.5409 -0.5403 0.9090 0.9101 1.7644 1.7651 4.5951 4.5972 10.2977 10.2983 10.6787 10.6810 12.7434 12.7473 k = 0.0583 0.4539 0.5395 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8440 -22.8440 -19.9207 -19.9180 -19.7561 -19.7520 -19.7232 -19.7222 -18.0138 -18.0135 -7.9107 -7.9106 -5.1088 -5.1073 -4.7488 -4.7453 -4.3696 -4.3668 -0.5377 -0.5371 0.9236 0.9246 1.7616 1.7623 4.5916 4.5935 10.2765 10.2771 10.6673 10.6693 12.7510 12.7544 k = 0.0500 0.4612 0.5320 ( 3478 PWs) bands (ev): -47.8699 -47.8699 -22.8444 -22.8444 -19.9201 -19.9178 -19.7552 -19.7517 -19.7230 -19.7221 -18.0144 -18.0141 -7.9155 -7.9154 -5.1071 -5.1058 -4.7437 -4.7405 -4.3742 -4.3717 -0.5348 -0.5343 0.9366 0.9375 1.7591 1.7597 4.5885 4.5901 10.2580 10.2585 10.6571 10.6589 12.7560 12.7589 k = 0.0417 0.4685 0.5245 ( 3482 PWs) bands (ev): -47.8699 -47.8699 -22.8447 -22.8447 -19.9196 -19.9176 -19.7544 -19.7515 -19.7228 -19.7220 -18.0149 -18.0146 -7.9196 -7.9195 -5.1058 -5.1047 -4.7387 -4.7359 -4.3784 -4.3763 -0.5323 -0.5319 0.9479 0.9487 1.7569 1.7575 4.5859 4.5872 10.2422 10.2426 10.6484 10.6499 12.7591 12.7615 k = 0.0333 0.4757 0.5169 ( 3482 PWs) bands (ev): -47.8699 -47.8699 -22.8449 -22.8449 -19.9191 -19.9175 -19.7537 -19.7513 -19.7225 -19.7219 -18.0153 -18.0151 -7.9231 -7.9230 -5.1048 -5.1039 -4.7341 -4.7318 -4.3821 -4.3803 -0.5301 -0.5298 0.9574 0.9580 1.7552 1.7556 4.5836 4.5847 10.2292 10.2296 10.6411 10.6423 12.7608 12.7628 k = 0.0250 0.4830 0.5094 ( 3478 PWs) bands (ev): -47.8699 -47.8699 -22.8451 -22.8451 -19.9186 -19.9174 -19.7530 -19.7513 -19.7223 -19.7219 -18.0156 -18.0155 -7.9258 -7.9257 -5.1042 -5.1035 -4.7301 -4.7283 -4.3851 -4.3837 -0.5284 -0.5282 0.9649 0.9654 1.7538 1.7541 4.5819 4.5827 10.2190 10.2193 10.6354 10.6363 12.7618 12.7632 k = 0.0167 0.4902 0.5019 ( 3478 PWs) bands (ev): -47.8699 -47.8699 -22.8453 -22.8453 -19.9182 -19.9174 -19.7525 -19.7513 -19.7222 -19.7218 -18.0158 -18.0157 -7.9277 -7.9277 -5.1037 -5.1032 -4.7270 -4.7258 -4.3873 -4.3863 -0.5272 -0.5270 0.9704 0.9707 1.7528 1.7530 4.5807 4.5812 10.2118 10.2120 10.6313 10.6319 12.7623 12.7632 k = 0.0083 0.4975 0.4943 ( 3476 PWs) bands (ev): -47.8699 -47.8699 -22.8454 -22.8454 -19.9179 -19.9175 -19.7520 -19.7514 -19.7220 -19.7219 -18.0160 -18.0159 -7.9289 -7.9289 -5.1034 -5.1032 -4.7249 -4.7243 -4.3886 -4.3881 -0.5264 -0.5263 0.9737 0.9738 1.7522 1.7523 4.5800 4.5803 10.2074 10.2075 10.6289 10.6292 12.7625 12.7630 k = 0.0000 0.5048 0.4868 ( 3480 PWs) bands (ev): -47.8699 -47.8699 -22.8454 -22.8454 -19.9177 -19.9177 -19.7517 -19.7517 -19.7219 -19.7219 -18.0160 -18.0160 -7.9293 -7.9293 -5.1032 -5.1032 -4.7241 -4.7241 -4.3888 -4.3888 -0.5261 -0.5261 0.9748 0.9748 1.7520 1.7520 4.5799 4.5799 10.2060 10.2060 10.6282 10.6282 12.7628 12.7628 k = 0.0000 0.5048 0.4868 ( 3480 PWs) bands (ev): -47.8699 -47.8699 -22.8454 -22.8454 -19.9177 -19.9177 -19.7517 -19.7517 -19.7219 -19.7219 -18.0160 -18.0160 -7.9293 -7.9293 -5.1032 -5.1032 -4.7241 -4.7241 -4.3888 -4.3888 -0.5261 -0.5261 0.9748 0.9748 1.7520 1.7520 4.5799 4.5799 10.2060 10.2060 10.6282 10.6282 12.7628 12.7628 k = 0.0104 0.5105 0.4808 ( 3480 PWs) bands (ev): -47.8699 -47.8699 -22.8454 -22.8454 -19.9178 -19.9176 -19.7517 -19.7517 -19.7221 -19.7218 -18.0160 -18.0160 -7.9294 -7.9294 -5.1032 -5.1030 -4.7240 -4.7239 -4.3889 -4.3887 -0.5259 -0.5258 0.9749 0.9750 1.7519 1.7519 4.5801 4.5801 10.2067 10.2067 10.6285 10.6287 12.7612 12.7613 k = 0.0208 0.5163 0.4749 ( 3476 PWs) bands (ev): -47.8699 -47.8699 -22.8453 -22.8453 -19.9180 -19.9175 -19.7518 -19.7517 -19.7222 -19.7218 -18.0161 -18.0161 -7.9298 -7.9298 -5.1030 -5.1026 -4.7237 -4.7236 -4.3889 -4.3884 -0.5251 -0.5249 0.9751 0.9753 1.7514 1.7515 4.5807 4.5808 10.2088 10.2088 10.6297 10.6301 12.7565 12.7566 k = 0.0313 0.5221 0.4689 ( 3475 PWs) bands (ev): -47.8699 -47.8699 -22.8452 -22.8451 -19.9182 -19.9175 -19.7518 -19.7518 -19.7225 -19.7218 -18.0162 -18.0162 -7.9305 -7.9304 -5.1027 -5.1021 -4.7231 -4.7231 -4.3888 -4.3881 -0.5237 -0.5234 0.9755 0.9758 1.7508 1.7509 4.5818 4.5820 10.2122 10.2123 10.6318 10.6323 12.7487 12.7489 k = 0.0417 0.5278 0.4629 ( 3473 PWs) bands (ev): -47.8699 -47.8699 -22.8450 -22.8449 -19.9184 -19.9174 -19.7519 -19.7519 -19.7227 -19.7218 -18.0163 -18.0163 -7.9314 -7.9313 -5.1021 -5.1013 -4.7224 -4.7223 -4.3887 -4.3877 -0.5218 -0.5214 0.9761 0.9765 1.7498 1.7499 4.5833 4.5836 10.2170 10.2172 10.6347 10.6353 12.7378 12.7382 k = 0.0521 0.5336 0.4569 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8447 -22.8447 -19.9186 -19.9175 -19.7520 -19.7520 -19.7230 -19.7218 -18.0165 -18.0165 -7.9326 -7.9325 -5.1013 -5.1004 -4.7215 -4.7214 -4.3884 -4.3872 -0.5194 -0.5189 0.9768 0.9773 1.7486 1.7488 4.5852 4.5856 10.2232 10.2234 10.6383 10.6392 12.7239 12.7244 k = 0.0625 0.5394 0.4510 ( 3472 PWs) bands (ev): -47.8699 -47.8699 -22.8444 -22.8444 -19.9189 -19.9175 -19.7522 -19.7521 -19.7234 -19.7220 -18.0167 -18.0167 -7.9340 -7.9339 -5.1004 -5.0993 -4.7204 -4.7202 -4.3882 -4.3868 -0.5164 -0.5158 0.9777 0.9784 1.7472 1.7474 4.5876 4.5881 10.2307 10.2310 10.6428 10.6438 12.7071 12.7076 k = 0.0730 0.5451 0.4450 ( 3468 PWs) bands (ev): -47.8699 -47.8699 -22.8441 -22.8440 -19.9192 -19.9176 -19.7524 -19.7522 -19.7238 -19.7221 -18.0169 -18.0169 -7.9357 -7.9356 -5.0992 -5.0980 -4.7190 -4.7189 -4.3879 -4.3862 -0.5129 -0.5122 0.9789 0.9796 1.7455 1.7457 4.5905 4.5911 10.2395 10.2399 10.6480 10.6491 12.6873 12.6879 k = 0.0834 0.5509 0.4390 ( 3467 PWs) bands (ev): -47.8699 -47.8699 -22.8437 -22.8436 -19.9195 -19.9176 -19.7525 -19.7523 -19.7242 -19.7223 -18.0172 -18.0172 -7.9377 -7.9375 -5.0979 -5.0964 -4.7175 -4.7174 -4.3875 -4.3857 -0.5089 -0.5081 0.9802 0.9810 1.7436 1.7439 4.5939 4.5945 10.2496 10.2500 10.6538 10.6551 12.6647 12.6654 k = 0.0938 0.5566 0.4330 ( 3465 PWs) bands (ev): -47.8699 -47.8699 -22.8432 -22.8431 -19.9198 -19.9178 -19.7527 -19.7525 -19.7247 -19.7225 -18.0175 -18.0175 -7.9398 -7.9396 -5.0963 -5.0947 -4.7159 -4.7157 -4.3872 -4.3851 -0.5044 -0.5035 0.9816 0.9825 1.7416 1.7419 4.5977 4.5984 10.2610 10.2614 10.6603 10.6618 12.6392 12.6401 k = 0.1042 0.5624 0.4270 ( 3471 PWs) bands (ev): -47.8699 -47.8699 -22.8428 -22.8427 -19.9202 -19.9180 -19.7530 -19.7527 -19.7252 -19.7228 -18.0179 -18.0179 -7.9422 -7.9420 -5.0944 -5.0927 -4.7140 -4.7138 -4.3869 -4.3846 -0.4994 -0.4984 0.9833 0.9843 1.7394 1.7398 4.6021 4.6028 10.2736 10.2741 10.6674 10.6690 12.6110 12.6119 k = 0.1147 0.5682 0.4211 ( 3465 PWs) bands (ev): -47.8699 -47.8699 -22.8422 -22.8421 -19.9206 -19.9181 -19.7533 -19.7529 -19.7257 -19.7231 -18.0183 -18.0183 -7.9449 -7.9446 -5.0923 -5.0904 -4.7120 -4.7118 -4.3866 -4.3841 -0.4939 -0.4928 0.9851 0.9862 1.7371 1.7375 4.6069 4.6077 10.2873 10.2879 10.6749 10.6767 12.5800 12.5811 k = 0.1251 0.5739 0.4151 ( 3469 PWs) bands (ev): -47.8699 -47.8699 -22.8417 -22.8416 -19.9210 -19.9184 -19.7536 -19.7532 -19.7263 -19.7234 -18.0187 -18.0187 -7.9477 -7.9474 -5.0900 -5.0880 -4.7099 -4.7097 -4.3863 -4.3837 -0.4880 -0.4868 0.9871 0.9883 1.7347 1.7351 4.6122 4.6130 10.3022 10.3028 10.6829 10.6849 12.5464 12.5476 k = 0.1355 0.5797 0.4091 ( 3471 PWs) bands (ev): -47.8699 -47.8699 -22.8411 -22.8410 -19.9214 -19.9186 -19.7539 -19.7534 -19.7269 -19.7237 -18.0191 -18.0191 -7.9508 -7.9505 -5.0874 -5.0852 -4.7077 -4.7074 -4.3861 -4.3833 -0.4816 -0.4804 0.9893 0.9906 1.7322 1.7326 4.6180 4.6189 10.3182 10.3188 10.6913 10.6934 12.5101 12.5114 k = 0.1459 0.5855 0.4031 ( 3465 PWs) bands (ev): -47.8699 -47.8699 -22.8405 -22.8403 -19.9218 -19.9188 -19.7542 -19.7536 -19.7274 -19.7240 -18.0196 -18.0196 -7.9540 -7.9537 -5.0845 -5.0822 -4.7053 -4.7050 -4.3860 -4.3830 -0.4749 -0.4735 0.9916 0.9930 1.7296 1.7301 4.6244 4.6253 10.3352 10.3358 10.7001 10.7023 12.4712 12.4726 k = 0.1563 0.5912 0.3972 ( 3469 PWs) bands (ev): -47.8699 -47.8699 -22.8399 -22.8397 -19.9222 -19.9191 -19.7546 -19.7539 -19.7280 -19.7244 -18.0200 -18.0200 -7.9574 -7.9571 -5.0814 -5.0790 -4.7028 -4.7026 -4.3859 -4.3828 -0.4678 -0.4663 0.9941 0.9956 1.7270 1.7275 4.6312 4.6323 10.3531 10.3538 10.7091 10.7114 12.4296 12.4312 k = 0.1668 0.5970 0.3912 ( 3457 PWs) bands (ev): -47.8699 -47.8699 -22.8392 -22.8390 -19.9226 -19.9194 -19.7550 -19.7542 -19.7285 -19.7247 -18.0205 -18.0205 -7.9610 -7.9607 -5.0780 -5.0754 -4.7003 -4.7000 -4.3860 -4.3827 -0.4603 -0.4588 0.9969 0.9984 1.7245 1.7250 4.6386 4.6397 10.3719 10.3726 10.7183 10.7207 12.3855 12.3871 k = 0.1772 0.6028 0.3852 ( 3451 PWs) bands (ev): -47.8699 -47.8699 -22.8386 -22.8384 -19.9231 -19.9197 -19.7554 -19.7545 -19.7291 -19.7250 -18.0210 -18.0210 -7.9648 -7.9644 -5.0742 -5.0716 -4.6976 -4.6973 -4.3862 -4.3827 -0.4525 -0.4509 0.9997 1.0013 1.7220 1.7225 4.6465 4.6477 10.3914 10.3921 10.7277 10.7301 12.3387 12.3404 k = 0.1876 0.6085 0.3792 ( 3455 PWs) bands (ev): -47.8699 -47.8699 -22.8379 -22.8377 -19.9235 -19.9200 -19.7558 -19.7548 -19.7297 -19.7254 -18.0215 -18.0215 -7.9687 -7.9683 -5.0702 -5.0675 -4.6950 -4.6947 -4.3865 -4.3829 -0.4444 -0.4427 1.0027 1.0044 1.7194 1.7200 4.6550 4.6561 10.4116 10.4123 10.7372 10.7397 12.2892 12.2910 k = 0.1980 0.6143 0.3732 ( 3457 PWs) bands (ev): -47.8699 -47.8699 -22.8372 -22.8370 -19.9240 -19.9204 -19.7562 -19.7551 -19.7303 -19.7258 -18.0220 -18.0220 -7.9728 -7.9723 -5.0659 -5.0631 -4.6923 -4.6919 -4.3870 -4.3833 -0.4360 -0.4343 1.0058 1.0076 1.7170 1.7175 4.6639 4.6651 10.4322 10.4329 10.7469 10.7494 12.2371 12.2390 k = 0.2085 0.6201 0.3673 ( 3453 PWs) bands (ev): -47.8699 -47.8699 -22.8366 -22.8364 -19.9245 -19.9207 -19.7567 -19.7554 -19.7308 -19.7261 -18.0226 -18.0225 -7.9769 -7.9765 -5.0613 -5.0584 -4.6895 -4.6892 -4.3875 -4.3838 -0.4274 -0.4256 1.0091 1.0110 1.7146 1.7152 4.6734 4.6746 10.4532 10.4539 10.7568 10.7593 12.1825 12.1843 k = 0.2189 0.6258 0.3613 ( 3453 PWs) bands (ev): -47.8699 -47.8699 -22.8359 -22.8357 -19.9249 -19.9211 -19.7571 -19.7557 -19.7314 -19.7265 -18.0231 -18.0231 -7.9812 -7.9808 -5.0564 -5.0534 -4.6868 -4.6864 -4.3883 -4.3844 -0.4186 -0.4167 1.0125 1.0144 1.7123 1.7129 4.6833 4.6846 10.4743 10.4749 10.7669 10.7694 12.1252 12.1271 k = 0.2293 0.6316 0.3553 ( 3451 PWs) bands (ev): -47.8699 -47.8699 -22.8353 -22.8351 -19.9254 -19.9215 -19.7576 -19.7561 -19.7319 -19.7268 -18.0236 -18.0236 -7.9856 -7.9851 -5.0512 -5.0481 -4.6841 -4.6837 -4.3892 -4.3852 -0.4095 -0.4076 1.0161 1.0180 1.7102 1.7108 4.6938 4.6951 10.4953 10.4957 10.7773 10.7797 12.0654 12.0673 k = 0.2397 0.6374 0.3493 ( 3452 PWs) bands (ev): -47.8699 -47.8699 -22.8347 -22.8344 -19.9258 -19.9219 -19.7581 -19.7564 -19.7324 -19.7271 -18.0241 -18.0241 -7.9901 -7.9896 -5.0457 -5.0425 -4.6814 -4.6810 -4.3902 -4.3862 -0.4004 -0.3984 1.0196 1.0217 1.7082 1.7088 4.7047 4.7061 10.5157 10.5160 10.7883 10.7905 12.0033 12.0051 k = 0.2501 0.6431 0.3434 ( 3450 PWs) bands (ev): -47.8699 -47.8699 -22.8341 -22.8338 -19.9263 -19.9223 -19.7586 -19.7568 -19.7328 -19.7274 -18.0246 -18.0246 -7.9946 -7.9941 -5.0399 -5.0367 -4.6788 -4.6784 -4.3914 -4.3874 -0.3911 -0.3890 1.0233 1.0254 1.7063 1.7070 4.7161 4.7175 10.5353 10.5355 10.7999 10.8018 11.9389 11.9406 k = 0.2606 0.6489 0.3374 ( 3452 PWs) bands (ev): -47.8700 -47.8700 -22.8335 -22.8333 -19.9267 -19.9227 -19.7591 -19.7572 -19.7333 -19.7277 -18.0251 -18.0251 -7.9992 -7.9987 -5.0338 -5.0306 -4.6762 -4.6758 -4.3928 -4.3887 -0.3817 -0.3796 1.0271 1.0292 1.7046 1.7053 4.7279 4.7293 10.5536 10.5537 10.8122 10.8139 11.8726 11.8742 k = 0.2710 0.6547 0.3314 ( 3453 PWs) bands (ev): -47.8700 -47.8700 -22.8330 -22.8328 -19.9271 -19.9231 -19.7596 -19.7576 -19.7336 -19.7279 -18.0256 -18.0256 -8.0038 -8.0032 -5.0274 -5.0242 -4.6737 -4.6733 -4.3943 -4.3901 -0.3722 -0.3701 1.0309 1.0330 1.7031 1.7038 4.7401 4.7415 10.5700 10.5704 10.8254 10.8267 11.8047 11.8062 k = 0.2814 0.6604 0.3254 ( 3450 PWs) bands (ev): -47.8700 -47.8700 -22.8325 -22.8323 -19.9275 -19.9235 -19.7600 -19.7580 -19.7339 -19.7281 -18.0260 -18.0260 -8.0084 -8.0079 -5.0208 -5.0175 -4.6713 -4.6709 -4.3959 -4.3917 -0.3627 -0.3605 1.0347 1.0369 1.7017 1.7024 4.7527 4.7541 10.5843 10.5851 10.8394 10.8403 11.7359 11.7372 k = 0.2918 0.6662 0.3194 ( 3450 PWs) bands (ev): -47.8700 -47.8700 -22.8321 -22.8318 -19.9279 -19.9239 -19.7605 -19.7584 -19.7342 -19.7283 -18.0265 -18.0265 -8.0130 -8.0125 -5.0138 -5.0105 -4.6690 -4.6686 -4.3977 -4.3935 -0.3532 -0.3510 1.0385 1.0407 1.7004 1.7012 4.7656 4.7670 10.5963 10.5974 10.8537 10.8541 11.6669 11.6680 k = 0.3023 0.6720 0.3135 ( 3453 PWs) bands (ev): -47.8700 -47.8700 -22.8317 -22.8314 -19.9283 -19.9243 -19.7610 -19.7588 -19.7344 -19.7285 -18.0269 -18.0269 -8.0176 -8.0171 -5.0066 -5.0034 -4.6669 -4.6664 -4.3995 -4.3953 -0.3436 -0.3414 1.0423 1.0445 1.6994 1.7001 4.7788 4.7802 10.6058 10.6071 10.8674 10.8675 11.5990 11.5998 k = 0.3127 0.6777 0.3075 ( 3453 PWs) bands (ev): -47.8700 -47.8700 -22.8313 -22.8311 -19.9287 -19.9247 -19.7614 -19.7591 -19.7346 -19.7286 -18.0272 -18.0272 -8.0222 -8.0216 -4.9992 -4.9959 -4.6648 -4.6644 -4.4015 -4.3973 -0.3342 -0.3319 1.0460 1.0482 1.6984 1.6992 4.7922 4.7936 10.6126 10.6143 10.8788 10.8794 11.5339 11.5345 k = 0.3231 0.6835 0.3015 ( 3457 PWs) bands (ev): -47.8700 -47.8700 -22.8310 -22.8308 -19.9290 -19.9251 -19.7619 -19.7595 -19.7348 -19.7287 -18.0276 -18.0276 -8.0267 -8.0262 -4.9915 -4.9882 -4.6630 -4.6626 -4.4036 -4.3994 -0.3248 -0.3225 1.0496 1.0519 1.6976 1.6984 4.8059 4.8072 10.6169 10.6188 10.8858 10.8869 11.4743 11.4746 k = 0.3335 0.6893 0.2955 ( 3457 PWs) bands (ev): -47.8700 -47.8700 -22.8308 -22.8306 -19.9293 -19.9255 -19.7623 -19.7599 -19.7348 -19.7288 -18.0279 -18.0279 -8.0312 -8.0306 -4.9835 -4.9803 -4.6613 -4.6609 -4.4058 -4.4016 -0.3155 -0.3132 1.0531 1.0554 1.6970 1.6978 4.8197 4.8210 10.6188 10.6208 10.8851 10.8866 11.4238 11.4238 k = 0.3440 0.6950 0.2896 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8307 -22.8304 -19.9296 -19.9258 -19.7627 -19.7603 -19.7349 -19.7289 -18.0281 -18.0281 -8.0355 -8.0350 -4.9754 -4.9721 -4.6598 -4.6594 -4.4080 -4.4038 -0.3063 -0.3040 1.0565 1.0587 1.6965 1.6972 4.8336 4.8349 10.6181 10.6202 10.8730 10.8747 11.3862 11.3865 k = 0.3544 0.7008 0.2836 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0284 -8.0398 -8.0392 -4.9670 -4.9638 -4.6585 -4.6580 -4.4102 -4.4062 -0.2972 -0.2950 1.0597 1.0619 1.6961 1.6968 4.8475 4.8489 10.6146 10.6167 10.8467 10.8485 11.3654 11.3657 k = 0.3544 0.7008 0.2836 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9299 -19.9261 -19.7631 -19.7606 -19.7348 -19.7289 -18.0284 -18.0284 -8.0398 -8.0392 -4.9670 -4.9638 -4.6585 -4.6580 -4.4102 -4.4062 -0.2972 -0.2950 1.0597 1.0619 1.6961 1.6968 4.8475 4.8489 10.6146 10.6167 10.8467 10.8485 11.3654 11.3657 k = 0.3600 0.6959 0.2727 ( 3453 PWs) bands (ev): -47.8701 -47.8701 -22.8305 -22.8303 -19.9303 -19.9267 -19.7637 -19.7612 -19.7347 -19.7288 -18.0287 -18.0287 -8.0474 -8.0469 -4.9512 -4.9481 -4.6563 -4.6559 -4.4144 -4.4104 -0.2807 -0.2785 1.0652 1.0674 1.6953 1.6961 4.8732 4.8745 10.6027 10.6045 10.7867 10.7881 11.3437 11.3440 k = 0.3656 0.6910 0.2618 ( 3457 PWs) bands (ev): -47.8701 -47.8701 -22.8305 -22.8302 -19.9308 -19.9273 -19.7644 -19.7619 -19.7345 -19.7288 -18.0291 -18.0291 -8.0550 -8.0544 -4.9353 -4.9322 -4.6543 -4.6539 -4.4186 -4.4147 -0.2641 -0.2619 1.0705 1.0727 1.6945 1.6953 4.8990 4.9003 10.5846 10.5859 10.7297 10.7305 11.3226 11.3230 k = 0.3712 0.6861 0.2509 ( 3449 PWs) bands (ev): -47.8701 -47.8701 -22.8304 -22.8302 -19.9312 -19.9279 -19.7650 -19.7625 -19.7343 -19.7288 -18.0293 -18.0293 -8.0624 -8.0619 -4.9190 -4.9160 -4.6524 -4.6519 -4.4228 -4.4190 -0.2474 -0.2452 1.0756 1.0778 1.6935 1.6943 4.9250 4.9262 10.5582 10.5588 10.6783 10.6784 11.3022 11.3026 k = 0.3768 0.6813 0.2399 ( 3445 PWs) bands (ev): -47.8702 -47.8702 -22.8305 -22.8303 -19.9317 -19.9285 -19.7656 -19.7631 -19.7341 -19.7287 -18.0296 -18.0296 -8.0697 -8.0691 -4.9026 -4.8997 -4.6505 -4.6501 -4.4269 -4.4233 -0.2306 -0.2285 1.0805 1.0827 1.6924 1.6932 4.9510 4.9522 10.5209 10.5212 10.6346 10.6355 11.2826 11.2831 k = 0.3824 0.6764 0.2290 ( 3445 PWs) bands (ev): -47.8702 -47.8702 -22.8305 -22.8303 -19.9322 -19.9291 -19.7662 -19.7638 -19.7339 -19.7286 -18.0299 -18.0298 -8.0768 -8.0763 -4.8861 -4.8833 -4.6488 -4.6484 -4.4311 -4.4275 -0.2140 -0.2118 1.0852 1.0873 1.6912 1.6920 4.9769 4.9780 10.4727 10.4737 10.5995 10.6011 11.2639 11.2643 k = 0.3880 0.6715 0.2181 ( 3439 PWs) bands (ev): -47.8702 -47.8702 -22.8306 -22.8304 -19.9326 -19.9297 -19.7668 -19.7644 -19.7336 -19.7286 -18.0301 -18.0301 -8.0837 -8.0832 -4.8696 -4.8669 -4.6472 -4.6468 -4.4351 -4.4317 -0.1974 -0.1953 1.0897 1.0918 1.6899 1.6907 5.0026 5.0036 10.4182 10.4195 10.5702 10.5721 11.2460 11.2464 k = 0.3936 0.6666 0.2072 ( 3443 PWs) bands (ev): -47.8703 -47.8703 -22.8307 -22.8305 -19.9331 -19.9304 -19.7674 -19.7650 -19.7334 -19.7285 -18.0303 -18.0303 -8.0905 -8.0900 -4.8533 -4.8506 -4.6457 -4.6453 -4.4391 -4.4358 -0.1811 -0.1790 1.0939 1.0960 1.6886 1.6894 5.0279 5.0289 10.3607 10.3620 10.5435 10.5455 11.2160 11.2183 k = 0.3992 0.6617 0.1963 ( 3439 PWs) bands (ev): -47.8703 -47.8703 -22.8308 -22.8306 -19.9335 -19.9310 -19.7679 -19.7656 -19.7331 -19.7285 -18.0304 -18.0304 -8.0970 -8.0965 -4.8370 -4.8344 -4.6443 -4.6439 -4.4430 -4.4398 -0.1650 -0.1630 1.0980 1.0999 1.6873 1.6880 5.0529 5.0539 10.3022 10.3036 10.5182 10.5201 11.1626 11.1649 k = 0.4048 0.6569 0.1854 ( 3439 PWs) bands (ev): -47.8703 -47.8703 -22.8309 -22.8307 -19.9340 -19.9316 -19.7684 -19.7662 -19.7328 -19.7284 -18.0306 -18.0306 -8.1033 -8.1028 -4.8211 -4.8186 -4.6430 -4.6426 -4.4468 -4.4437 -0.1493 -0.1473 1.1018 1.1037 1.6859 1.6866 5.0774 5.0783 10.2440 10.2453 10.4934 10.4953 11.1113 11.1135 k = 0.4104 0.6520 0.1745 ( 3439 PWs) bands (ev): -47.8703 -47.8703 -22.8310 -22.8308 -19.9344 -19.9322 -19.7689 -19.7668 -19.7325 -19.7283 -18.0307 -18.0307 -8.1093 -8.1088 -4.8055 -4.8031 -4.6417 -4.6414 -4.4505 -4.4475 -0.1340 -0.1321 1.1054 1.1072 1.6845 1.6851 5.1012 5.1020 10.1868 10.1880 10.4691 10.4709 11.0623 11.0644 k = 0.4160 0.6471 0.1636 ( 3435 PWs) bands (ev): -47.8703 -47.8703 -22.8311 -22.8310 -19.9349 -19.9327 -19.7694 -19.7673 -19.7322 -19.7282 -18.0308 -18.0308 -8.1150 -8.1146 -4.7904 -4.7880 -4.6406 -4.6402 -4.4541 -4.4512 -0.1191 -0.1174 1.1088 1.1105 1.6831 1.6837 5.1243 5.1251 10.1310 10.1321 10.4454 10.4471 11.0157 11.0177 k = 0.4216 0.6422 0.1527 ( 3431 PWs) bands (ev): -47.8704 -47.8704 -22.8313 -22.8311 -19.9353 -19.9333 -19.7698 -19.7678 -19.7319 -19.7282 -18.0309 -18.0309 -8.1205 -8.1201 -4.7757 -4.7734 -4.6395 -4.6392 -4.4575 -4.4547 -0.1049 -0.1032 1.1119 1.1136 1.6816 1.6823 5.1465 5.1473 10.0771 10.0782 10.4223 10.4238 10.9717 10.9735 k = 0.4272 0.6374 0.1418 ( 3429 PWs) bands (ev): -47.8704 -47.8704 -22.8314 -22.8313 -19.9356 -19.9338 -19.7702 -19.7683 -19.7316 -19.7281 -18.0310 -18.0310 -8.1256 -8.1253 -4.7616 -4.7594 -4.6385 -4.6382 -4.4607 -4.4581 -0.0912 -0.0896 1.1149 1.1165 1.6803 1.6809 5.1678 5.1685 10.0256 10.0265 10.4000 10.4014 10.9303 10.9320 k = 0.4328 0.6325 0.1309 ( 3429 PWs) bands (ev): -47.8704 -47.8704 -22.8315 -22.8314 -19.9360 -19.9343 -19.7705 -19.7688 -19.7313 -19.7280 -18.0311 -18.0311 -8.1305 -8.1301 -4.7483 -4.7462 -4.6376 -4.6374 -4.4638 -4.4613 -0.0783 -0.0768 1.1176 1.1191 1.6790 1.6795 5.1880 5.1886 9.9766 9.9774 10.3787 10.3800 10.8916 10.8932 k = 0.4384 0.6276 0.1200 ( 3433 PWs) bands (ev): -47.8704 -47.8704 -22.8317 -22.8316 -19.9364 -19.9348 -19.7709 -19.7693 -19.7310 -19.7280 -18.0311 -18.0311 -8.1350 -8.1346 -4.7356 -4.7336 -4.6368 -4.6366 -4.4666 -4.4643 -0.0662 -0.0647 1.1200 1.1214 1.6777 1.6782 5.2071 5.2076 9.9305 9.9312 10.3585 10.3597 10.8557 10.8571 k = 0.4440 0.6227 0.1091 ( 3435 PWs) bands (ev): -47.8705 -47.8705 -22.8318 -22.8317 -19.9367 -19.9353 -19.7712 -19.7697 -19.7308 -19.7280 -18.0312 -18.0312 -8.1391 -8.1388 -4.7238 -4.7219 -4.6361 -4.6358 -4.4693 -4.4671 -0.0548 -0.0535 1.1223 1.1236 1.6765 1.6769 5.2248 5.2254 9.8875 9.8881 10.3395 10.3406 10.8227 10.8240 k = 0.4496 0.6178 0.0982 ( 3429 PWs) bands (ev): -47.8705 -47.8705 -22.8319 -22.8319 -19.9370 -19.9357 -19.7714 -19.7701 -19.7305 -19.7280 -18.0312 -18.0312 -8.1429 -8.1426 -4.7129 -4.7111 -4.6354 -4.6352 -4.4717 -4.4697 -0.0444 -0.0432 1.1244 1.1256 1.6753 1.6758 5.2413 5.2417 9.8479 9.8485 10.3220 10.3229 10.7925 10.7937 k = 0.4552 0.6130 0.0873 ( 3417 PWs) bands (ev): -47.8705 -47.8705 -22.8321 -22.8320 -19.9372 -19.9361 -19.7716 -19.7704 -19.7301 -19.7279 -18.0312 -18.0312 -8.1463 -8.1460 -4.7029 -4.7012 -4.6348 -4.6346 -4.4739 -4.4720 -0.0348 -0.0337 1.1262 1.1273 1.6743 1.6747 5.2563 5.2567 9.8119 9.8124 10.3060 10.3068 10.7654 10.7665 k = 0.4608 0.6081 0.0763 ( 3421 PWs) bands (ev): -47.8705 -47.8705 -22.8322 -22.8321 -19.9374 -19.9365 -19.7718 -19.7708 -19.7299 -19.7279 -18.0313 -18.0313 -8.1493 -8.1491 -4.6939 -4.6924 -4.6343 -4.6341 -4.4759 -4.4742 -0.0263 -0.0254 1.1278 1.1288 1.6734 1.6737 5.2697 5.2701 9.7797 9.7801 10.2916 10.2923 10.7413 10.7422 k = 0.4664 0.6032 0.0654 ( 3417 PWs) bands (ev): -47.8705 -47.8705 -22.8323 -22.8322 -19.9376 -19.9368 -19.7720 -19.7711 -19.7296 -19.7280 -18.0313 -18.0313 -8.1520 -8.1518 -4.6860 -4.6847 -4.6338 -4.6336 -4.4776 -4.4761 -0.0188 -0.0180 1.1292 1.1301 1.6726 1.6729 5.2815 5.2818 9.7515 9.7518 10.2790 10.2796 10.7204 10.7212 k = 0.4720 0.5983 0.0545 ( 3417 PWs) bands (ev): -47.8705 -47.8705 -22.8323 -22.8323 -19.9378 -19.9371 -19.7721 -19.7713 -19.7294 -19.7280 -18.0313 -18.0313 -8.1542 -8.1541 -4.6792 -4.6781 -4.6334 -4.6333 -4.4791 -4.4778 -0.0123 -0.0116 1.1304 1.1311 1.6719 1.6721 5.2917 5.2919 9.7273 9.7276 10.2682 10.2687 10.7026 10.7032 k = 0.4776 0.5934 0.0436 ( 3421 PWs) bands (ev): -47.8705 -47.8705 -22.8324 -22.8324 -19.9379 -19.9374 -19.7722 -19.7716 -19.7292 -19.7281 -18.0313 -18.0313 -8.1561 -8.1560 -4.6736 -4.6726 -4.6331 -4.6330 -4.4802 -4.4792 -0.0070 -0.0064 1.1314 1.1320 1.6713 1.6715 5.3000 5.3002 9.7074 9.7076 10.2592 10.2596 10.6879 10.6885 k = 0.4832 0.5886 0.0327 ( 3429 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8324 -19.9380 -19.9376 -19.7723 -19.7718 -19.7290 -19.7282 -18.0313 -18.0313 -8.1575 -8.1574 -4.6691 -4.6684 -4.6329 -4.6328 -4.4811 -4.4804 -0.0028 -0.0024 1.1322 1.1326 1.6708 1.6710 5.3065 5.3067 9.6918 9.6919 10.2522 10.2525 10.6765 10.6769 k = 0.4888 0.5837 0.0218 ( 3429 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8325 -19.9381 -19.9378 -19.7723 -19.7720 -19.7288 -19.7283 -18.0313 -18.0313 -8.1586 -8.1585 -4.6659 -4.6654 -4.6327 -4.6326 -4.4817 -4.4812 0.0002 0.0005 1.1328 1.1331 1.6705 1.6706 5.3113 5.3114 9.6806 9.6807 10.2472 10.2474 10.6684 10.6687 k = 0.4944 0.5788 0.0109 ( 3421 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8325 -19.9380 -19.9379 -19.7723 -19.7721 -19.7286 -19.7283 -18.0313 -18.0313 -8.1592 -8.1591 -4.6638 -4.6636 -4.6325 -4.6325 -4.4820 -4.4818 0.0021 0.0022 1.1332 1.1333 1.6703 1.6704 5.3141 5.3142 9.6739 9.6739 10.2442 10.2443 10.6636 10.6637 k = 0.5000 0.5739 0.0000 ( 3424 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8325 -19.9380 -19.9380 -19.7722 -19.7722 -19.7285 -19.7285 -18.0313 -18.0313 -8.1594 -8.1594 -4.6631 -4.6631 -4.6325 -4.6325 -4.4820 -4.4820 0.0027 0.0027 1.1333 1.1333 1.6703 1.6703 5.3151 5.3151 9.6716 9.6716 10.2432 10.2432 10.6620 10.6620 k = 0.5000 0.5739 0.0000 ( 3424 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8325 -19.9380 -19.9380 -19.7722 -19.7722 -19.7285 -19.7285 -18.0313 -18.0313 -8.1594 -8.1594 -4.6631 -4.6631 -4.6325 -4.6325 -4.4820 -4.4820 0.0027 0.0027 1.1333 1.1333 1.6703 1.6703 5.3151 5.3151 9.6716 9.6716 10.2432 10.2432 10.6620 10.6620 k = 0.4911 0.5637 0.0000 ( 3424 PWs) bands (ev): -47.8705 -47.8705 -22.8326 -22.8326 -19.9380 -19.9380 -19.7722 -19.7722 -19.7285 -19.7285 -18.0313 -18.0313 -8.1592 -8.1592 -4.6629 -4.6629 -4.6327 -4.6327 -4.4821 -4.4821 0.0025 0.0025 1.1330 1.1330 1.6702 1.6702 5.3147 5.3147 9.6649 9.6649 10.2449 10.2449 10.6638 10.6638 k = 0.4821 0.5534 0.0000 ( 3420 PWs) bands (ev): -47.8705 -47.8705 -22.8328 -22.8328 -19.9379 -19.9379 -19.7721 -19.7721 -19.7284 -19.7284 -18.0312 -18.0312 -8.1588 -8.1588 -4.6624 -4.6624 -4.6333 -4.6333 -4.4822 -4.4822 0.0019 0.0019 1.1319 1.1319 1.6701 1.6701 5.3137 5.3137 9.6452 9.6452 10.2498 10.2498 10.6694 10.6694 k = 0.4732 0.5432 0.0000 ( 3412 PWs) bands (ev): -47.8705 -47.8705 -22.8331 -22.8331 -19.9377 -19.9377 -19.7719 -19.7719 -19.7282 -19.7282 -18.0309 -18.0309 -8.1580 -8.1580 -4.6616 -4.6616 -4.6342 -4.6342 -4.4823 -4.4823 0.0008 0.0008 1.1301 1.1301 1.6698 1.6698 5.3118 5.3118 9.6140 9.6140 10.2574 10.2574 10.6787 10.6787 k = 0.4643 0.5329 0.0000 ( 3406 PWs) bands (ev): -47.8705 -47.8705 -22.8335 -22.8335 -19.9375 -19.9375 -19.7717 -19.7717 -19.7281 -19.7281 -18.0306 -18.0306 -8.1569 -8.1569 -4.6604 -4.6604 -4.6356 -4.6356 -4.4825 -4.4825 -0.0006 -0.0006 1.1276 1.1276 1.6695 1.6695 5.3093 5.3093 9.5733 9.5733 10.2672 10.2672 10.6918 10.6918 k = 0.4554 0.5227 0.0000 ( 3400 PWs) bands (ev): -47.8705 -47.8705 -22.8341 -22.8341 -19.9373 -19.9373 -19.7715 -19.7715 -19.7278 -19.7278 -18.0302 -18.0302 -8.1556 -8.1556 -4.6589 -4.6589 -4.6373 -4.6373 -4.4828 -4.4828 -0.0025 -0.0025 1.1243 1.1243 1.6690 1.6690 5.3060 5.3060 9.5249 9.5249 10.2787 10.2787 10.7085 10.7085 k = 0.4464 0.5124 0.0000 ( 3412 PWs) bands (ev): -47.8705 -47.8705 -22.8347 -22.8347 -19.9370 -19.9370 -19.7712 -19.7712 -19.7277 -19.7277 -18.0298 -18.0298 -8.1539 -8.1539 -4.6571 -4.6571 -4.6395 -4.6395 -4.4832 -4.4832 -0.0048 -0.0048 1.1203 1.1203 1.6683 1.6683 5.3021 5.3021 9.4707 9.4707 10.2917 10.2917 10.7289 10.7289 k = 0.4375 0.5022 0.0000 ( 3408 PWs) bands (ev): -47.8705 -47.8705 -22.8355 -22.8355 -19.9367 -19.9367 -19.7709 -19.7709 -19.7274 -19.7274 -18.0292 -18.0292 -8.1519 -8.1519 -4.6550 -4.6550 -4.6419 -4.6419 -4.4836 -4.4836 -0.0075 -0.0075 1.1157 1.1157 1.6675 1.6675 5.2974 5.2974 9.4122 9.4122 10.3061 10.3061 10.7529 10.7529 k = 0.4286 0.4919 0.0000 ( 3414 PWs) bands (ev): -47.8706 -47.8706 -22.8364 -22.8364 -19.9364 -19.9364 -19.7706 -19.7705 -19.7271 -19.7271 -18.0286 -18.0286 -8.1496 -8.1496 -4.6528 -4.6528 -4.6445 -4.6445 -4.4841 -4.4841 -0.0106 -0.0106 1.1104 1.1104 1.6665 1.6665 5.2921 5.2921 9.3507 9.3507 10.3219 10.3219 10.7806 10.7806 k = 0.4196 0.4817 0.0000 ( 3418 PWs) bands (ev): -47.8706 -47.8706 -22.8374 -22.8374 -19.9360 -19.9360 -19.7702 -19.7702 -19.7268 -19.7268 -18.0279 -18.0279 -8.1470 -8.1470 -4.6512 -4.6512 -4.6467 -4.6467 -4.4847 -4.4847 -0.0140 -0.0140 1.1044 1.1044 1.6653 1.6653 5.2861 5.2861 9.2872 9.2872 10.3391 10.3391 10.8119 10.8119 k = 0.4107 0.4714 0.0000 ( 3412 PWs) bands (ev): -47.8706 -47.8706 -22.8385 -22.8385 -19.9355 -19.9355 -19.7697 -19.7697 -19.7264 -19.7264 -18.0271 -18.0271 -8.1440 -8.1440 -4.6528 -4.6528 -4.6455 -4.6455 -4.4854 -4.4854 -0.0178 -0.0178 1.0979 1.0979 1.6639 1.6639 5.2796 5.2796 9.2224 9.2224 10.3577 10.3577 10.8468 10.8468 k = 0.4018 0.4612 0.0000 ( 3414 PWs) bands (ev): -47.8706 -47.8706 -22.8397 -22.8397 -19.9350 -19.9350 -19.7692 -19.7692 -19.7261 -19.7261 -18.0262 -18.0262 -8.1407 -8.1407 -4.6564 -4.6563 -4.6425 -4.6425 -4.4861 -4.4861 -0.0220 -0.0220 1.0907 1.0907 1.6622 1.6622 5.2724 5.2724 9.1569 9.1569 10.3780 10.3780 10.8852 10.8852 k = 0.3929 0.4509 0.0000 ( 3416 PWs) bands (ev): -47.8706 -47.8706 -22.8409 -22.8409 -19.9345 -19.9345 -19.7687 -19.7687 -19.7257 -19.7257 -18.0253 -18.0253 -8.1371 -8.1371 -4.6605 -4.6605 -4.6390 -4.6390 -4.4870 -4.4870 -0.0266 -0.0266 1.0830 1.0830 1.6602 1.6602 5.2646 5.2646 9.0913 9.0913 10.3999 10.3999 10.9270 10.9270 k = 0.3839 0.4407 0.0000 ( 3420 PWs) bands (ev): -47.8706 -47.8706 -22.8423 -22.8423 -19.9340 -19.9340 -19.7682 -19.7682 -19.7253 -19.7253 -18.0243 -18.0243 -8.1331 -8.1331 -4.6650 -4.6650 -4.6351 -4.6351 -4.4879 -4.4879 -0.0314 -0.0314 1.0747 1.0747 1.6579 1.6579 5.2562 5.2562 9.0259 9.0259 10.4235 10.4235 10.9724 10.9724 k = 0.3750 0.4304 0.0000 ( 3420 PWs) bands (ev): -47.8706 -47.8706 -22.8437 -22.8437 -19.9334 -19.9334 -19.7676 -19.7676 -19.7248 -19.7248 -18.0232 -18.0232 -8.1287 -8.1287 -4.6699 -4.6699 -4.6309 -4.6309 -4.4888 -4.4888 -0.0365 -0.0365 1.0659 1.0659 1.6553 1.6553 5.2473 5.2473 8.9611 8.9611 10.4489 10.4489 11.0211 11.0211 k = 0.3661 0.4202 0.0000 ( 3418 PWs) bands (ev): -47.8706 -47.8706 -22.8452 -22.8452 -19.9328 -19.9328 -19.7671 -19.7671 -19.7244 -19.7244 -18.0220 -18.0220 -8.1241 -8.1241 -4.6750 -4.6750 -4.6264 -4.6264 -4.4899 -4.4899 -0.0420 -0.0420 1.0567 1.0567 1.6523 1.6523 5.2379 5.2379 8.8971 8.8971 10.4762 10.4762 11.0732 11.0732 k = 0.3571 0.4099 0.0000 ( 3422 PWs) bands (ev): -47.8706 -47.8706 -22.8467 -22.8467 -19.9322 -19.9322 -19.7665 -19.7665 -19.7240 -19.7240 -18.0208 -18.0208 -8.1190 -8.1190 -4.6805 -4.6805 -4.6217 -4.6217 -4.4911 -4.4911 -0.0477 -0.0477 1.0470 1.0470 1.6489 1.6489 5.2281 5.2281 8.8341 8.8341 10.5054 10.5054 11.1286 11.1286 k = 0.3482 0.3997 0.0000 ( 3422 PWs) bands (ev): -47.8706 -47.8706 -22.8483 -22.8483 -19.9316 -19.9316 -19.7659 -19.7659 -19.7235 -19.7235 -18.0195 -18.0195 -8.1136 -8.1136 -4.6861 -4.6861 -4.6168 -4.6168 -4.4923 -4.4923 -0.0537 -0.0537 1.0369 1.0369 1.6452 1.6452 5.2178 5.2178 8.7724 8.7724 10.5366 10.5366 11.1872 11.1872 k = 0.3393 0.3894 0.0000 ( 3424 PWs) bands (ev): -47.8706 -47.8706 -22.8500 -22.8500 -19.9310 -19.9310 -19.7653 -19.7653 -19.7231 -19.7231 -18.0182 -18.0182 -8.1079 -8.1079 -4.6921 -4.6921 -4.6116 -4.6116 -4.4937 -4.4937 -0.0599 -0.0599 1.0264 1.0264 1.6409 1.6409 5.2071 5.2071 8.7121 8.7121 10.5697 10.5697 11.2490 11.2490 k = 0.3304 0.3792 0.0000 ( 3436 PWs) bands (ev): -47.8707 -47.8707 -22.8516 -22.8516 -19.9304 -19.9304 -19.7647 -19.7647 -19.7227 -19.7227 -18.0168 -18.0168 -8.1018 -8.1018 -4.6982 -4.6982 -4.6063 -4.6063 -4.4951 -4.4951 -0.0663 -0.0663 1.0156 1.0156 1.6362 1.6362 5.1960 5.1960 8.6532 8.6532 10.6048 10.6048 11.3139 11.3139 k = 0.3214 0.3689 0.0000 ( 3444 PWs) bands (ev): -47.8707 -47.8707 -22.8533 -22.8533 -19.9298 -19.9297 -19.7641 -19.7641 -19.7224 -19.7224 -18.0153 -18.0153 -8.0954 -8.0954 -4.7046 -4.7046 -4.6008 -4.6008 -4.4966 -4.4966 -0.0730 -0.0730 1.0044 1.0044 1.6310 1.6310 5.1846 5.1846 8.5960 8.5960 10.6420 10.6420 11.3818 11.3818 k = 0.3125 0.3587 0.0000 ( 3448 PWs) bands (ev): -47.8707 -47.8707 -22.8550 -22.8550 -19.9291 -19.9291 -19.7635 -19.7635 -19.7220 -19.7220 -18.0138 -18.0138 -8.0886 -8.0886 -4.7111 -4.7111 -4.5952 -4.5952 -4.4982 -4.4982 -0.0797 -0.0797 0.9931 0.9931 1.6254 1.6254 5.1728 5.1728 8.5404 8.5404 10.6813 10.6813 11.4527 11.4527 k = 0.3036 0.3484 0.0000 ( 3452 PWs) bands (ev): -47.8707 -47.8707 -22.8568 -22.8568 -19.9285 -19.9285 -19.7628 -19.7628 -19.7216 -19.7216 -18.0122 -18.0122 -8.0814 -8.0814 -4.7178 -4.7178 -4.5893 -4.5893 -4.4999 -4.4999 -0.0867 -0.0867 0.9815 0.9815 1.6192 1.6192 5.1608 5.1608 8.4866 8.4866 10.7226 10.7226 11.5265 11.5265 k = 0.2946 0.3382 0.0000 ( 3448 PWs) bands (ev): -47.8707 -47.8707 -22.8585 -22.8585 -19.9278 -19.9278 -19.7622 -19.7622 -19.7212 -19.7212 -18.0106 -18.0106 -8.0740 -8.0740 -4.7246 -4.7246 -4.5834 -4.5834 -4.5016 -4.5016 -0.0937 -0.0937 0.9697 0.9697 1.6125 1.6125 5.1486 5.1486 8.4347 8.4347 10.7660 10.7660 11.6031 11.6031 k = 0.2857 0.3280 0.0000 ( 3442 PWs) bands (ev): -47.8707 -47.8707 -22.8602 -22.8602 -19.9272 -19.9272 -19.7615 -19.7615 -19.7209 -19.7209 -18.0090 -18.0090 -8.0662 -8.0662 -4.7315 -4.7315 -4.5773 -4.5773 -4.5034 -4.5034 -0.1009 -0.1009 0.9578 0.9578 1.6053 1.6053 5.1363 5.1363 8.3846 8.3846 10.8115 10.8115 11.6825 11.6825 k = 0.2768 0.3177 0.0000 ( 3448 PWs) bands (ev): -47.8707 -47.8707 -22.8619 -22.8619 -19.9266 -19.9266 -19.7609 -19.7609 -19.7206 -19.7206 -18.0073 -18.0073 -8.0582 -8.0582 -4.7385 -4.7385 -4.5712 -4.5712 -4.5053 -4.5053 -0.1081 -0.1081 0.9458 0.9458 1.5976 1.5976 5.1237 5.1237 8.3365 8.3365 10.8590 10.8590 11.7645 11.7645 k = 0.2679 0.3075 0.0000 ( 3454 PWs) bands (ev): -47.8708 -47.8708 -22.8636 -22.8636 -19.9260 -19.9260 -19.7604 -19.7604 -19.7204 -19.7204 -18.0057 -18.0057 -8.0498 -8.0498 -4.7456 -4.7456 -4.5650 -4.5650 -4.5072 -4.5072 -0.1154 -0.1154 0.9337 0.9337 1.5893 1.5893 5.1110 5.1110 8.2902 8.2902 10.9084 10.9084 11.8490 11.8490 k = 0.2589 0.2972 0.0000 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8653 -22.8653 -19.9254 -19.9254 -19.7597 -19.7597 -19.7201 -19.7201 -18.0039 -18.0039 -8.0412 -8.0412 -4.7528 -4.7528 -4.5587 -4.5587 -4.5092 -4.5092 -0.1227 -0.1227 0.9216 0.9216 1.5806 1.5806 5.0983 5.0983 8.2460 8.2460 10.9599 10.9599 11.9360 11.9360 k = 0.2500 0.2870 0.0000 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8670 -22.8670 -19.9248 -19.9248 -19.7591 -19.7591 -19.7200 -19.7200 -18.0022 -18.0022 -8.0324 -8.0324 -4.7599 -4.7599 -4.5525 -4.5525 -4.5112 -4.5112 -0.1300 -0.1300 0.9095 0.9095 1.5715 1.5715 5.0856 5.0856 8.2037 8.2037 11.0134 11.0134 12.0253 12.0253 k = 0.2411 0.2767 0.0000 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8686 -22.8686 -19.9243 -19.9243 -19.7585 -19.7585 -19.7198 -19.7198 -18.0005 -18.0005 -8.0233 -8.0233 -4.7671 -4.7671 -4.5463 -4.5463 -4.5131 -4.5131 -0.1373 -0.1373 0.8975 0.8975 1.5619 1.5619 5.0728 5.0728 8.1635 8.1635 11.0687 11.0687 12.1168 12.1168 k = 0.2321 0.2665 0.0000 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8702 -22.8702 -19.9237 -19.9237 -19.7580 -19.7580 -19.7197 -19.7197 -17.9987 -17.9987 -8.0141 -8.0141 -4.7743 -4.7743 -4.5402 -4.5402 -4.5150 -4.5150 -0.1446 -0.1446 0.8855 0.8855 1.5518 1.5518 5.0602 5.0602 8.1252 8.1252 11.1258 11.1258 12.2105 12.2105 k = 0.2232 0.2562 0.0000 ( 3452 PWs) bands (ev): -47.8708 -47.8708 -22.8717 -22.8717 -19.9232 -19.9232 -19.7574 -19.7574 -19.7197 -19.7197 -17.9969 -17.9969 -8.0047 -8.0047 -4.7814 -4.7814 -4.5344 -4.5344 -4.5167 -4.5167 -0.1518 -0.1518 0.8737 0.8737 1.5414 1.5414 5.0476 5.0476 8.0888 8.0888 11.1847 11.1847 12.3061 12.3061 k = 0.2143 0.2460 0.0000 ( 3446 PWs) bands (ev): -47.8708 -47.8708 -22.8732 -22.8732 -19.9227 -19.9227 -19.7568 -19.7568 -19.7197 -19.7197 -17.9952 -17.9952 -7.9952 -7.9952 -4.7885 -4.7885 -4.5296 -4.5296 -4.5175 -4.5175 -0.1589 -0.1589 0.8621 0.8621 1.5306 1.5306 5.0351 5.0351 8.0544 8.0544 11.2452 11.2452 12.4035 12.4035 k = 0.2054 0.2357 0.0000 ( 3446 PWs) bands (ev): -47.8708 -47.8708 -22.8747 -22.8747 -19.9223 -19.9223 -19.7563 -19.7563 -19.7197 -19.7197 -17.9935 -17.9935 -7.9857 -7.9857 -4.7955 -4.7955 -4.5272 -4.5272 -4.5159 -4.5159 -0.1660 -0.1660 0.8506 0.8506 1.5196 1.5196 5.0228 5.0228 8.0220 8.0220 11.3074 11.3074 12.5026 12.5026 k = 0.1964 0.2255 0.0000 ( 3448 PWs) bands (ev): -47.8708 -47.8708 -22.8761 -22.8761 -19.9218 -19.9218 -19.7558 -19.7558 -19.7197 -19.7197 -17.9917 -17.9917 -7.9760 -7.9760 -4.8023 -4.8023 -4.5275 -4.5275 -4.5117 -4.5117 -0.1729 -0.1729 0.8393 0.8393 1.5083 1.5083 5.0107 5.0107 7.9915 7.9915 11.3710 11.3710 12.6033 12.6033 k = 0.1875 0.2152 0.0000 ( 3452 PWs) bands (ev): -47.8709 -47.8709 -22.8774 -22.8774 -19.9215 -19.9215 -19.7553 -19.7553 -19.7199 -19.7199 -17.9901 -17.9901 -7.9664 -7.9664 -4.8091 -4.8091 -4.5291 -4.5291 -4.5064 -4.5064 -0.1796 -0.1796 0.8284 0.8284 1.4968 1.4968 4.9989 4.9989 7.9628 7.9628 11.4359 11.4359 12.7052 12.7052 k = 0.1786 0.2050 0.0000 ( 3458 PWs) bands (ev): -47.8709 -47.8709 -22.8787 -22.8787 -19.9211 -19.9211 -19.7549 -19.7549 -19.7200 -19.7200 -17.9884 -17.9884 -7.9568 -7.9568 -4.8157 -4.8157 -4.5310 -4.5310 -4.5008 -4.5008 -0.1862 -0.1862 0.8177 0.8177 1.4852 1.4852 4.9873 4.9873 7.9359 7.9359 11.5021 11.5021 12.8083 12.8083 k = 0.1696 0.1947 0.0000 ( 3460 PWs) bands (ev): -47.8709 -47.8709 -22.8799 -22.8799 -19.9208 -19.9208 -19.7544 -19.7544 -19.7202 -19.7202 -17.9868 -17.9868 -7.9473 -7.9473 -4.8221 -4.8221 -4.5331 -4.5331 -4.4952 -4.4952 -0.1926 -0.1926 0.8073 0.8073 1.4736 1.4736 4.9761 4.9761 7.9109 7.9109 11.5694 11.5694 12.9122 12.9122 k = 0.1607 0.1845 0.0000 ( 3460 PWs) bands (ev): -47.8709 -47.8709 -22.8811 -22.8811 -19.9205 -19.9205 -19.7540 -19.7540 -19.7204 -19.7204 -17.9852 -17.9852 -7.9380 -7.9380 -4.8284 -4.8284 -4.5352 -4.5352 -4.4897 -4.4897 -0.1988 -0.1988 0.7973 0.7973 1.4619 1.4619 4.9652 4.9652 7.8876 7.8876 11.6375 11.6375 13.0168 13.0168 k = 0.1518 0.1742 0.0000 ( 3456 PWs) bands (ev): -47.8709 -47.8709 -22.8822 -22.8822 -19.9202 -19.9201 -19.7536 -19.7536 -19.7205 -19.7205 -17.9836 -17.9836 -7.9287 -7.9287 -4.8344 -4.8344 -4.5372 -4.5372 -4.4843 -4.4843 -0.2048 -0.2048 0.7877 0.7877 1.4504 1.4504 4.9547 4.9547 7.8660 7.8660 11.7064 11.7064 13.1216 13.1216 k = 0.1429 0.1640 0.0000 ( 3464 PWs) bands (ev): -47.8709 -47.8709 -22.8832 -22.8832 -19.9199 -19.9199 -19.7532 -19.7532 -19.7208 -19.7208 -17.9821 -17.9821 -7.9197 -7.9197 -4.8402 -4.8402 -4.5393 -4.5393 -4.4791 -4.4791 -0.2106 -0.2106 0.7784 0.7784 1.4389 1.4389 4.9445 4.9445 7.8460 7.8460 11.7758 11.7758 13.2264 13.2264 k = 0.1339 0.1537 0.0000 ( 3466 PWs) bands (ev): -47.8709 -47.8709 -22.8842 -22.8842 -19.9197 -19.9197 -19.7529 -19.7529 -19.7210 -19.7210 -17.9807 -17.9807 -7.9110 -7.9110 -4.8457 -4.8457 -4.5414 -4.5414 -4.4741 -4.4741 -0.2160 -0.2160 0.7696 0.7696 1.4278 1.4278 4.9349 4.9349 7.8276 7.8276 11.8455 11.8455 13.3306 13.3306 k = 0.1250 0.1435 0.0000 ( 3466 PWs) bands (ev): -47.8709 -47.8709 -22.8851 -22.8851 -19.9195 -19.9195 -19.7526 -19.7526 -19.7213 -19.7213 -17.9793 -17.9793 -7.9026 -7.9026 -4.8510 -4.8510 -4.5433 -4.5433 -4.4694 -4.4694 -0.2213 -0.2213 0.7613 0.7613 1.4169 1.4169 4.9257 4.9257 7.8107 7.8107 11.9152 11.9152 13.4338 13.4338 k = 0.1161 0.1332 0.0000 ( 3460 PWs) bands (ev): -47.8709 -47.8709 -22.8860 -22.8860 -19.9193 -19.9193 -19.7522 -19.7522 -19.7215 -19.7215 -17.9780 -17.9780 -7.8945 -7.8945 -4.8560 -4.8560 -4.5452 -4.5452 -4.4648 -4.4648 -0.2262 -0.2262 0.7534 0.7534 1.4064 1.4064 4.9170 4.9170 7.7954 7.7954 11.9846 11.9846 13.5354 13.5354 k = 0.1071 0.1230 0.0000 ( 3456 PWs) bands (ev): -47.8709 -47.8709 -22.8868 -22.8868 -19.9191 -19.9191 -19.7519 -19.7519 -19.7217 -19.7217 -17.9768 -17.9768 -7.8868 -7.8868 -4.8607 -4.8607 -4.5470 -4.5470 -4.4606 -4.4606 -0.2308 -0.2308 0.7461 0.7461 1.3963 1.3963 4.9089 4.9089 7.7814 7.7814 12.0533 12.0533 13.6344 13.6344 k = 0.0982 0.1127 0.0000 ( 3454 PWs) bands (ev): -47.8709 -47.8709 -22.8875 -22.8875 -19.9189 -19.9189 -19.7516 -19.7516 -19.7219 -19.7219 -17.9756 -17.9756 -7.8795 -7.8795 -4.8650 -4.8650 -4.5487 -4.5487 -4.4566 -4.4566 -0.2351 -0.2351 0.7393 0.7393 1.3868 1.3868 4.9013 4.9013 7.7688 7.7688 12.1210 12.1210 13.7300 13.7300 k = 0.0893 0.1025 0.0000 ( 3458 PWs) bands (ev): -47.8710 -47.8710 -22.8881 -22.8881 -19.9188 -19.9188 -19.7514 -19.7514 -19.7222 -19.7222 -17.9746 -17.9746 -7.8727 -7.8727 -4.8691 -4.8691 -4.5503 -4.5503 -4.4529 -4.4529 -0.2390 -0.2390 0.7329 0.7329 1.3778 1.3778 4.8943 4.8943 7.7575 7.7575 12.1871 12.1871 13.8209 13.8209 k = 0.0804 0.0922 0.0000 ( 3462 PWs) bands (ev): -47.8710 -47.8710 -22.8887 -22.8887 -19.9187 -19.9187 -19.7512 -19.7512 -19.7224 -19.7224 -17.9736 -17.9736 -7.8665 -7.8665 -4.8728 -4.8728 -4.5518 -4.5518 -4.4495 -4.4495 -0.2426 -0.2426 0.7272 0.7272 1.3695 1.3695 4.8879 4.8879 7.7474 7.7474 12.2512 12.2512 13.9047 13.9047 k = 0.0714 0.0820 0.0000 ( 3462 PWs) bands (ev): -47.8710 -47.8710 -22.8893 -22.8893 -19.9186 -19.9186 -19.7510 -19.7510 -19.7226 -19.7226 -17.9727 -17.9727 -7.8608 -7.8608 -4.8761 -4.8761 -4.5531 -4.5531 -4.4465 -4.4465 -0.2459 -0.2459 0.7220 0.7220 1.3618 1.3618 4.8821 4.8821 7.7386 7.7386 12.3125 12.3125 13.8962 13.8962 k = 0.0625 0.0717 0.0000 ( 3470 PWs) bands (ev): -47.8710 -47.8710 -22.8897 -22.8897 -19.9186 -19.9186 -19.7509 -19.7509 -19.7229 -19.7229 -17.9719 -17.9719 -7.8556 -7.8556 -4.8791 -4.8791 -4.5543 -4.5543 -4.4437 -4.4437 -0.2488 -0.2488 0.7173 0.7173 1.3549 1.3549 4.8769 4.8769 7.7309 7.7309 12.3703 12.3703 13.8760 13.8760 k = 0.0536 0.0615 0.0000 ( 3470 PWs) bands (ev): -47.8710 -47.8710 -22.8901 -22.8901 -19.9185 -19.9185 -19.7507 -19.7507 -19.7230 -19.7230 -17.9712 -17.9712 -7.8511 -7.8511 -4.8817 -4.8817 -4.5554 -4.5554 -4.4413 -4.4413 -0.2514 -0.2514 0.7133 0.7133 1.3489 1.3489 4.8724 4.8724 7.7243 7.7243 12.4238 12.4238 13.8552 13.8552 k = 0.0446 0.0512 0.0000 ( 3470 PWs) bands (ev): -47.8710 -47.8710 -22.8905 -22.8905 -19.9184 -19.9184 -19.7506 -19.7506 -19.7232 -19.7232 -17.9706 -17.9706 -7.8473 -7.8473 -4.8839 -4.8839 -4.5563 -4.5563 -4.4393 -4.4393 -0.2535 -0.2535 0.7099 0.7099 1.3437 1.3437 4.8686 4.8686 7.7188 7.7188 12.4719 12.4719 13.8346 13.8346 k = 0.0357 0.0410 0.0000 ( 3465 PWs) bands (ev): -47.8710 -47.8710 -22.8907 -22.8907 -19.9184 -19.9184 -19.7505 -19.7505 -19.7233 -19.7233 -17.9702 -17.9702 -7.8441 -7.8441 -4.8857 -4.8857 -4.5570 -4.5570 -4.4376 -4.4376 -0.2553 -0.2553 0.7071 0.7071 1.3394 1.3394 4.8654 4.8654 7.7144 7.7144 12.5136 12.5136 13.8154 13.8154 k = 0.0268 0.0307 0.0000 ( 3465 PWs) bands (ev): -47.8710 -47.8710 -22.8909 -22.8909 -19.9183 -19.9183 -19.7504 -19.7504 -19.7234 -19.7234 -17.9698 -17.9698 -7.8416 -7.8416 -4.8872 -4.8872 -4.5576 -4.5576 -4.4363 -4.4363 -0.2567 -0.2567 0.7049 0.7049 1.3360 1.3360 4.8630 4.8630 7.7110 7.7110 12.5476 12.5476 13.7989 13.7989 k = 0.0179 0.0205 0.0000 ( 3461 PWs) bands (ev): -47.8710 -47.8710 -22.8911 -22.8911 -19.9183 -19.9183 -19.7504 -19.7504 -19.7234 -19.7234 -17.9695 -17.9695 -7.8398 -7.8398 -4.8882 -4.8882 -4.5579 -4.5579 -4.4354 -4.4354 -0.2577 -0.2577 0.7033 0.7033 1.3335 1.3335 4.8612 4.8612 7.7085 7.7085 12.5729 12.5729 13.7860 13.7860 k = 0.0089 0.0102 0.0000 ( 3465 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9183 -19.9183 -19.7503 -19.7503 -19.7235 -19.7235 -17.9693 -17.9693 -7.8387 -7.8387 -4.8888 -4.8888 -4.5582 -4.5582 -4.4348 -4.4348 -0.2583 -0.2583 0.7024 0.7024 1.3321 1.3321 4.8601 4.8601 7.7071 7.7071 12.5886 12.5886 13.7779 13.7779 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9183 -19.9183 -19.7503 -19.7503 -19.7235 -19.7235 -17.9693 -17.9693 -7.8383 -7.8383 -4.8890 -4.8890 -4.5583 -4.5583 -4.4346 -4.4346 -0.2585 -0.2585 0.7020 0.7020 1.3315 1.3315 4.8598 4.8598 7.7066 7.7066 12.5938 12.5938 13.7751 13.7751 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9183 -19.9183 -19.7503 -19.7503 -19.7235 -19.7235 -17.9693 -17.9693 -7.8383 -7.8383 -4.8890 -4.8890 -4.5583 -4.5583 -4.4346 -4.4346 -0.2585 -0.2585 0.7020 0.7020 1.3315 1.3315 4.8598 4.8598 7.7066 7.7066 12.5938 12.5938 13.7751 13.7751 k = 0.0085-0.0074 0.0077 ( 3461 PWs) bands (ev): -47.8710 -47.8710 -22.8912 -22.8912 -19.9183 -19.9182 -19.7503 -19.7502 -19.7235 -19.7235 -17.9695 -17.9695 -7.8379 -7.8379 -4.8922 -4.8912 -4.5561 -4.5550 -4.4348 -4.4347 -0.2583 -0.2583 0.7001 0.7008 1.3319 1.3329 4.8603 4.8603 7.7081 7.7083 12.5941 12.5948 13.7591 13.7594 k = 0.0170-0.0148 0.0153 ( 3461 PWs) bands (ev): -47.8710 -47.8710 -22.8911 -22.8911 -19.9182 -19.9182 -19.7502 -19.7501 -19.7235 -19.7235 -17.9702 -17.9701 -7.8368 -7.8367 -4.9004 -4.8984 -4.5488 -4.5466 -4.4353 -4.4352 -0.2579 -0.2579 0.6950 0.6963 1.3341 1.3360 4.8616 4.8616 7.7128 7.7132 12.5955 12.5968 13.7167 13.7175 k = 0.0254-0.0222 0.0230 ( 3469 PWs) bands (ev): -47.8710 -47.8710 -22.8909 -22.8909 -19.9181 -19.9180 -19.7501 -19.7499 -19.7235 -19.7235 -17.9712 -17.9711 -7.8349 -7.8348 -4.9128 -4.9100 -4.5369 -4.5338 -4.4361 -4.4361 -0.2573 -0.2573 0.6868 0.6886 1.3380 1.3407 4.8639 4.8639 7.7206 7.7213 12.5977 12.5998 13.6578 13.6589 k = 0.0339-0.0296 0.0306 ( 3461 PWs) bands (ev): -47.8710 -47.8710 -22.8907 -22.8906 -19.9179 -19.9178 -19.7498 -19.7496 -19.7236 -19.7235 -17.9726 -17.9724 -7.8322 -7.8322 -4.9284 -4.9251 -4.5215 -4.5177 -4.4373 -4.4372 -0.2563 -0.2563 0.6758 0.6781 1.3434 1.3470 4.8670 4.8670 7.7315 7.7325 12.6004 12.6032 13.5899 13.5914 k = 0.0424-0.0369 0.0383 ( 3461 PWs) bands (ev): -47.8710 -47.8710 -22.8904 -22.8903 -19.9176 -19.9175 -19.7495 -19.7492 -19.7236 -19.7236 -17.9744 -17.9742 -7.8289 -7.8288 -4.9464 -4.9426 -4.5035 -4.4991 -4.4387 -4.4386 -0.2552 -0.2551 0.6621 0.6649 1.3504 1.3547 4.8711 4.8711 7.7455 7.7466 12.6028 12.6064 13.5174 13.5193 k = 0.0509-0.0443 0.0460 ( 3463 PWs) bands (ev): -47.8710 -47.8710 -22.8900 -22.8899 -19.9173 -19.9173 -19.7490 -19.7488 -19.7237 -19.7236 -17.9766 -17.9763 -7.8250 -7.8249 -4.9660 -4.9618 -4.4838 -4.4789 -4.4404 -4.4402 -0.2537 -0.2537 0.6460 0.6492 1.3586 1.3637 4.8759 4.8759 7.7624 7.7638 12.6041 12.6085 13.4430 13.4453 k = 0.0594-0.0517 0.0536 ( 3463 PWs) bands (ev): -47.8710 -47.8710 -22.8895 -22.8895 -19.9170 -19.9169 -19.7485 -19.7483 -19.7238 -19.7237 -17.9791 -17.9788 -7.8205 -7.8204 -4.9864 -4.9820 -4.4635 -4.4582 -4.4417 -4.4415 -0.2520 -0.2520 0.6278 0.6314 1.3681 1.3738 4.8816 4.8816 7.7821 7.7837 12.6033 12.6086 13.3682 13.3710 k = 0.0679-0.0591 0.0613 ( 3467 PWs) bands (ev): -47.8710 -47.8710 -22.8890 -22.8890 -19.9166 -19.9166 -19.7480 -19.7478 -19.7239 -19.7238 -17.9819 -17.9816 -7.8156 -7.8155 -5.0072 -5.0026 -4.4493 -4.4472 -4.4365 -4.4332 -0.2500 -0.2500 0.6078 0.6117 1.3787 1.3849 4.8881 4.8882 7.8045 7.8063 12.5990 12.6051 13.2945 13.2977 k = 0.0763-0.0665 0.0690 ( 3467 PWs) bands (ev): -47.8710 -47.8710 -22.8884 -22.8884 -19.9163 -19.9161 -19.7474 -19.7472 -19.7239 -19.7239 -17.9850 -17.9847 -7.8103 -7.8102 -5.0279 -5.0233 -4.4495 -4.4490 -4.4170 -4.4120 -0.2478 -0.2477 0.5864 0.5906 1.3901 1.3969 4.8954 4.8954 7.8295 7.8314 12.5896 12.5966 13.2226 13.2263 k = 0.0848-0.0739 0.0766 ( 3471 PWs) bands (ev): -47.8710 -47.8710 -22.8878 -22.8877 -19.9160 -19.9156 -19.7467 -19.7467 -19.7240 -19.7240 -17.9884 -17.9880 -7.8048 -7.8047 -5.0483 -5.0436 -4.4521 -4.4518 -4.3955 -4.3901 -0.2453 -0.2452 0.5639 0.5682 1.4024 1.4097 4.9034 4.9034 7.8568 7.8590 12.5737 12.5814 13.1533 13.1573 k = 0.0933-0.0813 0.0843 ( 3477 PWs) bands (ev): -47.8710 -47.8710 -22.8871 -22.8870 -19.9156 -19.9151 -19.7461 -19.7460 -19.7242 -19.7242 -17.9920 -17.9916 -7.7991 -7.7990 -5.0680 -5.0632 -4.4553 -4.4551 -4.3741 -4.3685 -0.2425 -0.2425 0.5405 0.5450 1.4155 1.4231 4.9121 4.9121 7.8864 7.8887 12.5497 12.5580 13.0870 13.0910 k = 0.1018-0.0887 0.0919 ( 3481 PWs) bands (ev): -47.8710 -47.8710 -22.8863 -22.8862 -19.9153 -19.9146 -19.7455 -19.7452 -19.7243 -19.7243 -17.9958 -17.9954 -7.7934 -7.7933 -5.0867 -5.0820 -4.4589 -4.4587 -4.3532 -4.3474 -0.2394 -0.2394 0.5166 0.5213 1.4291 1.4371 4.9215 4.9215 7.9181 7.9206 12.5168 12.5253 13.0234 13.0273 k = 0.1103-0.0961 0.0996 ( 3481 PWs) bands (ev): -47.8710 -47.8710 -22.8854 -22.8853 -19.9150 -19.9140 -19.7449 -19.7444 -19.7244 -19.7244 -17.9998 -17.9994 -7.7879 -7.7877 -5.1044 -5.0996 -4.4628 -4.4626 -4.3330 -4.3271 -0.2361 -0.2361 0.4926 0.4973 1.4433 1.4516 4.9314 4.9315 7.9517 7.9543 12.4746 12.4833 12.9619 12.9654 k = 0.1188-0.1035 0.1073 ( 3477 PWs) bands (ev): -47.8710 -47.8710 -22.8845 -22.8844 -19.9147 -19.9134 -19.7443 -19.7435 -19.7246 -19.7245 -18.0039 -18.0035 -7.7825 -7.7824 -5.1207 -5.1159 -4.4669 -4.4668 -4.3137 -4.3077 -0.2325 -0.2325 0.4686 0.4735 1.4579 1.4665 4.9420 4.9420 7.9870 7.9898 12.4239 12.4323 12.9012 12.9042 k = 0.1272-0.1108 0.1149 ( 3469 PWs) bands (ev): -47.8709 -47.8709 -22.8836 -22.8834 -19.9144 -19.9128 -19.7437 -19.7427 -19.7247 -19.7246 -18.0081 -18.0077 -7.7775 -7.7774 -5.1354 -5.1307 -4.4713 -4.4712 -4.2955 -4.2894 -0.2287 -0.2286 0.4452 0.4501 1.4729 1.4818 4.9530 4.9530 8.0239 8.0268 12.3656 12.3735 12.8400 12.8424 k = 0.1357-0.1182 0.1226 ( 3469 PWs) bands (ev): -47.8709 -47.8709 -22.8825 -22.8824 -19.9141 -19.9122 -19.7431 -19.7418 -19.7249 -19.7247 -18.0123 -18.0120 -7.7730 -7.7729 -5.1486 -5.1439 -4.4759 -4.4758 -4.2785 -4.2723 -0.2246 -0.2245 0.4224 0.4274 1.4882 1.4973 4.9645 4.9645 8.0623 8.0653 12.3010 12.3084 12.7774 12.7790 k = 0.1442-0.1256 0.1303 ( 3473 PWs) bands (ev): -47.8709 -47.8709 -22.8815 -22.8813 -19.9140 -19.9116 -19.7427 -19.7410 -19.7250 -19.7248 -18.0166 -18.0162 -7.7691 -7.7690 -5.1600 -5.1553 -4.4808 -4.4807 -4.2627 -4.2566 -0.2202 -0.2202 0.4006 0.4057 1.5038 1.5131 4.9764 4.9764 8.1019 8.1050 12.2316 12.2383 12.7127 12.7136 k = 0.1527-0.1330 0.1379 ( 3475 PWs) bands (ev): -47.8709 -47.8709 -22.8803 -22.8802 -19.9139 -19.9111 -19.7423 -19.7402 -19.7252 -19.7249 -18.0208 -18.0205 -7.7660 -7.7659 -5.1695 -5.1648 -4.4858 -4.4858 -4.2484 -4.2422 -0.2156 -0.2155 0.3801 0.3852 1.5195 1.5290 4.9886 4.9886 8.1427 8.1459 12.1583 12.1644 12.6458 12.6461 k = 0.1612-0.1404 0.1456 ( 3467 PWs) bands (ev): -47.8709 -47.8709 -22.8792 -22.8790 -19.9138 -19.9105 -19.7419 -19.7394 -19.7253 -19.7249 -18.0250 -18.0247 -7.7637 -7.7637 -5.1770 -5.1724 -4.4910 -4.4910 -4.2356 -4.2294 -0.2107 -0.2106 0.3611 0.3663 1.5354 1.5451 5.0012 5.0012 8.1844 8.1877 12.0821 12.0877 12.5769 12.5771 k = 0.1696-0.1478 0.1532 ( 3471 PWs) bands (ev): -47.8709 -47.8709 -22.8779 -22.8778 -19.9138 -19.9101 -19.7417 -19.7388 -19.7255 -19.7250 -18.0291 -18.0288 -7.7625 -7.7624 -5.1824 -5.1779 -4.4964 -4.4964 -4.2243 -4.2181 -0.2056 -0.2055 0.3439 0.3491 1.5513 1.5612 5.0140 5.0140 8.2270 8.2303 12.0038 12.0087 12.5064 12.5071 k = 0.1781-0.1552 0.1609 ( 3479 PWs) bands (ev): -47.8709 -47.8709 -22.8766 -22.8765 -19.9139 -19.9096 -19.7416 -19.7382 -19.7257 -19.7251 -18.0331 -18.0328 -7.7623 -7.7622 -5.1857 -5.1812 -4.5020 -4.5019 -4.2147 -4.2084 -0.2003 -0.2002 0.3287 0.3339 1.5673 1.5774 5.0269 5.0269 8.2704 8.2737 11.9238 11.9283 12.4351 12.4362 k = 0.1866-0.1626 0.1686 ( 3471 PWs) bands (ev): -47.8709 -47.8709 -22.8753 -22.8751 -19.9139 -19.9092 -19.7415 -19.7377 -19.7258 -19.7251 -18.0368 -18.0367 -7.7632 -7.7632 -5.1868 -5.1824 -4.5076 -4.5075 -4.2066 -4.2004 -0.1947 -0.1946 0.3157 0.3210 1.5832 1.5934 5.0400 5.0400 8.3143 8.3177 11.8426 11.8466 12.3637 12.3651 k = 0.1951-0.1700 0.1762 ( 3471 PWs) bands (ev): -47.8709 -47.8709 -22.8740 -22.8738 -19.9141 -19.9088 -19.7417 -19.7373 -19.7259 -19.7251 -18.0404 -18.0403 -7.7653 -7.7653 -5.1858 -5.1814 -4.5134 -4.5133 -4.2003 -4.1941 -0.1889 -0.1888 0.3050 0.3104 1.5990 1.6094 5.0531 5.0532 8.3588 8.3622 11.7606 11.7642 12.2925 12.2943 k = 0.2036-0.1774 0.1839 ( 3467 PWs) bands (ev): -47.8709 -47.8709 -22.8726 -22.8724 -19.9144 -19.9085 -19.7419 -19.7370 -19.7260 -19.7251 -18.0438 -18.0437 -7.7687 -7.7687 -5.1826 -5.1783 -4.5192 -4.5192 -4.1956 -4.1895 -0.1829 -0.1828 0.2969 0.3024 1.6146 1.6251 5.0663 5.0663 8.4037 8.4071 11.6780 11.6813 12.2222 12.2241 k = 0.2121-0.1847 0.1916 ( 3457 PWs) bands (ev): -47.8708 -47.8708 -22.8711 -22.8709 -19.9147 -19.9082 -19.7422 -19.7368 -19.7260 -19.7251 -18.0469 -18.0469 -7.7734 -7.7733 -5.1772 -5.1729 -4.5252 -4.5251 -4.1927 -4.1866 -0.1767 -0.1766 0.2914 0.2970 1.6300 1.6406 5.0795 5.0795 8.4490 8.4524 11.5951 11.5981 12.1529 12.1551 k = 0.2205-0.1921 0.1992 ( 3457 PWs) bands (ev): -47.8708 -47.8708 -22.8696 -22.8694 -19.9151 -19.9081 -19.7427 -19.7368 -19.7261 -19.7251 -18.0498 -18.0498 -7.7794 -7.7792 -5.1697 -5.1655 -4.5312 -4.5311 -4.1914 -4.1853 -0.1703 -0.1702 0.2887 0.2944 1.6450 1.6557 5.0925 5.0926 8.4945 8.4979 11.5122 11.5149 12.0851 12.0874 k = 0.2290-0.1995 0.2069 ( 3469 PWs) bands (ev): -47.8708 -47.8708 -22.8681 -22.8679 -19.9157 -19.9081 -19.7435 -19.7370 -19.7262 -19.7251 -18.0524 -18.0523 -7.7866 -7.7865 -5.1603 -5.1561 -4.5373 -4.5372 -4.1917 -4.1858 -0.1637 -0.1637 0.2888 0.2946 1.6596 1.6705 5.1055 5.1055 8.5403 8.5436 11.4294 11.4318 12.0189 12.0213 k = 0.2375-0.2069 0.2145 ( 3461 PWs) bands (ev): -47.8708 -47.8708 -22.8666 -22.8664 -19.9162 -19.9080 -19.7442 -19.7372 -19.7262 -19.7250 -18.0547 -18.0546 -7.7951 -7.7949 -5.1488 -5.1448 -4.5433 -4.5433 -4.1936 -4.1877 -0.1570 -0.1570 0.2919 0.2978 1.6738 1.6848 5.1182 5.1183 8.5862 8.5895 11.3469 11.3492 11.9545 11.9570 k = 0.2460-0.2143 0.2222 ( 3465 PWs) bands (ev): -47.8708 -47.8708 -22.8651 -22.8649 -19.9168 -19.9081 -19.7451 -19.7376 -19.7263 -19.7251 -18.0568 -18.0565 -7.8047 -7.8045 -5.1356 -5.1316 -4.5494 -4.5493 -4.1971 -4.1913 -0.1502 -0.1502 0.2979 0.3040 1.6875 1.6986 5.1308 5.1308 8.6323 8.6356 11.2650 11.2671 11.8921 11.8947 k = 0.2545-0.2217 0.2299 ( 3469 PWs) bands (ev): -47.8708 -47.8708 -22.8635 -22.8633 -19.9176 -19.9083 -19.7462 -19.7381 -19.7264 -19.7251 -18.0584 -18.0581 -7.8155 -7.8153 -5.1207 -5.1167 -4.5555 -4.5554 -4.2021 -4.1963 -0.1432 -0.1432 0.3069 0.3131 1.7005 1.7117 5.1430 5.1431 8.6786 8.6817 11.1837 11.1857 11.8317 11.8343 k = 0.2629-0.2291 0.2375 ( 3461 PWs) bands (ev): -47.8708 -47.8708 -22.8619 -22.8617 -19.9183 -19.9085 -19.7473 -19.7387 -19.7264 -19.7251 -18.0598 -18.0594 -7.8274 -7.8271 -5.1042 -5.1003 -4.5615 -4.5615 -4.2083 -4.2027 -0.1362 -0.1362 0.3188 0.3251 1.7129 1.7242 5.1550 5.1550 8.7249 8.7279 11.1034 11.1053 11.7735 11.7761 k = 0.2714-0.2365 0.2452 ( 3457 PWs) bands (ev): -47.8708 -47.8708 -22.8604 -22.8601 -19.9191 -19.9089 -19.7485 -19.7394 -19.7265 -19.7252 -18.0608 -18.0604 -7.8402 -7.8399 -5.0862 -5.0824 -4.5675 -4.5675 -4.2159 -4.2103 -0.1291 -0.1290 0.3337 0.3401 1.7245 1.7359 5.1667 5.1667 8.7713 8.7743 11.0241 11.0259 11.7175 11.7201 k = 0.2799-0.2439 0.2528 ( 3455 PWs) bands (ev): -47.8707 -47.8707 -22.8588 -22.8586 -19.9200 -19.9093 -19.7499 -19.7402 -19.7266 -19.7252 -18.0615 -18.0610 -7.8539 -7.8536 -5.0670 -5.0633 -4.5735 -4.5734 -4.2246 -4.2192 -0.1219 -0.1219 0.3513 0.3579 1.7353 1.7468 5.1779 5.1780 8.8179 8.8207 10.9460 10.9478 11.6636 11.6662 k = 0.2884-0.2513 0.2605 ( 3455 PWs) bands (ev): -47.8707 -47.8707 -22.8572 -22.8570 -19.9210 -19.9098 -19.7513 -19.7411 -19.7267 -19.7254 -18.0618 -18.0613 -7.8684 -7.8681 -5.0468 -5.0430 -4.5793 -4.5793 -4.2344 -4.2290 -0.1147 -0.1147 0.3717 0.3784 1.7452 1.7568 5.1888 5.1889 8.8646 8.8673 10.8693 10.8710 11.6120 11.6145 k = 0.2969-0.2586 0.2682 ( 3451 PWs) bands (ev): -47.8707 -47.8707 -22.8557 -22.8554 -19.9220 -19.9105 -19.7527 -19.7421 -19.7267 -19.7255 -18.0619 -18.0613 -7.8835 -7.8832 -5.0256 -5.0219 -4.5851 -4.5850 -4.2452 -4.2399 -0.1075 -0.1075 0.3947 0.4016 1.7542 1.7658 5.1993 5.1994 8.9114 8.9140 10.7942 10.7959 11.5626 11.5649 k = 0.3054-0.2660 0.2758 ( 3447 PWs) bands (ev): -47.8707 -47.8707 -22.8541 -22.8539 -19.9230 -19.9112 -19.7542 -19.7432 -19.7268 -19.7256 -18.0616 -18.0610 -7.8991 -7.8988 -5.0036 -5.0000 -4.5907 -4.5907 -4.2567 -4.2515 -0.1003 -0.1003 0.4202 0.4272 1.7621 1.7738 5.2094 5.2094 8.9584 8.9609 10.7207 10.7224 11.5153 11.5176 k = 0.3138-0.2734 0.2835 ( 3451 PWs) bands (ev): -47.8707 -47.8707 -22.8526 -22.8523 -19.9241 -19.9120 -19.7558 -19.7444 -19.7269 -19.7258 -18.0611 -18.0604 -7.9152 -7.9149 -4.9811 -4.9775 -4.5963 -4.5962 -4.2689 -4.2638 -0.0931 -0.0931 0.4480 0.4552 1.7689 1.7807 5.2190 5.2190 9.0056 9.0079 10.6492 10.6509 11.4703 11.4724 k = 0.3223-0.2808 0.2912 ( 3445 PWs) bands (ev): -47.8707 -47.8707 -22.8510 -22.8508 -19.9252 -19.9130 -19.7573 -19.7457 -19.7270 -19.7260 -18.0603 -18.0596 -7.9316 -7.9312 -4.9581 -4.9546 -4.6017 -4.6016 -4.2817 -4.2767 -0.0860 -0.0860 0.4780 0.4854 1.7745 1.7863 5.2281 5.2282 9.0531 9.0552 10.5796 10.5813 11.4274 11.4293 k = 0.3308-0.2882 0.2988 ( 3445 PWs) bands (ev): -47.8707 -47.8707 -22.8496 -22.8493 -19.9263 -19.9140 -19.7589 -19.7470 -19.7271 -19.7262 -18.0592 -18.0585 -7.9481 -7.9478 -4.9350 -4.9315 -4.6069 -4.6068 -4.2949 -4.2900 -0.0790 -0.0790 0.5101 0.5176 1.7790 1.7908 5.2368 5.2368 9.1008 9.1028 10.5123 10.5140 11.3866 11.3884 k = 0.3393-0.2956 0.3065 ( 3437 PWs) bands (ev): -47.8707 -47.8707 -22.8481 -22.8479 -19.9274 -19.9151 -19.7604 -19.7484 -19.7272 -19.7263 -18.0580 -18.0573 -7.9647 -7.9643 -4.9118 -4.9083 -4.6120 -4.6119 -4.3083 -4.3035 -0.0721 -0.0721 0.5440 0.5516 1.7821 1.7940 5.2450 5.2450 9.1489 9.1506 10.4473 10.4491 11.3478 11.3494 k = 0.3478-0.3030 0.3141 ( 3441 PWs) bands (ev): -47.8707 -47.8707 -22.8467 -22.8465 -19.9286 -19.9163 -19.7619 -19.7499 -19.7273 -19.7265 -18.0566 -18.0558 -7.9812 -7.9809 -4.8886 -4.8852 -4.6169 -4.6168 -4.3220 -4.3173 -0.0654 -0.0654 0.5794 0.5872 1.7839 1.7958 5.2527 5.2527 9.1972 9.1988 10.3849 10.3868 11.3111 11.3125 k = 0.3563-0.3104 0.3218 ( 3441 PWs) bands (ev): -47.8706 -47.8706 -22.8453 -22.8451 -19.9297 -19.9175 -19.7634 -19.7514 -19.7274 -19.7267 -18.0550 -18.0542 -7.9976 -7.9972 -4.8658 -4.8624 -4.6216 -4.6215 -4.3357 -4.3311 -0.0588 -0.0588 0.6162 0.6241 1.7844 1.7962 5.2599 5.2599 9.2459 9.2473 10.3253 10.3272 11.2763 11.2775 k = 0.3647-0.3178 0.3295 ( 3439 PWs) bands (ev): -47.8706 -47.8706 -22.8440 -22.8438 -19.9308 -19.9189 -19.7648 -19.7529 -19.7275 -19.7269 -18.0532 -18.0525 -8.0136 -8.0133 -4.8433 -4.8399 -4.6261 -4.6260 -4.3493 -4.3448 -0.0525 -0.0525 0.6541 0.6622 1.7835 1.7953 5.2666 5.2666 9.2949 9.2960 10.2687 10.2708 11.2435 11.2443 k = 0.3732-0.3251 0.3371 ( 3435 PWs) bands (ev): -47.8706 -47.8706 -22.8427 -22.8425 -19.9319 -19.9202 -19.7661 -19.7545 -19.7276 -19.7270 -18.0514 -18.0506 -8.0293 -8.0290 -4.8214 -4.8180 -4.6304 -4.6303 -4.3628 -4.3584 -0.0464 -0.0464 0.6929 0.7011 1.7813 1.7930 5.2728 5.2729 9.3441 9.3449 10.2155 10.2177 11.2124 11.2130 k = 0.3817-0.3325 0.3448 ( 3435 PWs) bands (ev): -47.8706 -47.8706 -22.8415 -22.8413 -19.9330 -19.9216 -19.7674 -19.7560 -19.7277 -19.7272 -18.0495 -18.0488 -8.0444 -8.0441 -4.8002 -4.7968 -4.6344 -4.6343 -4.3759 -4.3717 -0.0405 -0.0405 0.7323 0.7406 1.7776 1.7892 5.2786 5.2786 9.3933 9.3939 10.1660 10.1683 11.1830 11.1832 k = 0.3902-0.3399 0.3525 ( 3427 PWs) bands (ev): -47.8706 -47.8706 -22.8403 -22.8401 -19.9339 -19.9231 -19.7685 -19.7575 -19.7278 -19.7273 -18.0476 -18.0468 -8.0590 -8.0587 -4.7798 -4.7764 -4.6382 -4.6381 -4.3887 -4.3845 -0.0349 -0.0349 0.7721 0.7804 1.7726 1.7840 5.2839 5.2839 9.4423 9.4425 10.1208 10.1232 11.1550 11.1551 k = 0.3987-0.3473 0.3601 ( 3415 PWs) bands (ev): -47.8706 -47.8706 -22.8392 -22.8390 -19.9348 -19.9245 -19.7694 -19.7590 -19.7278 -19.7275 -18.0456 -18.0449 -8.0728 -8.0725 -4.7603 -4.7570 -4.6417 -4.6416 -4.4010 -4.3969 -0.0296 -0.0296 0.8118 0.8201 1.7663 1.7775 5.2888 5.2888 9.4904 9.4904 10.0805 10.0831 11.1279 11.1284 k = 0.4071-0.3547 0.3678 ( 3418 PWs) bands (ev): -47.8706 -47.8706 -22.8382 -22.8380 -19.9357 -19.9259 -19.7704 -19.7605 -19.7280 -19.7276 -18.0437 -18.0430 -8.0859 -8.0856 -4.7418 -4.7386 -4.6451 -4.6449 -4.4127 -4.4088 -0.0247 -0.0247 0.8513 0.8595 1.7587 1.7697 5.2932 5.2932 9.5366 9.5370 10.0462 10.0490 11.1017 11.1027 k = 0.4156-0.3621 0.3754 ( 3420 PWs) bands (ev): -47.8706 -47.8706 -22.8373 -22.8371 -19.9365 -19.9274 -19.7712 -19.7619 -19.7281 -19.7278 -18.0418 -18.0412 -8.0981 -8.0978 -4.7245 -4.7213 -4.6481 -4.6480 -4.4238 -4.4200 -0.0201 -0.0201 0.8900 0.8982 1.7500 1.7607 5.2971 5.2971 9.5798 9.5806 10.0193 10.0224 11.0757 11.0772 k = 0.4241-0.3695 0.3831 ( 3420 PWs) bands (ev): -47.8706 -47.8706 -22.8364 -22.8363 -19.9372 -19.9288 -19.7719 -19.7633 -19.7281 -19.7279 -18.0400 -18.0395 -8.1093 -8.1091 -4.7085 -4.7053 -4.6509 -4.6507 -4.4342 -4.4306 -0.0159 -0.0159 0.9277 0.9357 1.7404 1.7506 5.3006 5.3007 9.6179 9.6191 10.0022 10.0056 11.0489 11.0511 k = 0.4326-0.3769 0.3908 ( 3412 PWs) bands (ev): -47.8705 -47.8705 -22.8356 -22.8355 -19.9377 -19.9301 -19.7724 -19.7646 -19.7282 -19.7280 -18.0384 -18.0379 -8.1196 -8.1193 -4.6937 -4.6907 -4.6534 -4.6531 -4.4437 -4.4403 -0.0120 -0.0120 0.9640 0.9717 1.7300 1.7398 5.3038 5.3038 9.6483 9.6498 9.9975 10.0010 11.0197 11.0226 k = 0.4411-0.3843 0.3984 ( 3410 PWs) bands (ev): -47.8705 -47.8705 -22.8349 -22.8348 -19.9382 -19.9314 -19.7728 -19.7659 -19.7283 -19.7281 -18.0368 -18.0364 -8.1287 -8.1285 -4.6805 -4.6774 -4.6556 -4.6552 -4.4524 -4.4492 -0.0086 -0.0086 0.9983 1.0056 1.7192 1.7284 5.3065 5.3065 9.6690 9.6706 10.0074 10.0108 10.9855 10.9890 k = 0.4496-0.3917 0.4061 ( 3406 PWs) bands (ev): -47.8705 -47.8705 -22.8343 -22.8342 -19.9385 -19.9327 -19.7731 -19.7670 -19.7283 -19.7281 -18.0354 -18.0350 -8.1368 -8.1366 -4.6689 -4.6658 -4.6574 -4.6568 -4.4602 -4.4572 -0.0056 -0.0056 1.0301 1.0369 1.7084 1.7167 5.3088 5.3088 9.6798 9.6813 10.0317 10.0349 10.9429 10.9468 k = 0.4580-0.3990 0.4138 ( 3410 PWs) bands (ev): -47.8705 -47.8705 -22.8338 -22.8337 -19.9388 -19.9338 -19.7732 -19.7682 -19.7283 -19.7282 -18.0343 -18.0339 -8.1437 -8.1435 -4.6615 -4.6597 -4.6555 -4.6550 -4.4669 -4.4643 -0.0031 -0.0031 1.0589 1.0650 1.6979 1.7053 5.3108 5.3108 9.6829 9.6841 10.0677 10.0705 10.8904 10.8941 k = 0.4665-0.4064 0.4214 ( 3410 PWs) bands (ev): -47.8705 -47.8705 -22.8333 -22.8333 -19.9389 -19.9349 -19.7733 -19.7692 -19.7284 -19.7283 -18.0332 -18.0330 -8.1493 -8.1492 -4.6612 -4.6607 -4.6484 -4.6470 -4.4725 -4.4703 -0.0010 -0.0010 1.0839 1.0892 1.6883 1.6946 5.3124 5.3124 9.6815 9.6824 10.1110 10.1134 10.8304 10.8335 k = 0.4750-0.4138 0.4291 ( 3428 PWs) bands (ev): -47.8706 -47.8706 -22.8330 -22.8329 -19.9389 -19.9359 -19.7733 -19.7702 -19.7285 -19.7284 -18.0324 -18.0322 -8.1538 -8.1537 -4.6620 -4.6618 -4.6418 -4.6405 -4.4769 -4.4752 0.0007 0.0007 1.1045 1.1086 1.6802 1.6851 5.3136 5.3136 9.6781 9.6788 10.1570 10.1589 10.7690 10.7714 k = 0.4750-0.4138 0.4291 ( 3428 PWs) bands (ev): -47.8706 -47.8706 -22.8330 -22.8329 -19.9389 -19.9359 -19.7733 -19.7702 -19.7285 -19.7284 -18.0324 -18.0322 -8.1538 -8.1537 -4.6620 -4.6618 -4.6418 -4.6405 -4.4769 -4.4752 0.0007 0.0007 1.1045 1.1086 1.6802 1.6851 5.3136 5.3136 9.6781 9.6788 10.1570 10.1589 10.7690 10.7714 k = 0.4756-0.4014 0.4239 ( 3418 PWs) bands (ev): -47.8705 -47.8705 -22.8332 -22.8332 -19.9389 -19.9352 -19.7733 -19.7695 -19.7284 -19.7283 -18.0329 -18.0327 -8.1508 -8.1507 -4.6613 -4.6610 -4.6463 -4.6448 -4.4740 -4.4720 -0.0005 -0.0005 1.0908 1.0958 1.6855 1.6913 5.3126 5.3126 9.6773 9.6781 10.1260 10.1282 10.8124 10.8153 k = 0.4763-0.3891 0.4187 ( 3418 PWs) bands (ev): -47.8705 -47.8705 -22.8336 -22.8335 -19.9388 -19.9345 -19.7733 -19.7688 -19.7284 -19.7282 -18.0335 -18.0332 -8.1471 -8.1470 -4.6607 -4.6600 -4.6516 -4.6503 -4.4705 -4.4682 -0.0021 -0.0021 1.0747 1.0803 1.6914 1.6981 5.3111 5.3111 9.6704 9.6714 10.0951 10.0976 10.8613 10.8646 k = 0.4769-0.3767 0.4134 ( 3414 PWs) bands (ev): -47.8705 -47.8705 -22.8341 -22.8340 -19.9387 -19.9337 -19.7731 -19.7680 -19.7283 -19.7281 -18.0341 -18.0338 -8.1427 -8.1426 -4.6618 -4.6594 -4.6562 -4.6559 -4.4664 -4.4639 -0.0041 -0.0041 1.0565 1.0626 1.6978 1.7052 5.3091 5.3091 9.6581 9.6592 10.0645 10.0672 10.9157 10.9192 k = 0.4776-0.3643 0.4082 ( 3412 PWs) bands (ev): -47.8705 -47.8705 -22.8346 -22.8345 -19.9384 -19.9328 -19.7729 -19.7672 -19.7282 -19.7280 -18.0348 -18.0344 -8.1376 -8.1375 -4.6682 -4.6653 -4.6565 -4.6559 -4.4617 -4.4589 -0.0066 -0.0066 1.0364 1.0429 1.7044 1.7124 5.3066 5.3066 9.6416 9.6428 10.0342 10.0370 10.9756 10.9792 k = 0.4782-0.3519 0.4030 ( 3414 PWs) bands (ev): -47.8705 -47.8705 -22.8353 -22.8352 -19.9381 -19.9319 -19.7726 -19.7663 -19.7280 -19.7279 -18.0355 -18.0350 -8.1318 -8.1316 -4.6769 -4.6742 -4.6547 -4.6543 -4.4562 -4.4534 -0.0094 -0.0094 1.0146 1.0216 1.7110 1.7195 5.3036 5.3036 9.6219 9.6232 10.0040 10.0070 11.0408 11.0445 k = 0.4788-0.3395 0.3978 ( 3413 PWs) bands (ev): -47.8706 -47.8706 -22.8360 -22.8359 -19.9377 -19.9310 -19.7722 -19.7654 -19.7279 -19.7277 -18.0362 -18.0358 -8.1253 -8.1251 -4.6870 -4.6843 -4.6525 -4.6522 -4.4502 -4.4472 -0.0126 -0.0126 0.9916 0.9988 1.7175 1.7264 5.3001 5.3001 9.6000 9.6014 9.9740 9.9771 11.1112 11.1148 k = 0.4795-0.3271 0.3926 ( 3413 PWs) bands (ev): -47.8706 -47.8706 -22.8369 -22.8368 -19.9372 -19.9300 -19.7718 -19.7644 -19.7277 -19.7274 -18.0370 -18.0365 -8.1182 -8.1180 -4.6982 -4.6956 -4.6500 -4.6498 -4.4434 -4.4404 -0.0162 -0.0162 0.9675 0.9749 1.7236 1.7329 5.2962 5.2962 9.5766 9.5781 9.9444 9.9475 11.1861 11.1897 k = 0.4801-0.3148 0.3874 ( 3418 PWs) bands (ev): -47.8706 -47.8706 -22.8378 -22.8377 -19.9366 -19.9289 -19.7712 -19.7634 -19.7275 -19.7272 -18.0378 -18.0373 -8.1105 -8.1102 -4.7106 -4.7080 -4.6472 -4.6471 -4.4360 -4.4330 -0.0201 -0.0201 0.9424 0.9500 1.7293 1.7388 5.2919 5.2919 9.5525 9.5540 9.9153 9.9185 11.2650 11.2683 k = 0.4808-0.3024 0.3822 ( 3424 PWs) bands (ev): -47.8706 -47.8706 -22.8388 -22.8387 -19.9360 -19.9279 -19.7706 -19.7624 -19.7274 -19.7270 -18.0387 -18.0382 -8.1021 -8.1019 -4.7240 -4.7215 -4.6442 -4.6441 -4.4281 -4.4250 -0.0244 -0.0244 0.9167 0.9244 1.7344 1.7442 5.2872 5.2872 9.5280 9.5295 9.8871 9.8904 11.3468 11.3498 k = 0.4814-0.2900 0.3770 ( 3420 PWs) bands (ev): -47.8706 -47.8706 -22.8399 -22.8398 -19.9352 -19.9267 -19.7698 -19.7613 -19.7271 -19.7267 -18.0396 -18.0390 -8.0932 -8.0929 -4.7384 -4.7360 -4.6410 -4.6409 -4.4195 -4.4165 -0.0289 -0.0289 0.8906 0.8983 1.7389 1.7488 5.2822 5.2822 9.5035 9.5050 9.8600 9.8634 11.4305 11.4330 k = 0.4821-0.2776 0.3717 ( 3426 PWs) bands (ev): -47.8706 -47.8706 -22.8410 -22.8409 -19.9345 -19.9256 -19.7690 -19.7602 -19.7269 -19.7264 -18.0405 -18.0399 -8.0837 -8.0834 -4.7538 -4.7514 -4.6376 -4.6375 -4.4104 -4.4075 -0.0338 -0.0337 0.8641 0.8718 1.7427 1.7527 5.2768 5.2769 9.4790 9.4805 9.8344 9.8378 11.5152 11.5170 k = 0.4827-0.2652 0.3665 ( 3429 PWs) bands (ev): -47.8706 -47.8706 -22.8422 -22.8421 -19.9336 -19.9245 -19.7681 -19.7591 -19.7267 -19.7261 -18.0415 -18.0408 -8.0737 -8.0734 -4.7700 -4.7678 -4.6340 -4.6340 -4.4009 -4.3979 -0.0388 -0.0388 0.8375 0.8451 1.7458 1.7558 5.2712 5.2712 9.4547 9.4562 9.8105 9.8139 11.5997 11.6007 k = 0.4833-0.2528 0.3613 ( 3429 PWs) bands (ev): -47.8706 -47.8706 -22.8435 -22.8433 -19.9327 -19.9233 -19.7671 -19.7579 -19.7264 -19.7257 -18.0424 -18.0418 -8.0633 -8.0630 -4.7871 -4.7849 -4.6303 -4.6302 -4.3909 -4.3880 -0.0442 -0.0442 0.8108 0.8184 1.7481 1.7581 5.2653 5.2654 9.4307 9.4321 9.7885 9.7919 11.6835 11.6836 k = 0.4840-0.2404 0.3561 ( 3439 PWs) bands (ev): -47.8706 -47.8706 -22.8448 -22.8446 -19.9318 -19.9222 -19.7661 -19.7568 -19.7262 -19.7254 -18.0434 -18.0427 -8.0524 -8.0521 -4.8049 -4.8028 -4.6264 -4.6263 -4.3805 -4.3777 -0.0497 -0.0497 0.7843 0.7918 1.7497 1.7597 5.2593 5.2593 9.4069 9.4082 9.7687 9.7721 11.7654 11.7661 k = 0.4846-0.2281 0.3509 ( 3438 PWs) bands (ev): -47.8706 -47.8706 -22.8461 -22.8460 -19.9308 -19.9211 -19.7650 -19.7556 -19.7259 -19.7250 -18.0444 -18.0437 -8.0411 -8.0408 -4.8233 -4.8213 -4.6224 -4.6223 -4.3698 -4.3671 -0.0554 -0.0554 0.7581 0.7654 1.7506 1.7605 5.2531 5.2531 9.3833 9.3846 9.7512 9.7545 11.8461 11.8476 k = 0.4853-0.2157 0.3457 ( 3438 PWs) bands (ev): -47.8706 -47.8706 -22.8475 -22.8473 -19.9298 -19.9200 -19.7638 -19.7545 -19.7256 -19.7246 -18.0454 -18.0447 -8.0295 -8.0292 -4.8422 -4.8403 -4.6182 -4.6182 -4.3589 -4.3563 -0.0612 -0.0612 0.7323 0.7394 1.7508 1.7605 5.2468 5.2468 9.3601 9.3613 9.7360 9.7392 11.9258 11.9279 k = 0.4859-0.2033 0.3405 ( 3445 PWs) bands (ev): -47.8707 -47.8707 -22.8489 -22.8487 -19.9288 -19.9189 -19.7626 -19.7533 -19.7254 -19.7242 -18.0464 -18.0457 -8.0176 -8.0173 -4.8616 -4.8599 -4.6141 -4.6140 -4.3477 -4.3452 -0.0671 -0.0671 0.7069 0.7139 1.7503 1.7599 5.2404 5.2404 9.3371 9.3382 9.7231 9.7262 12.0045 12.0072 k = 0.4865-0.1909 0.3353 ( 3447 PWs) bands (ev): -47.8707 -47.8707 -22.8503 -22.8501 -19.9277 -19.9179 -19.7613 -19.7522 -19.7251 -19.7239 -18.0474 -18.0467 -8.0055 -8.0052 -4.8814 -4.8798 -4.6098 -4.6098 -4.3364 -4.3340 -0.0731 -0.0731 0.6821 0.6889 1.7491 1.7586 5.2339 5.2339 9.3145 9.3155 9.7126 9.7156 12.0823 12.0855 k = 0.4872-0.1785 0.3301 ( 3445 PWs) bands (ev): -47.8707 -47.8707 -22.8517 -22.8515 -19.9266 -19.9168 -19.7600 -19.7510 -19.7248 -19.7234 -18.0483 -18.0476 -7.9932 -7.9929 -4.9014 -4.8999 -4.6055 -4.6055 -4.3251 -4.3228 -0.0791 -0.0791 0.6579 0.6645 1.7475 1.7566 5.2275 5.2275 9.2923 9.2931 9.7043 9.7071 12.1593 12.1628 k = 0.4878-0.1661 0.3248 ( 3439 PWs) bands (ev): -47.8707 -47.8707 -22.8530 -22.8529 -19.9254 -19.9158 -19.7586 -19.7499 -19.7245 -19.7230 -18.0493 -18.0486 -7.9808 -7.9805 -4.9215 -4.9201 -4.6013 -4.6012 -4.3137 -4.3115 -0.0851 -0.0851 0.6345 0.6409 1.7453 1.7542 5.2211 5.2211 9.2706 9.2713 9.6981 9.7008 12.2354 12.2393 k = 0.4885-0.1538 0.3196 ( 3440 PWs) bands (ev): -47.8707 -47.8707 -22.8544 -22.8542 -19.9243 -19.9149 -19.7572 -19.7488 -19.7242 -19.7226 -18.0502 -18.0496 -7.9683 -7.9680 -4.9417 -4.9403 -4.5970 -4.5970 -4.3024 -4.3003 -0.0911 -0.0911 0.6120 0.6181 1.7426 1.7512 5.2148 5.2148 9.2494 9.2500 9.6938 9.6964 12.3107 12.3147 k = 0.4891-0.1414 0.3144 ( 3438 PWs) bands (ev): -47.8707 -47.8707 -22.8558 -22.8556 -19.9232 -19.9140 -19.7558 -19.7478 -19.7239 -19.7222 -18.0512 -18.0505 -7.9559 -7.9556 -4.9617 -4.9605 -4.5928 -4.5928 -4.2913 -4.2893 -0.0970 -0.0970 0.5903 0.5962 1.7396 1.7479 5.2086 5.2086 9.2288 9.2293 9.6913 9.6937 12.3849 12.3892 k = 0.4897-0.1290 0.3092 ( 3442 PWs) bands (ev): -47.8707 -47.8707 -22.8571 -22.8569 -19.9221 -19.9132 -19.7545 -19.7468 -19.7236 -19.7218 -18.0521 -18.0514 -7.9436 -7.9433 -4.9815 -4.9804 -4.5887 -4.5887 -4.2803 -4.2785 -0.1028 -0.1028 0.5695 0.5751 1.7362 1.7442 5.2025 5.2025 9.2090 9.2094 9.6904 9.6926 12.4581 12.4624 k = 0.4904-0.1166 0.3040 ( 3444 PWs) bands (ev): -47.8707 -47.8707 -22.8584 -22.8582 -19.9210 -19.9124 -19.7531 -19.7458 -19.7233 -19.7215 -18.0529 -18.0523 -7.9315 -7.9312 -5.0010 -4.9999 -4.5847 -4.5847 -4.2697 -4.2679 -0.1085 -0.1085 0.5498 0.5551 1.7326 1.7403 5.1966 5.1966 9.1900 9.1903 9.6908 9.6929 12.5300 12.5344 k = 0.4910-0.1042 0.2988 ( 3448 PWs) bands (ev): -47.8707 -47.8707 -22.8596 -22.8595 -19.9200 -19.9117 -19.7517 -19.7449 -19.7230 -19.7211 -18.0538 -18.0532 -7.9196 -7.9193 -5.0200 -5.0190 -4.5808 -4.5808 -4.2593 -4.2577 -0.1140 -0.1139 0.5312 0.5362 1.7289 1.7361 5.1910 5.1910 9.1719 9.1721 9.6924 9.6943 12.6004 12.6049 k = 0.4917-0.0918 0.2936 ( 3446 PWs) bands (ev): -47.8707 -47.8707 -22.8608 -22.8607 -19.9189 -19.9111 -19.7504 -19.7440 -19.7228 -19.7208 -18.0545 -18.0540 -7.9081 -7.9078 -5.0384 -5.0375 -4.5771 -4.5770 -4.2493 -4.2478 -0.1192 -0.1192 0.5136 0.5184 1.7250 1.7318 5.1856 5.1856 9.1547 9.1549 9.6950 9.6967 12.6692 12.6737 k = 0.4923-0.0795 0.2884 ( 3442 PWs) bands (ev): -47.8707 -47.8707 -22.8619 -22.8618 -19.9179 -19.9105 -19.7491 -19.7432 -19.7225 -19.7205 -18.0553 -18.0547 -7.8969 -7.8967 -5.0560 -5.0552 -4.5735 -4.5735 -4.2398 -4.2384 -0.1243 -0.1243 0.4973 0.5017 1.7212 1.7275 5.1804 5.1804 9.1386 9.1387 9.6983 9.6999 12.7362 12.7405 k = 0.4929-0.0671 0.2832 ( 3441 PWs) bands (ev): -47.8707 -47.8707 -22.8630 -22.8629 -19.9168 -19.9099 -19.7478 -19.7425 -19.7222 -19.7202 -18.0560 -18.0555 -7.8863 -7.8861 -5.0728 -5.0721 -4.5701 -4.5701 -4.2308 -4.2295 -0.1290 -0.1290 0.4821 0.4861 1.7173 1.7233 5.1756 5.1756 9.1236 9.1236 9.7022 9.7036 12.8009 12.8051 k = 0.4936-0.0547 0.2779 ( 3440 PWs) bands (ev): -47.8707 -47.8707 -22.8640 -22.8639 -19.9159 -19.9095 -19.7466 -19.7418 -19.7219 -19.7200 -18.0566 -18.0562 -7.8763 -7.8761 -5.0886 -5.0879 -4.5669 -4.5669 -4.2224 -4.2212 -0.1335 -0.1335 0.4681 0.4719 1.7136 1.7191 5.1711 5.1712 9.1097 9.1098 9.7065 9.7078 12.8631 12.8672 k = 0.4942-0.0423 0.2727 ( 3439 PWs) bands (ev): -47.8707 -47.8707 -22.8649 -22.8648 -19.9150 -19.9091 -19.7454 -19.7411 -19.7217 -19.7198 -18.0572 -18.0568 -7.8669 -7.8667 -5.1033 -5.1027 -4.5640 -4.5640 -4.2146 -4.2135 -0.1376 -0.1376 0.4554 0.4588 1.7101 1.7150 5.1670 5.1670 9.0970 9.0971 9.7109 9.7121 12.9224 12.9262 k = 0.4949-0.0299 0.2675 ( 3441 PWs) bands (ev): -47.8707 -47.8707 -22.8657 -22.8656 -19.9141 -19.9089 -19.7444 -19.7406 -19.7215 -19.7197 -18.0578 -18.0574 -7.8583 -7.8581 -5.1168 -5.1163 -4.5613 -4.5613 -4.2075 -4.2065 -0.1414 -0.1414 0.4440 0.4471 1.7067 1.7112 5.1633 5.1633 9.0856 9.0856 9.7154 9.7164 12.9783 12.9818 k = 0.4955-0.0175 0.2623 ( 3443 PWs) bands (ev): -47.8707 -47.8707 -22.8665 -22.8664 -19.9133 -19.9086 -19.7434 -19.7401 -19.7212 -19.7196 -18.0583 -18.0579 -7.8505 -7.8504 -5.1290 -5.1286 -4.5589 -4.5589 -4.2011 -4.2002 -0.1448 -0.1448 0.4339 0.4366 1.7037 1.7076 5.1599 5.1599 9.0754 9.0755 9.7198 9.7207 13.0302 13.0335 k = 0.4962-0.0051 0.2571 ( 3443 PWs) bands (ev): -47.8708 -47.8708 -22.8671 -22.8671 -19.9125 -19.9085 -19.7425 -19.7397 -19.7210 -19.7195 -18.0587 -18.0584 -7.8436 -7.8435 -5.1398 -5.1394 -4.5568 -4.5568 -4.1954 -4.1947 -0.1478 -0.1478 0.4252 0.4275 1.7010 1.7044 5.1569 5.1569 9.0665 9.0666 9.7239 9.7246 13.0775 13.0805 k = 0.4968 0.0072 0.2519 ( 3443 PWs) bands (ev): -47.8708 -47.8708 -22.8677 -22.8676 -19.9118 -19.9084 -19.7417 -19.7394 -19.7208 -19.7195 -18.0590 -18.0588 -7.8376 -7.8375 -5.1490 -5.1487 -4.5550 -4.5550 -4.1906 -4.1900 -0.1503 -0.1503 0.4178 0.4197 1.6987 1.7015 5.1544 5.1544 9.0590 9.0590 9.7275 9.7282 13.1196 13.1222 k = 0.4974 0.0196 0.2467 ( 3445 PWs) bands (ev): -47.8708 -47.8708 -22.8682 -22.8681 -19.9112 -19.9085 -19.7410 -19.7392 -19.7206 -19.7195 -18.0593 -18.0591 -7.8327 -7.8326 -5.1567 -5.1565 -4.5535 -4.5535 -4.1865 -4.1861 -0.1524 -0.1524 0.4117 0.4133 1.6968 1.6991 5.1524 5.1524 9.0528 9.0528 9.7307 9.7312 13.1556 13.1577 k = 0.4981 0.0320 0.2415 ( 3443 PWs) bands (ev): -47.8708 -47.8708 -22.8685 -22.8685 -19.9106 -19.9085 -19.7404 -19.7390 -19.7204 -19.7196 -18.0595 -18.0594 -7.8287 -7.8287 -5.1628 -5.1626 -4.5524 -4.5524 -4.1834 -4.1830 -0.1541 -0.1541 0.4071 0.4082 1.6953 1.6971 5.1507 5.1507 9.0479 9.0480 9.7333 9.7337 13.1848 13.1864 k = 0.4987 0.0444 0.2363 ( 3447 PWs) bands (ev): -47.8708 -47.8708 -22.8688 -22.8688 -19.9101 -19.9087 -19.7399 -19.7390 -19.7202 -19.7196 -18.0597 -18.0596 -7.8259 -7.8259 -5.1671 -5.1670 -4.5515 -4.5515 -4.1811 -4.1808 -0.1553 -0.1553 0.4038 0.4046 1.6944 1.6955 5.1495 5.1495 9.0445 9.0445 9.7353 9.7355 13.2064 13.2075 k = 0.4994 0.0568 0.2310 ( 3452 PWs) bands (ev): -47.8708 -47.8708 -22.8689 -22.8689 -19.9097 -19.9090 -19.7395 -19.7391 -19.7201 -19.7198 -18.0598 -18.0597 -7.8242 -7.8242 -5.1697 -5.1697 -4.5510 -4.5510 -4.1797 -4.1795 -0.1560 -0.1560 0.4019 0.4023 1.6939 1.6945 5.1488 5.1488 9.0424 9.0424 9.7365 9.7366 13.2197 13.2203 k = 0.5000 0.0692 0.2258 ( 3452 PWs) bands (ev): -47.8708 -47.8708 -22.8690 -22.8690 -19.9093 -19.9093 -19.7393 -19.7393 -19.7199 -19.7199 -18.0598 -18.0598 -7.8236 -7.8236 -5.1706 -5.1706 -4.5508 -4.5508 -4.1792 -4.1792 -0.1563 -0.1563 0.4014 0.4014 1.6939 1.6939 5.1486 5.1486 9.0417 9.0417 9.7369 9.7369 13.2244 13.2244 k = 0.5000 0.0692 0.2258 ( 3452 PWs) bands (ev): -47.8708 -47.8708 -22.8690 -22.8690 -19.9093 -19.9093 -19.7393 -19.7393 -19.7199 -19.7199 -18.0598 -18.0598 -7.8236 -7.8236 -5.1706 -5.1706 -4.5508 -4.5508 -4.1792 -4.1792 -0.1563 -0.1563 0.4014 0.4014 1.6939 1.6939 5.1486 5.1486 9.0417 9.0417 9.7369 9.7369 13.2244 13.2244 k = 0.4943 0.0741 0.2369 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8689 -22.8689 -19.9095 -19.9091 -19.7395 -19.7391 -19.7202 -19.7196 -18.0597 -18.0597 -7.8236 -7.8236 -5.1705 -5.1704 -4.5515 -4.5512 -4.1793 -4.1792 -0.1570 -0.1567 0.4016 0.4018 1.6941 1.6941 5.1478 5.1480 9.0432 9.0433 9.7384 9.7385 13.2250 13.2252 k = 0.4886 0.0791 0.2480 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8688 -22.8688 -19.9098 -19.9090 -19.7397 -19.7390 -19.7205 -19.7194 -18.0595 -18.0594 -7.8234 -7.8234 -5.1703 -5.1701 -4.5531 -4.5526 -4.1797 -4.1796 -0.1591 -0.1585 0.4023 0.4028 1.6946 1.6947 5.1458 5.1462 9.0478 9.0481 9.7430 9.7432 13.2270 13.2275 k = 0.4830 0.0840 0.2590 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8686 -22.8686 -19.9101 -19.9089 -19.7401 -19.7390 -19.7209 -19.7193 -18.0591 -18.0590 -7.8231 -7.8231 -5.1698 -5.1695 -4.5557 -4.5551 -4.1804 -4.1802 -0.1624 -0.1615 0.4036 0.4043 1.6955 1.6957 5.1424 5.1430 9.0556 9.0560 9.7507 9.7510 13.2303 13.2310 k = 0.4773 0.0890 0.2701 ( 3450 PWs) bands (ev): -47.8708 -47.8708 -22.8683 -22.8683 -19.9104 -19.9089 -19.7405 -19.7390 -19.7213 -19.7191 -18.0586 -18.0584 -7.8227 -7.8227 -5.1692 -5.1687 -4.5593 -4.5584 -4.1813 -4.1810 -0.1668 -0.1658 0.4054 0.4064 1.6968 1.6970 5.1378 5.1385 9.0664 9.0670 9.7615 9.7618 13.2349 13.2359 k = 0.4716 0.0939 0.2811 ( 3448 PWs) bands (ev): -47.8707 -47.8707 -22.8679 -22.8679 -19.9108 -19.9089 -19.7409 -19.7391 -19.7218 -19.7191 -18.0579 -18.0577 -7.8222 -7.8221 -5.1684 -5.1678 -4.5639 -4.5627 -4.1825 -4.1821 -0.1725 -0.1712 0.4078 0.4090 1.6984 1.6986 5.1319 5.1328 9.0803 9.0810 9.7753 9.7757 13.2408 13.2421 k = 0.4659 0.0989 0.2922 ( 3456 PWs) bands (ev): -47.8707 -47.8707 -22.8674 -22.8674 -19.9113 -19.9090 -19.7415 -19.7394 -19.7222 -19.7191 -18.0571 -18.0568 -7.8215 -7.8215 -5.1674 -5.1667 -4.5693 -4.5679 -4.1839 -4.1834 -0.1794 -0.1778 0.4107 0.4121 1.7003 1.7006 5.1248 5.1259 9.0972 9.0980 9.7921 9.7926 13.2479 13.2493 k = 0.4602 0.1038 0.3033 ( 3464 PWs) bands (ev): -47.8707 -47.8707 -22.8669 -22.8669 -19.9119 -19.9092 -19.7422 -19.7396 -19.7227 -19.7191 -18.0561 -18.0557 -7.8208 -7.8207 -5.1663 -5.1655 -4.5756 -4.5740 -4.1856 -4.1850 -0.1873 -0.1856 0.4140 0.4156 1.7026 1.7029 5.1165 5.1178 9.1170 9.1179 9.8118 9.8125 13.2559 13.2577 k = 0.4545 0.1088 0.3143 ( 3462 PWs) bands (ev): -47.8707 -47.8707 -22.8663 -22.8663 -19.9124 -19.9094 -19.7428 -19.7400 -19.7232 -19.7192 -18.0550 -18.0546 -7.8199 -7.8199 -5.1651 -5.1641 -4.5826 -4.5807 -4.1875 -4.1868 -0.1963 -0.1943 0.4178 0.4196 1.7052 1.7056 5.1071 5.1086 9.1397 9.1407 9.8345 9.8352 13.2648 13.2668 k = 0.4489 0.1137 0.3254 ( 3466 PWs) bands (ev): -47.8707 -47.8707 -22.8656 -22.8656 -19.9130 -19.9096 -19.7436 -19.7404 -19.7236 -19.7193 -18.0537 -18.0533 -7.8190 -7.8189 -5.1638 -5.1626 -4.5903 -4.5882 -4.1896 -4.1889 -0.2062 -0.2041 0.4221 0.4240 1.7081 1.7085 5.0966 5.0983 9.1652 9.1663 9.8600 9.8608 13.2744 13.2767 k = 0.4432 0.1187 0.3365 ( 3464 PWs) bands (ev): -47.8707 -47.8707 -22.8648 -22.8648 -19.9136 -19.9099 -19.7444 -19.7409 -19.7240 -19.7194 -18.0523 -18.0518 -7.8179 -7.8179 -5.1624 -5.1611 -4.5987 -4.5963 -4.1920 -4.1912 -0.2170 -0.2148 0.4267 0.4287 1.7113 1.7117 5.0852 5.0870 9.1934 9.1946 9.8882 9.8891 13.2843 13.2868 k = 0.4375 0.1236 0.3475 ( 3466 PWs) bands (ev): -47.8707 -47.8707 -22.8640 -22.8640 -19.9143 -19.9103 -19.7453 -19.7414 -19.7244 -19.7196 -18.0508 -18.0503 -7.8168 -7.8167 -5.1610 -5.1596 -4.6075 -4.6049 -4.1946 -4.1938 -0.2287 -0.2263 0.4317 0.4338 1.7147 1.7152 5.0728 5.0748 9.2242 9.2255 9.9192 9.9201 13.2942 13.2970 k = 0.4318 0.1286 0.3586 ( 3460 PWs) bands (ev): -47.8706 -47.8706 -22.8631 -22.8631 -19.9149 -19.9106 -19.7462 -19.7420 -19.7247 -19.7197 -18.0492 -18.0486 -7.8156 -7.8155 -5.1596 -5.1580 -4.6168 -4.6140 -4.1975 -4.1966 -0.2411 -0.2386 0.4370 0.4392 1.7184 1.7189 5.0596 5.0618 9.2575 9.2589 9.9527 9.9537 13.3036 13.3066 k = 0.4261 0.1335 0.3697 ( 3458 PWs) bands (ev): -47.8706 -47.8706 -22.8622 -22.8622 -19.9157 -19.9110 -19.7472 -19.7427 -19.7251 -19.7199 -18.0475 -18.0468 -7.8143 -7.8141 -5.1583 -5.1566 -4.6264 -4.6233 -4.2006 -4.1996 -0.2542 -0.2516 0.4425 0.4448 1.7223 1.7228 5.0456 5.0479 9.2932 9.2947 9.9887 9.9898 13.3117 13.3150 k = 0.4205 0.1385 0.3807 ( 3454 PWs) bands (ev): -47.8706 -47.8706 -22.8612 -22.8612 -19.9164 -19.9115 -19.7483 -19.7435 -19.7253 -19.7201 -18.0456 -18.0450 -7.8129 -7.8128 -5.1571 -5.1552 -4.6362 -4.6329 -4.2039 -4.2029 -0.2679 -0.2652 0.4483 0.4507 1.7264 1.7269 5.0310 5.0334 9.3312 9.3327 10.0271 10.0283 13.3176 13.3211 k = 0.4148 0.1434 0.3918 ( 3450 PWs) bands (ev): -47.8705 -47.8705 -22.8601 -22.8601 -19.9172 -19.9119 -19.7494 -19.7442 -19.7256 -19.7203 -18.0437 -18.0430 -7.8115 -7.8113 -5.1560 -5.1540 -4.6461 -4.6426 -4.2075 -4.2064 -0.2821 -0.2794 0.4543 0.4567 1.7306 1.7312 5.0156 5.0182 9.3714 9.3730 10.0677 10.0690 13.3200 13.3237 k = 0.4091 0.1484 0.4029 ( 3454 PWs) bands (ev): -47.8705 -47.8705 -22.8590 -22.8590 -19.9180 -19.9125 -19.7507 -19.7451 -19.7258 -19.7205 -18.0418 -18.0410 -7.8100 -7.8098 -5.1552 -5.1530 -4.6559 -4.6522 -4.2113 -4.2101 -0.2968 -0.2940 0.4604 0.4629 1.7350 1.7356 4.9998 5.0025 9.4136 9.4154 10.1105 10.1118 13.3170 13.3208 k = 0.4034 0.1533 0.4139 ( 3462 PWs) bands (ev): -47.8705 -47.8705 -22.8579 -22.8579 -19.9189 -19.9131 -19.7519 -19.7461 -19.7260 -19.7208 -18.0397 -18.0390 -7.8084 -7.8083 -5.1546 -5.1523 -4.6657 -4.6618 -4.2153 -4.2141 -0.3119 -0.3091 0.4667 0.4691 1.7395 1.7401 4.9835 4.9864 9.4579 9.4597 10.1552 10.1566 13.3066 13.3103 k = 0.3977 0.1583 0.4250 ( 3462 PWs) bands (ev): -47.8704 -47.8704 -22.8567 -22.8567 -19.9198 -19.9138 -19.7532 -19.7470 -19.7262 -19.7210 -18.0376 -18.0368 -7.8068 -7.8067 -5.1544 -5.1519 -4.6752 -4.6710 -4.2195 -4.2183 -0.3272 -0.3243 0.4731 0.4755 1.7441 1.7447 4.9669 4.9699 9.5040 9.5059 10.2018 10.2032 13.2866 13.2900 k = 0.3920 0.1632 0.4360 ( 3466 PWs) bands (ev): -47.8704 -47.8704 -22.8555 -22.8555 -19.9207 -19.9144 -19.7545 -19.7480 -19.7264 -19.7212 -18.0355 -18.0347 -7.8052 -7.8050 -5.1545 -5.1518 -4.6843 -4.6799 -4.2240 -4.2226 -0.3427 -0.3399 0.4795 0.4819 1.7488 1.7494 4.9501 4.9532 9.5519 9.5538 10.2501 10.2515 13.2554 13.2583 k = 0.3864 0.1682 0.4471 ( 3466 PWs) bands (ev): -47.8704 -47.8704 -22.8543 -22.8543 -19.9215 -19.9151 -19.7558 -19.7490 -19.7265 -19.7215 -18.0333 -18.0325 -7.8036 -7.8034 -5.1550 -5.1522 -4.6928 -4.6883 -4.2286 -4.2272 -0.3584 -0.3555 0.4859 0.4883 1.7535 1.7541 4.9330 4.9362 9.6014 9.6034 10.2998 10.3013 13.2128 13.2152 k = 0.3807 0.1731 0.4582 ( 3468 PWs) bands (ev): -47.8704 -47.8704 -22.8531 -22.8531 -19.9224 -19.9158 -19.7572 -19.7500 -19.7266 -19.7217 -18.0311 -18.0303 -7.8019 -7.8017 -5.1560 -5.1531 -4.7008 -4.6961 -4.2334 -4.2319 -0.3741 -0.3713 0.4924 0.4948 1.7582 1.7588 4.9159 4.9192 9.6525 9.6545 10.3508 10.3524 13.1601 13.1618 k = 0.3750 0.1781 0.4692 ( 3468 PWs) bands (ev): -47.8703 -47.8703 -22.8519 -22.8519 -19.9234 -19.9165 -19.7585 -19.7510 -19.7267 -19.7219 -18.0289 -18.0280 -7.8002 -7.8000 -5.1575 -5.1545 -4.7081 -4.7033 -4.2383 -4.2368 -0.3898 -0.3870 0.4988 0.5011 1.7629 1.7635 4.8988 4.9022 9.7050 9.7071 10.4030 10.4047 13.0991 13.1004 k = 0.3693 0.1830 0.4803 ( 3464 PWs) bands (ev): -47.8703 -47.8703 -22.8507 -22.8507 -19.9242 -19.9173 -19.7598 -19.7520 -19.7268 -19.7221 -18.0267 -18.0258 -7.7985 -7.7983 -5.1596 -5.1564 -4.7147 -4.7097 -4.2434 -4.2419 -0.4054 -0.4025 0.5052 0.5075 1.7676 1.7683 4.8817 4.8853 9.7589 9.7610 10.4560 10.4578 13.0320 13.0328 k = 0.3636 0.1880 0.4914 ( 3462 PWs) bands (ev): -47.8703 -47.8703 -22.8495 -22.8495 -19.9251 -19.9180 -19.7611 -19.7530 -19.7268 -19.7223 -18.0245 -18.0236 -7.7969 -7.7966 -5.1621 -5.1588 -4.7204 -4.7153 -4.2486 -4.2470 -0.4207 -0.4179 0.5115 0.5137 1.7722 1.7729 4.8649 4.8685 9.8141 9.8162 10.5098 10.5116 12.9603 12.9607 k = 0.3580 0.1929 0.5024 ( 3464 PWs) bands (ev): -47.8702 -47.8702 -22.8483 -22.8482 -19.9260 -19.9188 -19.7624 -19.7540 -19.7269 -19.7225 -18.0224 -18.0215 -7.7952 -7.7950 -5.1651 -5.1618 -4.7252 -4.7201 -4.2540 -4.2523 -0.4359 -0.4331 0.5176 0.5197 1.7768 1.7774 4.8483 4.8520 9.8703 9.8725 10.5640 10.5659 12.8852 12.8855 k = 0.3523 0.1979 0.5135 ( 3466 PWs) bands (ev): -47.8702 -47.8702 -22.8471 -22.8471 -19.9269 -19.9196 -19.7637 -19.7550 -19.7269 -19.7227 -18.0203 -18.0193 -7.7936 -7.7933 -5.1687 -5.1653 -4.7292 -4.7240 -4.2594 -4.2577 -0.4507 -0.4480 0.5236 0.5257 1.7812 1.7819 4.8320 4.8358 9.9277 9.9299 10.6185 10.6205 12.8078 12.8082 k = 0.3466 0.2028 0.5246 ( 3464 PWs) bands (ev): -47.8702 -47.8702 -22.8459 -22.8459 -19.9278 -19.9203 -19.7649 -19.7560 -19.7270 -19.7229 -18.0182 -18.0172 -7.7920 -7.7917 -5.1726 -5.1693 -4.7323 -4.7271 -4.2649 -4.2632 -0.4651 -0.4624 0.5294 0.5314 1.7856 1.7862 4.8162 4.8201 9.9859 9.9882 10.6730 10.6750 12.7288 12.7293 k = 0.3409 0.2078 0.5356 ( 3466 PWs) bands (ev): -47.8701 -47.8701 -22.8448 -22.8448 -19.9286 -19.9211 -19.7661 -19.7569 -19.7270 -19.7231 -18.0162 -18.0152 -7.7904 -7.7902 -5.1770 -5.1736 -4.7346 -4.7294 -4.2704 -4.2687 -0.4791 -0.4764 0.5351 0.5370 1.7898 1.7904 4.8008 4.8048 10.0450 10.0473 10.7272 10.7294 12.6488 12.6494 k = 0.3352 0.2127 0.5467 ( 3466 PWs) bands (ev): -47.8701 -47.8701 -22.8437 -22.8437 -19.9295 -19.9218 -19.7672 -19.7578 -19.7270 -19.7232 -18.0142 -18.0133 -7.7889 -7.7887 -5.1817 -5.1783 -4.7361 -4.7309 -4.2759 -4.2742 -0.4926 -0.4899 0.5405 0.5423 1.7938 1.7944 4.7860 4.7900 10.1048 10.1072 10.7809 10.7832 12.5682 12.5689 k = 0.3295 0.2177 0.5578 ( 3464 PWs) bands (ev): -47.8701 -47.8701 -22.8426 -22.8426 -19.9302 -19.9225 -19.7683 -19.7587 -19.7270 -19.7234 -18.0123 -18.0114 -7.7875 -7.7872 -5.1866 -5.1832 -4.7369 -4.7317 -4.2814 -4.2796 -0.5055 -0.5029 0.5457 0.5474 1.7977 1.7982 4.7718 4.7759 10.1652 10.1676 10.8339 10.8363 12.4873 12.4882 k = 0.3239 0.2226 0.5688 ( 3466 PWs) bands (ev): -47.8700 -47.8700 -22.8416 -22.8416 -19.9310 -19.9233 -19.7693 -19.7595 -19.7270 -19.7236 -18.0105 -18.0096 -7.7861 -7.7858 -5.1916 -5.1883 -4.7370 -4.7319 -4.2868 -4.2850 -0.5177 -0.5152 0.5506 0.5523 1.8014 1.8019 4.7583 4.7625 10.2260 10.2284 10.8859 10.8884 12.4066 12.4075 k = 0.3182 0.2276 0.5799 ( 3462 PWs) bands (ev): -47.8700 -47.8700 -22.8406 -22.8406 -19.9317 -19.9239 -19.7703 -19.7603 -19.7270 -19.7237 -18.0088 -18.0079 -7.7847 -7.7845 -5.1967 -5.1935 -4.7365 -4.7315 -4.2921 -4.2903 -0.5293 -0.5268 0.5553 0.5568 1.8049 1.8053 4.7455 4.7498 10.2869 10.2895 10.9366 10.9392 12.3263 12.3272 k = 0.3125 0.2325 0.5909 ( 3460 PWs) bands (ev): -47.8700 -47.8700 -22.8397 -22.8397 -19.9324 -19.9246 -19.7712 -19.7610 -19.7269 -19.7238 -18.0073 -18.0063 -7.7835 -7.7832 -5.2019 -5.1987 -4.7356 -4.7307 -4.2972 -4.2954 -0.5401 -0.5376 0.5596 0.5611 1.8081 1.8086 4.7336 4.7379 10.3479 10.3505 10.9858 10.9885 12.2467 12.2476 k = 0.3068 0.2375 0.6020 ( 3464 PWs) bands (ev): -47.8700 -47.8700 -22.8389 -22.8389 -19.9331 -19.9252 -19.7720 -19.7617 -19.7269 -19.7239 -18.0058 -18.0048 -7.7824 -7.7821 -5.2069 -5.2037 -4.7343 -4.7295 -4.3021 -4.3003 -0.5502 -0.5477 0.5636 0.5650 1.8111 1.8116 4.7225 4.7269 10.4086 10.4112 11.0332 11.0361 12.1679 12.1688 k = 0.3011 0.2424 0.6131 ( 3458 PWs) bands (ev): -47.8699 -47.8699 -22.8381 -22.8381 -19.9336 -19.9257 -19.7727 -19.7623 -19.7269 -19.7240 -18.0044 -18.0035 -7.7813 -7.7810 -5.2117 -5.2086 -4.7327 -4.7280 -4.3068 -4.3050 -0.5594 -0.5569 0.5673 0.5686 1.8139 1.8143 4.7124 4.7168 10.4685 10.4712 11.0787 11.0817 12.0904 12.0913 k = 0.2955 0.2474 0.6241 ( 3454 PWs) bands (ev): -47.8699 -47.8699 -22.8374 -22.8374 -19.9341 -19.9262 -19.7734 -19.7629 -19.7269 -19.7241 -18.0032 -18.0022 -7.7803 -7.7800 -5.2162 -5.2132 -4.7310 -4.7264 -4.3111 -4.3094 -0.5677 -0.5653 0.5707 0.5719 1.8164 1.8168 4.7032 4.7076 10.5273 10.5301 11.1221 11.1253 12.0145 12.0153 k = 0.2898 0.2523 0.6352 ( 3460 PWs) bands (ev): -47.8699 -47.8699 -22.8368 -22.8368 -19.9346 -19.9267 -19.7740 -19.7634 -19.7269 -19.7242 -18.0021 -18.0011 -7.7795 -7.7792 -5.2204 -5.2174 -4.7292 -4.7247 -4.3151 -4.3134 -0.5752 -0.5728 0.5737 0.5748 1.8186 1.8190 4.6949 4.6994 10.5842 10.5870 11.1633 11.1667 11.9405 11.9413 k = 0.2841 0.2573 0.6463 ( 3460 PWs) bands (ev): -47.8699 -47.8699 -22.8362 -22.8362 -19.9351 -19.9271 -19.7746 -19.7638 -19.7268 -19.7243 -18.0011 -18.0002 -7.7787 -7.7784 -5.2241 -5.2212 -4.7274 -4.7230 -4.3187 -4.3170 -0.5817 -0.5793 0.5763 0.5773 1.8206 1.8209 4.6877 4.6922 10.6384 10.6414 11.2024 11.2060 11.8690 11.8697 k = 0.2784 0.2622 0.6573 ( 3466 PWs) bands (ev): -47.8699 -47.8699 -22.8358 -22.8357 -19.9354 -19.9275 -19.7750 -19.7642 -19.7269 -19.7245 -18.0003 -17.9993 -7.7781 -7.7778 -5.2274 -5.2245 -4.7257 -4.7215 -4.3219 -4.3202 -0.5873 -0.5849 0.5785 0.5795 1.8223 1.8225 4.6816 4.6861 10.6888 10.6919 11.2394 11.2433 11.8006 11.8013 k = 0.2727 0.2672 0.6684 ( 3458 PWs) bands (ev): -47.8699 -47.8699 -22.8354 -22.8354 -19.9357 -19.9278 -19.7754 -19.7645 -19.7268 -19.7245 -17.9996 -17.9987 -7.7775 -7.7773 -5.2301 -5.2273 -4.7242 -4.7201 -4.3245 -4.3228 -0.5918 -0.5894 0.5804 0.5813 1.8237 1.8238 4.6765 4.6810 10.7340 10.7371 11.2744 11.2787 11.7364 11.7372 k = 0.2670 0.2721 0.6795 ( 3456 PWs) bands (ev): -47.8699 -47.8699 -22.8350 -22.8350 -19.9359 -19.9280 -19.7757 -19.7647 -19.7268 -19.7245 -17.9990 -17.9981 -7.7771 -7.7768 -5.2323 -5.2295 -4.7229 -4.7189 -4.3266 -4.3249 -0.5954 -0.5930 0.5818 0.5827 1.8247 1.8249 4.6725 4.6771 10.7722 10.7754 11.3073 11.3122 11.6777 11.6789 k = 0.2614 0.2771 0.6905 ( 3458 PWs) bands (ev): -47.8698 -47.8698 -22.8348 -22.8348 -19.9361 -19.9282 -19.7759 -19.7649 -19.7268 -19.7246 -17.9987 -17.9977 -7.7768 -7.7765 -5.2339 -5.2311 -4.7220 -4.7181 -4.3281 -4.3265 -0.5979 -0.5956 0.5828 0.5837 1.8255 1.8256 4.6697 4.6743 10.8015 10.8047 11.3371 11.3427 11.6273 11.6293 k = 0.2557 0.2820 0.7016 ( 3460 PWs) bands (ev): -47.8698 -47.8698 -22.8347 -22.8347 -19.9362 -19.9283 -19.7760 -19.7650 -19.7268 -19.7246 -17.9984 -17.9975 -7.7767 -7.7764 -5.2348 -5.2321 -4.7215 -4.7175 -4.3290 -4.3274 -0.5995 -0.5972 0.5835 0.5843 1.8260 1.8261 4.6680 4.6726 10.8200 10.8233 11.3602 11.3668 11.5905 11.5933 k = 0.2500 0.2870 0.7126 ( 3452 PWs) bands (ev): -47.8698 -47.8698 -22.8346 -22.8346 -19.9362 -19.9283 -19.7760 -19.7650 -19.7267 -19.7245 -17.9983 -17.9974 -7.7766 -7.7763 -5.2351 -5.2324 -4.7213 -4.7173 -4.3293 -4.3277 -0.6000 -0.5977 0.5837 0.5845 1.8262 1.8262 4.6674 4.6720 10.8263 10.8296 11.3696 11.3766 11.5762 11.5796 k = 0.3294-0.2870 0.7126 ( 3454 PWs) bands (ev): -47.8701 -47.8701 -22.8307 -22.8304 -19.9299 -19.9261 -19.7632 -19.7606 -19.7348 -19.7289 -18.0284 -18.0283 -8.0352 -8.0346 -4.9663 -4.9631 -4.6637 -4.6629 -4.4071 -4.4030 -0.3022 -0.2999 1.0439 1.0472 1.7018 1.7047 4.8491 4.8505 10.5840 10.5862 10.8534 10.8557 11.3716 11.3720 k = 0.3350-0.2918 0.7017 ( 3456 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9304 -19.9267 -19.7638 -19.7612 -19.7347 -19.7289 -18.0288 -18.0287 -8.0427 -8.0422 -4.9506 -4.9475 -4.6618 -4.6609 -4.4111 -4.4071 -0.2856 -0.2833 1.0488 1.0522 1.7013 1.7043 4.8746 4.8759 10.5696 10.5717 10.7922 10.7944 11.3496 11.3500 k = 0.3406-0.2967 0.6908 ( 3454 PWs) bands (ev): -47.8701 -47.8701 -22.8306 -22.8304 -19.9308 -19.9272 -19.7644 -19.7618 -19.7345 -19.7288 -18.0292 -18.0291 -8.0502 -8.0497 -4.9345 -4.9316 -4.6599 -4.6590 -4.4152 -4.4113 -0.2689 -0.2666 1.0535 1.0569 1.7006 1.7037 4.9003 4.9015 10.5504 10.5524 10.7322 10.7342 11.3281 11.3285 k = 0.3462-0.3016 0.6799 ( 3450 PWs) bands (ev): -47.8702 -47.8702 -22.8306 -22.8304 -19.9313 -19.9278 -19.7651 -19.7624 -19.7343 -19.7288 -18.0296 -18.0294 -8.0576 -8.0570 -4.9183 -4.9154 -4.6582 -4.6573 -4.4192 -4.4154 -0.2521 -0.2498 1.0580 1.0615 1.6998 1.7031 4.9261 4.9273 10.5262 10.5278 10.6746 10.6763 11.3069 11.3074 k = 0.3518-0.3065 0.6690 ( 3443 PWs) bands (ev): -47.8702 -47.8702 -22.8306 -22.8304 -19.9317 -19.9283 -19.7656 -19.7629 -19.7341 -19.7287 -18.0299 -18.0298 -8.0648 -8.0643 -4.9018 -4.8990 -4.6565 -4.6556 -4.4232 -4.4195 -0.2352 -0.2330 1.0623 1.0659 1.6990 1.7023 4.9520 4.9531 10.4956 10.4969 10.6210 10.6225 11.2860 11.2867 k = 0.3574-0.3114 0.6581 ( 3437 PWs) bands (ev): -47.8702 -47.8702 -22.8307 -22.8305 -19.9322 -19.9288 -19.7662 -19.7635 -19.7338 -19.7286 -18.0302 -18.0300 -8.0719 -8.0713 -4.8854 -4.8826 -4.6550 -4.6540 -4.4272 -4.4235 -0.2184 -0.2162 1.0663 1.0700 1.6980 1.7015 4.9777 4.9788 10.4573 10.4583 10.5733 10.5747 11.2651 11.2661 k = 0.3630-0.3162 0.6472 ( 3441 PWs) bands (ev): -47.8702 -47.8702 -22.8308 -22.8306 -19.9327 -19.9294 -19.7668 -19.7640 -19.7336 -19.7286 -18.0304 -18.0303 -8.0787 -8.0782 -4.8689 -4.8662 -4.6536 -4.6526 -4.4311 -4.4276 -0.2017 -0.1995 1.0701 1.0738 1.6970 1.7006 5.0032 5.0042 10.4111 10.4121 10.5323 10.5338 11.2435 11.2451 k = 0.3686-0.3211 0.6363 ( 3443 PWs) bands (ev): -47.8703 -47.8703 -22.8309 -22.8307 -19.9332 -19.9299 -19.7674 -19.7646 -19.7334 -19.7285 -18.0307 -18.0306 -8.0854 -8.0849 -4.8525 -4.8499 -4.6523 -4.6512 -4.4350 -4.4315 -0.1852 -0.1831 1.0737 1.0775 1.6959 1.6996 5.0284 5.0294 10.3590 10.3602 10.4968 10.4984 11.2204 11.2228 k = 0.3742-0.3260 0.6254 ( 3443 PWs) bands (ev): -47.8703 -47.8703 -22.8310 -22.8308 -19.9336 -19.9304 -19.7680 -19.7651 -19.7331 -19.7285 -18.0309 -18.0308 -8.0919 -8.0914 -4.8363 -4.8337 -4.6511 -4.6499 -4.4387 -4.4354 -0.1690 -0.1670 1.0771 1.0809 1.6947 1.6986 5.0532 5.0541 10.3038 10.3050 10.4649 10.4665 11.1940 11.1973 k = 0.3798-0.3309 0.6145 ( 3441 PWs) bands (ev): -47.8703 -47.8703 -22.8311 -22.8310 -19.9341 -19.9310 -19.7685 -19.7656 -19.7328 -19.7284 -18.0311 -18.0310 -8.0981 -8.0976 -4.8203 -4.8179 -4.6499 -4.6488 -4.4424 -4.4391 -0.1531 -0.1512 1.0803 1.0841 1.6936 1.6975 5.0775 5.0784 10.2476 10.2488 10.4350 10.4367 11.1630 11.1668 k = 0.3854-0.3358 0.6036 ( 3435 PWs) bands (ev): -47.8703 -47.8703 -22.8313 -22.8311 -19.9345 -19.9314 -19.7690 -19.7661 -19.7325 -19.7283 -18.0313 -18.0312 -8.1041 -8.1036 -4.8047 -4.8023 -4.6489 -4.6477 -4.4459 -4.4427 -0.1377 -0.1357 1.0833 1.0871 1.6924 1.6964 5.1012 5.1020 10.1915 10.1927 10.4067 10.4083 11.1279 11.1317 k = 0.3910-0.3406 0.5927 ( 3434 PWs) bands (ev): -47.8704 -47.8704 -22.8314 -22.8313 -19.9350 -19.9319 -19.7695 -19.7666 -19.7322 -19.7282 -18.0315 -18.0313 -8.1098 -8.1094 -4.7895 -4.7873 -4.6479 -4.6467 -4.4494 -4.4462 -0.1227 -0.1208 1.0860 1.0899 1.6912 1.6953 5.1241 5.1249 10.1364 10.1376 10.3794 10.3811 11.0907 11.0942 k = 0.3966-0.3455 0.5818 ( 3432 PWs) bands (ev): -47.8704 -47.8704 -22.8316 -22.8314 -19.9354 -19.9324 -19.7699 -19.7670 -19.7319 -19.7281 -18.0316 -18.0315 -8.1152 -8.1148 -4.7749 -4.7727 -4.6471 -4.6458 -4.4526 -4.4496 -0.1083 -0.1065 1.0885 1.0925 1.6900 1.6943 5.1462 5.1469 10.0830 10.0841 10.3534 10.3551 11.0533 11.0566 k = 0.4022-0.3504 0.5709 ( 3430 PWs) bands (ev): -47.8704 -47.8704 -22.8317 -22.8316 -19.9359 -19.9328 -19.7704 -19.7674 -19.7316 -19.7281 -18.0318 -18.0316 -8.1203 -8.1199 -4.7608 -4.7587 -4.6463 -4.6449 -4.4558 -4.4528 -0.0945 -0.0928 1.0908 1.0948 1.6889 1.6932 5.1673 5.1680 10.0317 10.0328 10.3285 10.3302 11.0169 11.0199 k = 0.4078-0.3553 0.5600 ( 3430 PWs) bands (ev): -47.8704 -47.8704 -22.8319 -22.8318 -19.9363 -19.9333 -19.7708 -19.7678 -19.7313 -19.7280 -18.0319 -18.0317 -8.1251 -8.1247 -4.7474 -4.7454 -4.6455 -4.6442 -4.4587 -4.4558 -0.0814 -0.0799 1.0930 1.0970 1.6877 1.6921 5.1874 5.1880 9.9829 9.9839 10.3048 10.3065 10.9821 10.9850 k = 0.4134-0.3602 0.5490 ( 3433 PWs) bands (ev): -47.8704 -47.8704 -22.8320 -22.8319 -19.9367 -19.9337 -19.7712 -19.7682 -19.7310 -19.7280 -18.0320 -18.0318 -8.1295 -8.1292 -4.7348 -4.7329 -4.6449 -4.6435 -4.4615 -4.4587 -0.0691 -0.0677 1.0949 1.0989 1.6866 1.6911 5.2063 5.2069 9.9369 9.9378 10.2825 10.2843 10.9494 10.9522 k = 0.4190-0.3650 0.5381 ( 3434 PWs) bands (ev): -47.8705 -47.8705 -22.8322 -22.8321 -19.9370 -19.9341 -19.7715 -19.7685 -19.7307 -19.7280 -18.0321 -18.0319 -8.1336 -8.1333 -4.7229 -4.7212 -4.6443 -4.6429 -4.4641 -4.4614 -0.0577 -0.0563 1.0966 1.1007 1.6856 1.6901 5.2240 5.2245 9.8940 9.8949 10.2618 10.2635 10.9191 10.9218 k = 0.4246-0.3699 0.5272 ( 3425 PWs) bands (ev): -47.8705 -47.8705 -22.8323 -22.8322 -19.9374 -19.9344 -19.7718 -19.7688 -19.7304 -19.7279 -18.0321 -18.0319 -8.1374 -8.1371 -4.7119 -4.7103 -4.6438 -4.6424 -4.4664 -4.4639 -0.0471 -0.0458 1.0982 1.1022 1.6846 1.6893 5.2403 5.2408 9.8545 9.8553 10.2426 10.2444 10.8912 10.8939 k = 0.4302-0.3748 0.5163 ( 3425 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8324 -19.9377 -19.9347 -19.7721 -19.7691 -19.7301 -19.7279 -18.0322 -18.0320 -8.1408 -8.1405 -4.7019 -4.7004 -4.6433 -4.6419 -4.4686 -4.4661 -0.0374 -0.0363 1.0995 1.1036 1.6837 1.6884 5.2552 5.2556 9.8185 9.8193 10.2252 10.2270 10.8661 10.8686 k = 0.4358-0.3797 0.5054 ( 3433 PWs) bands (ev): -47.8705 -47.8705 -22.8326 -22.8325 -19.9380 -19.9350 -19.7724 -19.7694 -19.7299 -19.7280 -18.0323 -18.0321 -8.1438 -8.1436 -4.6929 -4.6916 -4.6430 -4.6415 -4.4705 -4.4682 -0.0288 -0.0278 1.1007 1.1048 1.6829 1.6877 5.2685 5.2688 9.7863 9.7870 10.2096 10.2114 10.8436 10.8461 k = 0.4414-0.3845 0.4945 ( 3427 PWs) bands (ev): -47.8705 -47.8705 -22.8327 -22.8326 -19.9382 -19.9352 -19.7726 -19.7696 -19.7296 -19.7280 -18.0323 -18.0321 -8.1464 -8.1462 -4.6850 -4.6838 -4.6426 -4.6412 -4.4722 -4.4700 -0.0212 -0.0203 1.1017 1.1059 1.6822 1.6870 5.2802 5.2805 9.7580 9.7587 10.1958 10.1977 10.8240 10.8265 k = 0.4470-0.3894 0.4836 ( 3425 PWs) bands (ev): -47.8705 -47.8705 -22.8328 -22.8327 -19.9384 -19.9354 -19.7728 -19.7697 -19.7294 -19.7280 -18.0324 -18.0322 -8.1487 -8.1485 -4.6781 -4.6771 -4.6424 -4.6409 -4.4736 -4.4715 -0.0146 -0.0139 1.1026 1.1067 1.6816 1.6865 5.2903 5.2905 9.7339 9.7346 10.1841 10.1860 10.8073 10.8098 k = 0.4526-0.3943 0.4727 ( 3425 PWs) bands (ev): -47.8705 -47.8705 -22.8329 -22.8328 -19.9386 -19.9356 -19.7730 -19.7699 -19.7291 -19.7280 -18.0324 -18.0322 -8.1505 -8.1503 -4.6724 -4.6716 -4.6421 -4.6407 -4.4748 -4.4728 -0.0092 -0.0086 1.1033 1.1074 1.6811 1.6860 5.2986 5.2988 9.7139 9.7146 10.1744 10.1763 10.7936 10.7960 k = 0.4582-0.3992 0.4618 ( 3423 PWs) bands (ev): -47.8705 -47.8705 -22.8329 -22.8328 -19.9387 -19.9357 -19.7731 -19.7700 -19.7289 -19.7281 -18.0324 -18.0322 -8.1519 -8.1518 -4.6679 -4.6673 -4.6420 -4.6406 -4.4757 -4.4738 -0.0050 -0.0045 1.1038 1.1080 1.6807 1.6856 5.3051 5.3053 9.6983 9.6990 10.1668 10.1687 10.7829 10.7853 k = 0.4638-0.4041 0.4509 ( 3423 PWs) bands (ev): -47.8705 -47.8705 -22.8330 -22.8329 -19.9388 -19.9358 -19.7732 -19.7701 -19.7287 -19.7282 -18.0324 -18.0322 -8.1529 -8.1528 -4.6646 -4.6642 -4.6419 -4.6405 -4.4764 -4.4746 -0.0019 -0.0016 1.1042 1.1083 1.6804 1.6853 5.3098 5.3099 9.6871 9.6878 10.1614 10.1633 10.7752 10.7776 k = 0.4694-0.4089 0.4400 ( 3421 PWs) bands (ev): -47.8705 -47.8705 -22.8330 -22.8329 -19.9389 -19.9359 -19.7732 -19.7701 -19.7286 -19.7283 -18.0324 -18.0322 -8.1536 -8.1535 -4.6626 -4.6624 -4.6418 -4.6405 -4.4768 -4.4750 -0.0000 0.0001 1.1044 1.1086 1.6803 1.6852 5.3126 5.3127 9.6804 9.6810 10.1581 10.1600 10.7706 10.7730 k = 0.4750-0.4138 0.4291 ( 3428 PWs) bands (ev): -47.8706 -47.8706 -22.8330 -22.8329 -19.9389 -19.9359 -19.7733 -19.7702 -19.7285 -19.7284 -18.0324 -18.0322 -8.1538 -8.1537 -4.6620 -4.6618 -4.6418 -4.6405 -4.4769 -4.4752 0.0007 0.0007 1.1045 1.1086 1.6802 1.6851 5.3136 5.3136 9.6781 9.6788 10.1570 10.1589 10.7690 10.7714 k = 0.5250 0.5521 0.0226 ( 3428 PWs) bands (ev): -47.8706 -47.8706 -22.8330 -22.8329 -19.9389 -19.9359 -19.7733 -19.7702 -19.7285 -19.7284 -18.0324 -18.0322 -8.1538 -8.1537 -4.6620 -4.6618 -4.6418 -4.6405 -4.4769 -4.4752 0.0007 0.0007 1.1045 1.1086 1.6802 1.6851 5.3136 5.3136 9.6781 9.6788 10.1570 10.1589 10.7690 10.7714 k = 0.5167 0.5594 0.0151 ( 3420 PWs) bands (ev): -47.8705 -47.8705 -22.8327 -22.8327 -19.9387 -19.9367 -19.7730 -19.7709 -19.7285 -19.7284 -18.0318 -18.0317 -8.1569 -8.1568 -4.6626 -4.6625 -4.6368 -4.6359 -4.4799 -4.4787 0.0018 0.0018 1.1198 1.1227 1.6743 1.6777 5.3144 5.3144 9.6747 9.6752 10.1991 10.2006 10.7151 10.7168 k = 0.5083 0.5667 0.0075 ( 3424 PWs) bands (ev): -47.8705 -47.8705 -22.8326 -22.8326 -19.9384 -19.9374 -19.7727 -19.7716 -19.7285 -19.7285 -18.0315 -18.0314 -8.1587 -8.1587 -4.6630 -4.6629 -4.6337 -4.6332 -4.4817 -4.4811 0.0025 0.0025 1.1295 1.1310 1.6709 1.6726 5.3149 5.3149 9.6724 9.6726 10.2308 10.2316 10.6762 10.6771 k = 0.5000 0.5739 0.0000 ( 3424 PWs) bands (ev): -47.8705 -47.8705 -22.8325 -22.8325 -19.9380 -19.9380 -19.7722 -19.7722 -19.7285 -19.7285 -18.0313 -18.0313 -8.1594 -8.1594 -4.6631 -4.6631 -4.6325 -4.6325 -4.4820 -4.4820 0.0027 0.0027 1.1333 1.1333 1.6703 1.6703 5.3151 5.3151 9.6716 9.6716 10.2432 10.2432 10.6620 10.6620 Writing output data file NaNO2.save init_run : 1.45s CPU 10.34s WALL ( 1 calls) electrons : 358.84s CPU 364.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.18s CPU 1.96s WALL ( 1 calls) Called by electrons: c_bands : 358.82s CPU 364.54s WALL ( 1 calls) v_of_rho : 0.03s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.61s WALL ( 1 calls) newd : 0.27s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 451 calls) cegterg : 331.00s CPU 333.32s WALL ( 839 calls) Called by sum_band: Called by *egterg: h_psi : 176.45s CPU 182.78s WALL ( 13655 calls) s_psi : 4.97s CPU 5.65s WALL ( 13655 calls) g_psi : 0.45s CPU 0.48s WALL ( 12365 calls) cdiaghg : 104.15s CPU 101.81s WALL ( 12816 calls) cegterg:over : 28.08s CPU 25.09s WALL ( 12365 calls) cegterg:upda : 3.50s CPU 6.54s WALL ( 12365 calls) cegterg:last : 3.81s CPU 4.69s WALL ( 2433 calls) Called by h_psi: h_psi:vloc : 159.39s CPU 165.16s WALL ( 13655 calls) h_psi:vnl : 16.93s CPU 17.15s WALL ( 13655 calls) add_vuspsi : 2.60s CPU 4.82s WALL ( 13655 calls) General routines calbec : 14.30s CPU 12.24s WALL ( 13655 calls) fft : 0.19s CPU 1.46s WALL ( 19 calls) ffts : 0.02s CPU 0.54s WALL ( 4 calls) fftw : 154.37s CPU 158.19s WALL ( 987084 calls) interpolate : 0.02s CPU 0.55s WALL ( 4 calls) davcio : 0.05s CPU 2.76s WALL ( 902 calls) Parallel routines fft_scatter : 102.31s CPU 104.40s WALL ( 987107 calls) PWSCF : 6m44.52s CPU 8m 7.39s WALL This run was terminated on: 22: 7:10 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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