Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 2:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaP3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 53 15 1669 1159 178 Max 69 54 16 1671 1174 181 Sum 2449 1931 553 60119 41989 6453 bravais-lattice index = 14 lattice parameter (alat) = 13.2028 a.u. unit-cell volume = 1328.1917 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.202842 celldm(2)= 1.000000 celldm(3)= 0.682016 celldm(4)= 0.322682 celldm(5)= 0.322682 celldm(6)= 0.398350 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.398350 0.917233 0.000000 ) a(3) = ( 0.220074 0.144355 0.629185 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.434295 -0.250135 ) b(2) = ( 0.000000 1.090235 -0.250135 ) b(3) = ( 0.000000 0.000000 1.589357 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 249 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 2) = ( 0.0166667 0.0109323 -0.0083378), wk = 0.0040161 k( 3) = ( 0.0333333 0.0218647 -0.0166757), wk = 0.0040161 k( 4) = ( 0.0500000 0.0327970 -0.0250135), wk = 0.0040161 k( 5) = ( 0.0666667 0.0437293 -0.0333513), wk = 0.0040161 k( 6) = ( 0.0833333 0.0546616 -0.0416892), wk = 0.0040161 k( 7) = ( 0.1000000 0.0655940 -0.0500270), wk = 0.0040161 k( 8) = ( 0.1166667 0.0765263 -0.0583648), wk = 0.0040161 k( 9) = ( 0.1333333 0.0874586 -0.0667026), wk = 0.0040161 k( 10) = ( 0.1500000 0.0983910 -0.0750405), wk = 0.0040161 k( 11) = ( 0.1666667 0.1093233 -0.0833783), wk = 0.0040161 k( 12) = ( 0.1833333 0.1202556 -0.0917161), wk = 0.0040161 k( 13) = ( 0.2000000 0.1311879 -0.1000540), wk = 0.0040161 k( 14) = ( 0.2166667 0.1421203 -0.1083918), wk = 0.0040161 k( 15) = ( 0.2333333 0.1530526 -0.1167296), wk = 0.0040161 k( 16) = ( 0.2500000 0.1639849 -0.1250675), wk = 0.0040161 k( 17) = ( 0.2666667 0.1749173 -0.1334053), wk = 0.0040161 k( 18) = ( 0.2833333 0.1858496 -0.1417431), wk = 0.0040161 k( 19) = ( 0.3000000 0.1967819 -0.1500809), wk = 0.0040161 k( 20) = ( 0.3166667 0.2077143 -0.1584188), wk = 0.0040161 k( 21) = ( 0.3333333 0.2186466 -0.1667566), wk = 0.0040161 k( 22) = ( 0.3500000 0.2295789 -0.1750944), wk = 0.0040161 k( 23) = ( 0.3666667 0.2405112 -0.1834323), wk = 0.0040161 k( 24) = ( 0.3833333 0.2514436 -0.1917701), wk = 0.0040161 k( 25) = ( 0.4000000 0.2623759 -0.2001079), wk = 0.0040161 k( 26) = ( 0.4166667 0.2733082 -0.2084458), wk = 0.0040161 k( 27) = ( 0.4333333 0.2842406 -0.2167836), wk = 0.0040161 k( 28) = ( 0.4500000 0.2951729 -0.2251214), wk = 0.0040161 k( 29) = ( 0.4666667 0.3061052 -0.2334593), wk = 0.0040161 k( 30) = ( 0.4833333 0.3170375 -0.2417971), wk = 0.0040161 k( 31) = ( 0.5000000 0.3279699 -0.2501349), wk = 0.0040161 k( 32) = ( 0.5000000 0.3279699 -0.2501349), wk = 0.0040161 k( 33) = ( 0.5070544 0.3325971 -0.2299666), wk = 0.0040161 k( 34) = ( 0.5141088 0.3372244 -0.2097984), wk = 0.0040161 k( 35) = ( 0.5211632 0.3418516 -0.1896301), wk = 0.0040161 k( 36) = ( 0.5282175 0.3464789 -0.1694618), wk = 0.0040161 k( 37) = ( 0.5352719 0.3511061 -0.1492935), wk = 0.0040161 k( 38) = ( 0.5423263 0.3557334 -0.1291253), wk = 0.0040161 k( 39) = ( 0.5493807 0.3603606 -0.1089570), wk = 0.0040161 k( 40) = ( 0.5564351 0.3649879 -0.0887887), wk = 0.0040161 k( 41) = ( 0.5634894 0.3696151 -0.0686204), wk = 0.0040161 k( 42) = ( 0.5705438 0.3742424 -0.0484522), wk = 0.0040161 k( 43) = ( 0.5775982 0.3788696 -0.0282839), wk = 0.0040161 k( 44) = ( 0.5846526 0.3834969 -0.0081156), wk = 0.0040161 k( 45) = ( 0.5917070 0.3881241 0.0120527), wk = 0.0040161 k( 46) = ( 0.5987613 0.3927514 0.0322209), wk = 0.0040161 k( 47) = ( 0.6058157 0.3973786 0.0523892), wk = 0.0040161 k( 48) = ( 0.6128701 0.4020059 0.0725575), wk = 0.0040161 k( 49) = ( 0.6199245 0.4066331 0.0927258), wk = 0.0040161 k( 50) = ( 0.6269789 0.4112604 0.1128940), wk = 0.0040161 k( 51) = ( 0.6340333 0.4158876 0.1330623), wk = 0.0040161 k( 52) = ( 0.6410877 0.4205149 0.1532306), wk = 0.0040161 k( 53) = ( 0.6481420 0.4251421 0.1733989), wk = 0.0040161 k( 54) = ( 0.6551964 0.4297694 0.1935671), wk = 0.0040161 k( 55) = ( 0.6622508 0.4343966 0.2137354), wk = 0.0040161 k( 56) = ( 0.6693052 0.4390239 0.2339037), wk = 0.0040161 k( 57) = ( 0.6763596 0.4436511 0.2540720), wk = 0.0040161 k( 58) = ( 0.6834139 0.4482784 0.2742403), wk = 0.0040161 k( 59) = ( 0.6904683 0.4529056 0.2944085), wk = 0.0040161 k( 60) = ( 0.6904683 0.4529056 0.2944085), wk = 0.0040161 k( 61) = ( 0.6785641 0.4450971 0.3100420), wk = 0.0040161 k( 62) = ( 0.6666598 0.4372887 0.3256754), wk = 0.0040161 k( 63) = ( 0.6547555 0.4294802 0.3413088), wk = 0.0040161 k( 64) = ( 0.6428512 0.4216717 0.3569423), wk = 0.0040161 k( 65) = ( 0.6309470 0.4138632 0.3725757), wk = 0.0040161 k( 66) = ( 0.6190427 0.4060547 0.3882091), wk = 0.0040161 k( 67) = ( 0.6071384 0.3982462 0.4038426), wk = 0.0040161 k( 68) = ( 0.5952342 0.3904377 0.4194760), wk = 0.0040161 k( 69) = ( 0.5833299 0.3826293 0.4351094), wk = 0.0040161 k( 70) = ( 0.5714256 0.3748208 0.4507428), wk = 0.0040161 k( 71) = ( 0.5595214 0.3670123 0.4663763), wk = 0.0040161 k( 72) = ( 0.5476171 0.3592038 0.4820097), wk = 0.0040161 k( 73) = ( 0.5357128 0.3513953 0.4976431), wk = 0.0040161 k( 74) = ( 0.5238085 0.3435868 0.5132766), wk = 0.0040161 k( 75) = ( 0.5119043 0.3357784 0.5289100), wk = 0.0040161 k( 76) = ( 0.5000000 0.3279699 0.5445434), wk = 0.0040161 k( 77) = ( 0.5000000 0.3279699 0.5445434), wk = 0.0040161 k( 78) = ( 0.5121604 0.3094310 0.5445434), wk = 0.0040161 k( 79) = ( 0.5243208 0.2908921 0.5445434), wk = 0.0040161 k( 80) = ( 0.5364812 0.2723532 0.5445434), wk = 0.0040161 k( 81) = ( 0.5486416 0.2538143 0.5445434), wk = 0.0040161 k( 82) = ( 0.5608020 0.2352754 0.5445434), wk = 0.0040161 k( 83) = ( 0.5729624 0.2167365 0.5445434), wk = 0.0040161 k( 84) = ( 0.5851228 0.1981976 0.5445434), wk = 0.0040161 k( 85) = ( 0.5972832 0.1796587 0.5445434), wk = 0.0040161 k( 86) = ( 0.6094436 0.1611198 0.5445434), wk = 0.0040161 k( 87) = ( 0.6216040 0.1425809 0.5445434), wk = 0.0040161 k( 88) = ( 0.6337644 0.1240420 0.5445434), wk = 0.0040161 k( 89) = ( 0.6459248 0.1055032 0.5445434), wk = 0.0040161 k( 90) = ( 0.6580852 0.0869643 0.5445434), wk = 0.0040161 k( 91) = ( 0.6702456 0.0684254 0.5445434), wk = 0.0040161 k( 92) = ( 0.6824060 0.0498865 0.5445434), wk = 0.0040161 k( 93) = ( 0.6945663 0.0313476 0.5445434), wk = 0.0040161 k( 94) = ( 0.7067267 0.0128087 0.5445434), wk = 0.0040161 k( 95) = ( 0.7188872 -0.0057302 0.5445434), wk = 0.0040161 k( 96) = ( 0.7310475 -0.0242691 0.5445434), wk = 0.0040161 k( 97) = ( 0.7432079 -0.0428080 0.5445434), wk = 0.0040161 k( 98) = ( 0.2567921 -0.3914873 0.7946783), wk = 0.0040161 k( 99) = ( 0.2451197 -0.3736924 0.7946783), wk = 0.0040161 k( 100) = ( 0.2334473 -0.3558975 0.7946783), wk = 0.0040161 k( 101) = ( 0.2217750 -0.3381026 0.7946783), wk = 0.0040161 k( 102) = ( 0.2101026 -0.3203078 0.7946783), wk = 0.0040161 k( 103) = ( 0.1984302 -0.3025129 0.7946783), wk = 0.0040161 k( 104) = ( 0.1867579 -0.2847180 0.7946783), wk = 0.0040161 k( 105) = ( 0.1750855 -0.2669231 0.7946783), wk = 0.0040161 k( 106) = ( 0.1634131 -0.2491283 0.7946783), wk = 0.0040161 k( 107) = ( 0.1517408 -0.2313334 0.7946783), wk = 0.0040161 k( 108) = ( 0.1400684 -0.2135385 0.7946783), wk = 0.0040161 k( 109) = ( 0.1283960 -0.1957436 0.7946783), wk = 0.0040161 k( 110) = ( 0.1167237 -0.1779488 0.7946783), wk = 0.0040161 k( 111) = ( 0.1050513 -0.1601539 0.7946783), wk = 0.0040161 k( 112) = ( 0.0933789 -0.1423590 0.7946783), wk = 0.0040161 k( 113) = ( 0.0817066 -0.1245641 0.7946783), wk = 0.0040161 k( 114) = ( 0.0700342 -0.1067693 0.7946783), wk = 0.0040161 k( 115) = ( 0.0583618 -0.0889744 0.7946783), wk = 0.0040161 k( 116) = ( 0.0466895 -0.0711795 0.7946783), wk = 0.0040161 k( 117) = ( 0.0350171 -0.0533846 0.7946783), wk = 0.0040161 k( 118) = ( 0.0233447 -0.0355897 0.7946783), wk = 0.0040161 k( 119) = ( 0.0116724 -0.0177949 0.7946783), wk = 0.0040161 k( 120) = ( 0.0000000 0.0000000 0.7946783), wk = 0.0040161 k( 121) = ( 0.0000000 0.0000000 0.7946783), wk = 0.0040161 k( 122) = ( 0.0182078 0.0119432 0.7946783), wk = 0.0040161 k( 123) = ( 0.0364155 0.0238864 0.7946783), wk = 0.0040161 k( 124) = ( 0.0546232 0.0358296 0.7946783), wk = 0.0040161 k( 125) = ( 0.0728310 0.0477727 0.7946783), wk = 0.0040161 k( 126) = ( 0.0910387 0.0597159 0.7946783), wk = 0.0040161 k( 127) = ( 0.1092465 0.0716591 0.7946784), wk = 0.0040161 k( 128) = ( 0.1274542 0.0836023 0.7946783), wk = 0.0040161 k( 129) = ( 0.1456620 0.0955455 0.7946784), wk = 0.0040161 k( 130) = ( 0.1638697 0.1074887 0.7946783), wk = 0.0040161 k( 131) = ( 0.1820775 0.1194318 0.7946783), wk = 0.0040161 k( 132) = ( 0.2002852 0.1313750 0.7946783), wk = 0.0040161 k( 133) = ( 0.2184929 0.1433182 0.7946783), wk = 0.0040161 k( 134) = ( 0.2367007 0.1552614 0.7946783), wk = 0.0040161 k( 135) = ( 0.2549084 0.1672046 0.7946784), wk = 0.0040161 k( 136) = ( 0.2731162 0.1791478 0.7946783), wk = 0.0040161 k( 137) = ( 0.2913239 0.1910909 0.7946784), wk = 0.0040161 k( 138) = ( 0.3095317 0.2030341 0.7946783), wk = 0.0040161 k( 139) = ( 0.5000000 0.3279699 -0.2501349), wk = 0.0040161 k( 140) = ( 0.5112376 0.3108378 -0.2501349), wk = 0.0040161 k( 141) = ( 0.5224753 0.2937057 -0.2501349), wk = 0.0040161 k( 142) = ( 0.5337129 0.2765736 -0.2501349), wk = 0.0040161 k( 143) = ( 0.5449505 0.2594415 -0.2501349), wk = 0.0040161 k( 144) = ( 0.5561881 0.2423094 -0.2501349), wk = 0.0040161 k( 145) = ( 0.5674258 0.2251772 -0.2501349), wk = 0.0040161 k( 146) = ( 0.5786634 0.2080452 -0.2501349), wk = 0.0040161 k( 147) = ( 0.5899010 0.1909130 -0.2501349), wk = 0.0040161 k( 148) = ( 0.6011386 0.1737809 -0.2501349), wk = 0.0040161 k( 149) = ( 0.6123763 0.1566488 -0.2501349), wk = 0.0040161 k( 150) = ( 0.6236139 0.1395167 -0.2501349), wk = 0.0040161 k( 151) = ( 0.3763861 -0.5738120 -0.0000000), wk = 0.0040161 k( 152) = ( 0.3642446 -0.5553019 -0.0000000), wk = 0.0040161 k( 153) = ( 0.3521031 -0.5367919 -0.0000000), wk = 0.0040161 k( 154) = ( 0.3399616 -0.5182818 -0.0000000), wk = 0.0040161 k( 155) = ( 0.3278201 -0.4997717 -0.0000000), wk = 0.0040161 k( 156) = ( 0.3156787 -0.4812617 -0.0000000), wk = 0.0040161 k( 157) = ( 0.3035372 -0.4627516 -0.0000000), wk = 0.0040161 k( 158) = ( 0.2913957 -0.4442416 -0.0000000), wk = 0.0040161 k( 159) = ( 0.2792542 -0.4257315 -0.0000000), wk = 0.0040161 k( 160) = ( 0.2671127 -0.4072214 -0.0000000), wk = 0.0040161 k( 161) = ( 0.2549712 -0.3887113 -0.0000000), wk = 0.0040161 k( 162) = ( 0.2428297 -0.3702013 -0.0000000), wk = 0.0040161 k( 163) = ( 0.2306883 -0.3516912 -0.0000000), wk = 0.0040161 k( 164) = ( 0.2185468 -0.3331812 -0.0000000), wk = 0.0040161 k( 165) = ( 0.2064053 -0.3146711 -0.0000000), wk = 0.0040161 k( 166) = ( 0.1942638 -0.2961610 -0.0000000), wk = 0.0040161 k( 167) = ( 0.1821223 -0.2776510 -0.0000000), wk = 0.0040161 k( 168) = ( 0.1699808 -0.2591409 -0.0000000), wk = 0.0040161 k( 169) = ( 0.1578393 -0.2406308 -0.0000000), wk = 0.0040161 k( 170) = ( 0.1456978 -0.2221208 -0.0000000), wk = 0.0040161 k( 171) = ( 0.1335564 -0.2036107 -0.0000000), wk = 0.0040161 k( 172) = ( 0.1214149 -0.1851006 -0.0000000), wk = 0.0040161 k( 173) = ( 0.1092734 -0.1665906 -0.0000000), wk = 0.0040161 k( 174) = ( 0.0971319 -0.1480805 -0.0000000), wk = 0.0040161 k( 175) = ( 0.0849904 -0.1295705 -0.0000000), wk = 0.0040161 k( 176) = ( 0.0728489 -0.1110604 -0.0000000), wk = 0.0040161 k( 177) = ( 0.0607074 -0.0925503 -0.0000000), wk = 0.0040161 k( 178) = ( 0.0485659 -0.0740403 -0.0000000), wk = 0.0040161 k( 179) = ( 0.0364245 -0.0555302 -0.0000000), wk = 0.0040161 k( 180) = ( 0.0242830 -0.0370201 -0.0000000), wk = 0.0040161 k( 181) = ( 0.0121415 -0.0185101 -0.0000000), wk = 0.0040161 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 184) = ( 0.0192308 -0.0083518 -0.0048103), wk = 0.0040161 k( 185) = ( 0.0384615 -0.0167037 -0.0096206), wk = 0.0040161 k( 186) = ( 0.0576923 -0.0250555 -0.0144309), wk = 0.0040161 k( 187) = ( 0.0769231 -0.0334073 -0.0192411), wk = 0.0040161 k( 188) = ( 0.0961538 -0.0417592 -0.0240514), wk = 0.0040161 k( 189) = ( 0.1153846 -0.0501110 -0.0288617), wk = 0.0040161 k( 190) = ( 0.1346154 -0.0584628 -0.0336720), wk = 0.0040161 k( 191) = ( 0.1538461 -0.0668147 -0.0384823), wk = 0.0040161 k( 192) = ( 0.1730769 -0.0751665 -0.0432926), wk = 0.0040161 k( 193) = ( 0.1923077 -0.0835183 -0.0481029), wk = 0.0040161 k( 194) = ( 0.2115385 -0.0918702 -0.0529132), wk = 0.0040161 k( 195) = ( 0.2307692 -0.1002220 -0.0577234), wk = 0.0040161 k( 196) = ( 0.2500000 -0.1085738 -0.0625337), wk = 0.0040161 k( 197) = ( 0.2692308 -0.1169256 -0.0673440), wk = 0.0040161 k( 198) = ( 0.2884615 -0.1252775 -0.0721543), wk = 0.0040161 k( 199) = ( 0.3076923 -0.1336293 -0.0769646), wk = 0.0040161 k( 200) = ( 0.3269231 -0.1419811 -0.0817749), wk = 0.0040161 k( 201) = ( 0.3461538 -0.1503330 -0.0865852), wk = 0.0040161 k( 202) = ( 0.3653846 -0.1586848 -0.0913954), wk = 0.0040161 k( 203) = ( 0.3846154 -0.1670366 -0.0962057), wk = 0.0040161 k( 204) = ( 0.4038462 -0.1753885 -0.1010160), wk = 0.0040161 k( 205) = ( 0.4230769 -0.1837403 -0.1058263), wk = 0.0040161 k( 206) = ( 0.4423077 -0.1920921 -0.1106366), wk = 0.0040161 k( 207) = ( 0.4615385 -0.2004440 -0.1154469), wk = 0.0040161 k( 208) = ( 0.4807692 -0.2087958 -0.1202572), wk = 0.0040161 k( 209) = ( 0.5000000 -0.2171476 -0.1250675), wk = 0.0040161 k( 210) = ( 0.5000000 -0.2171476 0.6696109), wk = 0.0040161 k( 211) = ( 0.4871795 -0.2115797 0.6524414), wk = 0.0040161 k( 212) = ( 0.4743590 -0.2060119 0.6352719), wk = 0.0040161 k( 213) = ( 0.4615385 -0.2004440 0.6181024), wk = 0.0040161 k( 214) = ( 0.4487179 -0.1948761 0.6009329), wk = 0.0040161 k( 215) = ( 0.4358974 -0.1893082 0.5837633), wk = 0.0040161 k( 216) = ( 0.4230769 -0.1837403 0.5665938), wk = 0.0040161 k( 217) = ( 0.4102564 -0.1781724 0.5494243), wk = 0.0040161 k( 218) = ( 0.3974359 -0.1726045 0.5322548), wk = 0.0040161 k( 219) = ( 0.3846154 -0.1670366 0.5150853), wk = 0.0040161 k( 220) = ( 0.3717949 -0.1614688 0.4979158), wk = 0.0040161 k( 221) = ( 0.3589744 -0.1559009 0.4807463), wk = 0.0040161 k( 222) = ( 0.3461538 -0.1503330 0.4635768), wk = 0.0040161 k( 223) = ( 0.3333333 -0.1447651 0.4464073), wk = 0.0040161 k( 224) = ( 0.3205128 -0.1391972 0.4292377), wk = 0.0040161 k( 225) = ( 0.3076923 -0.1336293 0.4120682), wk = 0.0040161 k( 226) = ( 0.2948718 -0.1280614 0.3948987), wk = 0.0040161 k( 227) = ( 0.2820513 -0.1224935 0.3777292), wk = 0.0040161 k( 228) = ( 0.2692308 -0.1169256 0.3605597), wk = 0.0040161 k( 229) = ( 0.2564103 -0.1113578 0.3433902), wk = 0.0040161 k( 230) = ( 0.2435897 -0.1057899 0.3262207), wk = 0.0040161 k( 231) = ( 0.2307692 -0.1002220 0.3090512), wk = 0.0040161 k( 232) = ( 0.2179487 -0.0946541 0.2918817), wk = 0.0040161 k( 233) = ( 0.2051282 -0.0890862 0.2747122), wk = 0.0040161 k( 234) = ( 0.1923077 -0.0835183 0.2575426), wk = 0.0040161 k( 235) = ( 0.1794872 -0.0779504 0.2403731), wk = 0.0040161 k( 236) = ( 0.1666667 -0.0723825 0.2232036), wk = 0.0040161 k( 237) = ( 0.1538461 -0.0668147 0.2060341), wk = 0.0040161 k( 238) = ( 0.1410256 -0.0612468 0.1888646), wk = 0.0040161 k( 239) = ( 0.1282051 -0.0556789 0.1716951), wk = 0.0040161 k( 240) = ( 0.1153846 -0.0501110 0.1545256), wk = 0.0040161 k( 241) = ( 0.1025641 -0.0445431 0.1373561), wk = 0.0040161 k( 242) = ( 0.0897436 -0.0389752 0.1201866), wk = 0.0040161 k( 243) = ( 0.0769231 -0.0334073 0.1030171), wk = 0.0040161 k( 244) = ( 0.0641026 -0.0278394 0.0858475), wk = 0.0040161 k( 245) = ( 0.0512821 -0.0222716 0.0686780), wk = 0.0040161 k( 246) = ( 0.0384615 -0.0167037 0.0515085), wk = 0.0040161 k( 247) = ( 0.0256410 -0.0111358 0.0343390), wk = 0.0040161 k( 248) = ( 0.0128205 -0.0055679 0.0171695), wk = 0.0040161 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 2) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0040161 k( 3) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0040161 k( 4) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0040161 k( 5) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0040161 k( 6) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0040161 k( 7) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0040161 k( 8) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0040161 k( 9) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0040161 k( 10) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0040161 k( 11) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0040161 k( 12) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0040161 k( 13) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0040161 k( 14) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0040161 k( 15) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0040161 k( 16) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0040161 k( 17) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0040161 k( 18) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0040161 k( 19) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0040161 k( 20) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0040161 k( 21) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040161 k( 22) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0040161 k( 23) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0040161 k( 24) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0040161 k( 25) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0040161 k( 26) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0040161 k( 27) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0040161 k( 28) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0040161 k( 29) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0040161 k( 30) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0040161 k( 31) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040161 k( 32) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040161 k( 33) = ( 0.5070544 0.5070544 0.0149100), wk = 0.0040161 k( 34) = ( 0.5141088 0.5141088 0.0298201), wk = 0.0040161 k( 35) = ( 0.5211632 0.5211632 0.0447301), wk = 0.0040161 k( 36) = ( 0.5282175 0.5282175 0.0596402), wk = 0.0040161 k( 37) = ( 0.5352719 0.5352719 0.0745502), wk = 0.0040161 k( 38) = ( 0.5423263 0.5423263 0.0894602), wk = 0.0040161 k( 39) = ( 0.5493807 0.5493807 0.1043703), wk = 0.0040161 k( 40) = ( 0.5564351 0.5564351 0.1192803), wk = 0.0040161 k( 41) = ( 0.5634894 0.5634894 0.1341904), wk = 0.0040161 k( 42) = ( 0.5705438 0.5705438 0.1491004), wk = 0.0040161 k( 43) = ( 0.5775982 0.5775982 0.1640104), wk = 0.0040161 k( 44) = ( 0.5846526 0.5846526 0.1789205), wk = 0.0040161 k( 45) = ( 0.5917070 0.5917070 0.1938305), wk = 0.0040161 k( 46) = ( 0.5987613 0.5987613 0.2087405), wk = 0.0040161 k( 47) = ( 0.6058157 0.6058157 0.2236506), wk = 0.0040161 k( 48) = ( 0.6128701 0.6128701 0.2385606), wk = 0.0040161 k( 49) = ( 0.6199245 0.6199245 0.2534707), wk = 0.0040161 k( 50) = ( 0.6269789 0.6269789 0.2683807), wk = 0.0040161 k( 51) = ( 0.6340333 0.6340333 0.2832907), wk = 0.0040161 k( 52) = ( 0.6410877 0.6410877 0.2982008), wk = 0.0040161 k( 53) = ( 0.6481420 0.6481420 0.3131108), wk = 0.0040161 k( 54) = ( 0.6551964 0.6551964 0.3280209), wk = 0.0040161 k( 55) = ( 0.6622508 0.6622508 0.3429309), wk = 0.0040161 k( 56) = ( 0.6693052 0.6693052 0.3578409), wk = 0.0040161 k( 57) = ( 0.6763596 0.6763596 0.3727510), wk = 0.0040161 k( 58) = ( 0.6834139 0.6834139 0.3876610), wk = 0.0040161 k( 59) = ( 0.6904683 0.6904683 0.4025711), wk = 0.0040161 k( 60) = ( 0.6904683 0.6904683 0.4025711), wk = 0.0040161 k( 61) = ( 0.6785641 0.6785641 0.4086604), wk = 0.0040161 k( 62) = ( 0.6666598 0.6666598 0.4147497), wk = 0.0040161 k( 63) = ( 0.6547555 0.6547555 0.4208390), wk = 0.0040161 k( 64) = ( 0.6428512 0.6428512 0.4269283), wk = 0.0040161 k( 65) = ( 0.6309470 0.6309470 0.4330176), wk = 0.0040161 k( 66) = ( 0.6190427 0.6190427 0.4391069), wk = 0.0040161 k( 67) = ( 0.6071384 0.6071384 0.4451962), wk = 0.0040161 k( 68) = ( 0.5952342 0.5952342 0.4512855), wk = 0.0040161 k( 69) = ( 0.5833299 0.5833299 0.4573748), wk = 0.0040161 k( 70) = ( 0.5714256 0.5714256 0.4634641), wk = 0.0040161 k( 71) = ( 0.5595214 0.5595214 0.4695534), wk = 0.0040161 k( 72) = ( 0.5476171 0.5476171 0.4756428), wk = 0.0040161 k( 73) = ( 0.5357128 0.5357128 0.4817321), wk = 0.0040161 k( 74) = ( 0.5238085 0.5238085 0.4878214), wk = 0.0040161 k( 75) = ( 0.5119043 0.5119043 0.4939107), wk = 0.0040161 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040161 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040161 k( 78) = ( 0.5121604 0.4878396 0.5000000), wk = 0.0040161 k( 79) = ( 0.5243208 0.4756792 0.5000000), wk = 0.0040161 k( 80) = ( 0.5364812 0.4635188 0.5000000), wk = 0.0040161 k( 81) = ( 0.5486416 0.4513584 0.5000000), wk = 0.0040161 k( 82) = ( 0.5608020 0.4391980 0.5000000), wk = 0.0040161 k( 83) = ( 0.5729624 0.4270376 0.5000000), wk = 0.0040161 k( 84) = ( 0.5851228 0.4148772 0.5000000), wk = 0.0040161 k( 85) = ( 0.5972832 0.4027168 0.5000000), wk = 0.0040161 k( 86) = ( 0.6094436 0.3905564 0.5000000), wk = 0.0040161 k( 87) = ( 0.6216040 0.3783960 0.5000000), wk = 0.0040161 k( 88) = ( 0.6337644 0.3662356 0.5000000), wk = 0.0040161 k( 89) = ( 0.6459248 0.3540752 0.5000000), wk = 0.0040161 k( 90) = ( 0.6580852 0.3419148 0.5000000), wk = 0.0040161 k( 91) = ( 0.6702456 0.3297544 0.5000000), wk = 0.0040161 k( 92) = ( 0.6824060 0.3175941 0.5000000), wk = 0.0040161 k( 93) = ( 0.6945663 0.3054337 0.5000000), wk = 0.0040161 k( 94) = ( 0.7067267 0.2932732 0.5000000), wk = 0.0040161 k( 95) = ( 0.7188872 0.2811129 0.5000000), wk = 0.0040161 k( 96) = ( 0.7310475 0.2689525 0.5000000), wk = 0.0040161 k( 97) = ( 0.7432079 0.2567921 0.5000000), wk = 0.0040161 k( 98) = ( 0.2567921 -0.2567921 0.5000000), wk = 0.0040161 k( 99) = ( 0.2451197 -0.2451197 0.5000000), wk = 0.0040161 k( 100) = ( 0.2334473 -0.2334473 0.5000000), wk = 0.0040161 k( 101) = ( 0.2217750 -0.2217750 0.5000000), wk = 0.0040161 k( 102) = ( 0.2101026 -0.2101026 0.5000000), wk = 0.0040161 k( 103) = ( 0.1984302 -0.1984302 0.5000000), wk = 0.0040161 k( 104) = ( 0.1867579 -0.1867579 0.5000000), wk = 0.0040161 k( 105) = ( 0.1750855 -0.1750855 0.5000000), wk = 0.0040161 k( 106) = ( 0.1634131 -0.1634131 0.5000000), wk = 0.0040161 k( 107) = ( 0.1517408 -0.1517408 0.5000000), wk = 0.0040161 k( 108) = ( 0.1400684 -0.1400684 0.5000000), wk = 0.0040161 k( 109) = ( 0.1283960 -0.1283960 0.5000000), wk = 0.0040161 k( 110) = ( 0.1167237 -0.1167237 0.5000000), wk = 0.0040161 k( 111) = ( 0.1050513 -0.1050513 0.5000000), wk = 0.0040161 k( 112) = ( 0.0933789 -0.0933789 0.5000000), wk = 0.0040161 k( 113) = ( 0.0817066 -0.0817066 0.5000000), wk = 0.0040161 k( 114) = ( 0.0700342 -0.0700342 0.5000000), wk = 0.0040161 k( 115) = ( 0.0583618 -0.0583618 0.5000000), wk = 0.0040161 k( 116) = ( 0.0466895 -0.0466895 0.5000000), wk = 0.0040161 k( 117) = ( 0.0350171 -0.0350171 0.5000000), wk = 0.0040161 k( 118) = ( 0.0233447 -0.0233447 0.5000000), wk = 0.0040161 k( 119) = ( 0.0116724 -0.0116724 0.5000000), wk = 0.0040161 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040161 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040161 k( 122) = ( 0.0182078 0.0182077 0.5057311), wk = 0.0040161 k( 123) = ( 0.0364155 0.0364155 0.5114622), wk = 0.0040161 k( 124) = ( 0.0546232 0.0546232 0.5171933), wk = 0.0040161 k( 125) = ( 0.0728310 0.0728310 0.5229245), wk = 0.0040161 k( 126) = ( 0.0910387 0.0910387 0.5286556), wk = 0.0040161 k( 127) = ( 0.1092465 0.1092465 0.5343867), wk = 0.0040161 k( 128) = ( 0.1274542 0.1274542 0.5401178), wk = 0.0040161 k( 129) = ( 0.1456620 0.1456620 0.5458489), wk = 0.0040161 k( 130) = ( 0.1638697 0.1638697 0.5515800), wk = 0.0040161 k( 131) = ( 0.1820775 0.1820775 0.5573111), wk = 0.0040161 k( 132) = ( 0.2002852 0.2002852 0.5630423), wk = 0.0040161 k( 133) = ( 0.2184929 0.2184930 0.5687734), wk = 0.0040161 k( 134) = ( 0.2367007 0.2367007 0.5745045), wk = 0.0040161 k( 135) = ( 0.2549084 0.2549084 0.5802356), wk = 0.0040161 k( 136) = ( 0.2731162 0.2731162 0.5859667), wk = 0.0040161 k( 137) = ( 0.2913239 0.2913239 0.5916978), wk = 0.0040161 k( 138) = ( 0.3095317 0.3095317 0.5974290), wk = 0.0040161 k( 139) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040161 k( 140) = ( 0.5112376 0.4887624 -0.0000000), wk = 0.0040161 k( 141) = ( 0.5224753 0.4775247 -0.0000000), wk = 0.0040161 k( 142) = ( 0.5337129 0.4662871 0.0000000), wk = 0.0040161 k( 143) = ( 0.5449505 0.4550495 -0.0000000), wk = 0.0040161 k( 144) = ( 0.5561881 0.4438119 -0.0000000), wk = 0.0040161 k( 145) = ( 0.5674258 0.4325742 -0.0000000), wk = 0.0040161 k( 146) = ( 0.5786634 0.4213366 0.0000000), wk = 0.0040161 k( 147) = ( 0.5899010 0.4100990 0.0000000), wk = 0.0040161 k( 148) = ( 0.6011386 0.3988614 -0.0000000), wk = 0.0040161 k( 149) = ( 0.6123763 0.3876237 -0.0000000), wk = 0.0040161 k( 150) = ( 0.6236139 0.3763861 -0.0000000), wk = 0.0040161 k( 151) = ( 0.3763861 -0.3763861 -0.0000000), wk = 0.0040161 k( 152) = ( 0.3642446 -0.3642446 0.0000000), wk = 0.0040161 k( 153) = ( 0.3521031 -0.3521031 -0.0000000), wk = 0.0040161 k( 154) = ( 0.3399616 -0.3399616 -0.0000000), wk = 0.0040161 k( 155) = ( 0.3278201 -0.3278201 0.0000000), wk = 0.0040161 k( 156) = ( 0.3156787 -0.3156787 -0.0000000), wk = 0.0040161 k( 157) = ( 0.3035372 -0.3035372 -0.0000000), wk = 0.0040161 k( 158) = ( 0.2913957 -0.2913957 0.0000000), wk = 0.0040161 k( 159) = ( 0.2792542 -0.2792542 0.0000000), wk = 0.0040161 k( 160) = ( 0.2671127 -0.2671127 0.0000000), wk = 0.0040161 k( 161) = ( 0.2549712 -0.2549712 0.0000000), wk = 0.0040161 k( 162) = ( 0.2428297 -0.2428297 -0.0000000), wk = 0.0040161 k( 163) = ( 0.2306883 -0.2306882 0.0000000), wk = 0.0040161 k( 164) = ( 0.2185468 -0.2185468 -0.0000000), wk = 0.0040161 k( 165) = ( 0.2064053 -0.2064053 0.0000000), wk = 0.0040161 k( 166) = ( 0.1942638 -0.1942638 0.0000000), wk = 0.0040161 k( 167) = ( 0.1821223 -0.1821223 0.0000000), wk = 0.0040161 k( 168) = ( 0.1699808 -0.1699808 -0.0000000), wk = 0.0040161 k( 169) = ( 0.1578393 -0.1578393 -0.0000000), wk = 0.0040161 k( 170) = ( 0.1456978 -0.1456978 -0.0000000), wk = 0.0040161 k( 171) = ( 0.1335564 -0.1335564 -0.0000000), wk = 0.0040161 k( 172) = ( 0.1214149 -0.1214149 -0.0000000), wk = 0.0040161 k( 173) = ( 0.1092734 -0.1092734 -0.0000000), wk = 0.0040161 k( 174) = ( 0.0971319 -0.0971319 -0.0000000), wk = 0.0040161 k( 175) = ( 0.0849904 -0.0849904 -0.0000000), wk = 0.0040161 k( 176) = ( 0.0728489 -0.0728489 -0.0000000), wk = 0.0040161 k( 177) = ( 0.0607074 -0.0607074 0.0000000), wk = 0.0040161 k( 178) = ( 0.0485659 -0.0485659 -0.0000000), wk = 0.0040161 k( 179) = ( 0.0364245 -0.0364245 -0.0000000), wk = 0.0040161 k( 180) = ( 0.0242830 -0.0242830 0.0000000), wk = 0.0040161 k( 181) = ( 0.0121415 -0.0121415 -0.0000000), wk = 0.0040161 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 184) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0040161 k( 185) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0040161 k( 186) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0040161 k( 187) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0040161 k( 188) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0040161 k( 189) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0040161 k( 190) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0040161 k( 191) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0040161 k( 192) = ( 0.1730769 -0.0000000 -0.0000000), wk = 0.0040161 k( 193) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0040161 k( 194) = ( 0.2115385 0.0000000 -0.0000000), wk = 0.0040161 k( 195) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0040161 k( 196) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0040161 k( 197) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0040161 k( 198) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0040161 k( 199) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0040161 k( 200) = ( 0.3269231 -0.0000000 0.0000000), wk = 0.0040161 k( 201) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0040161 k( 202) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0040161 k( 203) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0040161 k( 204) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0040161 k( 205) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0040161 k( 206) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0040161 k( 207) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0040161 k( 208) = ( 0.4807692 0.0000000 -0.0000000), wk = 0.0040161 k( 209) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040161 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040161 k( 211) = ( 0.4871795 0.0000000 0.4871795), wk = 0.0040161 k( 212) = ( 0.4743590 0.0000000 0.4743590), wk = 0.0040161 k( 213) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0040161 k( 214) = ( 0.4487179 -0.0000000 0.4487179), wk = 0.0040161 k( 215) = ( 0.4358974 0.0000000 0.4358974), wk = 0.0040161 k( 216) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0040161 k( 217) = ( 0.4102564 -0.0000000 0.4102564), wk = 0.0040161 k( 218) = ( 0.3974359 0.0000000 0.3974359), wk = 0.0040161 k( 219) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0040161 k( 220) = ( 0.3717949 -0.0000000 0.3717949), wk = 0.0040161 k( 221) = ( 0.3589744 -0.0000000 0.3589744), wk = 0.0040161 k( 222) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0040161 k( 223) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0040161 k( 224) = ( 0.3205128 0.0000000 0.3205128), wk = 0.0040161 k( 225) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0040161 k( 226) = ( 0.2948718 0.0000000 0.2948718), wk = 0.0040161 k( 227) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0040161 k( 228) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0040161 k( 229) = ( 0.2564103 0.0000000 0.2564103), wk = 0.0040161 k( 230) = ( 0.2435897 -0.0000000 0.2435897), wk = 0.0040161 k( 231) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0040161 k( 232) = ( 0.2179487 0.0000000 0.2179487), wk = 0.0040161 k( 233) = ( 0.2051282 0.0000000 0.2051282), wk = 0.0040161 k( 234) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0040161 k( 235) = ( 0.1794872 -0.0000000 0.1794872), wk = 0.0040161 k( 236) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0040161 k( 237) = ( 0.1538461 0.0000000 0.1538462), wk = 0.0040161 k( 238) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0040161 k( 239) = ( 0.1282051 0.0000000 0.1282051), wk = 0.0040161 k( 240) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0040161 k( 241) = ( 0.1025641 0.0000000 0.1025641), wk = 0.0040161 k( 242) = ( 0.0897436 -0.0000000 0.0897436), wk = 0.0040161 k( 243) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0040161 k( 244) = ( 0.0641026 0.0000000 0.0641026), wk = 0.0040161 k( 245) = ( 0.0512821 0.0000000 0.0512821), wk = 0.0040161 k( 246) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0040161 k( 247) = ( 0.0256410 0.0000000 0.0256410), wk = 0.0040161 k( 248) = ( 0.0128205 0.0000000 0.0128205), wk = 0.0040161 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 Dense grid: 60119 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 41989 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 294, 60) NL pseudopotentials 0.61 Mb ( 147, 274) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1670) G-vector shells 0.01 Mb ( 1639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.08 Mb ( 294, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.50 Mb ( 274, 2, 60) The potential is recalculated from file : ./BaP3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.9 secs Computing kpt #: 14 total cpu time spent up to now is 14.5 secs Computing kpt #: 15 total cpu time spent up to now is 15.1 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.0 secs Computing kpt #: 19 total cpu time spent up to now is 17.7 secs Computing kpt #: 20 total cpu time spent up to now is 18.3 secs Computing kpt #: 21 total cpu time spent up to now is 19.0 secs Computing kpt #: 22 total cpu time spent up to now is 19.6 secs Computing kpt #: 23 total cpu time spent up to now is 20.3 secs Computing kpt #: 24 total cpu time spent up to now is 20.9 secs Computing kpt #: 25 total cpu time spent up to now is 21.6 secs Computing kpt #: 26 total cpu time spent up to now is 22.3 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.6 secs Computing kpt #: 29 total cpu time spent up to now is 24.3 secs Computing kpt #: 30 total cpu time spent up to now is 25.0 secs Computing kpt #: 31 total cpu time spent up to now is 25.6 secs Computing kpt #: 32 total cpu time spent up to now is 26.3 secs Computing kpt #: 33 total cpu time spent up to now is 27.0 secs Computing kpt #: 34 total cpu time spent up to now is 27.6 secs Computing kpt #: 35 total cpu time spent up to now is 28.3 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.6 secs Computing kpt #: 38 total cpu time spent up to now is 30.3 secs Computing kpt #: 39 total cpu time spent up to now is 31.0 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.3 secs Computing kpt #: 42 total cpu time spent up to now is 32.9 secs Computing kpt #: 43 total cpu time spent up to now is 33.6 secs Computing kpt #: 44 total cpu time spent up to now is 34.2 secs Computing kpt #: 45 total cpu time spent up to now is 35.0 secs Computing kpt #: 46 total cpu time spent up to now is 36.0 secs Computing kpt #: 47 total cpu time spent up to now is 37.0 secs Computing kpt #: 48 total cpu time spent up to now is 38.1 secs Computing kpt #: 49 total cpu time spent up to now is 39.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.4 secs Computing kpt #: 51 total cpu time spent up to now is 41.5 secs Computing kpt #: 52 total cpu time spent up to now is 42.5 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.3 secs Computing kpt #: 55 total cpu time spent up to now is 45.1 secs Computing kpt #: 56 total cpu time spent up to now is 46.0 secs Computing kpt #: 57 total cpu time spent up to now is 46.8 secs Computing kpt #: 58 total cpu time spent up to now is 47.6 secs Computing kpt #: 59 total cpu time spent up to now is 48.4 secs Computing kpt #: 60 total cpu time spent up to now is 49.2 secs Computing kpt #: 61 total cpu time spent up to now is 50.0 secs Computing kpt #: 62 total cpu time spent up to now is 50.8 secs Computing kpt #: 63 total cpu time spent up to now is 51.6 secs Computing kpt #: 64 total cpu time spent up to now is 52.5 secs Computing kpt #: 65 total cpu time spent up to now is 53.4 secs Computing kpt #: 66 total cpu time spent up to now is 54.4 secs Computing kpt #: 67 total cpu time spent up to now is 55.5 secs Computing kpt #: 68 total cpu time spent up to now is 56.6 secs Computing kpt #: 69 total cpu time spent up to now is 57.5 secs Computing kpt #: 70 total cpu time spent up to now is 58.4 secs Computing kpt #: 71 total cpu time spent up to now is 59.3 secs Computing kpt #: 72 total cpu time spent up to now is 60.3 secs Computing kpt #: 73 total cpu time spent up to now is 61.1 secs Computing kpt #: 74 total cpu time spent up to now is 62.0 secs Computing kpt #: 75 total cpu time spent up to now is 62.8 secs Computing kpt #: 76 total cpu time spent up to now is 63.7 secs Computing 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is 76.0 secs Computing kpt #: 93 total cpu time spent up to now is 76.6 secs Computing kpt #: 94 total cpu time spent up to now is 77.3 secs Computing kpt #: 95 total cpu time spent up to now is 78.0 secs Computing kpt #: 96 total cpu time spent up to now is 78.8 secs Computing kpt #: 97 total cpu time spent up to now is 79.6 secs Computing kpt #: 98 total cpu time spent up to now is 80.5 secs Computing kpt #: 99 total cpu time spent up to now is 81.4 secs Computing kpt #: 100 total cpu time spent up to now is 82.3 secs Computing kpt #: 101 total cpu time spent up to now is 83.2 secs Computing kpt #: 102 total cpu time spent up to now is 84.0 secs Computing kpt #: 103 total cpu time spent up to now is 84.9 secs Computing kpt #: 104 total cpu time spent up to now is 85.7 secs Computing kpt #: 105 total cpu time spent up to now is 86.5 secs Computing kpt #: 106 total cpu time spent up to now is 87.3 secs Computing kpt #: 107 total cpu time spent up to now is 88.1 secs Computing kpt #: 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up to now is 100.9 secs Computing kpt #: 124 total cpu time spent up to now is 101.8 secs Computing kpt #: 125 total cpu time spent up to now is 102.7 secs Computing kpt #: 126 total cpu time spent up to now is 103.7 secs Computing kpt #: 127 total cpu time spent up to now is 104.6 secs Computing kpt #: 128 total cpu time spent up to now is 105.4 secs Computing kpt #: 129 total cpu time spent up to now is 106.2 secs Computing kpt #: 130 total cpu time spent up to now is 107.1 secs Computing kpt #: 131 total cpu time spent up to now is 107.9 secs Computing kpt #: 132 total cpu time spent up to now is 108.7 secs Computing kpt #: 133 total cpu time spent up to now is 109.5 secs Computing kpt #: 134 total cpu time spent up to now is 110.3 secs Computing kpt #: 135 total cpu time spent up to now is 111.1 secs Computing kpt #: 136 total cpu time spent up to now is 111.9 secs Computing kpt #: 137 total cpu time spent up to now is 112.7 secs Computing kpt #: 138 total cpu time spent up to now 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Computing kpt #: 169 total cpu time spent up to now is 137.4 secs Computing kpt #: 170 total cpu time spent up to now is 138.7 secs Computing kpt #: 171 total cpu time spent up to now is 139.8 secs Computing kpt #: 172 total cpu time spent up to now is 140.7 secs Computing kpt #: 173 total cpu time spent up to now is 141.7 secs Computing kpt #: 174 total cpu time spent up to now is 142.6 secs Computing kpt #: 175 total cpu time spent up to now is 143.5 secs Computing kpt #: 176 total cpu time spent up to now is 144.4 secs Computing kpt #: 177 total cpu time spent up to now is 145.4 secs Computing kpt #: 178 total cpu time spent up to now is 146.3 secs Computing kpt #: 179 total cpu time spent up to now is 147.2 secs Computing kpt #: 180 total cpu time spent up to now is 148.1 secs Computing kpt #: 181 total cpu time spent up to now is 149.0 secs Computing kpt #: 182 total cpu time spent up to now is 150.1 secs Computing kpt #: 183 total cpu time spent up to now is 151.1 secs Computing kpt #: 184 total cpu time spent up to now is 152.2 secs Computing kpt #: 185 total cpu time spent up to now is 153.1 secs Computing kpt #: 186 total cpu time spent up to now is 154.2 secs Computing kpt #: 187 total cpu time spent up to now is 155.0 secs Computing kpt #: 188 total cpu time spent up to now is 156.1 secs Computing kpt #: 189 total cpu time spent up to now is 157.0 secs Computing kpt #: 190 total cpu time spent up to now is 157.9 secs Computing kpt #: 191 total cpu time spent up to now is 158.8 secs Computing kpt #: 192 total cpu time spent up to now is 159.6 secs Computing kpt #: 193 total cpu time spent up to now is 160.5 secs Computing kpt #: 194 total cpu time spent up to now is 161.4 secs Computing kpt #: 195 total cpu time spent up to now is 162.3 secs Computing kpt #: 196 total cpu time spent up to now is 163.3 secs Computing kpt #: 197 total cpu time spent up to now is 164.4 secs Computing kpt #: 198 total cpu time spent up to now is 165.4 secs Computing kpt #: 199 total cpu time spent up to now is 166.3 secs Computing kpt #: 200 total cpu time spent up to now is 167.2 secs Computing kpt #: 201 total cpu time spent up to now is 168.0 secs Computing kpt #: 202 total cpu time spent up to now is 168.9 secs Computing kpt #: 203 total cpu time spent up to now is 169.7 secs Computing kpt #: 204 total cpu time spent up to now is 170.4 secs Computing kpt #: 205 total cpu time spent up to now is 171.2 secs Computing kpt #: 206 total cpu time spent up to now is 171.9 secs Computing kpt #: 207 total cpu time spent up to now is 172.6 secs Computing kpt #: 208 total cpu time spent up to now is 173.3 secs Computing kpt #: 209 total cpu time spent up to now is 173.9 secs Computing kpt #: 210 total cpu time spent up to now is 174.7 secs Computing kpt #: 211 total cpu time spent up to now is 175.5 secs Computing kpt #: 212 total cpu time spent up to now is 176.4 secs Computing kpt #: 213 total cpu time spent up to now is 177.2 secs Computing kpt #: 214 total cpu time spent up to now is 178.2 secs Computing kpt #: 215 total cpu time spent up to now is 179.1 secs Computing kpt #: 216 total cpu time spent up to now is 180.0 secs Computing kpt #: 217 total cpu time spent up to now is 181.0 secs Computing kpt #: 218 total cpu time spent up to now is 181.9 secs Computing kpt #: 219 total cpu time spent up to now is 182.8 secs Computing kpt #: 220 total cpu time spent up to now is 183.6 secs Computing kpt #: 221 total cpu time spent up to now is 184.5 secs Computing kpt #: 222 total cpu time spent up to now is 185.3 secs Computing kpt #: 223 total cpu time spent up to now is 186.0 secs Computing kpt #: 224 total cpu time spent up to now is 186.8 secs Computing kpt #: 225 total cpu time spent up to now is 187.5 secs Computing kpt #: 226 total cpu time spent up to now is 188.3 secs Computing kpt #: 227 total cpu time spent up to now is 189.0 secs Computing kpt #: 228 total cpu time spent up to now is 189.8 secs Computing kpt #: 229 total cpu time spent up to now is 190.6 secs Computing kpt #: 230 total cpu time spent up to now is 191.4 secs Computing kpt #: 231 total cpu time spent up to now is 192.2 secs Computing kpt #: 232 total cpu time spent up to now is 193.1 secs Computing kpt #: 233 total cpu time spent up to now is 193.9 secs Computing kpt #: 234 total cpu time spent up to now is 194.8 secs Computing kpt #: 235 total cpu time spent up to now is 195.6 secs Computing kpt #: 236 total cpu time spent up to now is 196.4 secs Computing kpt #: 237 total cpu time spent up to now is 197.3 secs Computing kpt #: 238 total cpu time spent up to now is 198.2 secs Computing kpt #: 239 total cpu time spent up to now is 199.1 secs Computing kpt #: 240 total cpu time spent up to now is 199.9 secs Computing kpt #: 241 total cpu time spent up to now is 200.8 secs Computing kpt #: 242 total cpu time spent up to now is 201.8 secs Computing kpt #: 243 total cpu time spent up to now is 203.0 secs Computing kpt #: 244 total cpu time spent up to now is 204.1 secs Computing kpt #: 245 total cpu time spent up to now is 205.2 secs Computing kpt #: 246 total cpu time spent up to now is 206.3 secs Computing kpt #: 247 total cpu time spent up to now is 207.3 secs Computing kpt #: 248 total cpu time spent up to now is 208.4 secs Computing kpt #: 249 total cpu time spent up to now is 209.5 secs ethr = 2.00E-08, avg # of iterations = 30.4 total cpu time spent up to now is 209.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5215 PWs) bands (ev): -19.7567 -19.7567 -19.7018 -19.7018 -6.5473 -6.5473 -6.3890 -6.3890 -6.1351 -6.1351 -4.7242 -4.7242 -4.6532 -4.6532 -4.4959 -4.4959 -4.4229 -4.4229 -3.5704 -3.5704 -3.3731 -3.3731 -1.7423 -1.7423 -1.0231 -1.0231 1.8619 1.8619 2.6157 2.6157 2.7096 2.7096 3.4460 3.4460 4.4626 4.4626 5.1781 5.1781 6.0036 6.0036 6.0930 6.0930 6.7623 6.7623 7.0494 7.0494 7.1452 7.1452 7.4878 7.4878 8.2728 8.2728 8.9428 8.9428 9.1158 9.1158 10.0232 10.0232 10.4311 10.4311 k = 0.0167 0.0109-0.0083 ( 5217 PWs) bands (ev): -19.7567 -19.7567 -19.7019 -19.7019 -6.5472 -6.5472 -6.3903 -6.3903 -6.1341 -6.1341 -4.7261 -4.7261 -4.6528 -4.6528 -4.4960 -4.4960 -4.4205 -4.4205 -3.5697 -3.5697 -3.3740 -3.3740 -1.7421 -1.7421 -1.0228 -1.0228 1.8617 1.8617 2.6173 2.6173 2.7094 2.7094 3.4455 3.4455 4.4628 4.4628 5.1771 5.1771 6.0021 6.0021 6.0900 6.0900 6.7597 6.7597 7.0479 7.0479 7.1444 7.1444 7.4857 7.4857 8.2698 8.2698 8.9486 8.9486 9.1222 9.1222 10.0224 10.0224 10.4292 10.4292 k = 0.0333 0.0219-0.0167 ( 5215 PWs) bands (ev): -19.7565 -19.7565 -19.7020 -19.7020 -6.5470 -6.5470 -6.3944 -6.3944 -6.1312 -6.1312 -4.7313 -4.7313 -4.6519 -4.6519 -4.4960 -4.4960 -4.4139 -4.4139 -3.5678 -3.5678 -3.3767 -3.3767 -1.7415 -1.7415 -1.0217 -1.0217 1.8611 1.8611 2.6222 2.6222 2.7088 2.7088 3.4442 3.4442 4.4634 4.4634 5.1742 5.1742 5.9976 5.9976 6.0810 6.0810 6.7519 6.7519 7.0434 7.0434 7.1420 7.1420 7.4792 7.4792 8.2613 8.2613 8.9653 8.9653 9.1410 9.1410 10.0198 10.0198 10.4237 10.4237 k = 0.0500 0.0328-0.0250 ( 5215 PWs) bands (ev): -19.7564 -19.7564 -19.7022 -19.7022 -6.5465 -6.5465 -6.4009 -6.4009 -6.1265 -6.1265 -4.7391 -4.7391 -4.6512 -4.6512 -4.4950 -4.4950 -4.4040 -4.4040 -3.5647 -3.5647 -3.3810 -3.3810 -1.7407 -1.7407 -1.0198 -1.0198 1.8604 1.8604 2.6301 2.6301 2.7079 2.7079 3.4423 3.4423 4.4644 4.4644 5.1695 5.1695 5.9902 5.9902 6.0664 6.0664 6.7394 6.7394 7.0359 7.0359 7.1382 7.1382 7.4683 7.4683 8.2488 8.2488 8.9918 8.9918 9.1717 9.1717 10.0157 10.0157 10.4146 10.4146 k = 0.0667 0.0437-0.0334 ( 5221 PWs) bands (ev): -19.7561 -19.7561 -19.7024 -19.7024 -6.5460 -6.5460 -6.4095 -6.4095 -6.1204 -6.1204 -4.7487 -4.7487 -4.6515 -4.6515 -4.4921 -4.4921 -4.3918 -4.3918 -3.5606 -3.5606 -3.3869 -3.3869 -1.7395 -1.7395 -1.0173 -1.0173 1.8595 1.8595 2.6406 2.6406 2.7065 2.7065 3.4398 3.4398 4.4657 4.4657 5.1628 5.1628 5.9796 5.9796 6.0465 6.0465 6.7229 6.7229 7.0252 7.0252 7.1328 7.1328 7.4531 7.4531 8.2344 8.2344 9.0262 9.0262 9.2130 9.2130 10.0100 10.0100 10.4020 10.4020 k = 0.0833 0.0547-0.0417 ( 5223 PWs) bands (ev): -19.7558 -19.7558 -19.7028 -19.7028 -6.5453 -6.5453 -6.4199 -6.4199 -6.1132 -6.1132 -4.7596 -4.7596 -4.6527 -4.6527 -4.4870 -4.4870 -4.3781 -4.3781 -3.5555 -3.5555 -3.3940 -3.3940 -1.7381 -1.7381 -1.0140 -1.0140 1.8588 1.8588 2.6533 2.6533 2.7047 2.7047 3.4372 3.4372 4.4674 4.4674 5.1544 5.1544 5.9659 5.9659 6.0219 6.0219 6.7033 6.7033 7.0113 7.0113 7.1259 7.1259 7.4336 7.4336 8.2199 8.2199 9.0667 9.0667 9.2636 9.2636 10.0026 10.0026 10.3860 10.3860 k = 0.1000 0.0656-0.0500 ( 5215 PWs) bands (ev): -19.7553 -19.7553 -19.7032 -19.7032 -6.5444 -6.5444 -6.4318 -6.4318 -6.1050 -6.1050 -4.7713 -4.7713 -4.6548 -4.6548 -4.4801 -4.4801 -4.3634 -4.3634 -3.5499 -3.5499 -3.4020 -3.4020 -1.7366 -1.7366 -1.0100 -1.0100 1.8583 1.8583 2.6676 2.6676 2.7025 2.7025 3.4349 3.4349 4.4694 4.4694 5.1442 5.1442 5.9484 5.9484 5.9939 5.9939 6.6814 6.6814 6.9940 6.9940 7.1176 7.1176 7.4101 7.4101 8.2072 8.2072 9.1116 9.1116 9.3217 9.3217 9.9932 9.9932 10.3671 10.3671 k = 0.1167 0.0765-0.0584 ( 5219 PWs) bands (ev): -19.7549 -19.7549 -19.7036 -19.7036 -6.5435 -6.5435 -6.4448 -6.4448 -6.0962 -6.0962 -4.7836 -4.7836 -4.6573 -4.6573 -4.4716 -4.4716 -4.3481 -4.3481 -3.5443 -3.5443 -3.4103 -3.4103 -1.7349 -1.7349 -1.0054 -1.0054 1.8584 1.8584 2.6826 2.6826 2.6999 2.6999 3.4333 3.4333 4.4716 4.4716 5.1323 5.1323 5.9256 5.9256 5.9648 5.9648 6.6578 6.6578 6.9733 6.9733 7.1080 7.1080 7.3830 7.3830 8.1976 8.1976 9.1592 9.1592 9.3854 9.3854 9.9812 9.9812 10.3455 10.3455 k = 0.1333 0.0875-0.0667 ( 5230 PWs) bands (ev): -19.7543 -19.7543 -19.7042 -19.7042 -6.5426 -6.5426 -6.4587 -6.4587 -6.0869 -6.0869 -4.7964 -4.7964 -4.6597 -4.6597 -4.4620 -4.4620 -4.3326 -4.3326 -3.5393 -3.5393 -3.4180 -3.4180 -1.7331 -1.7331 -1.0002 -1.0002 1.8593 1.8593 2.6956 2.6956 2.6990 2.6990 3.4329 3.4329 4.4741 4.4741 5.1188 5.1188 5.8958 5.8958 5.9373 5.9373 6.6334 6.6334 6.9490 6.9490 7.0972 7.0972 7.3532 7.3532 8.1921 8.1921 9.2081 9.2081 9.4527 9.4527 9.9661 9.9661 10.3218 10.3218 k = 0.1500 0.0984-0.0750 ( 5232 PWs) bands (ev): -19.7537 -19.7537 -19.7048 -19.7048 -6.5416 -6.5416 -6.4731 -6.4731 -6.0774 -6.0774 -4.8094 -4.8094 -4.6617 -4.6617 -4.4517 -4.4517 -4.3172 -4.3172 -3.5360 -3.5360 -3.4239 -3.4239 -1.7314 -1.7314 -0.9943 -0.9943 1.8611 1.8611 2.6928 2.6928 2.7127 2.7127 3.4345 3.4345 4.4767 4.4767 5.1038 5.1038 5.8592 5.8592 5.9121 5.9121 6.6085 6.6085 6.9209 6.9209 7.0853 7.0853 7.3214 7.3214 8.1910 8.1910 9.2564 9.2564 9.5214 9.5214 9.9475 9.9475 10.2965 10.2965 k = 0.1667 0.1093-0.0834 ( 5236 PWs) bands (ev): -19.7530 -19.7530 -19.7055 -19.7055 -6.5407 -6.5407 -6.4879 -6.4879 -6.0677 -6.0677 -4.8227 -4.8227 -4.6629 -4.6629 -4.4412 -4.4412 -4.3021 -4.3021 -3.5355 -3.5355 -3.4269 -3.4269 -1.7298 -1.7298 -0.9880 -0.9880 1.8640 1.8640 2.6887 2.6887 2.7257 2.7257 3.4386 3.4386 4.4793 4.4793 5.0875 5.0875 5.8184 5.8184 5.8878 5.8878 6.5836 6.5836 6.8891 6.8891 7.0725 7.0725 7.2887 7.2887 8.1947 8.1947 9.3023 9.3023 9.5894 9.5894 9.9257 9.9257 10.2700 10.2700 k = 0.1833 0.1203-0.0917 ( 5244 PWs) bands (ev): -19.7523 -19.7523 -19.7062 -19.7062 -6.5401 -6.5401 -6.5025 -6.5025 -6.0580 -6.0580 -4.8359 -4.8359 -4.6630 -4.6630 -4.4308 -4.4308 -4.2875 -4.2875 -3.5388 -3.5388 -3.4258 -3.4258 -1.7283 -1.7283 -0.9811 -0.9811 1.8681 1.8681 2.6840 2.6840 2.7366 2.7366 3.4458 3.4458 4.4819 4.4819 5.0699 5.0699 5.7753 5.7753 5.8633 5.8633 6.5590 6.5590 6.8535 6.8535 7.0589 7.0589 7.2561 7.2561 8.2030 8.2030 9.3436 9.3436 9.6543 9.6543 9.9019 9.9019 10.2429 10.2429 k = 0.2000 0.1312-0.1001 ( 5247 PWs) bands (ev): -19.7515 -19.7515 -19.7070 -19.7070 -6.5403 -6.5403 -6.5165 -6.5165 -6.0483 -6.0483 -4.8492 -4.8492 -4.6619 -4.6619 -4.4206 -4.4206 -4.2739 -4.2739 -3.5457 -3.5457 -3.4207 -3.4207 -1.7270 -1.7270 -0.9738 -0.9738 1.8735 1.8735 2.6789 2.6789 2.7447 2.7447 3.4565 3.4565 4.4843 4.4843 5.0512 5.0512 5.7312 5.7312 5.8385 5.8385 6.5348 6.5348 6.8144 6.8144 7.0446 7.0446 7.2247 7.2247 8.2160 8.2160 9.3772 9.3772 9.7142 9.7142 9.8785 9.8785 10.2155 10.2155 k = 0.2167 0.1421-0.1084 ( 5261 PWs) bands (ev): -19.7506 -19.7506 -19.7079 -19.7079 -6.5437 -6.5437 -6.5271 -6.5271 -6.0386 -6.0386 -4.8622 -4.8622 -4.6595 -4.6595 -4.4108 -4.4108 -4.2615 -4.2615 -3.5553 -3.5553 -3.4122 -3.4122 -1.7260 -1.7260 -0.9661 -0.9661 1.8804 1.8804 2.6732 2.6732 2.7494 2.7494 3.4711 3.4711 4.4865 4.4865 5.0317 5.0317 5.6872 5.6872 5.8134 5.8134 6.5113 6.5113 6.7722 6.7722 7.0299 7.0299 7.1953 7.1953 8.2332 8.2332 9.3996 9.3996 9.7673 9.7673 9.8589 9.8589 10.1883 10.1883 k = 0.2333 0.1531-0.1167 ( 5265 PWs) bands (ev): -19.7497 -19.7497 -19.7088 -19.7088 -6.5536 -6.5536 -6.5311 -6.5311 -6.0292 -6.0292 -4.8750 -4.8750 -4.6557 -4.6557 -4.4016 -4.4016 -4.2506 -4.2506 -3.5664 -3.5664 -3.4014 -3.4014 -1.7253 -1.7253 -0.9582 -0.9582 1.8886 1.8886 2.6671 2.6671 2.7507 2.7507 3.4896 3.4896 4.4882 4.4882 5.0114 5.0114 5.6438 5.6438 5.7881 5.7881 6.4886 6.4886 6.7272 6.7272 7.0149 7.0149 7.1686 7.1686 8.2544 8.2544 9.4071 9.4071 9.8114 9.8114 9.8477 9.8477 10.1615 10.1615 k = 0.2500 0.1640-0.1251 ( 5261 PWs) bands (ev): -19.7487 -19.7487 -19.7097 -19.7097 -6.5667 -6.5667 -6.5316 -6.5316 -6.0199 -6.0199 -4.8875 -4.8875 -4.6506 -4.6506 -4.3931 -4.3931 -4.2416 -4.2416 -3.5782 -3.5782 -3.3889 -3.3889 -1.7249 -1.7249 -0.9500 -0.9500 1.8981 1.8981 2.6606 2.6606 2.7484 2.7484 3.5119 3.5119 4.4894 4.4894 4.9907 4.9907 5.6017 5.6017 5.7628 5.7628 6.4668 6.4668 6.6801 6.6801 6.9999 6.9999 7.1450 7.1450 8.2792 8.2792 9.3978 9.3978 9.8359 9.8359 9.8576 9.8576 10.1357 10.1357 k = 0.2667 0.1749-0.1334 ( 5253 PWs) bands (ev): -19.7476 -19.7476 -19.7107 -19.7107 -6.5803 -6.5803 -6.5312 -6.5312 -6.0109 -6.0109 -4.8996 -4.8996 -4.6440 -4.6440 -4.3852 -4.3852 -4.2347 -4.2347 -3.5897 -3.5897 -3.3756 -3.3756 -1.7248 -1.7248 -0.9416 -0.9416 1.9090 1.9090 2.6536 2.6536 2.7427 2.7427 3.5377 3.5377 4.4898 4.4898 4.9698 4.9698 5.5613 5.5613 5.7378 5.7378 6.4460 6.4460 6.6317 6.6317 6.9849 6.9849 7.1249 7.1249 8.3073 8.3073 9.3722 9.3722 9.8447 9.8447 9.8842 9.8842 10.1109 10.1109 k = 0.2833 0.1858-0.1417 ( 5257 PWs) bands (ev): -19.7466 -19.7466 -19.7118 -19.7118 -6.5936 -6.5936 -6.5306 -6.5306 -6.0022 -6.0022 -4.9111 -4.9111 -4.6360 -4.6360 -4.3780 -4.3780 -4.2302 -4.2302 -3.6005 -3.6005 -3.3618 -3.3618 -1.7250 -1.7250 -0.9332 -0.9332 1.9212 1.9212 2.6464 2.6464 2.7341 2.7341 3.5665 3.5665 4.4893 4.4893 4.9488 4.9488 5.5231 5.5231 5.7133 5.7133 6.4262 6.4262 6.5827 6.5827 6.9701 6.9701 7.1084 7.1084 8.3381 8.3381 9.3337 9.3337 9.8569 9.8569 9.9061 9.9061 10.0875 10.0875 k = 0.3000 0.1968-0.1501 ( 5267 PWs) bands (ev): -19.7454 -19.7454 -19.7129 -19.7129 -6.6063 -6.6063 -6.5300 -6.5300 -5.9939 -5.9939 -4.9221 -4.9221 -4.6267 -4.6267 -4.3715 -4.3715 -4.2284 -4.2284 -3.6102 -3.6102 -3.3478 -3.3478 -1.7255 -1.7255 -0.9248 -0.9248 1.9344 1.9344 2.6389 2.6389 2.7228 2.7228 3.5978 3.5978 4.4878 4.4878 4.9282 4.9282 5.4872 5.4872 5.6895 5.6895 6.4075 6.4075 6.5339 6.5339 6.9558 6.9558 7.0957 7.0957 8.3712 8.3712 9.2861 9.2861 9.8714 9.8714 9.9222 9.9222 10.0656 10.0657 k = 0.3167 0.2077-0.1584 ( 5269 PWs) bands (ev): -19.7443 -19.7443 -19.7141 -19.7141 -6.6184 -6.6184 -6.5294 -6.5294 -5.9859 -5.9859 -4.9324 -4.9324 -4.6161 -4.6161 -4.3658 -4.3658 -4.2292 -4.2292 -3.6184 -3.6184 -3.3341 -3.3341 -1.7262 -1.7262 -0.9166 -0.9166 1.9485 1.9485 2.6313 2.6313 2.7095 2.7095 3.6309 3.6309 4.4852 4.4852 4.9082 4.9082 5.4539 5.4539 5.6668 5.6668 6.3901 6.3901 6.4860 6.4860 6.9420 6.9420 7.0867 7.0867 8.4059 8.4059 9.2331 9.2331 9.8854 9.8854 9.9333 9.9333 10.0457 10.0457 k = 0.3333 0.2186-0.1668 ( 5276 PWs) bands (ev): -19.7431 -19.7431 -19.7153 -19.7153 -6.6297 -6.6297 -6.5289 -6.5289 -5.9784 -5.9784 -4.9420 -4.9420 -4.6042 -4.6042 -4.3609 -4.3609 -4.2327 -4.2327 -3.6251 -3.6251 -3.3207 -3.3207 -1.7272 -1.7272 -0.9086 -0.9086 1.9634 1.9634 2.6236 2.6236 2.6945 2.6945 3.6651 3.6651 4.4813 4.4813 4.8890 4.8890 5.4233 5.4233 5.6453 5.6453 6.3739 6.3739 6.4397 6.4397 6.9289 6.9289 7.0813 7.0813 8.4416 8.4416 9.1775 9.1775 9.8964 9.8964 9.9404 9.9404 10.0278 10.0278 k = 0.3500 0.2296-0.1751 ( 5286 PWs) bands (ev): -19.7419 -19.7419 -19.7165 -19.7165 -6.6402 -6.6402 -6.5284 -6.5284 -5.9714 -5.9714 -4.9509 -4.9509 -4.5911 -4.5911 -4.3568 -4.3568 -4.2388 -4.2388 -3.6302 -3.6302 -3.3080 -3.3080 -1.7284 -1.7284 -0.9010 -0.9010 1.9788 1.9788 2.6161 2.6161 2.6785 2.6785 3.6998 3.6998 4.4762 4.4762 4.8709 4.8709 5.3955 5.3955 5.6252 5.6252 6.3590 6.3590 6.3958 6.3958 6.9167 6.9167 7.0793 7.0793 8.4771 8.4771 9.1221 9.1221 9.9029 9.9029 9.9443 9.9443 10.0122 10.0122 k = 0.3667 0.2405-0.1834 ( 5280 PWs) bands (ev): -19.7406 -19.7406 -19.7177 -19.7177 -6.6497 -6.6497 -6.5280 -6.5280 -5.9650 -5.9650 -4.9589 -4.9589 -4.5770 -4.5770 -4.3537 -4.3537 -4.2470 -4.2470 -3.6339 -3.6339 -3.2961 -3.2961 -1.7297 -1.7297 -0.8938 -0.8938 1.9943 1.9943 2.6089 2.6089 2.6620 2.6620 3.7343 3.7343 4.4699 4.4699 4.8541 4.8541 5.3706 5.3706 5.6067 5.6067 6.3449 6.3449 6.3553 6.3553 6.9054 6.9054 7.0804 7.0804 8.5114 8.5114 9.0693 9.0693 9.9039 9.9039 9.9457 9.9457 9.9986 9.9986 k = 0.3833 0.2514-0.1918 ( 5280 PWs) bands (ev): -19.7393 -19.7393 -19.7190 -19.7190 -6.6583 -6.6583 -6.5277 -6.5277 -5.9592 -5.9592 -4.9661 -4.9661 -4.5620 -4.5620 -4.3516 -4.3516 -4.2570 -4.2570 -3.6363 -3.6363 -3.2851 -3.2851 -1.7310 -1.7310 -0.8872 -0.8872 2.0097 2.0097 2.6020 2.6020 2.6454 2.6454 3.7678 3.7678 4.4625 4.4625 4.8388 4.8388 5.3485 5.3485 5.5900 5.5900 6.3162 6.3162 6.3343 6.3343 6.8951 6.8951 7.0842 7.0842 8.5425 8.5425 9.0218 9.0218 9.8993 9.8993 9.9452 9.9452 9.9865 9.9865 k = 0.4000 0.2624-0.2001 ( 5277 PWs) bands (ev): -19.7380 -19.7380 -19.7202 -19.7202 -6.6658 -6.6658 -6.5274 -6.5274 -5.9540 -5.9540 -4.9725 -4.9725 -4.5463 -4.5463 -4.3508 -4.3508 -4.2681 -4.2681 -3.6377 -3.6377 -3.2754 -3.2754 -1.7323 -1.7323 -0.8812 -0.8812 2.0245 2.0245 2.5957 2.5957 2.6294 2.6294 3.7996 3.7996 4.4543 4.4543 4.8253 4.8253 5.3294 5.3294 5.5752 5.5752 6.2827 6.2827 6.3235 6.3235 6.8860 6.8860 7.0899 7.0899 8.5685 8.5685 8.9823 8.9823 9.8896 9.8896 9.9433 9.9433 9.9749 9.9749 k = 0.4167 0.2733-0.2084 ( 5277 PWs) bands (ev): -19.7368 -19.7368 -19.7215 -19.7215 -6.6722 -6.6722 -6.5271 -6.5271 -5.9496 -5.9496 -4.9779 -4.9779 -4.5301 -4.5301 -4.3519 -4.3519 -4.2792 -4.2792 -3.6383 -3.6383 -3.2668 -3.2668 -1.7336 -1.7336 -0.8760 -0.8760 2.0383 2.0383 2.5901 2.5901 2.6144 2.6144 3.8289 3.8289 4.4458 4.4458 4.8136 4.8136 5.3133 5.3133 5.5625 5.5625 6.2534 6.2534 6.3145 6.3145 6.8781 6.8781 7.0968 7.0968 8.5870 8.5870 8.9532 8.9532 9.8755 9.8755 9.9408 9.9408 9.9637 9.9637 k = 0.4333 0.2842-0.2168 ( 5281 PWs) bands (ev): -19.7355 -19.7355 -19.7228 -19.7228 -6.6775 -6.6775 -6.5270 -6.5270 -5.9458 -5.9458 -4.9824 -4.9824 -4.5138 -4.5138 -4.3552 -4.3552 -4.2892 -4.2892 -3.6383 -3.6383 -3.2597 -3.2597 -1.7347 -1.7347 -0.8716 -0.8716 2.0505 2.0505 2.5853 2.5853 2.6011 2.6011 3.8547 3.8547 4.4374 4.4374 4.8039 4.8039 5.3000 5.3000 5.5520 5.5520 6.2288 6.2288 6.3072 6.3072 6.8715 6.8715 7.1042 7.1042 8.5970 8.5970 8.9359 8.9359 9.8582 9.8582 9.9381 9.9381 9.9533 9.9533 k = 0.4500 0.2952-0.2251 ( 5283 PWs) bands (ev): -19.7343 -19.7343 -19.7240 -19.7240 -6.6817 -6.6817 -6.5268 -6.5268 -5.9429 -5.9429 -4.9859 -4.9859 -4.4981 -4.4981 -4.3610 -4.3610 -4.2970 -4.2970 -3.6381 -3.6381 -3.2541 -3.2541 -1.7356 -1.7356 -0.8681 -0.8681 2.0608 2.0608 2.5814 2.5814 2.5900 2.5900 3.8761 3.8761 4.4298 4.4298 4.7962 4.7962 5.2897 5.2897 5.5437 5.5437 6.2093 6.2093 6.3014 6.3014 6.8664 6.8664 7.1111 7.1111 8.5994 8.5994 8.9290 8.9290 9.8397 9.8397 9.9358 9.9358 9.9447 9.9447 k = 0.4667 0.3061-0.2335 ( 5281 PWs) bands (ev): -19.7332 -19.7332 -19.7251 -19.7251 -6.6846 -6.6846 -6.5268 -6.5268 -5.9408 -5.9408 -4.9884 -4.9884 -4.4842 -4.4842 -4.3685 -4.3685 -4.3021 -4.3021 -3.6378 -3.6378 -3.2500 -3.2500 -1.7363 -1.7363 -0.8655 -0.8655 2.0686 2.0686 2.5786 2.5786 2.5816 2.5816 3.8923 3.8923 4.4236 4.4236 4.7907 4.7907 5.2823 5.2823 5.5378 5.5378 6.1951 6.1951 6.2973 6.2973 6.8626 6.8626 7.1168 7.1168 8.5973 8.5973 8.9287 8.9287 9.8233 9.8233 9.9339 9.9339 9.9385 9.9385 k = 0.4833 0.3170-0.2418 ( 5277 PWs) bands (ev): -19.7324 -19.7324 -19.7259 -19.7259 -6.6864 -6.6864 -6.5267 -6.5267 -5.9395 -5.9395 -4.9899 -4.9899 -4.4739 -4.4739 -4.3753 -4.3753 -4.3049 -4.3049 -3.6376 -3.6376 -3.2475 -3.2475 -1.7368 -1.7368 -0.8640 -0.8640 2.0735 2.0735 2.5763 2.5763 2.5769 2.5769 3.9024 3.9024 4.4196 4.4196 4.7874 4.7874 5.2779 5.2779 5.5342 5.5342 6.1866 6.1866 6.2948 6.2948 6.8604 6.8604 7.1205 7.1205 8.5943 8.5943 8.9308 8.9308 9.8118 9.8118 9.9328 9.9328 9.9346 9.9346 k = 0.5000 0.3280-0.2501 ( 5276 PWs) bands (ev): -19.7320 -19.7320 -19.7262 -19.7262 -6.6870 -6.6870 -6.5267 -6.5267 -5.9391 -5.9391 -4.9904 -4.9904 -4.4700 -4.4700 -4.3782 -4.3782 -4.3057 -4.3057 -3.6375 -3.6375 -3.2467 -3.2467 -1.7369 -1.7369 -0.8635 -0.8635 2.0751 2.0751 2.5745 2.5745 2.5763 2.5763 3.9058 3.9058 4.4182 4.4182 4.7863 4.7863 5.2764 5.2764 5.5330 5.5330 6.1837 6.1837 6.2940 6.2940 6.8596 6.8596 7.1218 7.1218 8.5930 8.5930 8.9319 8.9319 9.8077 9.8077 9.9327 9.9327 9.9331 9.9331 k = 0.5000 0.3280-0.2501 ( 5276 PWs) bands (ev): -19.7320 -19.7320 -19.7262 -19.7262 -6.6870 -6.6870 -6.5267 -6.5267 -5.9391 -5.9391 -4.9904 -4.9904 -4.4700 -4.4700 -4.3782 -4.3782 -4.3057 -4.3057 -3.6375 -3.6375 -3.2467 -3.2467 -1.7369 -1.7369 -0.8635 -0.8635 2.0751 2.0751 2.5745 2.5745 2.5763 2.5763 3.9058 3.9058 4.4182 4.4182 4.7863 4.7863 5.2764 5.2764 5.5330 5.5330 6.1837 6.1837 6.2940 6.2940 6.8596 6.8596 7.1218 7.1218 8.5930 8.5930 8.9319 8.9319 9.8077 9.8077 9.9327 9.9327 9.9331 9.9331 k = 0.5071 0.3326-0.2300 ( 5277 PWs) bands (ev): -19.7321 -19.7321 -19.7262 -19.7262 -6.6866 -6.6866 -6.5267 -6.5267 -5.9388 -5.9388 -4.9903 -4.9903 -4.4725 -4.4725 -4.3776 -4.3776 -4.3055 -4.3055 -3.6375 -3.6375 -3.2471 -3.2471 -1.7354 -1.7354 -0.8647 -0.8647 2.0664 2.0664 2.5770 2.5770 2.5835 2.5835 3.8967 3.8967 4.4288 4.4288 4.7782 4.7782 5.2828 5.2828 5.5325 5.5325 6.1836 6.1836 6.2932 6.2932 6.8616 6.8616 7.1211 7.1211 8.5943 8.5943 8.9361 8.9361 9.8065 9.8065 9.9125 9.9125 9.9594 9.9594 k = 0.5141 0.3372-0.2098 ( 5280 PWs) bands (ev): -19.7321 -19.7321 -19.7260 -19.7260 -6.6854 -6.6854 -6.5266 -6.5266 -5.9380 -5.9380 -4.9900 -4.9900 -4.4798 -4.4798 -4.3760 -4.3760 -4.3047 -4.3047 -3.6375 -3.6375 -3.2483 -3.2483 -1.7307 -1.7307 -0.8683 -0.8683 2.0418 2.0418 2.5796 2.5796 2.6083 2.6083 3.8714 3.8714 4.4585 4.4585 4.7555 4.7555 5.3006 5.3006 5.5309 5.5309 6.1833 6.1833 6.2911 6.2911 6.8675 6.8675 7.1191 7.1191 8.5983 8.5983 8.9488 8.9488 9.8026 9.8026 9.8983 9.8983 9.9916 9.9916 k = 0.5212 0.3419-0.1896 ( 5284 PWs) bands (ev): -19.7322 -19.7322 -19.7257 -19.7257 -6.6834 -6.6834 -6.5265 -6.5265 -5.9366 -5.9366 -4.9895 -4.9895 -4.4910 -4.4910 -4.3741 -4.3741 -4.3035 -4.3035 -3.6375 -3.6375 -3.2504 -3.2504 -1.7230 -1.7230 -0.8742 -0.8742 2.0052 2.0052 2.5838 2.5838 2.6451 2.6451 3.8350 3.8350 4.5024 4.5024 4.7211 4.7211 5.3264 5.3264 5.5285 5.5285 6.1828 6.1828 6.2877 6.2877 6.8773 6.8773 7.1157 7.1157 8.6053 8.6053 8.9692 8.9692 9.7958 9.7958 9.8906 9.8906 10.0289 10.0289 k = 0.5282 0.3465-0.1695 ( 5284 PWs) bands (ev): -19.7324 -19.7324 -19.7253 -19.7253 -6.6807 -6.6807 -6.5263 -6.5263 -5.9346 -5.9346 -4.9888 -4.9888 -4.5051 -4.5051 -4.3727 -4.3727 -4.3019 -4.3019 -3.6376 -3.6376 -3.2533 -3.2533 -1.7123 -1.7123 -0.8825 -0.8825 1.9605 1.9605 2.5897 2.5897 2.6899 2.6899 3.7922 3.7922 4.5553 4.5553 4.6788 4.6788 5.3569 5.3569 5.5255 5.5255 6.1820 6.1820 6.2834 6.2834 6.8909 6.8909 7.1110 7.1110 8.6159 8.6159 8.9967 8.9967 9.7856 9.7856 9.8899 9.8899 10.0707 10.0707 k = 0.5353 0.3511-0.1493 ( 5291 PWs) bands (ev): -19.7325 -19.7325 -19.7249 -19.7249 -6.6772 -6.6772 -6.5261 -6.5261 -5.9319 -5.9319 -4.9880 -4.9880 -4.5215 -4.5215 -4.3721 -4.3721 -4.3001 -4.3001 -3.6381 -3.6381 -3.2570 -3.2570 -1.6985 -1.6985 -0.8930 -0.8930 1.9104 1.9104 2.5973 2.5973 2.7395 2.7395 3.7468 3.7468 4.6100 4.6100 4.6348 4.6348 5.3890 5.3890 5.5222 5.5222 6.1809 6.1809 6.2785 6.2785 6.9080 6.9080 7.1047 7.1047 8.6303 8.6303 9.0304 9.0304 9.7716 9.7716 9.8968 9.8968 10.1162 10.1162 k = 0.5423 0.3557-0.1291 ( 5285 PWs) bands (ev): -19.7327 -19.7327 -19.7244 -19.7244 -6.6731 -6.6731 -6.5258 -6.5258 -5.9285 -5.9285 -4.9872 -4.9872 -4.5394 -4.5394 -4.3724 -4.3724 -4.2982 -4.2982 -3.6391 -3.6391 -3.2615 -3.2615 -1.6817 -1.6817 -0.9057 -0.9057 1.8570 1.8570 2.6064 2.6064 2.7915 2.7915 3.7013 3.7013 4.5773 4.5773 4.6777 4.6777 5.4207 5.4207 5.5193 5.5193 6.1794 6.1794 6.2733 6.2733 6.9285 6.9285 7.0971 7.0971 8.6489 8.6489 9.0692 9.0692 9.7540 9.7540 9.9118 9.9118 10.1645 10.1645 k = 0.5494 0.3604-0.1090 ( 5273 PWs) bands (ev): -19.7328 -19.7328 -19.7238 -19.7238 -6.6683 -6.6683 -6.5256 -6.5256 -5.9243 -5.9243 -4.9864 -4.9864 -4.5585 -4.5585 -4.3737 -4.3737 -4.2963 -4.2963 -3.6408 -3.6408 -3.2668 -3.2668 -1.6620 -1.6620 -0.9204 -0.9204 1.8013 1.8013 2.6172 2.6172 2.8441 2.8441 3.6576 3.6576 4.5242 4.5242 4.7400 4.7400 5.4501 5.4501 5.5173 5.5173 6.1773 6.1773 6.2681 6.2681 6.9523 6.9523 7.0881 7.0881 8.6722 8.6722 9.1121 9.1121 9.7341 9.7341 9.9349 9.9349 10.2150 10.2150 k = 0.5564 0.3650-0.0888 ( 5277 PWs) bands (ev): -19.7330 -19.7330 -19.7232 -19.7232 -6.6631 -6.6631 -6.5253 -6.5253 -5.9193 -5.9193 -4.9858 -4.9858 -4.5782 -4.5782 -4.3759 -4.3759 -4.2946 -4.2946 -3.6433 -3.6433 -3.2728 -3.2728 -1.6394 -1.6394 -0.9369 -0.9369 1.7443 1.7443 2.6294 2.6294 2.8958 2.8958 3.6174 3.6174 4.4697 4.4697 4.8021 4.8021 5.4762 5.4762 5.5173 5.5173 6.1745 6.1745 6.2633 6.2633 6.9788 6.9788 7.0779 7.0779 8.7000 8.7000 9.1583 9.1583 9.7133 9.7133 9.9657 9.9657 10.2666 10.2666 k = 0.5635 0.3696-0.0686 ( 5266 PWs) bands (ev): -19.7331 -19.7331 -19.7225 -19.7225 -6.6573 -6.6573 -6.5251 -6.5251 -5.9133 -5.9133 -4.9855 -4.9855 -4.5982 -4.5982 -4.3789 -4.3789 -4.2932 -4.2932 -3.6468 -3.6468 -3.2797 -3.2797 -1.6139 -1.6139 -0.9553 -0.9553 1.6864 1.6864 2.6432 2.6432 2.9452 2.9452 3.5820 3.5820 4.4150 4.4150 4.8622 4.8622 5.4976 5.4976 5.5207 5.5207 6.1706 6.1706 6.2591 6.2591 7.0075 7.0075 7.0672 7.0672 8.7327 8.7327 9.2066 9.2066 9.6935 9.6935 10.0038 10.0038 10.3188 10.3188 k = 0.5705 0.3742-0.0485 ( 5272 PWs) bands (ev): -19.7332 -19.7332 -19.7218 -19.7218 -6.6513 -6.6513 -6.5249 -6.5249 -5.9062 -5.9062 -4.9856 -4.9856 -4.6181 -4.6181 -4.3827 -4.3827 -4.2920 -4.2920 -3.6516 -3.6516 -3.2872 -3.2872 -1.5858 -1.5858 -0.9752 -0.9752 1.6279 1.6279 2.6584 2.6584 2.9907 2.9907 3.5529 3.5529 4.3605 4.3605 4.9191 4.9191 5.5133 5.5133 5.5292 5.5292 6.1652 6.1652 6.2558 6.2558 7.0339 7.0339 7.0604 7.0604 8.7699 8.7699 9.2560 9.2560 9.6761 9.6761 10.0485 10.0485 10.3708 10.3708 k = 0.5776 0.3789-0.0283 ( 5268 PWs) bands (ev): -19.7334 -19.7334 -19.7210 -19.7210 -6.6449 -6.6449 -6.5247 -6.5247 -5.8980 -5.8980 -4.9865 -4.9865 -4.6374 -4.6374 -4.3871 -4.3871 -4.2912 -4.2912 -3.6577 -3.6577 -3.2955 -3.2955 -1.5549 -1.5549 -0.9966 -0.9966 1.5689 1.5689 2.6750 2.6750 3.0308 3.0308 3.5315 3.5315 4.3067 4.3067 4.9717 4.9717 5.5262 5.5262 5.5405 5.5405 6.1581 6.1581 6.2536 6.2536 7.0351 7.0351 7.0805 7.0805 8.8116 8.8116 9.3056 9.3056 9.6624 9.6624 10.0988 10.0988 10.4223 10.4223 k = 0.5847 0.3835-0.0081 ( 5269 PWs) bands (ev): -19.7335 -19.7335 -19.7202 -19.7202 -6.6384 -6.6384 -6.5246 -6.5246 -5.8885 -5.8885 -4.9884 -4.9884 -4.6558 -4.6558 -4.3921 -4.3921 -4.2907 -4.2907 -3.6652 -3.6652 -3.3045 -3.3045 -1.5215 -1.5215 -1.0193 -1.0193 1.5098 1.5098 2.6929 2.6929 3.0640 3.0640 3.5192 3.5192 4.2540 4.2540 5.0190 5.0190 5.5404 5.5404 5.5516 5.5516 6.1485 6.1485 6.2527 6.2527 7.0241 7.0241 7.1145 7.1145 8.8575 8.8575 9.3540 9.3540 9.6538 9.6538 10.1534 10.1534 10.4732 10.4732 k = 0.5917 0.3881 0.0121 ( 5275 PWs) bands (ev): -19.7336 -19.7336 -19.7194 -19.7194 -6.6319 -6.6319 -6.5246 -6.5246 -5.8776 -5.8776 -4.9914 -4.9914 -4.6727 -4.6727 -4.3976 -4.3976 -4.2905 -4.2905 -3.6742 -3.6742 -3.3141 -3.3141 -1.4858 -1.4858 -1.0430 -1.0430 1.4505 1.4505 2.7121 2.7121 3.0892 3.0892 3.5167 3.5167 4.2027 4.2027 5.0605 5.0605 5.5512 5.5512 5.5675 5.5675 6.1361 6.1361 6.2532 6.2532 7.0125 7.0125 7.1508 7.1508 8.9070 8.9070 9.4000 9.4000 9.6511 9.6511 10.2105 10.2105 10.5242 10.5242 k = 0.5988 0.3928 0.0322 ( 5270 PWs) bands (ev): -19.7337 -19.7337 -19.7186 -19.7186 -6.6254 -6.6254 -6.5247 -6.5247 -5.8652 -5.8652 -4.9961 -4.9961 -4.6879 -4.6879 -4.4034 -4.4034 -4.2906 -4.2906 -3.6848 -3.6848 -3.3244 -3.3244 -1.4477 -1.4477 -1.0677 -1.0677 1.3911 1.3911 2.7324 2.7324 3.1064 3.1064 3.5238 3.5238 4.1531 4.1531 5.0965 5.0965 5.5548 5.5548 5.5923 5.5923 6.1202 6.1202 6.2552 6.2552 7.0019 7.0019 7.1878 7.1878 8.9596 8.9596 9.4424 9.4424 9.6555 9.6555 10.2673 10.2673 10.5767 10.5767 k = 0.6058 0.3974 0.0524 ( 5273 PWs) bands (ev): -19.7338 -19.7338 -19.7178 -19.7178 -6.6190 -6.6190 -6.5248 -6.5248 -5.8511 -5.8511 -5.0026 -5.0026 -4.7010 -4.7010 -4.4096 -4.4096 -4.2909 -4.2909 -3.6970 -3.6970 -3.3352 -3.3352 -1.4075 -1.4075 -1.0930 -1.0930 1.3317 1.3317 2.7538 2.7538 3.1167 3.1167 3.5391 3.5391 4.1053 4.1053 5.1276 5.1276 5.5543 5.5543 5.6225 5.6225 6.1006 6.1006 6.2590 6.2590 6.9933 6.9933 7.2247 7.2247 9.0144 9.0144 9.4799 9.4799 9.6680 9.6680 10.3207 10.3207 10.6328 10.6328 k = 0.6129 0.4020 0.0726 ( 5266 PWs) bands (ev): -19.7339 -19.7339 -19.7169 -19.7169 -6.6129 -6.6129 -6.5251 -6.5251 -5.8353 -5.8353 -5.0112 -5.0112 -4.7116 -4.7116 -4.4161 -4.4161 -4.2915 -4.2915 -3.7107 -3.7107 -3.3465 -3.3465 -1.3654 -1.3654 -1.1188 -1.1188 1.2724 1.2724 2.7761 2.7761 3.1223 3.1223 3.5602 3.5602 4.0595 4.0595 5.1552 5.1552 5.5506 5.5506 5.6561 5.6561 6.0770 6.0770 6.2645 6.2645 6.9871 6.9871 7.2608 7.2608 9.0701 9.0701 9.5123 9.5123 9.6889 9.6889 10.3671 10.3671 10.6948 10.6948 k = 0.6199 0.4066 0.0927 ( 5252 PWs) bands (ev): -19.7340 -19.7340 -19.7161 -19.7161 -6.6070 -6.6070 -6.5254 -6.5254 -5.8177 -5.8177 -5.0219 -5.0219 -4.7196 -4.7196 -4.4227 -4.4227 -4.2924 -4.2924 -3.7260 -3.7260 -3.3584 -3.3584 -1.3215 -1.3215 -1.1449 -1.1449 1.2133 1.2133 2.7993 2.7993 3.1250 3.1250 3.5847 3.5847 4.0159 4.0159 5.1807 5.1807 5.5444 5.5444 5.6909 5.6909 6.0498 6.0498 6.2720 6.2720 6.9838 6.9838 7.2953 7.2953 9.1252 9.1252 9.5407 9.5407 9.7174 9.7174 10.4042 10.4042 10.7644 10.7644 k = 0.6270 0.4113 0.1129 ( 5260 PWs) bands (ev): -19.7341 -19.7341 -19.7152 -19.7152 -6.6016 -6.6016 -6.5259 -6.5259 -5.7982 -5.7982 -5.0348 -5.0348 -4.7251 -4.7251 -4.4295 -4.4295 -4.2934 -4.2934 -3.7427 -3.7427 -3.3707 -3.3707 -1.2761 -1.2761 -1.1710 -1.1710 1.1545 1.1545 2.8232 2.8232 3.1268 3.1268 3.6106 3.6106 3.9747 3.9747 5.2054 5.2054 5.5362 5.5362 5.7247 5.7247 6.0200 6.0200 6.2814 6.2814 6.9834 6.9834 7.3277 7.3277 9.1775 9.1775 9.5675 9.5675 9.7520 9.7520 10.4310 10.4310 10.8408 10.8408 k = 0.6340 0.4159 0.1331 ( 5262 PWs) bands (ev): -19.7343 -19.7343 -19.7143 -19.7143 -6.5967 -6.5967 -6.5264 -6.5264 -5.7768 -5.7768 -5.0497 -5.0497 -4.7282 -4.7282 -4.4363 -4.4363 -4.2946 -4.2946 -3.7607 -3.7607 -3.3834 -3.3834 -1.2298 -1.2298 -1.1965 -1.1965 1.0961 1.0961 2.8476 2.8476 3.1288 3.1288 3.6363 3.6363 3.9361 3.9361 5.2305 5.2305 5.5263 5.5263 5.7539 5.7539 5.9902 5.9902 6.2928 6.2928 6.9859 6.9859 7.3576 7.3576 9.2247 9.2247 9.5950 9.5950 9.7917 9.7917 10.4481 10.4481 10.9071 10.9071 k = 0.6411 0.4205 0.1532 ( 5260 PWs) bands (ev): -19.7344 -19.7344 -19.7135 -19.7135 -6.5922 -6.5922 -6.5270 -6.5270 -5.7534 -5.7534 -5.0665 -5.0665 -4.7291 -4.7291 -4.4431 -4.4431 -4.2959 -4.2959 -3.7800 -3.7800 -3.3964 -3.3964 -1.2241 -1.2241 -1.1800 -1.1800 1.0383 1.0383 2.8724 2.8724 3.1318 3.1318 3.6606 3.6606 3.9001 3.9001 5.2569 5.2569 5.5153 5.5153 5.7725 5.7725 5.9659 5.9659 6.3062 6.3062 6.9907 6.9907 7.3844 7.3844 9.2644 9.2644 9.6244 9.6244 9.8364 9.8364 10.4567 10.4567 10.9461 10.9461 k = 0.6481 0.4251 0.1734 ( 5257 PWs) bands (ev): -19.7346 -19.7346 -19.7126 -19.7126 -6.5883 -6.5883 -6.5276 -6.5276 -5.7279 -5.7279 -5.0848 -5.0848 -4.7281 -4.7281 -4.4500 -4.4500 -4.2973 -4.2973 -3.8004 -3.8004 -3.4097 -3.4097 -1.2490 -1.2490 -1.1314 -1.1314 0.9812 0.9812 2.8974 2.8974 3.1364 3.1364 3.6830 3.6830 3.8671 3.8671 5.2852 5.2852 5.5036 5.5036 5.7716 5.7716 5.9558 5.9558 6.3215 6.3215 6.9974 6.9974 7.4078 7.4078 9.2950 9.2950 9.6558 9.6558 9.8869 9.8869 10.4577 10.4577 10.9703 10.9703 k = 0.6552 0.4298 0.1936 ( 5267 PWs) bands (ev): -19.7347 -19.7347 -19.7118 -19.7118 -6.5850 -6.5850 -6.5283 -6.5283 -5.7006 -5.7006 -5.1043 -5.1043 -4.7256 -4.7256 -4.4568 -4.4568 -4.2988 -4.2988 -3.8218 -3.8218 -3.4232 -3.4232 -1.2737 -1.2737 -1.0818 -1.0818 0.9251 0.9251 2.9223 2.9223 3.1428 3.1428 3.7030 3.7030 3.8372 3.8372 5.3157 5.3157 5.4915 5.4915 5.7477 5.7477 5.9637 5.9637 6.3388 6.3388 7.0054 7.0054 7.4278 7.4278 9.3160 9.3160 9.6877 9.6877 9.9438 9.9438 10.4521 10.4521 10.9790 10.9790 k = 0.6623 0.4344 0.2137 ( 5264 PWs) bands (ev): -19.7349 -19.7349 -19.7109 -19.7109 -6.5821 -6.5821 -6.5289 -6.5289 -5.6713 -5.6713 -5.1248 -5.1248 -4.7219 -4.7219 -4.4635 -4.4635 -4.3003 -4.3003 -3.8440 -3.8440 -3.4369 -3.4369 -1.2977 -1.2977 -1.0319 -1.0319 0.8702 0.8702 2.9469 2.9469 3.1509 3.1509 3.7205 3.7205 3.8107 3.8107 5.3482 5.3482 5.4795 5.4795 5.7076 5.7076 5.9835 5.9835 6.3579 6.3579 7.0139 7.0139 7.4441 7.4441 9.3280 9.3280 9.7185 9.7185 10.0070 10.0070 10.4406 10.4406 10.9741 10.9741 k = 0.6693 0.4390 0.2339 ( 5263 PWs) bands (ev): -19.7352 -19.7352 -19.7101 -19.7101 -6.5799 -6.5799 -6.5295 -6.5295 -5.6402 -5.6402 -5.1461 -5.1461 -4.7172 -4.7172 -4.4701 -4.4701 -4.3019 -4.3019 -3.8669 -3.8669 -3.4506 -3.4506 -1.3206 -1.3206 -0.9819 -0.9819 0.8168 0.8168 2.9708 2.9708 3.1607 3.1607 3.7353 3.7353 3.7879 3.7879 5.3822 5.3822 5.4678 5.4678 5.6591 5.6591 6.0082 6.0082 6.3787 6.3787 7.0222 7.0222 7.4568 7.4568 9.3319 9.3319 9.7472 9.7472 10.0747 10.0747 10.4237 10.4237 10.9606 10.9606 k = 0.6764 0.4437 0.2541 ( 5267 PWs) bands (ev): -19.7354 -19.7354 -19.7093 -19.7093 -6.5781 -6.5781 -6.5301 -6.5301 -5.6074 -5.6074 -5.1677 -5.1677 -4.7118 -4.7118 -4.4766 -4.4766 -4.3033 -4.3033 -3.8903 -3.8903 -3.4642 -3.4642 -1.3425 -1.3425 -0.9322 -0.9322 0.7652 0.7652 2.9937 2.9937 3.1720 3.1720 3.7470 3.7470 3.7700 3.7700 5.4159 5.4159 5.4567 5.4567 5.6081 5.6081 6.0343 6.0343 6.4010 6.4010 7.0298 7.0298 7.4660 7.4660 9.3289 9.3289 9.7736 9.7736 10.1437 10.1437 10.4018 10.4018 10.9454 10.9454 k = 0.6834 0.4483 0.2742 ( 5267 PWs) bands (ev): -19.7357 -19.7357 -19.7086 -19.7086 -6.5767 -6.5767 -6.5306 -6.5306 -5.5733 -5.5733 -5.1895 -5.1895 -4.7060 -4.7060 -4.4830 -4.4830 -4.3047 -4.3047 -3.9140 -3.9140 -3.4778 -3.4778 -1.3631 -1.3631 -0.8835 -0.8835 0.7160 0.7160 3.0151 3.0151 3.1844 3.1844 3.7485 3.7485 3.7643 3.7643 5.4401 5.4401 5.4488 5.4488 5.5633 5.5633 6.0601 6.0601 6.4247 6.4247 7.0360 7.0360 7.4719 7.4719 9.3200 9.3200 9.7981 9.7981 10.2090 10.2090 10.3753 10.3753 10.9354 10.9354 k = 0.6905 0.4529 0.2944 ( 5268 PWs) bands (ev): -19.7359 -19.7359 -19.7078 -19.7078 -6.5758 -6.5758 -6.5310 -6.5310 -5.5382 -5.5382 -5.2108 -5.2108 -4.7000 -4.7000 -4.4893 -4.4893 -4.3060 -4.3060 -3.9380 -3.9380 -3.4912 -3.4912 -1.3822 -1.3822 -0.8360 -0.8360 0.6694 0.6694 3.0347 3.0347 3.1976 3.1976 3.7403 3.7403 3.7713 3.7713 5.4277 5.4277 5.4474 5.4474 5.5496 5.5496 6.0851 6.0851 6.4497 6.4497 7.0404 7.0404 7.4749 7.4749 9.3059 9.3059 9.8213 9.8213 10.2645 10.2645 10.3449 10.3449 10.9380 10.9380 k = 0.6905 0.4529 0.2944 ( 5268 PWs) bands (ev): -19.7359 -19.7359 -19.7078 -19.7078 -6.5758 -6.5758 -6.5310 -6.5310 -5.5382 -5.5382 -5.2108 -5.2108 -4.7000 -4.7000 -4.4893 -4.4893 -4.3060 -4.3060 -3.9380 -3.9380 -3.4912 -3.4912 -1.3822 -1.3822 -0.8360 -0.8360 0.6694 0.6694 3.0347 3.0347 3.1976 3.1976 3.7403 3.7403 3.7713 3.7713 5.4277 5.4277 5.4474 5.4474 5.5496 5.5496 6.0851 6.0851 6.4497 6.4497 7.0404 7.0404 7.4749 7.4749 9.3059 9.3059 9.8213 9.8213 10.2645 10.2645 10.3449 10.3449 10.9380 10.9380 k = 0.6786 0.4451 0.3100 ( 5259 PWs) bands (ev): -19.7369 -19.7369 -19.7066 -19.7066 -6.5784 -6.5784 -6.5330 -6.5330 -5.5254 -5.5254 -5.2195 -5.2195 -4.6984 -4.6984 -4.4966 -4.4966 -4.3023 -4.3023 -3.9370 -3.9370 -3.4844 -3.4844 -1.4021 -1.4021 -0.8169 -0.8169 0.6553 0.6553 3.0518 3.0518 3.1878 3.1878 3.7260 3.7260 3.7621 3.7621 5.4038 5.4038 5.4665 5.4665 5.5245 5.5245 6.1068 6.1068 6.4569 6.4569 7.0440 7.0440 7.4651 7.4651 9.3106 9.3106 9.8929 9.8929 10.2571 10.2571 10.3114 10.3114 10.9883 10.9883 k = 0.6667 0.4373 0.3257 ( 5264 PWs) bands (ev): -19.7379 -19.7379 -19.7055 -19.7055 -6.5811 -6.5811 -6.5350 -6.5350 -5.5129 -5.5129 -5.2273 -5.2273 -4.6974 -4.6974 -4.5027 -4.5027 -4.2995 -4.2995 -3.9362 -3.9362 -3.4777 -3.4777 -1.4218 -1.4218 -0.7986 -0.7986 0.6418 0.6418 3.0684 3.0684 3.1795 3.1795 3.7125 3.7125 3.7537 3.7537 5.3692 5.3692 5.4883 5.4883 5.5102 5.5102 6.1266 6.1266 6.4660 6.4660 7.0446 7.0446 7.4548 7.4548 9.3150 9.3150 9.9665 9.9665 10.1594 10.1594 10.3574 10.3574 11.0371 11.0371 k = 0.6548 0.4295 0.3413 ( 5264 PWs) bands (ev): -19.7388 -19.7388 -19.7045 -19.7045 -6.5836 -6.5836 -6.5369 -6.5369 -5.5007 -5.5007 -5.2344 -5.2344 -4.6970 -4.6970 -4.5076 -4.5076 -4.2974 -4.2974 -3.9355 -3.9355 -3.4713 -3.4713 -1.4413 -1.4413 -0.7810 -0.7810 0.6292 0.6292 3.0846 3.0846 3.1728 3.1728 3.6998 3.6998 3.7461 3.7461 5.3329 5.3329 5.4807 5.4807 5.5300 5.5300 6.1446 6.1446 6.4767 6.4767 7.0421 7.0421 7.4441 7.4441 9.3194 9.3194 10.0408 10.0408 10.0539 10.0539 10.4044 10.4044 11.0844 11.0844 k = 0.6429 0.4217 0.3569 ( 5258 PWs) bands (ev): -19.7396 -19.7396 -19.7035 -19.7035 -6.5861 -6.5861 -6.5388 -6.5388 -5.4888 -5.4888 -5.2408 -5.2408 -4.6973 -4.6973 -4.5112 -4.5112 -4.2961 -4.2961 -3.9350 -3.9350 -3.4651 -3.4651 -1.4604 -1.4604 -0.7643 -0.7643 0.6172 0.6172 3.1000 3.1000 3.1674 3.1674 3.6879 3.6879 3.7392 3.7392 5.2977 5.2977 5.4636 5.4636 5.5614 5.5614 6.1609 6.1609 6.4890 6.4890 7.0368 7.0368 7.4333 7.4333 9.3238 9.3238 9.9440 9.9440 10.1150 10.1150 10.4523 10.4523 11.1299 11.1299 k = 0.6309 0.4139 0.3726 ( 5262 PWs) bands (ev): -19.7404 -19.7404 -19.7025 -19.7025 -6.5885 -6.5885 -6.5406 -6.5406 -5.4772 -5.4772 -5.2466 -5.2466 -4.6983 -4.6983 -4.5136 -4.5136 -4.2956 -4.2956 -3.9345 -3.9345 -3.4592 -3.4592 -1.4787 -1.4787 -0.7486 -0.7486 0.6061 0.6061 3.1145 3.1145 3.1633 3.1633 3.6768 3.6768 3.7333 3.7333 5.2648 5.2648 5.4453 5.4453 5.5950 5.5950 6.1758 6.1758 6.5025 6.5025 7.0291 7.0291 7.4223 7.4223 9.3285 9.3285 9.8333 9.8333 10.1862 10.1862 10.5023 10.5023 11.1740 11.1740 k = 0.6190 0.4061 0.3882 ( 5262 PWs) bands (ev): -19.7411 -19.7411 -19.7017 -19.7017 -6.5908 -6.5908 -6.5423 -6.5423 -5.4661 -5.4661 -5.2519 -5.2519 -4.6997 -4.6997 -4.5149 -4.5149 -4.2957 -4.2957 -3.9341 -3.9341 -3.4537 -3.4537 -1.4962 -1.4962 -0.7338 -0.7338 0.5958 0.5958 3.1281 3.1281 3.1603 3.1603 3.6665 3.6665 3.7281 3.7281 5.2350 5.2350 5.4259 5.4259 5.6295 5.6295 6.1893 6.1893 6.5170 6.5170 7.0194 7.0194 7.4116 7.4116 9.3334 9.3334 9.7238 9.7238 10.2520 10.2520 10.5557 10.5557 11.2168 11.2168 k = 0.6071 0.3982 0.4038 ( 5264 PWs) bands (ev): -19.7417 -19.7417 -19.7009 -19.7009 -6.5929 -6.5929 -6.5439 -6.5439 -5.4554 -5.4554 -5.2568 -5.2568 -4.7016 -4.7016 -4.5151 -4.5151 -4.2965 -4.2965 -3.9338 -3.9338 -3.4485 -3.4485 -1.5127 -1.5127 -0.7201 -0.7201 0.5863 0.5863 3.1403 3.1403 3.1584 3.1584 3.6570 3.6570 3.7238 3.7238 5.2088 5.2088 5.4058 5.4058 5.6642 5.6642 6.2017 6.2017 6.5321 6.5321 7.0081 7.0081 7.4012 7.4012 9.3384 9.3384 9.6177 9.6177 10.3096 10.3096 10.6142 10.6142 11.2584 11.2584 k = 0.5952 0.3904 0.4195 ( 5269 PWs) bands (ev): -19.7423 -19.7423 -19.7002 -19.7002 -6.5950 -6.5950 -6.5454 -6.5454 -5.4452 -5.4452 -5.2612 -5.2612 -4.7037 -4.7037 -4.5146 -4.5146 -4.2978 -4.2978 -3.9335 -3.9335 -3.4437 -3.4437 -1.5279 -1.5279 -0.7076 -0.7076 0.5777 0.5777 3.1499 3.1499 3.1586 3.1586 3.6484 3.6484 3.7203 3.7203 5.1864 5.1864 5.3851 5.3851 5.6983 5.6983 6.2130 6.2130 6.5474 6.5474 6.9957 6.9957 7.3914 7.3914 9.3433 9.3433 9.5169 9.5169 10.3573 10.3573 10.6783 10.6783 11.2987 11.2987 k = 0.5833 0.3826 0.4351 ( 5269 PWs) bands (ev): -19.7429 -19.7429 -19.6996 -19.6996 -6.5968 -6.5968 -6.5467 -6.5467 -5.4357 -5.4357 -5.2653 -5.2653 -4.7059 -4.7059 -4.5135 -4.5135 -4.2994 -4.2994 -3.9333 -3.9333 -3.4393 -3.4393 -1.5418 -1.5418 -0.6963 -0.6963 0.5699 0.5699 3.1530 3.1530 3.1646 3.1646 3.6407 3.6407 3.7176 3.7176 5.1677 5.1677 5.3642 5.3642 5.7312 5.7312 6.2233 6.2233 6.5626 6.5626 6.9830 6.9830 7.3824 7.3824 9.3475 9.3475 9.4233 9.4233 10.3947 10.3947 10.7470 10.7470 11.3329 11.3329 k = 0.5714 0.3748 0.4507 ( 5265 PWs) bands (ev): -19.7433 -19.7433 -19.6990 -19.6990 -6.5984 -6.5984 -6.5479 -6.5479 -5.4270 -5.4270 -5.2691 -5.2691 -4.7082 -4.7082 -4.5120 -4.5120 -4.3013 -4.3013 -3.9331 -3.9331 -3.4355 -3.4355 -1.5541 -1.5541 -0.6863 -0.6863 0.5631 0.5631 3.1530 3.1530 3.1729 3.1729 3.6339 3.6339 3.7155 3.7155 5.1529 5.1529 5.3438 5.3438 5.7619 5.7619 6.2325 6.2325 6.5772 6.5772 6.9703 6.9703 7.3745 7.3745 9.3318 9.3318 9.3578 9.3578 10.4230 10.4230 10.8175 10.8175 11.3495 11.3495 k = 0.5595 0.3670 0.4664 ( 5255 PWs) bands (ev): -19.7437 -19.7437 -19.6985 -19.6985 -6.5998 -6.5998 -6.5489 -6.5489 -5.4192 -5.4192 -5.2725 -5.2725 -4.7103 -4.7103 -4.5102 -4.5102 -4.3032 -4.3032 -3.9329 -3.9329 -3.4321 -3.4321 -1.5648 -1.5648 -0.6777 -0.6777 0.5572 0.5572 3.1528 3.1528 3.1803 3.1803 3.6281 3.6281 3.7140 3.7140 5.1416 5.1416 5.3244 5.3244 5.7897 5.7897 6.2407 6.2407 6.5906 6.5906 6.9584 6.9584 7.3678 7.3678 9.2591 9.2591 9.3588 9.3588 10.4439 10.4439 10.8861 10.8861 11.3612 11.3612 k = 0.5476 0.3592 0.4820 ( 5264 PWs) bands (ev): -19.7441 -19.7441 -19.6982 -19.6982 -6.6010 -6.6010 -6.5497 -6.5497 -5.4124 -5.4124 -5.2755 -5.2755 -4.7122 -4.7122 -4.5085 -4.5085 -4.3051 -4.3051 -3.9328 -3.9328 -3.4294 -3.4294 -1.5737 -1.5737 -0.6706 -0.6706 0.5524 0.5524 3.1527 3.1527 3.1865 3.1865 3.6233 3.6233 3.7130 3.7130 5.1336 5.1336 5.3067 5.3067 5.8137 5.8137 6.2476 6.2476 6.6024 6.6024 6.9477 6.9477 7.3623 7.3623 9.1947 9.1947 9.3622 9.3622 10.4589 10.4589 10.9492 10.9492 11.3713 11.3713 k = 0.5357 0.3514 0.4976 ( 5258 PWs) bands (ev): -19.7443 -19.7443 -19.6979 -19.6979 -6.6020 -6.6020 -6.5504 -6.5504 -5.4069 -5.4069 -5.2780 -5.2780 -4.7137 -4.7137 -4.5069 -4.5069 -4.3068 -4.3068 -3.9327 -3.9327 -3.4272 -3.4272 -1.5807 -1.5807 -0.6650 -0.6650 0.5485 0.5485 3.1526 3.1526 3.1914 3.1914 3.6195 3.6195 3.7123 3.7123 5.1284 5.1284 5.2915 5.2915 5.8333 5.8333 6.2532 6.2532 6.6121 6.6121 6.9388 6.9388 7.3581 7.3581 9.1429 9.1429 9.3651 9.3651 10.4694 10.4694 11.0030 11.0030 11.3800 11.3800 k = 0.5238 0.3436 0.5133 ( 5258 PWs) bands (ev): -19.7445 -19.7445 -19.6976 -19.6976 -6.6026 -6.6026 -6.5509 -6.5509 -5.4028 -5.4028 -5.2799 -5.2799 -4.7149 -4.7149 -4.5057 -4.5057 -4.3081 -4.3081 -3.9326 -3.9326 -3.4256 -3.4256 -1.5858 -1.5858 -0.6609 -0.6609 0.5458 0.5458 3.1526 3.1526 3.1950 3.1950 3.6167 3.6167 3.7119 3.7119 5.1254 5.1254 5.2798 5.2798 5.8477 5.8477 6.2574 6.2574 6.6194 6.6194 6.9322 6.9322 7.3552 7.3552 9.1048 9.1048 9.3673 9.3673 10.4762 10.4762 11.0441 11.0441 11.3867 11.3867 k = 0.5119 0.3358 0.5289 ( 5260 PWs) bands (ev): -19.7446 -19.7446 -19.6975 -19.6975 -6.6031 -6.6031 -6.5512 -6.5512 -5.4002 -5.4002 -5.2810 -5.2810 -4.7156 -4.7156 -4.5049 -4.5049 -4.3089 -4.3089 -3.9326 -3.9326 -3.4246 -3.4246 -1.5889 -1.5889 -0.6584 -0.6584 0.5441 0.5441 3.1526 3.1526 3.1971 3.1971 3.6151 3.6151 3.7117 3.7117 5.1240 5.1240 5.2723 5.2723 5.8566 5.8566 6.2599 6.2599 6.6239 6.6239 6.9280 6.9280 7.3535 7.3535 9.0816 9.0816 9.3686 9.3686 10.4801 10.4801 11.0699 11.0699 11.3910 11.3910 k = 0.5000 0.3280 0.5445 ( 5254 PWs) bands (ev): -19.7446 -19.7446 -19.6975 -19.6975 -6.6032 -6.6032 -6.5513 -6.5513 -5.3994 -5.3994 -5.2814 -5.2814 -4.7158 -4.7158 -4.5047 -4.5047 -4.3092 -4.3092 -3.9325 -3.9325 -3.4243 -3.4243 -1.5899 -1.5899 -0.6576 -0.6576 0.5436 0.5436 3.1526 3.1526 3.1978 3.1978 3.6145 3.6145 3.7116 3.7116 5.1235 5.1235 5.2697 5.2697 5.8596 5.8596 6.2608 6.2608 6.6254 6.6254 6.9266 6.9266 7.3530 7.3530 9.0737 9.0737 9.3691 9.3691 10.4813 10.4813 11.0787 11.0787 11.3925 11.3925 k = 0.5000 0.3280 0.5445 ( 5254 PWs) bands (ev): -19.7446 -19.7446 -19.6975 -19.6975 -6.6032 -6.6032 -6.5513 -6.5513 -5.3994 -5.3994 -5.2814 -5.2814 -4.7158 -4.7158 -4.5047 -4.5047 -4.3092 -4.3092 -3.9325 -3.9325 -3.4243 -3.4243 -1.5899 -1.5899 -0.6576 -0.6576 0.5436 0.5436 3.1526 3.1526 3.1978 3.1978 3.6145 3.6145 3.7116 3.7116 5.1235 5.1235 5.2697 5.2697 5.8596 5.8596 6.2608 6.2608 6.6254 6.6254 6.9266 6.9266 7.3530 7.3530 9.0737 9.0737 9.3691 9.3691 10.4813 10.4813 11.0787 11.0787 11.3925 11.3925 k = 0.5122 0.3094 0.5445 ( 5254 PWs) bands (ev): -19.7446 -19.7446 -19.6975 -19.6975 -6.6029 -6.6029 -6.5512 -6.5512 -5.3994 -5.3994 -5.2812 -5.2812 -4.7157 -4.7157 -4.5052 -4.5052 -4.3090 -4.3090 -3.9358 -3.9358 -3.4217 -3.4217 -1.5891 -1.5891 -0.6571 -0.6571 0.5429 0.5429 3.1513 3.1513 3.1975 3.1975 3.6143 3.6143 3.7124 3.7124 5.1263 5.1263 5.2712 5.2712 5.8580 5.8580 6.2583 6.2583 6.6230 6.6230 6.9235 6.9235 7.3557 7.3557 9.0756 9.0756 9.3738 9.3738 10.4846 10.4846 11.0699 11.0699 11.3914 11.3914 k = 0.5243 0.2909 0.5445 ( 5258 PWs) bands (ev): -19.7445 -19.7445 -19.6976 -19.6976 -6.6022 -6.6022 -6.5510 -6.5510 -5.3996 -5.3996 -5.2807 -5.2807 -4.7154 -4.7154 -4.5067 -4.5067 -4.3083 -4.3083 -3.9452 -3.9452 -3.4140 -3.4140 -1.5866 -1.5866 -0.6558 -0.6558 0.5411 0.5411 3.1469 3.1469 3.1969 3.1969 3.6136 3.6136 3.7148 3.7148 5.1344 5.1344 5.2757 5.2757 5.8531 5.8531 6.2508 6.2508 6.6160 6.6160 6.9146 6.9146 7.3633 7.3633 9.0812 9.0812 9.3881 9.3881 10.4944 10.4944 11.0451 11.0451 11.3882 11.3882 k = 0.5365 0.2724 0.5445 ( 5254 PWs) bands (ev): -19.7444 -19.7444 -19.6977 -19.6977 -6.6009 -6.6009 -6.5507 -6.5507 -5.3999 -5.3999 -5.2797 -5.2797 -4.7148 -4.7148 -4.5091 -4.5091 -4.3073 -4.3073 -3.9602 -3.9602 -3.4020 -3.4020 -1.5826 -1.5826 -0.6534 -0.6534 0.5380 0.5380 3.1386 3.1386 3.1972 3.1972 3.6127 3.6127 3.7185 3.7185 5.1478 5.1478 5.2830 5.2830 5.8450 5.8450 6.2384 6.2384 6.6045 6.6045 6.9008 6.9008 7.3750 7.3750 9.0903 9.0903 9.4116 9.4116 10.5104 10.5104 11.0075 11.0075 11.3832 11.3832 k = 0.5486 0.2538 0.5445 ( 5260 PWs) bands (ev): -19.7441 -19.7441 -19.6980 -19.6980 -6.5992 -6.5992 -6.5503 -6.5503 -5.4003 -5.4003 -5.2784 -5.2784 -4.7140 -4.7140 -4.5124 -4.5124 -4.3060 -4.3060 -3.9796 -3.9796 -3.3867 -3.3867 -1.5769 -1.5769 -0.6503 -0.6503 0.5338 0.5338 3.1257 3.1257 3.1993 3.1993 3.6118 3.6118 3.7234 3.7234 5.1663 5.1663 5.2931 5.2931 5.8336 5.8336 6.2215 6.2215 6.5888 6.5888 6.8838 6.8838 7.3894 7.3894 9.1027 9.1027 9.4441 9.4441 10.5322 10.5322 10.9611 10.9611 11.3765 11.3765 k = 0.5608 0.2353 0.5445 ( 5266 PWs) bands (ev): -19.7439 -19.7439 -19.6983 -19.6983 -6.5970 -6.5970 -6.5497 -6.5497 -5.4007 -5.4007 -5.2767 -5.2767 -4.7130 -4.7130 -4.5165 -4.5165 -4.3046 -4.3046 -4.0025 -4.0025 -3.3690 -3.3690 -1.5697 -1.5697 -0.6462 -0.6462 0.5283 0.5283 3.1085 3.1085 3.2033 3.2033 3.6112 3.6112 3.7292 3.7292 5.1897 5.1897 5.3057 5.3057 5.8189 5.8189 6.2004 6.2004 6.5696 6.5696 6.8647 6.8647 7.4054 7.4054 9.1181 9.1181 9.4853 9.4853 10.5595 10.5595 10.9092 10.9092 11.3684 11.3684 k = 0.5730 0.2167 0.5445 ( 5262 PWs) bands (ev): -19.7435 -19.7435 -19.6986 -19.6986 -6.5944 -6.5944 -6.5491 -6.5491 -5.4010 -5.4010 -5.2748 -5.2748 -4.7117 -4.7117 -4.5212 -4.5212 -4.3034 -4.3034 -4.0278 -4.0278 -3.3500 -3.3500 -1.5611 -1.5611 -0.6414 -0.6414 0.5218 0.5218 3.0876 3.0876 3.2092 3.2092 3.6112 3.6112 3.7359 3.7359 5.2174 5.2174 5.3206 5.3206 5.8010 5.8010 6.1754 6.1754 6.5471 6.5471 6.8450 6.8450 7.4217 7.4217 9.1361 9.1361 9.5347 9.5347 10.5916 10.5916 10.8543 10.8543 11.3589 11.3589 k = 0.5851 0.1982 0.5445 ( 5260 PWs) bands (ev): -19.7432 -19.7432 -19.6990 -19.6990 -6.5914 -6.5914 -6.5483 -6.5483 -5.4013 -5.4013 -5.2725 -5.2725 -4.7103 -4.7103 -4.5266 -4.5266 -4.3025 -4.3025 -4.0545 -4.0545 -3.3305 -3.3305 -1.5510 -1.5510 -0.6359 -0.6359 0.5142 0.5142 3.0637 3.0637 3.2167 3.2167 3.6119 3.6119 3.7434 3.7434 5.2492 5.2492 5.3375 5.3375 5.7800 5.7800 6.1472 6.1472 6.5221 6.5221 6.8257 6.8257 7.4376 7.4376 9.1564 9.1564 9.5917 9.5917 10.6278 10.6278 10.7986 10.7986 11.3482 11.3482 k = 0.5973 0.1797 0.5445 ( 5256 PWs) bands (ev): -19.7427 -19.7427 -19.6994 -19.6994 -6.5881 -6.5881 -6.5475 -6.5475 -5.4014 -5.4014 -5.2699 -5.2699 -4.7085 -4.7085 -4.5325 -4.5325 -4.3021 -4.3021 -4.0819 -4.0819 -3.3112 -3.3112 -1.5396 -1.5396 -0.6297 -0.6297 0.5056 0.5056 3.0376 3.0376 3.2256 3.2256 3.6135 3.6135 3.7515 3.7515 5.2845 5.2845 5.3561 5.3561 5.7561 5.7561 6.1161 6.1161 6.4951 6.4951 6.8075 6.8075 7.4523 7.4523 9.1786 9.1786 9.6558 9.6558 10.6673 10.6673 10.7438 10.7438 11.3362 11.3362 k = 0.6094 0.1611 0.5445 ( 5248 PWs) bands (ev): -19.7422 -19.7422 -19.7000 -19.7000 -6.5845 -6.5845 -6.5466 -6.5466 -5.4013 -5.4013 -5.2669 -5.2669 -4.7066 -4.7066 -4.5388 -4.5388 -4.3024 -4.3024 -4.1092 -4.1092 -3.2928 -3.2928 -1.5270 -1.5270 -0.6230 -0.6230 0.4960 0.4960 3.0098 3.0098 3.2359 3.2359 3.6160 3.6160 3.7603 3.7603 5.3225 5.3225 5.3763 5.3763 5.7298 5.7298 6.0828 6.0828 6.4668 6.4668 6.7912 6.7912 7.4653 7.4653 9.2024 9.2024 9.7262 9.7262 10.6855 10.6855 10.7149 10.7149 11.3230 11.3230 k = 0.6216 0.1426 0.5445 ( 5248 PWs) bands (ev): -19.7417 -19.7417 -19.7005 -19.7005 -6.5806 -6.5806 -6.5457 -6.5457 -5.4010 -5.4010 -5.2637 -5.2637 -4.7046 -4.7046 -4.5456 -4.5456 -4.3036 -4.3036 -4.1356 -4.1356 -3.2756 -3.2756 -1.5133 -1.5133 -0.6158 -0.6158 0.4857 0.4857 2.9812 2.9812 3.2473 3.2473 3.6194 3.6194 3.7699 3.7699 5.3618 5.3618 5.3985 5.3985 5.7017 5.7017 6.0478 6.0478 6.4377 6.4377 6.7771 6.7771 7.4762 7.4762 9.2276 9.2276 9.8022 9.8022 10.6362 10.6362 10.7584 10.7584 11.3085 11.3085 k = 0.6338 0.1240 0.5445 ( 5248 PWs) bands (ev): -19.7411 -19.7411 -19.7011 -19.7011 -6.5766 -6.5766 -6.5446 -6.5446 -5.4005 -5.4005 -5.2600 -5.2600 -4.7025 -4.7025 -4.5528 -4.5528 -4.3060 -4.3060 -4.1606 -4.1606 -3.2602 -3.2602 -1.4987 -1.4987 -0.6083 -0.6083 0.4747 0.4747 2.9523 2.9523 3.2599 3.2599 3.6237 3.6237 3.7802 3.7802 5.3978 5.3978 5.4257 5.4257 5.6730 5.6730 6.0116 6.0116 6.4084 6.4084 6.7656 6.7656 7.4847 7.4847 9.2539 9.2539 9.8827 9.8827 10.5873 10.5873 10.8061 10.8061 11.2925 11.2925 k = 0.6459 0.1055 0.5445 ( 5252 PWs) bands (ev): -19.7405 -19.7405 -19.7018 -19.7018 -6.5725 -6.5725 -6.5436 -6.5436 -5.3997 -5.3997 -5.2559 -5.2559 -4.7005 -4.7005 -4.5603 -4.5603 -4.3097 -4.3097 -4.1835 -4.1835 -3.2468 -3.2468 -1.4834 -1.4834 -0.6005 -0.6005 0.4631 0.4631 2.9237 2.9237 3.2736 3.2736 3.6286 3.6286 3.7914 3.7914 5.4228 5.4228 5.4634 5.4634 5.6455 5.6455 5.9747 5.9747 6.3795 6.3795 6.7566 6.7566 7.4905 7.4905 9.2812 9.2812 9.9667 9.9667 10.5415 10.5415 10.8555 10.8555 11.2751 11.2751 k = 0.6581 0.0870 0.5445 ( 5244 PWs) bands (ev): -19.7398 -19.7398 -19.7024 -19.7024 -6.5684 -6.5684 -6.5424 -6.5424 -5.3988 -5.3988 -5.2512 -5.2512 -4.6988 -4.6988 -4.5679 -4.5679 -4.3149 -4.3149 -4.2037 -4.2037 -3.2357 -3.2357 -1.4674 -1.4674 -0.5926 -0.5926 0.4511 0.4511 2.8961 2.8961 3.2881 3.2881 3.6342 3.6342 3.8036 3.8036 5.4375 5.4375 5.5072 5.5072 5.6228 5.6228 5.9378 5.9378 6.3516 6.3516 6.7505 6.7505 7.4935 7.4935 9.3096 9.3096 10.0531 10.0531 10.4990 10.4990 10.9055 10.9055 11.2565 11.2565 k = 0.6702 0.0684 0.5445 ( 5246 PWs) bands (ev): -19.7391 -19.7391 -19.7032 -19.7032 -6.5643 -6.5643 -6.5412 -6.5412 -5.3977 -5.3977 -5.2458 -5.2458 -4.6979 -4.6979 -4.5753 -4.5753 -4.3216 -4.3216 -4.2211 -4.2211 -3.2272 -3.2272 -1.4511 -1.4511 -0.5848 -0.5848 0.4389 0.4389 2.8698 2.8698 3.3035 3.3035 3.6403 3.6403 3.8166 3.8166 5.4414 5.4414 5.5515 5.5515 5.6106 5.6106 5.9012 5.9012 6.3251 6.3251 6.7470 6.7470 7.4938 7.4938 9.3391 9.3391 10.1400 10.1400 10.4604 10.4604 10.9547 10.9547 11.2371 11.2371 k = 0.6824 0.0499 0.5445 ( 5258 PWs) bands (ev): -19.7384 -19.7384 -19.7039 -19.7039 -6.5604 -6.5604 -6.5398 -6.5398 -5.3966 -5.3966 -5.2396 -5.2396 -4.6982 -4.6982 -4.5821 -4.5821 -4.3295 -4.3295 -4.2356 -4.2356 -3.2214 -3.2214 -1.4346 -1.4346 -0.5771 -0.5771 0.4267 0.4267 2.8454 2.8454 3.3195 3.3195 3.6468 3.6468 3.8306 3.8306 5.4315 5.4315 5.5882 5.5882 5.6198 5.6198 5.8655 5.8655 6.3006 6.3006 6.7462 6.7462 7.4911 7.4911 9.3699 9.3699 10.2246 10.2246 10.4270 10.4270 11.0008 11.0008 11.2188 11.2188 k = 0.6946 0.0313 0.5445 ( 5262 PWs) bands (ev): -19.7376 -19.7376 -19.7047 -19.7047 -6.5568 -6.5568 -6.5383 -6.5383 -5.3956 -5.3956 -5.2325 -5.2325 -4.7004 -4.7004 -4.5875 -4.5875 -4.3381 -4.3381 -4.2475 -4.2475 -3.2185 -3.2185 -1.4182 -1.4182 -0.5696 -0.5696 0.4146 0.4146 2.8233 2.8233 3.3360 3.3360 3.6535 3.6535 3.8454 3.8454 5.4099 5.4099 5.6090 5.6090 5.6562 5.6562 5.8311 5.8311 6.2788 6.2788 6.7480 6.7480 7.4857 7.4857 9.4020 9.4020 10.2980 10.2980 10.4055 10.4055 11.0379 11.0379 11.2058 11.2058 k = 0.7067 0.0128 0.5445 ( 5274 PWs) bands (ev): -19.7369 -19.7369 -19.7055 -19.7055 -6.5536 -6.5536 -6.5365 -6.5365 -5.3948 -5.3948 -5.2243 -5.2243 -4.7050 -4.7050 -4.5910 -4.5910 -4.3467 -4.3467 -4.2574 -4.2574 -3.2185 -3.2185 -1.4021 -1.4021 -0.5625 -0.5625 0.4028 0.4028 2.8039 2.8039 3.3528 3.3528 3.6604 3.6604 3.8608 3.8608 5.3813 5.3813 5.6291 5.6291 5.6992 5.6992 5.7986 5.7986 6.2601 6.2601 6.7525 6.7525 7.4775 7.4775 9.4356 9.4356 10.3249 10.3249 10.4285 10.4285 11.0557 11.0557 11.2074 11.2074 k = 0.7189-0.0057 0.5445 ( 5274 PWs) bands (ev): -19.7361 -19.7361 -19.7063 -19.7063 -6.5509 -6.5509 -6.5344 -6.5344 -5.3942 -5.3942 -5.2150 -5.2150 -4.7124 -4.7124 -4.5920 -4.5920 -4.3548 -4.3548 -4.2659 -4.2659 -3.2216 -3.2216 -1.3865 -1.3865 -0.5559 -0.5559 0.3916 0.3916 2.7873 2.7873 3.3698 3.3698 3.6675 3.6675 3.8767 3.8767 5.3496 5.3496 5.6518 5.6518 5.7388 5.7388 5.7708 5.7708 6.2453 6.2453 6.7595 6.7595 7.4667 7.4667 9.4710 9.4710 10.3082 10.3082 10.4893 10.4893 11.0475 11.0475 11.2277 11.2277 k = 0.7310-0.0243 0.5445 ( 5276 PWs) bands (ev): -19.7353 -19.7353 -19.7071 -19.7071 -6.5488 -6.5488 -6.5320 -6.5320 -5.3941 -5.3941 -5.2044 -5.2044 -4.7223 -4.7223 -4.5905 -4.5905 -4.3618 -4.3618 -4.2734 -4.2734 -3.2278 -3.2278 -1.3717 -1.3717 -0.5498 -0.5498 0.3811 0.3811 2.7739 2.7739 3.3867 3.3867 3.6747 3.6747 3.8928 3.8928 5.3171 5.3171 5.6760 5.6760 5.7344 5.7344 5.7868 5.7868 6.2353 6.2353 6.7691 6.7691 7.4536 7.4536 9.5083 9.5083 10.2833 10.2833 10.5479 10.5479 11.0209 11.0209 11.2548 11.2548 k = 0.7432-0.0428 0.5445 ( 5268 PWs) bands (ev): -19.7344 -19.7344 -19.7079 -19.7079 -6.5472 -6.5472 -6.5293 -6.5293 -5.3944 -5.3944 -5.1926 -5.1926 -4.7341 -4.7341 -4.5869 -4.5869 -4.3677 -4.3677 -4.2802 -4.2802 -3.2369 -3.2369 -1.3579 -1.3579 -0.5444 -0.5444 0.3715 0.3715 2.7637 2.7637 3.4033 3.4033 3.6822 3.6822 3.9088 3.9088 5.2850 5.2850 5.7001 5.7001 5.7099 5.7099 5.8223 5.8223 6.2307 6.2307 6.7813 6.7813 7.4383 7.4383 9.5475 9.5475 10.2568 10.2568 10.5919 10.5919 10.9837 10.9837 11.2720 11.2720 k = 0.2568-0.3915 0.7947 ( 5268 PWs) bands (ev): -19.7344 -19.7344 -19.7079 -19.7079 -6.5472 -6.5472 -6.5293 -6.5293 -5.3944 -5.3944 -5.1926 -5.1926 -4.7341 -4.7341 -4.5869 -4.5869 -4.3677 -4.3677 -4.2802 -4.2802 -3.2369 -3.2369 -1.3579 -1.3579 -0.5444 -0.5444 0.3715 0.3715 2.7637 2.7637 3.4033 3.4033 3.6822 3.6822 3.9088 3.9088 5.2850 5.2850 5.7001 5.7001 5.7099 5.7099 5.8223 5.8223 6.2307 6.2307 6.7813 6.7813 7.4383 7.4383 9.5475 9.5475 10.2568 10.2568 10.5919 10.5919 10.9837 10.9837 11.2720 11.2720 k = 0.2451-0.3737 0.7947 ( 5272 PWs) bands (ev): -19.7337 -19.7337 -19.7088 -19.7088 -6.5460 -6.5460 -6.5267 -6.5267 -5.3951 -5.3951 -5.1803 -5.1803 -4.7466 -4.7466 -4.5818 -4.5818 -4.3722 -4.3722 -4.2862 -4.2862 -3.2486 -3.2486 -1.3458 -1.3458 -0.5398 -0.5398 0.3634 0.3634 2.7571 2.7571 3.4187 3.4187 3.6897 3.6897 3.9238 3.9238 5.2556 5.2556 5.6854 5.6854 5.7254 5.7254 5.8530 5.8530 6.2323 6.2323 6.7955 6.7955 7.4218 7.4218 9.5870 9.5870 10.2304 10.2304 10.6142 10.6142 10.9413 10.9413 11.2643 11.2643 k = 0.2334-0.3559 0.7947 ( 5270 PWs) bands (ev): -19.7329 -19.7329 -19.7096 -19.7096 -6.5452 -6.5452 -6.5240 -6.5240 -5.3963 -5.3963 -5.1670 -5.1670 -4.7595 -4.7595 -4.5755 -4.5755 -4.3755 -4.3755 -4.2919 -4.2919 -3.2629 -3.2629 -1.3348 -1.3348 -0.5359 -0.5359 0.3563 0.3563 2.7536 2.7536 3.4333 3.4333 3.6974 3.6974 3.9381 3.9381 5.2281 5.2281 5.6644 5.6644 5.7490 5.7490 5.8792 5.8792 6.2401 6.2401 6.8122 6.8122 7.4038 7.4038 9.6282 9.6282 10.2028 10.2028 10.6132 10.6132 10.8934 10.8934 11.2309 11.2309 k = 0.2218-0.3381 0.7947 ( 5276 PWs) bands (ev): -19.7321 -19.7321 -19.7103 -19.7103 -6.5445 -6.5445 -6.5214 -6.5214 -5.3980 -5.3980 -5.1531 -5.1531 -4.7720 -4.7720 -4.5684 -4.5684 -4.3778 -4.3778 -4.2973 -4.2973 -3.2798 -3.2798 -1.3253 -1.3253 -0.5327 -0.5327 0.3503 0.3503 2.7531 2.7531 3.4470 3.4470 3.7055 3.7055 3.9516 3.9516 5.2028 5.2028 5.6455 5.6455 5.7721 5.7721 5.9005 5.9005 6.2542 6.2542 6.8315 6.8315 7.3847 7.3847 9.6709 9.6709 10.1733 10.1733 10.5882 10.5882 10.8408 10.8408 11.1831 11.1831 k = 0.2101-0.3203 0.7947 ( 5270 PWs) bands (ev): -19.7313 -19.7313 -19.7111 -19.7111 -6.5441 -6.5441 -6.5190 -6.5190 -5.4000 -5.4000 -5.1389 -5.1389 -4.7836 -4.7836 -4.5607 -4.5607 -4.3791 -4.3791 -4.3022 -4.3022 -3.2991 -3.2991 -1.3172 -1.3172 -0.5302 -0.5302 0.3457 0.3457 2.7557 2.7557 3.4595 3.4595 3.7140 3.7140 3.9639 3.9639 5.1800 5.1800 5.6287 5.6287 5.7943 5.7943 5.9174 5.9174 6.2742 6.2742 6.8533 6.8533 7.3647 7.3647 9.7148 9.7148 10.1415 10.1415 10.5417 10.5417 10.7839 10.7839 11.1304 11.1304 k = 0.1984-0.3025 0.7947 ( 5272 PWs) bands (ev): -19.7306 -19.7306 -19.7119 -19.7119 -6.5438 -6.5438 -6.5167 -6.5167 -5.4024 -5.4024 -5.1249 -5.1249 -4.7935 -4.7935 -4.5528 -4.5528 -4.3795 -4.3795 -4.3067 -4.3067 -3.3208 -3.3208 -1.3106 -1.3106 -0.5283 -0.5283 0.3423 0.3423 2.7612 2.7612 3.4706 3.4706 3.7230 3.7230 3.9749 3.9749 5.1601 5.1601 5.6139 5.6139 5.8153 5.8153 5.9305 5.9305 6.2992 6.2992 6.8777 6.8777 7.3444 7.3444 9.7592 9.7592 10.1070 10.1070 10.4777 10.4777 10.7236 10.7236 11.0773 11.0773 k = 0.1868-0.2847 0.7947 ( 5266 PWs) bands (ev): -19.7298 -19.7298 -19.7126 -19.7126 -6.5436 -6.5436 -6.5146 -6.5146 -5.4050 -5.4050 -5.1116 -5.1116 -4.8012 -4.8012 -4.5448 -4.5448 -4.3793 -4.3793 -4.3106 -4.3106 -3.3446 -3.3446 -1.3055 -1.3055 -0.5271 -0.5271 0.3401 0.3401 2.7693 2.7693 3.4801 3.4801 3.7325 3.7325 3.9844 3.9844 5.1431 5.1431 5.6010 5.6010 5.8351 5.8351 5.9410 5.9410 6.3280 6.3280 6.9045 6.9045 7.3240 7.3240 9.8033 9.8033 10.0694 10.0694 10.4005 10.4005 10.6611 10.6611 11.0258 11.0258 k = 0.1751-0.2669 0.7947 ( 5270 PWs) bands (ev): -19.7291 -19.7291 -19.7134 -19.7134 -6.5434 -6.5434 -6.5128 -6.5128 -5.4079 -5.4079 -5.0996 -5.0996 -4.8059 -4.8059 -4.5370 -4.5370 -4.3784 -4.3784 -4.3138 -4.3138 -3.3703 -3.3703 -1.3018 -1.3018 -0.5264 -0.5264 0.3392 0.3392 2.7799 2.7799 3.4879 3.4879 3.7425 3.7425 3.9923 3.9923 5.1292 5.1292 5.5898 5.5898 5.8535 5.8535 5.9496 5.9496 6.3595 6.3595 6.9334 6.9334 7.3043 7.3043 9.8460 9.8460 10.0287 10.0287 10.3142 10.3142 10.5974 10.5974 10.9775 10.9775 k = 0.1634-0.2491 0.7947 ( 5268 PWs) bands (ev): -19.7284 -19.7284 -19.7141 -19.7141 -6.5433 -6.5433 -6.5111 -6.5111 -5.4109 -5.4109 -5.0896 -5.0896 -4.8071 -4.8071 -4.5294 -4.5294 -4.3771 -4.3771 -4.3163 -4.3163 -3.3977 -3.3977 -1.2996 -1.2996 -0.5262 -0.5262 0.3394 0.3394 2.7928 2.7928 3.4938 3.4938 3.7530 3.7530 3.9986 3.9986 5.1182 5.1182 5.5802 5.5802 5.8703 5.8703 5.9573 5.9573 6.3929 6.3929 6.9640 6.9640 7.2862 7.2862 9.8855 9.8855 9.9850 9.9850 10.2219 10.2219 10.5337 10.5337 10.9334 10.9334 k = 0.1517-0.2313 0.7947 ( 5264 PWs) bands (ev): -19.7278 -19.7278 -19.7147 -19.7147 -6.5432 -6.5432 -6.5097 -6.5097 -5.4141 -5.4141 -5.0820 -5.0820 -4.8043 -4.8043 -4.5223 -4.5223 -4.3754 -4.3754 -4.3180 -4.3180 -3.4266 -3.4266 -1.2987 -1.2987 -0.5265 -0.5265 0.3406 0.3406 2.8076 2.8076 3.4978 3.4978 3.7641 3.7641 4.0031 4.0031 5.1101 5.1101 5.5719 5.5719 5.8855 5.8855 5.9644 5.9644 6.4273 6.4273 6.9952 6.9952 7.2707 7.2707 9.9162 9.9162 9.9419 9.9419 10.1271 10.1271 10.4712 10.4712 10.8951 10.8951 k = 0.1401-0.2135 0.7947 ( 5268 PWs) bands (ev): -19.7272 -19.7272 -19.7154 -19.7154 -6.5431 -6.5431 -6.5086 -6.5086 -5.4172 -5.4172 -5.0771 -5.0771 -4.7976 -4.7976 -4.5157 -4.5157 -4.3735 -4.3735 -4.3186 -4.3186 -3.4565 -3.4565 -1.2990 -1.2990 -0.5272 -0.5272 0.3427 0.3427 2.8240 2.8240 3.4999 3.4999 3.7757 3.7757 4.0059 4.0059 5.1047 5.1047 5.5647 5.5647 5.8992 5.8992 5.9712 5.9712 6.4621 6.4621 7.0250 7.0250 7.2600 7.2600 9.8814 9.8814 9.9511 9.9511 10.0350 10.0350 10.4108 10.4108 10.8639 10.8639 k = 0.1284-0.1957 0.7947 ( 5274 PWs) bands (ev): -19.7266 -19.7266 -19.7160 -19.7160 -6.5431 -6.5431 -6.5076 -6.5076 -5.4203 -5.4203 -5.0747 -5.0747 -4.7872 -4.7872 -4.5097 -4.5097 -4.3713 -4.3713 -4.3184 -4.3184 -3.4872 -3.4872 -1.3002 -1.3002 -0.5281 -0.5281 0.3455 0.3455 2.8417 2.8417 3.5001 3.5001 3.7878 3.7878 4.0071 4.0071 5.1018 5.1018 5.5586 5.5586 5.9112 5.9112 5.9779 5.9779 6.4969 6.4969 7.0504 7.0504 7.2573 7.2573 9.8207 9.8207 9.9368 9.9368 9.9821 9.9821 10.3537 10.3537 10.8415 10.8415 k = 0.1167-0.1779 0.7947 ( 5282 PWs) bands (ev): -19.7260 -19.7260 -19.7165 -19.7165 -6.5430 -6.5430 -6.5068 -6.5068 -5.4233 -5.4233 -5.0745 -5.0745 -4.7738 -4.7738 -4.5043 -4.5043 -4.3690 -4.3690 -4.3172 -4.3172 -3.5183 -3.5183 -1.3023 -1.3023 -0.5293 -0.5293 0.3488 0.3488 2.8603 2.8603 3.4985 3.4985 3.8003 3.8003 4.0066 4.0066 5.1010 5.1010 5.5533 5.5533 5.9216 5.9216 5.9846 5.9846 6.5311 6.5311 7.0675 7.0675 7.2661 7.2661 9.7458 9.7458 9.8691 9.8691 9.9872 9.9872 10.3009 10.3009 10.8291 10.8291 k = 0.1051-0.1602 0.7947 ( 5278 PWs) bands (ev): -19.7255 -19.7255 -19.7170 -19.7170 -6.5429 -6.5429 -6.5062 -6.5062 -5.4261 -5.4261 -5.0761 -5.0761 -4.7582 -4.7582 -4.4997 -4.4997 -4.3664 -4.3664 -4.3153 -4.3153 -3.5494 -3.5494 -1.3050 -1.3050 -0.5306 -0.5306 0.3525 0.3525 2.8794 2.8794 3.4953 3.4953 3.8132 3.8132 4.0046 4.0046 5.1021 5.1021 5.5487 5.5487 5.9306 5.9306 5.9912 5.9912 6.5642 6.5642 7.0745 7.0745 7.2882 7.2882 9.6586 9.6586 9.8121 9.8121 9.9857 9.9857 10.2531 10.2531 10.8269 10.8269 k = 0.0934-0.1424 0.7947 ( 5270 PWs) bands (ev): -19.7251 -19.7251 -19.7175 -19.7175 -6.5428 -6.5428 -6.5057 -6.5057 -5.4287 -5.4287 -5.0787 -5.0787 -4.7413 -4.7413 -4.4958 -4.4958 -4.3635 -4.3635 -4.3128 -4.3128 -3.5799 -3.5799 -1.3081 -1.3081 -0.5320 -0.5320 0.3563 0.3563 2.8986 2.8986 3.4909 3.4909 3.8265 3.8265 4.0011 4.0011 5.1046 5.1046 5.5448 5.5448 5.9382 5.9382 5.9975 5.9975 6.5957 6.5957 7.0732 7.0732 7.3211 7.3211 9.5664 9.5664 9.7646 9.7646 9.9746 9.9746 10.2108 10.2108 10.8340 10.8340 k = 0.0817-0.1246 0.7947 ( 5260 PWs) bands (ev): -19.7247 -19.7247 -19.7179 -19.7179 -6.5427 -6.5427 -6.5054 -6.5054 -5.4312 -5.4312 -5.0821 -5.0821 -4.7240 -4.7240 -4.4926 -4.4926 -4.3601 -4.3601 -4.3101 -4.3101 -3.6093 -3.6093 -1.3114 -1.3114 -0.5334 -0.5334 0.3602 0.3602 2.9174 2.9174 3.4854 3.4854 3.8400 3.8400 3.9963 3.9963 5.1080 5.1080 5.5414 5.5414 5.9444 5.9444 6.0035 6.0035 6.6252 6.6252 7.0670 7.0670 7.3608 7.3608 9.4748 9.4748 9.7236 9.7236 9.9559 9.9559 10.1737 10.1737 10.8484 10.8484 k = 0.0700-0.1068 0.7947 ( 5260 PWs) bands (ev): -19.7243 -19.7243 -19.7183 -19.7183 -6.5426 -6.5426 -6.5052 -6.5052 -5.4333 -5.4333 -5.0856 -5.0856 -4.7072 -4.7072 -4.4900 -4.4900 -4.3563 -4.3563 -4.3073 -4.3073 -3.6371 -3.6371 -1.3147 -1.3147 -0.5347 -0.5347 0.3639 0.3639 2.9353 2.9353 3.4792 3.4792 3.8536 3.8536 3.9902 3.9902 5.1121 5.1121 5.5385 5.5385 5.9495 5.9495 6.0091 6.0091 6.6521 6.6521 7.0589 7.0589 7.4035 7.4035 9.3873 9.3873 9.6880 9.6880 9.9327 9.9327 10.1415 10.1415 10.8671 10.8671 k = 0.0584-0.0890 0.7947 ( 5256 PWs) bands (ev): -19.7240 -19.7240 -19.7186 -19.7186 -6.5425 -6.5425 -6.5051 -6.5051 -5.4352 -5.4352 -5.0891 -5.0891 -4.6916 -4.6916 -4.4879 -4.4879 -4.3521 -4.3521 -4.3047 -4.3047 -3.6625 -3.6625 -1.3178 -1.3178 -0.5359 -0.5359 0.3674 0.3674 2.9518 2.9518 3.4728 3.4728 3.8672 3.8672 3.9829 3.9829 5.1164 5.1164 5.5360 5.5360 5.9535 5.9535 6.0141 6.0141 6.6760 6.6760 7.0503 7.0503 7.4461 7.4461 9.3067 9.3067 9.6576 9.6576 9.9083 9.9083 10.1138 10.1138 10.8873 10.8873 k = 0.0467-0.0712 0.7947 ( 5250 PWs) bands (ev): -19.7237 -19.7237 -19.7189 -19.7189 -6.5424 -6.5424 -6.5050 -6.5050 -5.4367 -5.4367 -5.0922 -5.0922 -4.6780 -4.6780 -4.4864 -4.4864 -4.3478 -4.3478 -4.3024 -4.3024 -3.6847 -3.6847 -1.3206 -1.3206 -0.5369 -0.5369 0.3704 0.3704 2.9664 2.9664 3.4667 3.4667 3.8808 3.8808 3.9745 3.9745 5.1204 5.1204 5.5341 5.5341 5.9566 5.9566 6.0184 6.0184 6.6963 6.6963 7.0425 7.0425 7.4861 7.4861 9.2357 9.2357 9.6323 9.6323 9.8852 9.8852 10.0905 10.0905 10.9064 10.9064 k = 0.0350-0.0534 0.7947 ( 5262 PWs) bands (ev): -19.7235 -19.7235 -19.7191 -19.7191 -6.5423 -6.5423 -6.5049 -6.5049 -5.4380 -5.4380 -5.0948 -5.0948 -4.6668 -4.6668 -4.4853 -4.4853 -4.3436 -4.3436 -4.3006 -4.3006 -3.7031 -3.7031 -1.3230 -1.3230 -0.5378 -0.5378 0.3728 0.3728 2.9784 2.9784 3.4612 3.4612 3.8942 3.8942 3.9652 3.9652 5.1239 5.1239 5.5325 5.5325 5.9589 5.9589 6.0219 6.0219 6.7126 6.7126 7.0359 7.0359 7.5209 7.5209 9.1766 9.1766 9.6125 9.6125 9.8654 9.8654 10.0719 10.0719 10.9226 10.9226 k = 0.0233-0.0356 0.7947 ( 5256 PWs) bands (ev): -19.7234 -19.7234 -19.7192 -19.7192 -6.5422 -6.5422 -6.5049 -6.5049 -5.4389 -5.4389 -5.0968 -5.0968 -4.6585 -4.6585 -4.4846 -4.4846 -4.3401 -4.3401 -4.2994 -4.2994 -3.7169 -3.7169 -1.3247 -1.3247 -0.5385 -0.5385 0.3746 0.3746 2.9874 2.9874 3.4569 3.4569 3.9073 3.9073 3.9550 3.9550 5.1267 5.1267 5.5314 5.5314 5.9605 5.9605 6.0244 6.0244 6.7245 6.7245 7.0311 7.0311 7.5480 7.5480 9.1321 9.1321 9.5981 9.5981 9.8504 9.8504 10.0584 10.0584 10.9346 10.9346 k = 0.0117-0.0178 0.7947 ( 5252 PWs) bands (ev): -19.7233 -19.7233 -19.7193 -19.7193 -6.5422 -6.5422 -6.5049 -6.5049 -5.4394 -5.4394 -5.0980 -5.0980 -4.6534 -4.6534 -4.4842 -4.4842 -4.3377 -4.3377 -4.2987 -4.2987 -3.7254 -3.7254 -1.3258 -1.3258 -0.5388 -0.5388 0.3757 0.3757 2.9931 2.9931 3.4542 3.4542 3.9201 3.9201 3.9441 3.9441 5.1284 5.1284 5.5308 5.5308 5.9614 5.9614 6.0260 6.0260 6.7318 6.7318 7.0281 7.0281 7.5653 7.5653 9.1043 9.1043 9.5895 9.5895 9.8410 9.8410 10.0501 10.0501 10.9420 10.9420 k = 0.0000 0.0000 0.7947 ( 5248 PWs) bands (ev): -19.7233 -19.7233 -19.7193 -19.7193 -6.5422 -6.5422 -6.5049 -6.5049 -5.4396 -5.4396 -5.0984 -5.0984 -4.6517 -4.6517 -4.4841 -4.4841 -4.3369 -4.3369 -4.2984 -4.2984 -3.7283 -3.7283 -1.3262 -1.3262 -0.5390 -0.5390 0.3761 0.3761 2.9950 2.9950 3.4532 3.4532 3.9316 3.9316 3.9332 3.9332 5.1290 5.1290 5.5306 5.5306 5.9617 5.9617 6.0265 6.0265 6.7342 6.7342 7.0270 7.0270 7.5712 7.5712 9.0948 9.0948 9.5866 9.5866 9.8378 9.8378 10.0474 10.0474 10.9445 10.9445 k = 0.0000 0.0000 0.7947 ( 5248 PWs) bands (ev): -19.7233 -19.7233 -19.7193 -19.7193 -6.5422 -6.5422 -6.5049 -6.5049 -5.4396 -5.4396 -5.0984 -5.0984 -4.6517 -4.6517 -4.4841 -4.4841 -4.3369 -4.3369 -4.2984 -4.2984 -3.7283 -3.7283 -1.3262 -1.3262 -0.5390 -0.5390 0.3761 0.3761 2.9950 2.9950 3.4532 3.4532 3.9316 3.9316 3.9332 3.9332 5.1290 5.1290 5.5306 5.5306 5.9617 5.9617 6.0265 6.0265 6.7342 6.7342 7.0270 7.0270 7.5712 7.5712 9.0948 9.0948 9.5866 9.5866 9.8378 9.8378 10.0474 10.0474 10.9445 10.9445 k = 0.0182 0.0119 0.7947 ( 5250 PWs) bands (ev): -19.7235 -19.7235 -19.7192 -19.7192 -6.5423 -6.5423 -6.5051 -6.5051 -5.4395 -5.4395 -5.1003 -5.1003 -4.6525 -4.6525 -4.4820 -4.4820 -4.3405 -4.3405 -4.2939 -4.2939 -3.7271 -3.7271 -1.3264 -1.3264 -0.5409 -0.5409 0.3779 0.3779 2.9951 2.9951 3.4520 3.4520 3.9297 3.9297 3.9333 3.9333 5.1301 5.1301 5.5305 5.5305 5.9564 5.9564 6.0298 6.0298 6.7324 6.7324 7.0276 7.0276 7.5709 7.5709 9.0971 9.0971 9.5794 9.5794 9.8430 9.8430 10.0523 10.0523 10.9537 10.9537 k = 0.0364 0.0239 0.7947 ( 5252 PWs) bands (ev): -19.7239 -19.7239 -19.7187 -19.7187 -6.5427 -6.5427 -6.5055 -6.5055 -5.4393 -5.4393 -5.1058 -5.1058 -4.6547 -4.6547 -4.4760 -4.4760 -4.3484 -4.3484 -4.2832 -4.2832 -3.7234 -3.7234 -1.3270 -1.3270 -0.5466 -0.5466 0.3831 0.3831 2.9956 2.9956 3.4485 3.4485 3.9254 3.9254 3.9322 3.9322 5.1336 5.1336 5.5304 5.5304 5.9432 5.9432 6.0370 6.0370 6.7268 6.7268 7.0290 7.0290 7.5698 7.5698 9.1038 9.1038 9.5602 9.5602 9.8572 9.8572 10.0668 10.0668 10.9804 10.9804 k = 0.0546 0.0358 0.7947 ( 5252 PWs) bands (ev): -19.7246 -19.7246 -19.7181 -19.7181 -6.5434 -6.5434 -6.5061 -6.5061 -5.4390 -5.4390 -5.1147 -5.1147 -4.6578 -4.6578 -4.4672 -4.4672 -4.3573 -4.3573 -4.2691 -4.2691 -3.7174 -3.7174 -1.3280 -1.3280 -0.5559 -0.5559 0.3916 0.3916 2.9964 2.9964 3.4428 3.4428 3.9194 3.9194 3.9295 3.9295 5.1394 5.1394 5.5299 5.5299 5.9260 5.9260 6.0449 6.0449 6.7178 6.7178 7.0313 7.0313 7.5681 7.5681 9.1146 9.1146 9.5335 9.5335 9.8774 9.8774 10.0906 10.0906 11.0221 11.0221 k = 0.0728 0.0478 0.7947 ( 5254 PWs) bands (ev): -19.7253 -19.7253 -19.7174 -19.7174 -6.5443 -6.5443 -6.5070 -6.5070 -5.4388 -5.4388 -5.1262 -5.1262 -4.6614 -4.6614 -4.4570 -4.4570 -4.3657 -4.3657 -4.2527 -4.2527 -3.7091 -3.7091 -1.3294 -1.3294 -0.5685 -0.5685 0.4032 0.4032 2.9976 2.9976 3.4348 3.4348 3.9116 3.9116 3.9251 3.9251 5.1475 5.1475 5.5288 5.5288 5.9070 5.9070 6.0514 6.0514 6.7055 6.7055 7.0339 7.0339 7.5657 7.5657 9.1290 9.1290 9.5042 9.5042 9.9014 9.9014 10.1228 10.1228 11.0733 11.0733 k = 0.0910 0.0597 0.7947 ( 5248 PWs) bands (ev): -19.7261 -19.7261 -19.7166 -19.7166 -6.5455 -6.5455 -6.5082 -6.5082 -5.4389 -5.4389 -5.1396 -5.1396 -4.6652 -4.6652 -4.4474 -4.4474 -4.3724 -4.3724 -4.2342 -4.2342 -3.6988 -3.6988 -1.3313 -1.3313 -0.5839 -0.5839 0.4174 0.4174 2.9991 2.9991 3.4247 3.4247 3.9022 3.9022 3.9193 3.9193 5.1579 5.1579 5.5265 5.5265 5.8875 5.8875 6.0561 6.0561 6.6903 6.6903 7.0366 7.0366 7.5627 7.5627 9.1462 9.1462 9.4764 9.4764 9.9282 9.9282 10.1622 10.1622 11.1171 11.1171 k = 0.1092 0.0717 0.7947 ( 5258 PWs) bands (ev): -19.7269 -19.7269 -19.7159 -19.7159 -6.5469 -6.5469 -6.5095 -6.5095 -5.4394 -5.4394 -5.1543 -5.1543 -4.6688 -4.6688 -4.4404 -4.4404 -4.3760 -4.3760 -4.2137 -4.2137 -3.6865 -3.6865 -1.3335 -1.3335 -0.6018 -0.6018 0.4338 0.4338 3.0009 3.0009 3.4126 3.4126 3.8912 3.8912 3.9121 3.9121 5.1705 5.1705 5.5227 5.5227 5.8681 5.8681 6.0588 6.0588 6.6726 6.6726 7.0390 7.0390 7.5591 7.5591 9.1648 9.1648 9.4540 9.4540 9.9573 9.9573 10.2074 10.2074 11.1069 11.1069 k = 0.1275 0.0836 0.7947 ( 5264 PWs) bands (ev): -19.7277 -19.7277 -19.7151 -19.7151 -6.5485 -6.5485 -6.5111 -6.5111 -5.4407 -5.4407 -5.1692 -5.1692 -4.6722 -4.6722 -4.4379 -4.4379 -4.3752 -4.3752 -4.1912 -4.1912 -3.6726 -3.6726 -1.3362 -1.3362 -0.6216 -0.6216 0.4521 0.4521 3.0030 3.0030 3.3987 3.3987 3.8789 3.8789 3.9036 3.9036 5.1854 5.1854 5.5171 5.5171 5.8491 5.8491 6.0598 6.0598 6.6530 6.6530 7.0408 7.0408 7.5549 7.5549 9.1829 9.1829 9.4403 9.4403 9.9885 9.9885 10.2565 10.2565 11.0610 11.0610 k = 0.1457 0.0955 0.7947 ( 5265 PWs) bands (ev): -19.7285 -19.7285 -19.7144 -19.7144 -6.5504 -6.5504 -6.5128 -6.5128 -5.4431 -5.4431 -5.1836 -5.1836 -4.6753 -4.6753 -4.4400 -4.4400 -4.3702 -4.3702 -4.1669 -4.1669 -3.6572 -3.6572 -1.3392 -1.3392 -0.6428 -0.6428 0.4719 0.4719 3.0054 3.0054 3.3831 3.3831 3.8655 3.8655 3.8939 3.8939 5.2024 5.2024 5.5097 5.5097 5.8303 5.8303 6.0597 6.0597 6.6318 6.6318 7.0418 7.0418 7.5500 7.5500 9.1984 9.1984 9.4385 9.4385 10.0215 10.0215 10.3072 10.3072 11.0117 11.0117 k = 0.1639 0.1075 0.7947 ( 5257 PWs) bands (ev): -19.7293 -19.7293 -19.7136 -19.7136 -6.5525 -6.5525 -6.5147 -6.5147 -5.4469 -5.4469 -5.1966 -5.1966 -4.6782 -4.6782 -4.4450 -4.4450 -4.3628 -4.3628 -4.1413 -4.1413 -3.6406 -3.6406 -1.3427 -1.3427 -0.6650 -0.6650 0.4927 0.4927 3.0081 3.0081 3.3659 3.3659 3.8512 3.8512 3.8832 3.8832 5.2215 5.2215 5.5006 5.5006 5.8108 5.8108 6.0592 6.0592 6.6097 6.6097 7.0420 7.0420 7.5445 7.5445 9.2101 9.2101 9.4503 9.4503 10.0561 10.0561 10.3567 10.3567 10.9660 10.9660 k = 0.1821 0.1194 0.7947 ( 5259 PWs) bands (ev): -19.7302 -19.7302 -19.7128 -19.7128 -6.5548 -6.5548 -6.5168 -6.5168 -5.4526 -5.4526 -5.2077 -5.2077 -4.6810 -4.6810 -4.4514 -4.4514 -4.3546 -4.3546 -4.1148 -4.1148 -3.6231 -3.6231 -1.3465 -1.3465 -0.6879 -0.6879 0.5144 0.5144 3.0111 3.0111 3.3475 3.3475 3.8362 3.8362 3.8716 3.8716 5.2426 5.2426 5.4904 5.4904 5.7896 5.7896 6.0589 6.0589 6.5871 6.5871 7.0415 7.0415 7.5383 7.5383 9.2186 9.2186 9.4752 9.4752 10.0915 10.0915 10.4017 10.4017 10.9261 10.9261 k = 0.2003 0.1314 0.7947 ( 5261 PWs) bands (ev): -19.7310 -19.7310 -19.7121 -19.7121 -6.5572 -6.5572 -6.5189 -6.5189 -5.4601 -5.4601 -5.2162 -5.2162 -4.6836 -4.6836 -4.4582 -4.4582 -4.3463 -4.3463 -4.0877 -4.0877 -3.6047 -3.6047 -1.3507 -1.3507 -0.7109 -0.7109 0.5366 0.5366 3.0143 3.0143 3.3279 3.3279 3.8209 3.8209 3.8592 3.8592 5.2656 5.2656 5.4796 5.4796 5.7656 5.7656 6.0597 6.0597 6.5645 6.5645 7.0405 7.0405 7.5313 7.5313 9.2258 9.2258 9.5106 9.5106 10.1268 10.1268 10.4382 10.4382 10.8939 10.8939 k = 0.2185 0.1433 0.7947 ( 5255 PWs) bands (ev): -19.7318 -19.7318 -19.7113 -19.7113 -6.5599 -6.5599 -6.5210 -6.5210 -5.4697 -5.4697 -5.2218 -5.2218 -4.6862 -4.6862 -4.4649 -4.4649 -4.3383 -4.3383 -4.0605 -4.0605 -3.5858 -3.5858 -1.3553 -1.3553 -0.7338 -0.7338 0.5590 0.5590 3.0177 3.0177 3.3073 3.3073 3.8055 3.8055 3.8460 3.8460 5.2905 5.2905 5.4691 5.4691 5.7379 5.7379 6.0619 6.0619 6.5423 6.5423 7.0393 7.0393 7.5237 7.5237 9.2337 9.2337 9.5539 9.5539 10.1607 10.1607 10.4624 10.4624 10.8709 10.8709 k = 0.2367 0.1553 0.7947 ( 5265 PWs) bands (ev): -19.7327 -19.7327 -19.7106 -19.7106 -6.5628 -6.5628 -6.5231 -6.5231 -5.4811 -5.4811 -5.2246 -5.2246 -4.6888 -4.6888 -4.4711 -4.4711 -4.3308 -4.3308 -4.0338 -4.0338 -3.5667 -3.5667 -1.3602 -1.3602 -0.7561 -0.7561 0.5815 0.5815 3.0212 3.0212 3.2860 3.2860 3.7905 3.7905 3.8322 3.8322 5.3170 5.3170 5.4595 5.4595 5.7063 5.7063 6.0654 6.0654 6.5209 6.5209 7.0381 7.0381 7.5153 7.5153 9.2436 9.2436 9.6026 9.6026 10.1917 10.1917 10.4711 10.4711 10.8587 10.8587 k = 0.2549 0.1672 0.7947 ( 5263 PWs) bands (ev): -19.7335 -19.7335 -19.7099 -19.7099 -6.5659 -6.5659 -6.5252 -6.5252 -5.4941 -5.4941 -5.2247 -5.2247 -4.6915 -4.6915 -4.4767 -4.4767 -4.3238 -4.3238 -4.0078 -4.0078 -3.5474 -3.5474 -1.3654 -1.3654 -0.7778 -0.7778 0.6039 0.6039 3.0248 3.0248 3.2642 3.2642 3.7761 3.7761 3.8179 3.8179 5.3451 5.3451 5.4516 5.4516 5.6706 5.6706 6.0701 6.0701 6.5007 6.5007 7.0374 7.0374 7.5062 7.5062 9.2560 9.2560 9.6551 9.6551 10.2183 10.2183 10.4625 10.4625 10.8589 10.8589 k = 0.2731 0.1791 0.7947 ( 5260 PWs) bands (ev): -19.7343 -19.7343 -19.7092 -19.7092 -6.5691 -6.5691 -6.5273 -6.5273 -5.5081 -5.5081 -5.2222 -5.2222 -4.6942 -4.6942 -4.4817 -4.4817 -4.3173 -4.3173 -3.9830 -3.9830 -3.5283 -3.5283 -1.3708 -1.3708 -0.7984 -0.7984 0.6261 0.6261 3.0283 3.0283 3.2421 3.2421 3.7627 3.7627 3.8029 3.8029 5.3742 5.3742 5.4459 5.4459 5.6316 5.6316 6.0754 6.0754 6.4819 6.4819 7.0374 7.0374 7.4964 7.4964 9.2708 9.2708 9.7099 9.7099 10.2394 10.2394 10.4370 10.4370 10.8724 10.8724 k = 0.2913 0.1911 0.7947 ( 5262 PWs) bands (ev): -19.7351 -19.7351 -19.7085 -19.7085 -6.5724 -6.5724 -6.5292 -6.5292 -5.5230 -5.5230 -5.2175 -5.2175 -4.6970 -4.6970 -4.4859 -4.4859 -4.3114 -4.3114 -3.9597 -3.9597 -3.5095 -3.5095 -1.3765 -1.3765 -0.8179 -0.8179 0.6479 0.6479 3.0316 3.0316 3.2198 3.2198 3.7506 3.7506 3.7874 3.7874 5.4036 5.4036 5.4431 5.4431 5.5904 5.5904 6.0806 6.0806 6.4648 6.4648 7.0384 7.0384 7.4859 7.4859 9.2877 9.2877 9.7656 9.7656 10.2545 10.2545 10.3968 10.3968 10.8991 10.8991 k = 0.3095 0.2030 0.7947 ( 5268 PWs) bands (ev): -19.7359 -19.7359 -19.7078 -19.7078 -6.5758 -6.5758 -6.5310 -6.5310 -5.5382 -5.5382 -5.2108 -5.2108 -4.7000 -4.7000 -4.4893 -4.4893 -4.3060 -4.3060 -3.9380 -3.9380 -3.4912 -3.4912 -1.3822 -1.3822 -0.8360 -0.8360 0.6694 0.6694 3.0347 3.0347 3.1976 3.1976 3.7403 3.7403 3.7713 3.7713 5.4277 5.4277 5.4474 5.4474 5.5496 5.5496 6.0851 6.0851 6.4497 6.4497 7.0404 7.0404 7.4749 7.4749 9.3059 9.3059 9.8213 9.8213 10.2645 10.2645 10.3449 10.3449 10.9380 10.9380 k = 0.5000 0.3280-0.2501 ( 5276 PWs) bands (ev): -19.7320 -19.7320 -19.7262 -19.7262 -6.6870 -6.6870 -6.5267 -6.5267 -5.9391 -5.9391 -4.9904 -4.9904 -4.4700 -4.4700 -4.3782 -4.3782 -4.3057 -4.3057 -3.6375 -3.6375 -3.2467 -3.2467 -1.7369 -1.7369 -0.8635 -0.8635 2.0751 2.0751 2.5745 2.5745 2.5763 2.5763 3.9058 3.9058 4.4182 4.4182 4.7863 4.7863 5.2764 5.2764 5.5330 5.5330 6.1837 6.1837 6.2940 6.2940 6.8596 6.8596 7.1218 7.1218 8.5930 8.5930 8.9319 8.9319 9.8077 9.8077 9.9327 9.9327 9.9331 9.9331 k = 0.5112 0.3108-0.2501 ( 5272 PWs) bands (ev): -19.7321 -19.7321 -19.7262 -19.7262 -6.6873 -6.6873 -6.5263 -6.5263 -5.9391 -5.9391 -4.9899 -4.9899 -4.4706 -4.4706 -4.3782 -4.3782 -4.3057 -4.3057 -3.6370 -3.6370 -3.2478 -3.2478 -1.7361 -1.7361 -0.8648 -0.8648 2.0774 2.0774 2.5680 2.5680 2.5829 2.5829 3.9060 3.9060 4.4191 4.4191 4.7857 4.7857 5.2736 5.2736 5.5341 5.5341 6.1819 6.1819 6.2968 6.2968 6.8554 6.8554 7.1212 7.1212 8.5953 8.5953 8.9372 8.9372 9.8116 9.8116 9.9169 9.9169 9.9322 9.9322 k = 0.5225 0.2937-0.2501 ( 5270 PWs) bands (ev): -19.7322 -19.7322 -19.7261 -19.7261 -6.6880 -6.6880 -6.5253 -6.5253 -5.9391 -5.9391 -4.9882 -4.9882 -4.4723 -4.4723 -4.3782 -4.3782 -4.3055 -4.3055 -3.6356 -3.6356 -3.2513 -3.2513 -1.7338 -1.7338 -0.8690 -0.8690 2.0843 2.0843 2.5608 2.5608 2.5902 2.5902 3.9067 3.9067 4.4219 4.4219 4.7842 4.7842 5.2652 5.2652 5.5375 5.5375 6.1772 6.1772 6.3049 6.3049 6.8429 6.8429 7.1194 7.1194 8.6022 8.6022 8.9531 8.9531 9.8225 9.8225 9.8763 9.8763 9.9310 9.9310 k = 0.5337 0.2766-0.2501 ( 5266 PWs) bands (ev): -19.7323 -19.7323 -19.7259 -19.7259 -6.6891 -6.6891 -6.5236 -6.5236 -5.9390 -5.9390 -4.9855 -4.9855 -4.4751 -4.4751 -4.3782 -4.3782 -4.3052 -4.3052 -3.6332 -3.6332 -3.2570 -3.2570 -1.7301 -1.7301 -0.8757 -0.8757 2.0957 2.0957 2.5538 2.5538 2.5974 2.5974 3.9079 3.9079 4.4265 4.4265 4.7818 4.7818 5.2513 5.2513 5.5430 5.5430 6.1709 6.1709 6.3171 6.3171 6.8227 6.8227 7.1165 7.1165 8.6132 8.6132 8.9789 8.9789 9.8165 9.8165 9.8462 9.8462 9.9305 9.9305 k = 0.5450 0.2594-0.2501 ( 5266 PWs) bands (ev): -19.7325 -19.7325 -19.7257 -19.7257 -6.6905 -6.6905 -6.5213 -6.5213 -5.9390 -5.9390 -4.9818 -4.9818 -4.4788 -4.4788 -4.3783 -4.3783 -4.3049 -4.3049 -3.6299 -3.6299 -3.2648 -3.2648 -1.7249 -1.7249 -0.8850 -0.8850 2.1112 2.1112 2.5472 2.5472 2.6044 2.6044 3.9095 3.9095 4.4327 4.4327 4.7785 4.7785 5.2321 5.2321 5.5505 5.5505 6.1642 6.1642 6.3322 6.3322 6.7956 6.7956 7.1126 7.1126 8.6275 8.6275 9.0136 9.0136 9.7590 9.7590 9.8668 9.8668 9.9341 9.9341 k = 0.5562 0.2423-0.2501 ( 5266 PWs) bands (ev): -19.7328 -19.7328 -19.7255 -19.7255 -6.6921 -6.6921 -6.5186 -6.5186 -5.9390 -5.9390 -4.9770 -4.9770 -4.4833 -4.4833 -4.3785 -4.3785 -4.3045 -4.3045 -3.6259 -3.6259 -3.2746 -3.2746 -1.7185 -1.7185 -0.8965 -0.8965 2.1306 2.1306 2.5409 2.5409 2.6112 2.6112 3.9117 3.9117 4.4405 4.4405 4.7746 4.7746 5.2080 5.2080 5.5599 5.5599 6.1582 6.1582 6.3496 6.3496 6.7627 6.7627 7.1077 7.1077 8.6442 8.6442 9.0561 9.0561 9.6986 9.6986 9.8880 9.8880 9.9488 9.9488 k = 0.5674 0.2252-0.2501 ( 5264 PWs) bands (ev): -19.7331 -19.7331 -19.7251 -19.7251 -6.6939 -6.6939 -6.5155 -6.5155 -5.9391 -5.9391 -4.9712 -4.9712 -4.4885 -4.4885 -4.3789 -4.3789 -4.3040 -4.3040 -3.6212 -3.6212 -3.2862 -3.2862 -1.7110 -1.7110 -0.9101 -0.9101 2.1534 2.1534 2.5351 2.5351 2.6177 2.6177 3.9143 3.9143 4.4496 4.4496 4.7702 4.7702 5.1795 5.1795 5.5709 5.5709 6.1537 6.1537 6.3688 6.3688 6.7251 6.7251 7.1021 7.1021 8.6625 8.6625 9.1045 9.1045 9.6395 9.6395 9.9031 9.9031 9.9806 9.9806 k = 0.5787 0.2080-0.2501 ( 5268 PWs) bands (ev): -19.7335 -19.7335 -19.7248 -19.7248 -6.6956 -6.6956 -6.5123 -6.5123 -5.9392 -5.9392 -4.9645 -4.9645 -4.4941 -4.4941 -4.3794 -4.3794 -4.3036 -4.3036 -3.6161 -3.6161 -3.2993 -3.2993 -1.7026 -1.7026 -0.9254 -0.9254 2.1791 2.1791 2.5298 2.5298 2.6238 2.6238 3.9175 3.9175 4.4597 4.4597 4.7656 4.7656 5.1473 5.1473 5.5835 5.5835 6.1510 6.1510 6.3894 6.3894 6.6840 6.6840 7.0960 7.0960 8.6816 8.6816 9.1570 9.1570 9.5835 9.5835 9.9169 9.9169 10.0256 10.0256 k = 0.5899 0.1909-0.2501 ( 5270 PWs) bands (ev): -19.7340 -19.7340 -19.7243 -19.7243 -6.6972 -6.6972 -6.5088 -6.5088 -5.9394 -5.9394 -4.9569 -4.9569 -4.5002 -4.5002 -4.3800 -4.3800 -4.3033 -4.3033 -3.6107 -3.6107 -3.3137 -3.3137 -1.6935 -1.6935 -0.9421 -0.9421 2.2072 2.2072 2.5252 2.5252 2.6295 2.6295 3.9213 3.9213 4.4702 4.4702 4.7609 4.7609 5.1123 5.1123 5.5973 5.5973 6.1504 6.1504 6.4111 6.4111 6.6407 6.6407 7.0895 7.0895 8.7006 8.7006 9.2112 9.2112 9.5314 9.5314 9.9357 9.9357 10.0786 10.0786 k = 0.6011 0.1738-0.2501 ( 5268 PWs) bands (ev): -19.7345 -19.7345 -19.7238 -19.7238 -6.6986 -6.6986 -6.5054 -6.5054 -5.9397 -5.9397 -4.9486 -4.9486 -4.5065 -4.5065 -4.3808 -4.3808 -4.3031 -4.3031 -3.6053 -3.6053 -3.3291 -3.3291 -1.6838 -1.6838 -0.9598 -0.9598 2.2369 2.2369 2.5213 2.5213 2.6348 2.6348 3.9258 3.9258 4.4806 4.4806 4.7565 4.7565 5.0757 5.0757 5.6122 5.6122 6.1521 6.1521 6.4337 6.4337 6.5962 6.5962 7.0831 7.0831 8.7190 8.7190 9.2648 9.2648 9.4839 9.4839 9.9629 9.9629 10.1368 10.1368 k = 0.6124 0.1566-0.2501 ( 5254 PWs) bands (ev): -19.7350 -19.7350 -19.7233 -19.7233 -6.6996 -6.6996 -6.5020 -6.5020 -5.9402 -5.9402 -4.9395 -4.9395 -4.5129 -4.5129 -4.3816 -4.3816 -4.3030 -4.3030 -3.6001 -3.6001 -3.3450 -3.3450 -1.6738 -1.6738 -0.9784 -0.9784 2.2676 2.2676 2.5180 2.5180 2.6397 2.6397 3.9311 3.9311 4.4900 4.4900 4.7524 4.7524 5.0388 5.0388 5.6280 5.6280 6.1562 6.1562 6.4570 6.4570 6.5516 6.5516 7.0771 7.0771 8.7361 8.7361 9.3158 9.3158 9.4415 9.4415 10.0006 10.0006 10.1982 10.1982 k = 0.6236 0.1395-0.2501 ( 5246 PWs) bands (ev): -19.7356 -19.7356 -19.7227 -19.7227 -6.7002 -6.7002 -6.4987 -6.4987 -5.9408 -5.9408 -4.9298 -4.9298 -4.5193 -4.5193 -4.3824 -4.3824 -4.3031 -4.3031 -3.5956 -3.5956 -3.3610 -3.3610 -1.6637 -1.6637 -0.9973 -0.9973 2.2985 2.2985 2.5156 2.5156 2.6440 2.6440 3.9375 3.9375 4.4969 4.4969 4.7489 4.7489 5.0036 5.0036 5.6444 5.6444 6.1625 6.1625 6.4798 6.4798 6.5086 6.5086 7.0719 7.0719 8.7517 8.7517 9.3624 9.3624 9.4048 9.4048 10.0495 10.0495 10.2613 10.2613 k = 0.3764-0.5738-0.0000 ( 5246 PWs) bands (ev): -19.7356 -19.7356 -19.7227 -19.7227 -6.7002 -6.7002 -6.4987 -6.4987 -5.9408 -5.9408 -4.9298 -4.9298 -4.5193 -4.5193 -4.3824 -4.3824 -4.3031 -4.3031 -3.5956 -3.5956 -3.3610 -3.3610 -1.6637 -1.6637 -0.9973 -0.9973 2.2985 2.2985 2.5156 2.5156 2.6440 2.6440 3.9375 3.9375 4.4969 4.4969 4.7489 4.7489 5.0036 5.0036 5.6444 5.6444 6.1625 6.1625 6.4798 6.4798 6.5086 6.5086 7.0719 7.0719 8.7517 8.7517 9.3624 9.3624 9.4048 9.4048 10.0495 10.0495 10.2613 10.2613 k = 0.3642-0.5553-0.0000 ( 5242 PWs) bands (ev): -19.7363 -19.7363 -19.7220 -19.7220 -6.7004 -6.7004 -6.4954 -6.4954 -5.9418 -5.9418 -4.9189 -4.9189 -4.5262 -4.5262 -4.3832 -4.3832 -4.3034 -4.3034 -3.5918 -3.5918 -3.3779 -3.3779 -1.6530 -1.6530 -1.0178 -1.0178 2.3312 2.3312 2.5139 2.5139 2.6483 2.6483 3.9458 3.9458 4.4998 4.4998 4.7460 4.7460 4.9699 4.9699 5.6626 5.6626 6.1715 6.1715 6.4608 6.4608 6.5080 6.5080 7.0677 7.0677 8.7663 8.7663 9.3709 9.3709 9.4081 9.4081 10.1144 10.1144 10.3294 10.3294 k = 0.3521-0.5368-0.0000 ( 5244 PWs) bands (ev): -19.7370 -19.7370 -19.7213 -19.7213 -6.6998 -6.6998 -6.4923 -6.4923 -5.9431 -5.9431 -4.9075 -4.9075 -4.5330 -4.5330 -4.3838 -4.3838 -4.3039 -4.3039 -3.5898 -3.5898 -3.3936 -3.3936 -1.6425 -1.6425 -1.0381 -1.0381 2.3621 2.3621 2.5132 2.5132 2.6520 2.6520 3.9560 3.9560 4.4954 4.4954 4.7440 4.7440 4.9438 4.9438 5.6812 5.6812 6.1828 6.1828 6.4186 6.4186 6.5334 6.5334 7.0656 7.0656 8.7783 8.7783 9.3446 9.3446 9.4473 9.4473 10.1893 10.1893 10.3957 10.3957 k = 0.3400-0.5183-0.0000 ( 5246 PWs) bands (ev): -19.7378 -19.7378 -19.7206 -19.7206 -6.6986 -6.6986 -6.4895 -6.4895 -5.9447 -5.9447 -4.8960 -4.8960 -4.5396 -4.5396 -4.3843 -4.3843 -4.3045 -4.3045 -3.5904 -3.5904 -3.4072 -3.4072 -1.6326 -1.6326 -1.0576 -1.0576 2.3902 2.3902 2.5134 2.5134 2.6552 2.6552 3.9684 3.9684 4.4814 4.4814 4.7431 4.7431 4.9283 4.9283 5.7000 5.7000 6.1958 6.1958 6.3798 6.3798 6.5588 6.5588 7.0661 7.0661 8.7874 8.7874 9.3252 9.3252 9.4820 9.4820 10.2691 10.2691 10.4581 10.4581 k = 0.3278-0.4998-0.0000 ( 5250 PWs) bands (ev): -19.7386 -19.7386 -19.7198 -19.7198 -6.6967 -6.6967 -6.4870 -6.4870 -5.9468 -5.9468 -4.8843 -4.8843 -4.5459 -4.5459 -4.3847 -4.3847 -4.3052 -4.3052 -3.5939 -3.5939 -3.4180 -3.4180 -1.6235 -1.6235 -1.0761 -1.0761 2.4145 2.4145 2.5147 2.5147 2.6579 2.6579 3.9834 3.9834 4.4569 4.4569 4.7434 4.7434 4.9249 4.9249 5.7189 5.7189 6.2101 6.2101 6.3455 6.3455 6.5838 6.5838 7.0698 7.0698 8.7935 8.7935 9.3129 9.3129 9.5126 9.5126 10.3402 10.3402 10.5102 10.5102 k = 0.3157-0.4813-0.0000 ( 5248 PWs) bands (ev): -19.7394 -19.7394 -19.7189 -19.7189 -6.6939 -6.6939 -6.4849 -6.4849 -5.9493 -5.9493 -4.8729 -4.8729 -4.5519 -4.5519 -4.3849 -4.3849 -4.3060 -4.3060 -3.6007 -3.6007 -3.4257 -3.4257 -1.6154 -1.6154 -1.0933 -1.0933 2.4340 2.4340 2.5169 2.5169 2.6601 2.6601 4.0014 4.0014 4.4224 4.4224 4.7448 4.7448 4.9333 4.9333 5.7376 5.7376 6.2255 6.2255 6.3164 6.3164 6.6082 6.6082 7.0770 7.0770 8.7965 8.7965 9.3076 9.3076 9.5392 9.5392 10.3499 10.3499 10.5211 10.5211 k = 0.3035-0.4628-0.0000 ( 5244 PWs) bands (ev): -19.7403 -19.7403 -19.7181 -19.7181 -6.6903 -6.6903 -6.4830 -6.4830 -5.9523 -5.9523 -4.8617 -4.8617 -4.5576 -4.5576 -4.3852 -4.3852 -4.3066 -4.3066 -3.6104 -3.6104 -3.4303 -3.4303 -1.6083 -1.6083 -1.1089 -1.1089 2.4482 2.4482 2.5199 2.5199 2.6619 2.6619 4.0226 4.0226 4.3801 4.3801 4.7472 4.7472 4.9521 4.9521 5.7563 5.7563 6.2412 6.2412 6.2932 6.2932 6.6322 6.6322 7.0880 7.0880 8.7964 8.7964 9.3091 9.3091 9.5609 9.5609 10.2857 10.2857 10.5844 10.5844 k = 0.2914-0.4442-0.0000 ( 5244 PWs) bands (ev): -19.7412 -19.7412 -19.7172 -19.7172 -6.6859 -6.6859 -6.4815 -6.4815 -5.9557 -5.9557 -4.8510 -4.8510 -4.5630 -4.5630 -4.3858 -4.3858 -4.3071 -4.3071 -3.6222 -3.6222 -3.4324 -3.4324 -1.6026 -1.6026 -1.1226 -1.1226 2.4563 2.4563 2.5238 2.5238 2.6633 2.6633 4.0472 4.0472 4.3322 4.3322 4.7508 4.7508 4.9792 4.9792 5.7748 5.7748 6.2563 6.2563 6.2771 6.2771 6.6560 6.6560 7.1026 7.1026 8.7933 8.7933 9.3171 9.3171 9.5752 9.5752 10.2095 10.2095 10.6551 10.6551 k = 0.2793-0.4257-0.0000 ( 5246 PWs) bands (ev): -19.7421 -19.7421 -19.7163 -19.7163 -6.6808 -6.6808 -6.4802 -6.4802 -5.9597 -5.9597 -4.8408 -4.8408 -4.5681 -4.5681 -4.3868 -4.3868 -4.3072 -4.3072 -3.6353 -3.6353 -3.4325 -3.4325 -1.5982 -1.5982 -1.1343 -1.1343 2.4582 2.4582 2.5283 2.5283 2.6643 2.6643 4.0749 4.0749 4.2808 4.2808 4.7554 4.7554 5.0129 5.0129 5.7933 5.7933 6.2612 6.2612 6.2775 6.2775 6.6799 6.6799 7.1206 7.1206 8.7875 8.7875 9.3312 9.3312 9.5779 9.5779 10.1418 10.1418 10.7036 10.7036 k = 0.2671-0.4072-0.0000 ( 5244 PWs) bands (ev): -19.7431 -19.7431 -19.7154 -19.7154 -6.6748 -6.6748 -6.4791 -6.4791 -5.9643 -5.9643 -4.8314 -4.8314 -4.5728 -4.5728 -4.3885 -4.3885 -4.3070 -4.3070 -3.6485 -3.6485 -3.4313 -3.4313 -1.5952 -1.5952 -1.1439 -1.1439 2.4537 2.4537 2.5334 2.5334 2.6650 2.6650 4.1051 4.1051 4.2277 4.2277 4.7612 4.7612 5.0520 5.0520 5.8119 5.8119 6.2585 6.2585 6.2919 6.2919 6.7042 6.7042 7.1416 7.1416 8.7791 8.7791 9.3511 9.3511 9.5637 9.5637 10.0918 10.0918 10.7434 10.7434 k = 0.2550-0.3887-0.0000 ( 5244 PWs) bands (ev): -19.7440 -19.7440 -19.7144 -19.7144 -6.6680 -6.6680 -6.4782 -6.4782 -5.9694 -5.9694 -4.8226 -4.8226 -4.5773 -4.5773 -4.3911 -4.3911 -4.3064 -4.3064 -3.6610 -3.6610 -3.4293 -3.4293 -1.5938 -1.5938 -1.1512 -1.1512 2.4430 2.4430 2.5390 2.5390 2.6654 2.6654 4.1342 4.1342 4.1772 4.1772 4.7681 4.7681 5.0956 5.0956 5.8306 5.8306 6.2611 6.2611 6.3073 6.3073 6.7294 6.7294 7.1650 7.1650 8.7687 8.7687 9.3759 9.3759 9.5290 9.5290 10.0643 10.0643 10.7803 10.7803 k = 0.2428-0.3702-0.0000 ( 5236 PWs) bands (ev): -19.7449 -19.7449 -19.7135 -19.7135 -6.6606 -6.6606 -6.4773 -6.4773 -5.9751 -5.9751 -4.8145 -4.8145 -4.5815 -4.5815 -4.3948 -4.3948 -4.3058 -4.3058 -3.6720 -3.6720 -3.4270 -3.4270 -1.5939 -1.5939 -1.1562 -1.1562 2.4263 2.4263 2.5451 2.5451 2.6657 2.6657 4.1119 4.1119 4.1798 4.1798 4.7764 4.7764 5.1429 5.1429 5.8496 5.8496 6.2701 6.2701 6.3227 6.3227 6.7556 6.7556 7.1903 7.1903 8.7567 8.7567 9.4044 9.4044 9.4753 9.4753 10.0585 10.0585 10.8152 10.8152 k = 0.2307-0.3517-0.0000 ( 5242 PWs) bands (ev): -19.7459 -19.7459 -19.7126 -19.7126 -6.6525 -6.6525 -6.4765 -6.4765 -5.9814 -5.9814 -4.8072 -4.8072 -4.5854 -4.5854 -4.3996 -4.3996 -4.3053 -4.3053 -3.6810 -3.6810 -3.4246 -3.4246 -1.5956 -1.5956 -1.1589 -1.1589 2.4042 2.4042 2.5516 2.5516 2.6658 2.6658 4.0593 4.0593 4.2139 4.2139 4.7861 4.7861 5.1935 5.1935 5.8688 5.8688 6.2856 6.2856 6.3381 6.3381 6.7827 6.7827 7.2168 7.2168 8.7435 8.7435 9.4013 9.4013 9.4424 9.4424 10.0693 10.0693 10.8480 10.8480 k = 0.2185-0.3332-0.0000 ( 5238 PWs) bands (ev): -19.7468 -19.7468 -19.7117 -19.7117 -6.6439 -6.6439 -6.4757 -6.4757 -5.9883 -5.9883 -4.8004 -4.8004 -4.5892 -4.5892 -4.4054 -4.4054 -4.3054 -4.3054 -3.6873 -3.6873 -3.4223 -3.4223 -1.5988 -1.5988 -1.1594 -1.1594 2.3774 2.3774 2.5583 2.5583 2.6659 2.6659 4.0059 4.0059 4.2495 4.2495 4.7976 4.7976 5.2470 5.2470 5.8881 5.8881 6.3074 6.3074 6.3536 6.3536 6.8108 6.8108 7.2438 7.2438 8.7298 8.7298 9.3257 9.3257 9.4754 9.4754 10.0906 10.0906 10.8777 10.8777 k = 0.2064-0.3147-0.0000 ( 5240 PWs) bands (ev): -19.7477 -19.7477 -19.7108 -19.7108 -6.6348 -6.6348 -6.4746 -6.4746 -5.9957 -5.9957 -4.7942 -4.7942 -4.5927 -4.5927 -4.4121 -4.4121 -4.3063 -4.3063 -3.6908 -3.6908 -3.4201 -3.4201 -1.6035 -1.6035 -1.1576 -1.1576 2.3464 2.3464 2.5652 2.5652 2.6660 2.6660 3.9534 3.9534 4.2842 4.2842 4.8113 4.8113 5.3029 5.3029 5.9074 5.9074 6.3354 6.3354 6.3697 6.3697 6.8395 6.8395 7.2710 7.2710 8.7163 8.7163 9.2434 9.2434 9.5116 9.5116 10.1174 10.1174 10.9017 10.9017 k = 0.1943-0.2962-0.0000 ( 5242 PWs) bands (ev): -19.7486 -19.7486 -19.7099 -19.7099 -6.6254 -6.6254 -6.4734 -6.4734 -6.0037 -6.0037 -4.7885 -4.7885 -4.5960 -4.5960 -4.4196 -4.4196 -4.3085 -4.3085 -3.6912 -3.6912 -3.4180 -3.4180 -1.6096 -1.6096 -1.1539 -1.1539 2.3121 2.3121 2.5720 2.5720 2.6664 2.6664 3.9023 3.9023 4.3168 4.3168 4.8275 4.8275 5.3609 5.3609 5.9262 5.9262 6.3688 6.3688 6.3872 6.3872 6.8685 6.8685 7.2976 7.2976 8.7036 8.7036 9.1590 9.1590 9.5473 9.5473 10.1463 10.1463 10.9152 10.9152 k = 0.1821-0.2777-0.0000 ( 5242 PWs) bands (ev): -19.7495 -19.7495 -19.7090 -19.7090 -6.6158 -6.6158 -6.4717 -6.4717 -6.0121 -6.0121 -4.7832 -4.7832 -4.5992 -4.5992 -4.4277 -4.4277 -4.3121 -4.3121 -3.6885 -3.6885 -3.4160 -3.4160 -1.6169 -1.6169 -1.1482 -1.1482 2.2753 2.2753 2.5787 2.5787 2.6670 2.6670 3.8530 3.8530 4.3464 4.3464 4.8464 4.8464 5.4206 5.4206 5.9442 5.9442 6.3994 6.3994 6.4146 6.4146 6.8974 6.8974 7.3234 7.3234 8.6923 8.6923 9.0745 9.0745 9.5803 9.5803 10.1744 10.1744 10.9112 10.9113 k = 0.1700-0.2591-0.0000 ( 5238 PWs) bands (ev): -19.7503 -19.7503 -19.7082 -19.7082 -6.6063 -6.6063 -6.4695 -6.4695 -6.0211 -6.0211 -4.7782 -4.7782 -4.6023 -4.6023 -4.4363 -4.4363 -4.3171 -4.3171 -3.6831 -3.6831 -3.4140 -3.4140 -1.6255 -1.6255 -1.1409 -1.1409 2.2367 2.2367 2.5851 2.5851 2.6680 2.6680 3.8055 3.8055 4.3724 4.3724 4.8682 4.8682 5.4817 5.4817 5.9609 5.9609 6.4197 6.4197 6.4590 6.4590 6.9257 6.9257 7.3479 7.3479 8.6831 8.6831 8.9911 8.9911 9.6081 9.6081 10.1996 10.1996 10.8887 10.8887 k = 0.1578-0.2406-0.0000 ( 5236 PWs) bands (ev): -19.7511 -19.7511 -19.7074 -19.7074 -6.5971 -6.5971 -6.4666 -6.4666 -6.0305 -6.0305 -4.7734 -4.7734 -4.6054 -4.6054 -4.4450 -4.4450 -4.3235 -4.3235 -3.6752 -3.6752 -3.4121 -3.4121 -1.6350 -1.6350 -1.1322 -1.1322 2.1971 2.1971 2.5910 2.5910 2.6695 2.6695 3.7603 3.7603 4.3944 4.3944 4.8928 4.8928 5.5436 5.5436 5.9759 5.9759 6.4399 6.4399 6.5104 6.5104 6.9529 6.9529 7.3707 7.3707 8.6766 8.6766 8.9095 8.9095 9.6280 9.6280 10.2198 10.2198 10.8496 10.8496 k = 0.1457-0.2221-0.0000 ( 5240 PWs) bands (ev): -19.7519 -19.7519 -19.7066 -19.7066 -6.5884 -6.5884 -6.4629 -6.4629 -6.0403 -6.0403 -4.7687 -4.7687 -4.6086 -4.6086 -4.4537 -4.4537 -4.3312 -4.3312 -3.6654 -3.6654 -3.4099 -3.4099 -1.6453 -1.6453 -1.1223 -1.1223 2.1572 2.1572 2.5962 2.5962 2.6717 2.6717 3.7173 3.7173 4.4124 4.4124 4.9198 4.9198 5.6057 5.6057 5.9889 5.9889 6.4612 6.4612 6.5667 6.5667 6.9784 6.9784 7.3917 7.3917 8.6733 8.6733 8.8305 8.8305 9.6374 9.6374 10.2333 10.2333 10.7832 10.7832 k = 0.1336-0.2036-0.0000 ( 5244 PWs) bands (ev): -19.7526 -19.7526 -19.7059 -19.7059 -6.5803 -6.5803 -6.4582 -6.4582 -6.0503 -6.0503 -4.7642 -4.7642 -4.6118 -4.6118 -4.4621 -4.4621 -4.3398 -4.3398 -3.6542 -3.6542 -3.4076 -3.4076 -1.6562 -1.6562 -1.1115 -1.1115 2.1176 2.1176 2.6008 2.6008 2.6744 2.6744 3.6769 3.6769 4.4266 4.4266 4.9486 4.9486 5.6674 5.6674 5.9998 5.9998 6.4842 6.4842 6.6269 6.6269 7.0019 7.0019 7.4105 7.4105 8.6734 8.6734 8.7549 8.7549 9.6340 9.6340 10.2385 10.2385 10.7162 10.7162 k = 0.1214-0.1851-0.0000 ( 5252 PWs) bands (ev): -19.7533 -19.7533 -19.7052 -19.7052 -6.5731 -6.5731 -6.4524 -6.4524 -6.0606 -6.0606 -4.7597 -4.7597 -4.6153 -4.6153 -4.4700 -4.4700 -4.3492 -4.3492 -3.6423 -3.6423 -3.4049 -3.4049 -1.6674 -1.6674 -1.1002 -1.1002 2.0791 2.0791 2.6045 2.6045 2.6778 2.6778 3.6391 3.6391 4.4376 4.4376 4.9786 4.9786 5.7279 5.7279 6.0085 6.0085 6.5088 6.5088 6.6900 6.6900 7.0227 7.0227 7.4271 7.4271 8.6699 8.6699 8.6906 8.6906 9.6170 9.6170 10.2344 10.2344 10.6554 10.6554 k = 0.1093-0.1666-0.0000 ( 5238 PWs) bands (ev): -19.7539 -19.7539 -19.7046 -19.7046 -6.5670 -6.5670 -6.4457 -6.4457 -6.0710 -6.0710 -4.7551 -4.7551 -4.6191 -4.6191 -4.4771 -4.4771 -4.3591 -4.3591 -3.6301 -3.6301 -3.4018 -3.4018 -1.6788 -1.6788 -1.0886 -1.0886 2.0422 2.0422 2.6076 2.6076 2.6816 2.6816 3.6043 3.6043 4.4457 4.4457 5.0089 5.0089 5.7862 5.7862 6.0151 6.0151 6.5352 6.5352 6.7547 6.7547 7.0403 7.0403 7.4414 7.4414 8.6104 8.6104 8.6908 8.6908 9.5867 9.5867 10.2208 10.2208 10.6031 10.6031 k = 0.0971-0.1481-0.0000 ( 5237 PWs) bands (ev): -19.7545 -19.7545 -19.7041 -19.7041 -6.5619 -6.5619 -6.4381 -6.4381 -6.0814 -6.0814 -4.7507 -4.7507 -4.6232 -4.6232 -4.4831 -4.4831 -4.3692 -4.3692 -3.6183 -3.6183 -3.3982 -3.3982 -1.6899 -1.6899 -1.0771 -1.0771 2.0075 2.0075 2.6099 2.6099 2.6859 2.6859 3.5724 3.5724 4.4516 4.4516 5.0388 5.0388 5.8414 5.8414 6.0198 6.0198 6.5634 6.5634 6.8196 6.8196 7.0544 7.0544 7.4534 7.4534 8.5467 8.5467 8.7046 8.7046 9.5447 9.5447 10.1986 10.1986 10.5600 10.5600 k = 0.0850-0.1296-0.0000 ( 5233 PWs) bands (ev): -19.7550 -19.7550 -19.7036 -19.7036 -6.5577 -6.5577 -6.4299 -6.4299 -6.0916 -6.0916 -4.7462 -4.7462 -4.6276 -4.6276 -4.4881 -4.4881 -4.3792 -4.3792 -3.6074 -3.6074 -3.3943 -3.3943 -1.7007 -1.7007 -1.0661 -1.0661 1.9756 1.9756 2.6117 2.6117 2.6903 2.6903 3.5438 3.5438 4.4557 4.4557 5.0674 5.0674 5.8922 5.8922 6.0233 6.0233 6.5932 6.5932 6.8832 6.8832 7.0645 7.0645 7.4632 7.4632 8.4875 8.4875 8.7239 8.7239 9.4932 9.4932 10.1702 10.1702 10.5257 10.5257 k = 0.0728-0.1111-0.0000 ( 5229 PWs) bands (ev): -19.7554 -19.7554 -19.7031 -19.7031 -6.5545 -6.5545 -6.4214 -6.4214 -6.1013 -6.1013 -4.7417 -4.7417 -4.6324 -4.6324 -4.4917 -4.4917 -4.3889 -4.3889 -3.5976 -3.5976 -3.3901 -3.3901 -1.7107 -1.7107 -1.0557 -1.0557 1.9468 1.9468 2.6131 2.6131 2.6946 2.6946 3.5185 3.5185 4.4585 4.4585 5.0941 5.0941 5.9367 5.9367 6.0265 6.0265 6.6242 6.6242 6.9438 6.9438 7.0704 7.0704 7.4710 7.4710 8.4339 8.4339 8.7484 8.7484 9.4348 9.4348 10.1388 10.1388 10.4985 10.4985 k = 0.0607-0.0926-0.0000 ( 5229 PWs) bands (ev): -19.7558 -19.7558 -19.7027 -19.7027 -6.5520 -6.5520 -6.4131 -6.4131 -6.1104 -6.1104 -4.7374 -4.7374 -4.6373 -4.6373 -4.4942 -4.4942 -4.3980 -4.3980 -3.5892 -3.5892 -3.3859 -3.3859 -1.7197 -1.7197 -1.0464 -1.0464 1.9217 1.9217 2.6140 2.6140 2.6988 2.6988 3.4967 3.4967 4.4603 4.4603 5.1180 5.1180 5.9721 5.9721 6.0319 6.0319 6.6559 6.6559 6.9993 6.9993 7.0722 7.0722 7.4769 7.4769 8.3868 8.3868 8.7780 8.7780 9.3721 9.3721 10.1077 10.1077 10.4771 10.4771 k = 0.0486-0.0740-0.0000 ( 5227 PWs) bands (ev): -19.7561 -19.7561 -19.7024 -19.7024 -6.5502 -6.5502 -6.4053 -6.4053 -6.1186 -6.1186 -4.7334 -4.7334 -4.6420 -4.6420 -4.4956 -4.4956 -4.4061 -4.4061 -3.5823 -3.5823 -3.3818 -3.3818 -1.7275 -1.7275 -1.0384 -1.0384 1.9006 1.9006 2.6147 2.6147 2.7024 2.7024 3.4787 3.4787 4.4614 4.4614 5.1387 5.1387 5.9932 5.9932 6.0442 6.0442 6.6871 6.6871 7.0471 7.0471 7.0711 7.0711 7.4813 7.4813 8.3470 8.3470 8.8122 8.8122 9.3075 9.3075 10.0793 10.0793 10.4603 10.4603 k = 0.0364-0.0555-0.0000 ( 5223 PWs) bands (ev): -19.7564 -19.7564 -19.7022 -19.7022 -6.5489 -6.5489 -6.3986 -6.3986 -6.1254 -6.1254 -4.7298 -4.7298 -4.6464 -4.6464 -4.4961 -4.4961 -4.4130 -4.4130 -3.5770 -3.5770 -3.3783 -3.3783 -1.7338 -1.7338 -1.0319 -1.0319 1.8839 1.8839 2.6152 2.6152 2.7055 2.7055 3.4645 3.4645 4.4621 4.4621 5.1555 5.1555 6.0011 6.0011 6.0623 6.0623 6.7160 6.7160 7.0627 7.0627 7.0908 7.0908 7.4843 7.4843 8.3150 8.3150 8.8503 8.8503 9.2439 9.2439 10.0556 10.0556 10.4475 10.4475 k = 0.0243-0.0370-0.0000 ( 5213 PWs) bands (ev): -19.7566 -19.7566 -19.7020 -19.7020 -6.5480 -6.5480 -6.3934 -6.3934 -6.1306 -6.1306 -4.7268 -4.7268 -4.6500 -4.6500 -4.4961 -4.4961 -4.4184 -4.4184 -3.5733 -3.5733 -3.3755 -3.3755 -1.7384 -1.7384 -1.0271 -1.0271 1.8717 1.8717 2.6155 2.6155 2.7077 2.7077 3.4542 3.4542 4.4624 4.4624 5.1679 5.1679 6.0032 6.0032 6.0787 6.0787 6.7401 6.7401 7.0569 7.0569 7.1202 7.1202 7.4863 7.4863 8.2917 8.2917 8.8902 8.8902 9.1846 9.1846 10.0379 10.0379 10.4384 10.4384 k = 0.0121-0.0185-0.0000 ( 5215 PWs) bands (ev): -19.7567 -19.7567 -19.7019 -19.7019 -6.5475 -6.5475 -6.3901 -6.3901 -6.1339 -6.1339 -4.7249 -4.7249 -4.6523 -4.6523 -4.4960 -4.4960 -4.4217 -4.4217 -3.5711 -3.5711 -3.3737 -3.3737 -1.7413 -1.7413 -1.0241 -1.0241 1.8643 1.8643 2.6156 2.6156 2.7091 2.7091 3.4480 3.4480 4.4626 4.4626 5.1755 5.1755 6.0036 6.0036 6.0893 6.0893 6.7565 6.7565 7.0515 7.0515 7.1388 7.1388 7.4875 7.4875 8.2775 8.2775 8.9261 8.9261 9.1366 9.1366 10.0269 10.0269 10.4329 10.4329 k = 0.0000 0.0000 0.0000 ( 5215 PWs) bands (ev): -19.7567 -19.7567 -19.7018 -19.7018 -6.5473 -6.5473 -6.3890 -6.3890 -6.1351 -6.1351 -4.7242 -4.7242 -4.6532 -4.6532 -4.4959 -4.4959 -4.4229 -4.4229 -3.5704 -3.5704 -3.3731 -3.3731 -1.7423 -1.7423 -1.0231 -1.0231 1.8619 1.8619 2.6157 2.6157 2.7096 2.7096 3.4460 3.4460 4.4626 4.4626 5.1781 5.1781 6.0036 6.0036 6.0930 6.0930 6.7623 6.7623 7.0494 7.0494 7.1452 7.1452 7.4878 7.4878 8.2728 8.2728 8.9428 8.9428 9.1158 9.1158 10.0232 10.0232 10.4311 10.4311 k = 0.0000 0.0000 0.0000 ( 5215 PWs) bands (ev): -19.7567 -19.7567 -19.7018 -19.7018 -6.5473 -6.5473 -6.3890 -6.3890 -6.1351 -6.1351 -4.7242 -4.7242 -4.6532 -4.6532 -4.4959 -4.4959 -4.4229 -4.4229 -3.5704 -3.5704 -3.3731 -3.3731 -1.7423 -1.7423 -1.0231 -1.0231 1.8619 1.8619 2.6157 2.6157 2.7096 2.7096 3.4460 3.4460 4.4626 4.4626 5.1781 5.1781 6.0036 6.0036 6.0930 6.0930 6.7623 6.7623 7.0494 7.0494 7.1452 7.1452 7.4878 7.4878 8.2728 8.2728 8.9428 8.9428 9.1158 9.1158 10.0232 10.0232 10.4311 10.4311 k = 0.0192-0.0084-0.0048 ( 5217 PWs) bands (ev): -19.7567 -19.7567 -19.7019 -19.7019 -6.5474 -6.5474 -6.3901 -6.3901 -6.1340 -6.1340 -4.7253 -4.7253 -4.6525 -4.6525 -4.4960 -4.4960 -4.4214 -4.4214 -3.5706 -3.5706 -3.3738 -3.3738 -1.7416 -1.7416 -1.0236 -1.0236 1.8633 1.8633 2.6162 2.6162 2.7093 2.7093 3.4471 3.4471 4.4627 4.4627 5.1761 5.1761 6.0031 6.0031 6.0897 6.0897 6.7577 6.7577 7.0502 7.0502 7.1409 7.1409 7.4869 7.4869 8.2748 8.2748 8.9339 8.9339 9.1313 9.1313 10.0253 10.0253 10.4316 10.4316 k = 0.0385-0.0167-0.0096 ( 5214 PWs) bands (ev): -19.7566 -19.7566 -19.7020 -19.7020 -6.5476 -6.5476 -6.3936 -6.3936 -6.1310 -6.1310 -4.7282 -4.7282 -4.6507 -4.6507 -4.4961 -4.4961 -4.4170 -4.4170 -3.5714 -3.5714 -3.3758 -3.3758 -1.7396 -1.7396 -1.0251 -1.0251 1.8678 1.8678 2.6177 2.6177 2.7082 2.7082 3.4506 3.4506 4.4628 4.4628 5.1704 5.1704 6.0014 6.0014 6.0800 6.0800 6.7447 6.7447 7.0520 7.0520 7.1285 7.1285 7.4843 7.4843 8.2808 8.2808 8.9146 8.9146 9.1703 9.1703 10.0313 10.0313 10.4330 10.4330 k = 0.0577-0.0251-0.0144 ( 5225 PWs) bands (ev): -19.7564 -19.7564 -19.7022 -19.7022 -6.5480 -6.5480 -6.3990 -6.3990 -6.1262 -6.1262 -4.7327 -4.7327 -4.6483 -4.6483 -4.4956 -4.4956 -4.4104 -4.4104 -3.5728 -3.5728 -3.3789 -3.3789 -1.7364 -1.7364 -1.0276 -1.0276 1.8752 1.8752 2.6202 2.6202 2.7065 2.7065 3.4563 3.4563 4.4629 4.4629 5.1610 5.1610 5.9978 5.9978 6.0647 6.0647 6.7246 6.7246 7.0523 7.0523 7.1090 7.1090 7.4804 7.4804 8.2909 8.2909 8.8948 8.8948 9.2220 9.2220 10.0413 10.0413 10.4350 10.4350 k = 0.0769-0.0334-0.0192 ( 5223 PWs) bands (ev): -19.7561 -19.7561 -19.7024 -19.7024 -6.5486 -6.5486 -6.4062 -6.4062 -6.1198 -6.1198 -4.7384 -4.7384 -4.6456 -4.6456 -4.4941 -4.4941 -4.4020 -4.4020 -3.5751 -3.5751 -3.3829 -3.3829 -1.7320 -1.7320 -1.0310 -1.0310 1.8855 1.8855 2.6234 2.6234 2.7042 2.7042 3.4644 3.4644 4.4631 4.4631 5.1483 5.1483 5.9905 5.9905 6.0457 6.0457 6.6995 6.6995 7.0450 7.0450 7.0872 7.0872 7.4759 7.4759 8.3055 8.3055 8.8797 8.8797 9.2803 9.2803 10.0550 10.0550 10.4371 10.4371 k = 0.0962-0.0418-0.0241 ( 5226 PWs) bands (ev): -19.7558 -19.7558 -19.7027 -19.7027 -6.5493 -6.5493 -6.4147 -6.4147 -6.1122 -6.1122 -4.7447 -4.7447 -4.6432 -4.6432 -4.4910 -4.4910 -4.3924 -4.3924 -3.5784 -3.5784 -3.3873 -3.3873 -1.7265 -1.7265 -1.0353 -1.0353 1.8987 1.8987 2.6272 2.6272 2.7015 2.7015 3.4747 3.4747 4.4633 4.4633 5.1324 5.1324 5.9752 5.9752 6.0273 6.0273 6.6712 6.6712 7.0190 7.0190 7.0736 7.0736 7.4712 7.4712 8.3246 8.3246 8.8711 8.8711 9.3418 9.3418 10.0717 10.0717 10.4390 10.4390 k = 0.1154-0.0501-0.0289 ( 5222 PWs) bands (ev): -19.7555 -19.7555 -19.7031 -19.7031 -6.5503 -6.5503 -6.4243 -6.4243 -6.1036 -6.1036 -4.7517 -4.7517 -4.6410 -4.6410 -4.4862 -4.4862 -4.3820 -4.3820 -3.5831 -3.5831 -3.3917 -3.3917 -1.7201 -1.7201 -1.0405 -1.0405 1.9146 1.9146 2.6312 2.6312 2.6986 2.6986 3.4874 3.4874 4.4633 4.4633 5.1138 5.1138 5.9479 5.9479 6.0138 6.0138 6.6412 6.6412 6.9769 6.9769 7.0657 7.0657 7.4667 7.4667 8.3482 8.3482 8.8701 8.8701 9.4039 9.4039 10.0908 10.0908 10.4403 10.4403 k = 0.1346-0.0585-0.0337 ( 5225 PWs) bands (ev): -19.7550 -19.7550 -19.7035 -19.7035 -6.5516 -6.5516 -6.4344 -6.4344 -6.0945 -6.0945 -4.7590 -4.7590 -4.6391 -4.6391 -4.4799 -4.4799 -4.3710 -4.3710 -3.5894 -3.5894 -3.3958 -3.3958 -1.7129 -1.7129 -1.0464 -1.0464 1.9332 1.9332 2.6351 2.6351 2.6959 2.6959 3.5023 3.5023 4.4632 4.4632 5.0930 5.0930 5.9103 5.9103 6.0037 6.0037 6.6108 6.6108 6.9260 6.9260 7.0569 7.0569 7.4624 7.4624 8.3763 8.3763 8.8767 8.8767 9.4648 9.4648 10.1108 10.1108 10.4411 10.4411 k = 0.1538-0.0668-0.0385 ( 5227 PWs) bands (ev): -19.7545 -19.7545 -19.7040 -19.7040 -6.5533 -6.5533 -6.4449 -6.4449 -6.0848 -6.0848 -4.7666 -4.7666 -4.6371 -4.6371 -4.4722 -4.4722 -4.3597 -4.3597 -3.5976 -3.5976 -3.3989 -3.3989 -1.7050 -1.7050 -1.0530 -1.0530 1.9543 1.9543 2.6382 2.6382 2.6938 2.6938 3.5194 3.5194 4.4629 4.4629 5.0702 5.0702 5.8655 5.8655 5.9943 5.9943 6.5811 6.5811 6.8695 6.8695 7.0452 7.0452 7.4584 7.4584 8.4086 8.4086 8.8910 8.8910 9.5227 9.5227 10.1302 10.1302 10.4417 10.4417 k = 0.1731-0.0752-0.0433 ( 5231 PWs) bands (ev): -19.7540 -19.7540 -19.7045 -19.7045 -6.5554 -6.5554 -6.4553 -6.4553 -6.0750 -6.0750 -4.7743 -4.7743 -4.6350 -4.6350 -4.4637 -4.4637 -4.3482 -4.3482 -3.6077 -3.6077 -3.4008 -3.4008 -1.6967 -1.6967 -1.0603 -1.0603 1.9778 1.9778 2.6400 2.6400 2.6929 2.6929 3.5388 3.5388 4.4621 4.4621 5.0461 5.0461 5.8156 5.8156 5.9840 5.9840 6.5527 6.5527 6.8094 6.8094 7.0303 7.0303 7.4545 7.4545 8.4448 8.4448 8.9127 8.9127 9.5760 9.5760 10.1467 10.1467 10.4433 10.4433 k = 0.1923-0.0835-0.0481 ( 5235 PWs) bands (ev): -19.7534 -19.7534 -19.7051 -19.7051 -6.5580 -6.5580 -6.4654 -6.4654 -6.0651 -6.0651 -4.7822 -4.7822 -4.6325 -4.6325 -4.4546 -4.4546 -4.3366 -4.3366 -3.6198 -3.6198 -3.4013 -3.4013 -1.6881 -1.6881 -1.0681 -1.0681 2.0035 2.0035 2.6400 2.6400 2.6935 2.6935 3.5603 3.5603 4.4609 4.4609 5.0209 5.0209 5.7615 5.7615 5.9724 5.9724 6.5263 6.5263 6.7472 6.7472 7.0123 7.0123 7.4508 7.4508 8.4844 8.4844 8.9415 8.9415 9.6235 9.6235 10.1575 10.1575 10.4477 10.4477 k = 0.2115-0.0919-0.0529 ( 5238 PWs) bands (ev): -19.7528 -19.7528 -19.7057 -19.7057 -6.5612 -6.5612 -6.4749 -6.4749 -6.0552 -6.0552 -4.7902 -4.7902 -4.6293 -4.6293 -4.4454 -4.4454 -4.3251 -4.3251 -3.6336 -3.6336 -3.4004 -3.4004 -1.6793 -1.6793 -1.0762 -1.0762 2.0312 2.0312 2.6382 2.6382 2.6956 2.6956 3.5840 3.5840 4.4589 4.4589 4.9952 4.9952 5.7044 5.7044 5.9592 5.9592 6.5020 6.5020 6.6847 6.6847 6.9915 6.9915 7.4471 7.4471 8.5268 8.5268 8.9770 8.9770 9.6643 9.6643 10.1604 10.1604 10.4568 10.4568 k = 0.2308-0.1002-0.0577 ( 5239 PWs) bands (ev): -19.7521 -19.7521 -19.7064 -19.7064 -6.5651 -6.5651 -6.4835 -6.4835 -6.0456 -6.0456 -4.7981 -4.7981 -4.6253 -4.6253 -4.4365 -4.4365 -4.3136 -4.3136 -3.6488 -3.6488 -3.3982 -3.3982 -1.6705 -1.6705 -1.0847 -1.0847 2.0605 2.0605 2.6349 2.6349 2.6988 2.6988 3.6097 3.6097 4.4560 4.4560 4.9694 4.9694 5.6449 5.6449 5.9445 5.9445 6.4796 6.4796 6.6233 6.6233 6.9683 6.9683 7.4435 7.4435 8.5715 8.5715 9.0187 9.0187 9.6978 9.6978 10.1546 10.1546 10.4711 10.4711 k = 0.2500-0.1086-0.0625 ( 5245 PWs) bands (ev): -19.7514 -19.7514 -19.7071 -19.7071 -6.5698 -6.5698 -6.4910 -6.4910 -6.0362 -6.0362 -4.8059 -4.8059 -4.6204 -4.6204 -4.4283 -4.4283 -4.3023 -4.3023 -3.6650 -3.6650 -3.3949 -3.3949 -1.6619 -1.6619 -1.0933 -1.0933 2.0911 2.0911 2.6307 2.6307 2.7025 2.7025 3.6373 3.6373 4.4520 4.4520 4.9439 4.9439 5.5838 5.5838 5.9287 5.9287 6.4580 6.4580 6.5655 6.5655 6.9431 6.9431 7.4398 7.4398 8.6180 8.6180 9.0661 9.0661 9.7236 9.7236 10.1406 10.1406 10.4848 10.4848 k = 0.2692-0.1169-0.0673 ( 5246 PWs) bands (ev): -19.7507 -19.7507 -19.7078 -19.7078 -6.5751 -6.5751 -6.4975 -6.4975 -6.0272 -6.0272 -4.8135 -4.8135 -4.6147 -4.6147 -4.4211 -4.4211 -4.2911 -4.2911 -3.6818 -3.6818 -3.3906 -3.3906 -1.6536 -1.6536 -1.1019 -1.1019 2.1227 2.1227 2.6261 2.6261 2.7062 2.7062 3.6668 3.6668 4.4465 4.4465 4.9191 4.9191 5.5219 5.5219 5.9120 5.9120 6.4336 6.4336 6.5156 6.5156 6.9164 6.9164 7.4361 7.4361 8.6655 8.6655 9.1187 9.1187 9.7419 9.7419 10.1206 10.1206 10.4694 10.4694 k = 0.2885-0.1253-0.0722 ( 5248 PWs) bands (ev): -19.7499 -19.7499 -19.7086 -19.7086 -6.5810 -6.5810 -6.5028 -6.5028 -6.0186 -6.0186 -4.8208 -4.8208 -4.6081 -4.6081 -4.4151 -4.4151 -4.2803 -4.2803 -3.6987 -3.6987 -3.3856 -3.3856 -1.6457 -1.6457 -1.1104 -1.1104 2.1548 2.1548 2.6217 2.6217 2.7094 2.7094 3.6979 3.6979 4.4394 4.4394 4.8957 4.8957 5.4599 5.4599 5.8950 5.8950 6.4003 6.4003 6.4803 6.4803 6.8887 6.8887 7.4325 7.4325 8.7135 8.7135 9.1756 9.1756 9.7530 9.7530 10.0967 10.0967 10.4335 10.4335 k = 0.3077-0.1336-0.0770 ( 5256 PWs) bands (ev): -19.7492 -19.7492 -19.7093 -19.7093 -6.5872 -6.5872 -6.5072 -6.5072 -6.0105 -6.0105 -4.8278 -4.8278 -4.6007 -4.6007 -4.4104 -4.4104 -4.2698 -4.2698 -3.7155 -3.7155 -3.3802 -3.3802 -1.6383 -1.6383 -1.1186 -1.1186 2.1870 2.1870 2.6176 2.6176 2.7119 2.7119 3.7305 3.7305 4.4303 4.4303 4.8739 4.8739 5.3986 5.3986 5.8782 5.8782 6.3578 6.3578 6.4604 6.4604 6.8605 6.8605 7.4290 7.4290 8.7615 8.7615 9.2362 9.2362 9.7576 9.7576 10.0709 10.0709 10.3938 10.3938 k = 0.3269-0.1420-0.0818 ( 5255 PWs) bands (ev): -19.7484 -19.7484 -19.7100 -19.7100 -6.5936 -6.5936 -6.5106 -6.5106 -6.0031 -6.0031 -4.8343 -4.8343 -4.5925 -4.5925 -4.4073 -4.4073 -4.2599 -4.2599 -3.7316 -3.7316 -3.3745 -3.3745 -1.6316 -1.6316 -1.1264 -1.1264 2.2185 2.2185 2.6144 2.6144 2.7134 2.7134 3.7643 3.7643 4.4190 4.4190 4.8542 4.8542 5.3388 5.3388 5.8619 5.8619 6.3128 6.3128 6.4495 6.4495 6.8322 6.8322 7.4257 7.4257 8.8088 8.8088 9.2995 9.2995 9.7567 9.7567 10.0447 10.0447 10.3527 10.3527 k = 0.3462-0.1503-0.0866 ( 5258 PWs) bands (ev): -19.7477 -19.7477 -19.7107 -19.7107 -6.5998 -6.5998 -6.5134 -6.5134 -5.9962 -5.9962 -4.8404 -4.8404 -4.5837 -4.5837 -4.4057 -4.4057 -4.2506 -4.2506 -3.7468 -3.7468 -3.3688 -3.3688 -1.6255 -1.6255 -1.1337 -1.1337 2.2488 2.2488 2.6124 2.6124 2.7137 2.7137 3.7990 3.7990 4.4054 4.4054 4.8370 4.8370 5.2812 5.2812 5.8466 5.8466 6.2696 6.2696 6.4435 6.4435 6.8044 6.8044 7.4227 7.4227 8.8548 8.8548 9.3644 9.3644 9.7513 9.7513 10.0191 10.0191 10.3107 10.3107 k = 0.3654-0.1587-0.0914 ( 5254 PWs) bands (ev): -19.7470 -19.7470 -19.7114 -19.7114 -6.6057 -6.6057 -6.5156 -6.5156 -5.9900 -5.9900 -4.8458 -4.8458 -4.5745 -4.5745 -4.4056 -4.4056 -4.2420 -4.2420 -3.7608 -3.7608 -3.3632 -3.3632 -1.6201 -1.6201 -1.1404 -1.1404 2.2772 2.2772 2.6119 2.6119 2.7126 2.7126 3.8342 3.8342 4.3894 4.3894 4.8227 4.8227 5.2266 5.2266 5.8327 5.8327 6.2299 6.2299 6.4406 6.4406 6.7775 6.7775 7.4199 7.4199 8.8990 8.8990 9.4295 9.4295 9.7431 9.7431 9.9949 9.9949 10.2685 10.2685 k = 0.3846-0.1670-0.0962 ( 5252 PWs) bands (ev): -19.7464 -19.7464 -19.7121 -19.7121 -6.6112 -6.6112 -6.5173 -6.5173 -5.9845 -5.9845 -4.8507 -4.8507 -4.5650 -4.5650 -4.4068 -4.4068 -4.2343 -4.2343 -3.7734 -3.7734 -3.3580 -3.3580 -1.6154 -1.6154 -1.1463 -1.1463 2.3030 2.3030 2.6132 2.6132 2.7101 2.7101 3.8695 3.8695 4.3712 4.3712 4.8114 4.8114 5.1760 5.1760 5.8202 5.8202 6.1947 6.1947 6.4399 6.4399 6.7521 6.7521 7.4174 7.4174 8.9405 8.9405 9.4930 9.4930 9.7337 9.7337 9.9729 9.9729 10.2262 10.2262 k = 0.4038-0.1754-0.1010 ( 5251 PWs) bands (ev): -19.7458 -19.7458 -19.7126 -19.7126 -6.6160 -6.6160 -6.5186 -6.5186 -5.9798 -5.9798 -4.8548 -4.8548 -4.5556 -4.5556 -4.4092 -4.4092 -4.2276 -4.2276 -3.7843 -3.7843 -3.3533 -3.3533 -1.6115 -1.6115 -1.1515 -1.1515 2.3256 2.3256 2.6166 2.6166 2.7062 2.7062 3.9040 3.9040 4.3512 4.3512 4.8032 4.8032 5.1301 5.1301 5.8096 5.8096 6.1645 6.1645 6.4409 6.4409 6.7287 6.7287 7.4153 7.4153 8.9786 8.9786 9.5517 9.5517 9.7262 9.7262 9.9533 9.9533 10.1844 10.1844 k = 0.4231-0.1837-0.1058 ( 5250 PWs) bands (ev): -19.7453 -19.7453 -19.7131 -19.7131 -6.6200 -6.6200 -6.5197 -6.5197 -5.9760 -5.9760 -4.8583 -4.8583 -4.5467 -4.5467 -4.4124 -4.4124 -4.2220 -4.2220 -3.7933 -3.7933 -3.3492 -3.3492 -1.6083 -1.6083 -1.1558 -1.1558 2.3443 2.3443 2.6221 2.6221 2.7007 2.7007 3.9370 3.9370 4.3303 4.3303 4.7980 4.7980 5.0900 5.0900 5.8007 5.8007 6.1395 6.1395 6.4430 6.4430 6.7080 6.7080 7.4135 7.4135 9.0122 9.0122 9.5995 9.5995 9.7266 9.7266 9.9365 9.9365 10.1436 10.1436 k = 0.4423-0.1921-0.1106 ( 5250 PWs) bands (ev): -19.7449 -19.7449 -19.7135 -19.7135 -6.6233 -6.6233 -6.5204 -6.5204 -5.9729 -5.9729 -4.8610 -4.8610 -4.5387 -4.5387 -4.4160 -4.4160 -4.2176 -4.2176 -3.8005 -3.8005 -3.3459 -3.3459 -1.6059 -1.6059 -1.1592 -1.1592 2.3589 2.3589 2.6293 2.6293 2.6939 2.6939 3.9669 3.9669 4.3097 4.3097 4.7952 4.7952 5.0568 5.0568 5.7938 5.7938 6.1199 6.1199 6.4456 6.4456 6.6907 6.6907 7.4121 7.4121 9.0402 9.0402 9.6270 9.6270 9.7439 9.7439 9.9226 9.9226 10.1047 10.1047 k = 0.4615-0.2004-0.1154 ( 5257 PWs) bands (ev): -19.7446 -19.7446 -19.7138 -19.7138 -6.6256 -6.6256 -6.5209 -6.5209 -5.9707 -5.9707 -4.8630 -4.8630 -4.5321 -4.5321 -4.4193 -4.4193 -4.2144 -4.2144 -3.8056 -3.8056 -3.3435 -3.3435 -1.6042 -1.6042 -1.1616 -1.1616 2.3693 2.3693 2.6378 2.6378 2.6862 2.6862 3.9918 3.9918 4.2915 4.2915 4.7942 4.7942 5.0316 5.0316 5.7889 5.7889 6.1059 6.1059 6.4482 6.4482 6.6776 6.6776 7.4111 7.4111 9.0615 9.0615 9.6347 9.6347 9.7760 9.7760 9.9112 9.9112 10.0699 10.0699 k = 0.4808-0.2088-0.1203 ( 5256 PWs) bands (ev): -19.7444 -19.7444 -19.7140 -19.7140 -6.6271 -6.6271 -6.5213 -6.5213 -5.9694 -5.9694 -4.8642 -4.8642 -4.5278 -4.5278 -4.4217 -4.4217 -4.2125 -4.2125 -3.8087 -3.8087 -3.3420 -3.3420 -1.6031 -1.6031 -1.1631 -1.1631 2.3755 2.3755 2.6460 2.6460 2.6787 2.6787 4.0087 4.0087 4.2786 4.2786 4.7942 4.7942 5.0158 5.0158 5.7859 5.7859 6.0974 6.0974 6.4500 6.4500 6.6693 6.6693 7.4105 7.4105 9.0748 9.0748 9.6348 9.6348 9.8070 9.8070 9.9023 9.9023 10.0436 10.0436 k = 0.5000-0.2171-0.1251 ( 5252 PWs) bands (ev): -19.7444 -19.7444 -19.7141 -19.7141 -6.6276 -6.6276 -6.5214 -6.5214 -5.9689 -5.9689 -4.8646 -4.8646 -4.5263 -4.5263 -4.4226 -4.4226 -4.2118 -4.2118 -3.8098 -3.8098 -3.3415 -3.3415 -1.6028 -1.6028 -1.1636 -1.1636 2.3775 2.3775 2.6501 2.6501 2.6748 2.6748 4.0148 4.0148 4.2738 4.2738 4.7943 4.7943 5.0104 5.0104 5.7849 5.7849 6.0946 6.0946 6.4507 6.4507 6.6665 6.6665 7.4103 7.4103 9.0794 9.0794 9.6342 9.6342 9.8206 9.8206 9.8982 9.8982 10.0333 10.0333 k = 0.5000-0.2171 0.6696 ( 5246 PWs) bands (ev): -19.7340 -19.7340 -19.7084 -19.7084 -6.5402 -6.5402 -6.5359 -6.5359 -5.3639 -5.3639 -5.2146 -5.2146 -4.7303 -4.7303 -4.6157 -4.6157 -4.3363 -4.3363 -4.3020 -4.3020 -3.2352 -3.2352 -1.3437 -1.3437 -0.5381 -0.5381 0.3231 0.3231 2.9060 2.9060 3.2829 3.2829 3.7941 3.7941 3.8568 3.8568 5.1689 5.1689 5.4656 5.4656 5.8249 5.8249 5.9282 5.9282 6.2113 6.2113 7.0776 7.0776 7.3475 7.3475 9.6451 9.6451 10.3674 10.3674 10.5492 10.5492 10.7399 10.7399 11.1056 11.1056 k = 0.4872-0.2116 0.6524 ( 5249 PWs) bands (ev): -19.7340 -19.7340 -19.7084 -19.7084 -6.5407 -6.5407 -6.5354 -6.5354 -5.3734 -5.3734 -5.2043 -5.2043 -4.7297 -4.7297 -4.6156 -4.6156 -4.3375 -4.3375 -4.3008 -4.3008 -3.2366 -3.2366 -1.3437 -1.3437 -0.5409 -0.5409 0.3272 0.3272 2.9045 2.9045 3.2843 3.2843 3.7965 3.7965 3.8564 3.8564 5.1653 5.1653 5.4670 5.4670 5.8242 5.8242 5.9313 5.9313 6.2124 6.2124 7.0747 7.0747 7.3491 7.3491 9.6442 9.6442 10.3645 10.3645 10.5335 10.5335 10.7399 10.7399 11.1038 11.1038 k = 0.4744-0.2060 0.6353 ( 5255 PWs) bands (ev): -19.7342 -19.7342 -19.7083 -19.7083 -6.5417 -6.5417 -6.5343 -6.5343 -5.3964 -5.3964 -5.1790 -5.1790 -4.7276 -4.7276 -4.6153 -4.6153 -4.3407 -4.3407 -4.2976 -4.2976 -3.2408 -3.2408 -1.3438 -1.3438 -0.5489 -0.5489 0.3395 0.3395 2.9004 2.9004 3.2885 3.2885 3.8036 3.8036 3.8552 3.8552 5.1550 5.1550 5.4708 5.4708 5.8222 5.8222 5.9405 5.9405 6.2158 6.2158 7.0664 7.0664 7.3533 7.3533 9.6413 9.6413 10.3558 10.3558 10.4908 10.4908 10.7381 10.7381 11.0977 11.0977 k = 0.4615-0.2004 0.6181 ( 5255 PWs) bands (ev): -19.7344 -19.7344 -19.7082 -19.7082 -6.5430 -6.5430 -6.5330 -6.5330 -5.4256 -5.4256 -5.1460 -5.1460 -4.7242 -4.7242 -4.6148 -4.6148 -4.3451 -4.3451 -4.2932 -4.2932 -3.2478 -3.2478 -1.3439 -1.3439 -0.5619 -0.5619 0.3593 0.3593 2.8939 2.8939 3.2952 3.2952 3.8149 3.8149 3.8535 3.8535 5.1388 5.1388 5.4767 5.4767 5.8187 5.8187 5.9555 5.9555 6.2212 6.2212 7.0537 7.0537 7.3592 7.3592 9.6361 9.6361 10.3410 10.3410 10.4302 10.4302 10.7326 10.7326 11.0864 11.0864 k = 0.4487-0.1949 0.6009 ( 5255 PWs) bands (ev): -19.7347 -19.7347 -19.7081 -19.7081 -6.5444 -6.5444 -6.5316 -6.5316 -5.4570 -5.4570 -5.1097 -5.1097 -4.7194 -4.7194 -4.6140 -4.6140 -4.3501 -4.3501 -4.2880 -4.2880 -3.2575 -3.2575 -1.3439 -1.3439 -0.5792 -0.5792 0.3862 0.3862 2.8855 2.8855 3.3038 3.3038 3.8279 3.8279 3.8534 3.8534 5.1180 5.1180 5.4841 5.4841 5.8137 5.8137 5.9762 5.9762 6.2286 6.2286 7.0381 7.0381 7.3656 7.3656 9.6282 9.6282 10.3187 10.3187 10.3618 10.3618 10.7228 10.7228 11.0698 11.0698 k = 0.4359-0.1893 0.5838 ( 5260 PWs) bands (ev): -19.7352 -19.7352 -19.7079 -19.7079 -6.5458 -6.5458 -6.5301 -6.5301 -5.4889 -5.4889 -5.0719 -5.0719 -4.7132 -4.7132 -4.6127 -4.6127 -4.3554 -4.3554 -4.2825 -4.2825 -3.2695 -3.2695 -1.3439 -1.3439 -0.6004 -0.6004 0.4192 0.4192 2.8756 2.8756 3.3138 3.3138 3.8332 3.8332 3.8640 3.8640 5.0940 5.0940 5.4926 5.4926 5.8072 5.8072 6.0019 6.0019 6.2377 6.2377 7.0208 7.0208 7.3715 7.3715 9.6168 9.6168 10.2709 10.2709 10.3092 10.3092 10.7087 10.7087 11.0491 11.0491 k = 0.4231-0.1837 0.5666 ( 5254 PWs) bands (ev): -19.7356 -19.7356 -19.7077 -19.7077 -6.5472 -6.5472 -6.5285 -6.5285 -5.5205 -5.5205 -5.0338 -5.0338 -4.7056 -4.7056 -4.6106 -4.6106 -4.3608 -4.3608 -4.2766 -4.2766 -3.2839 -3.2839 -1.3437 -1.3437 -0.6247 -0.6247 0.4577 0.4577 2.8648 2.8648 3.3246 3.3246 3.8285 3.8285 3.8871 3.8871 5.0680 5.0680 5.5020 5.5020 5.7993 5.7993 6.0323 6.0323 6.2483 6.2483 7.0029 7.0029 7.3759 7.3759 9.6012 9.6012 10.1966 10.1966 10.2782 10.2782 10.6907 10.6907 11.0263 11.0263 k = 0.4103-0.1782 0.5494 ( 5252 PWs) bands (ev): -19.7362 -19.7362 -19.7075 -19.7075 -6.5486 -6.5486 -6.5270 -6.5270 -5.5515 -5.5515 -4.9963 -4.9963 -4.6968 -4.6968 -4.6074 -4.6074 -4.3661 -4.3661 -4.2705 -4.2705 -3.3002 -3.3002 -1.3433 -1.3433 -0.6517 -0.6517 0.5008 0.5008 2.8536 2.8536 3.3358 3.3358 3.8193 3.8193 3.9165 3.9165 5.0412 5.0412 5.5121 5.5121 5.7899 5.7899 6.0668 6.0668 6.2602 6.2602 6.9854 6.9854 7.3783 7.3783 9.5808 9.5808 10.1195 10.1195 10.2487 10.2487 10.6692 10.6692 11.0029 11.0029 k = 0.3974-0.1726 0.5323 ( 5253 PWs) bands (ev): -19.7368 -19.7368 -19.7072 -19.7072 -6.5500 -6.5500 -6.5254 -6.5254 -5.5817 -5.5817 -4.9603 -4.9603 -4.6873 -4.6873 -4.6024 -4.6024 -4.3713 -4.3713 -4.2642 -4.2642 -3.3183 -3.3183 -1.3425 -1.3425 -0.6809 -0.6809 0.5479 0.5479 2.8422 2.8422 3.3468 3.3468 3.8069 3.8069 3.9504 3.9504 5.0148 5.0148 5.5229 5.5229 5.7792 5.7792 6.1049 6.1049 6.2731 6.2731 6.9690 6.9690 7.3784 7.3784 9.5549 9.5549 10.0434 10.0434 10.2198 10.2198 10.6444 10.6444 10.9788 10.9788 k = 0.3846-0.1670 0.5151 ( 5254 PWs) bands (ev): -19.7375 -19.7375 -19.7069 -19.7069 -6.5512 -6.5512 -6.5237 -6.5237 -5.6110 -5.6110 -4.9264 -4.9264 -4.6777 -4.6777 -4.5945 -4.5945 -4.3762 -4.3762 -4.2574 -4.2574 -3.3379 -3.3379 -1.3412 -1.3412 -0.7119 -0.7119 0.5982 0.5982 2.8311 2.8311 3.3573 3.3573 3.7912 3.7912 3.9879 3.9879 4.9897 4.9897 5.5342 5.5342 5.7670 5.7670 6.1462 6.1462 6.2870 6.2870 6.9543 6.9543 7.3760 7.3760 9.5237 9.5237 9.9689 9.9689 10.1932 10.1932 10.6163 10.6163 10.9525 10.9525 k = 0.3718-0.1615 0.4979 ( 5248 PWs) bands (ev): -19.7382 -19.7382 -19.7067 -19.7067 -6.5524 -6.5524 -6.5219 -6.5219 -5.6393 -5.6393 -4.8953 -4.8953 -4.6691 -4.6691 -4.5827 -4.5827 -4.3807 -4.3807 -4.2502 -4.2502 -3.3585 -3.3585 -1.3394 -1.3394 -0.7445 -0.7445 0.6513 0.6513 2.8205 2.8205 3.3671 3.3671 3.7719 3.7719 4.0288 4.0288 4.9668 4.9668 5.5462 5.5462 5.7536 5.7536 6.1899 6.1899 6.3019 6.3019 6.9418 6.9418 7.3711 7.3711 9.4878 9.4878 9.8953 9.8953 10.1707 10.1707 10.5851 10.5851 10.9212 10.9212 k = 0.3590-0.1559 0.4807 ( 5251 PWs) bands (ev): -19.7390 -19.7390 -19.7064 -19.7064 -6.5535 -6.5535 -6.5201 -6.5201 -5.6665 -5.6665 -4.8675 -4.8675 -4.6622 -4.6622 -4.5666 -4.5666 -4.3847 -4.3847 -4.2421 -4.2421 -3.3798 -3.3798 -1.3370 -1.3370 -0.7785 -0.7785 0.7066 0.7066 2.8105 2.8105 3.3757 3.3757 3.7489 3.7489 4.0725 4.0725 4.9468 4.9468 5.5588 5.5588 5.7391 5.7391 6.2351 6.2351 6.3183 6.3183 6.9317 6.9317 7.3639 7.3639 9.4486 9.4486 9.8218 9.8218 10.1539 10.1539 10.5507 10.5507 10.8815 10.8815 k = 0.3462-0.1503 0.4636 ( 5253 PWs) bands (ev): -19.7398 -19.7398 -19.7061 -19.7061 -6.5545 -6.5545 -6.5183 -6.5183 -5.6928 -5.6928 -4.8430 -4.8430 -4.6571 -4.6571 -4.5468 -4.5468 -4.3880 -4.3880 -4.2328 -4.2328 -3.4016 -3.4016 -1.3339 -1.3339 -0.8137 -0.8137 0.7636 0.7636 2.8012 2.8012 3.3831 3.3831 3.7218 3.7218 4.1187 4.1187 4.9302 4.9302 5.5720 5.5720 5.7238 5.7238 6.2796 6.2796 6.3379 6.3379 6.9244 6.9244 7.3545 7.3545 9.4076 9.4076 9.7481 9.7481 10.1432 10.1432 10.5129 10.5129 10.8314 10.8314 k = 0.3333-0.1448 0.4464 ( 5256 PWs) bands (ev): -19.7406 -19.7406 -19.7058 -19.7058 -6.5554 -6.5554 -6.5163 -6.5163 -5.7181 -5.7181 -4.8217 -4.8217 -4.6536 -4.6536 -4.5249 -4.5249 -4.3901 -4.3901 -4.2216 -4.2216 -3.4233 -3.4233 -1.3300 -1.3300 -0.8499 -0.8499 0.8220 0.8220 2.7929 2.7929 3.3891 3.3891 3.6907 3.6907 4.1670 4.1670 4.9173 4.9173 5.5853 5.5853 5.7080 5.7080 6.3173 6.3173 6.3663 6.3663 6.9201 6.9201 7.3432 7.3432 9.3661 9.3661 9.6742 9.6742 10.1386 10.1386 10.4713 10.4713 10.7720 10.7720 k = 0.3205-0.1392 0.4292 ( 5255 PWs) bands (ev): -19.7415 -19.7415 -19.7055 -19.7055 -6.5561 -6.5561 -6.5142 -6.5142 -5.7425 -5.7425 -4.8035 -4.8035 -4.6510 -4.6510 -4.5035 -4.5035 -4.3905 -4.3905 -4.2079 -4.2079 -3.4446 -3.4446 -1.3253 -1.3253 -0.8870 -0.8870 0.8812 0.8812 2.7854 2.7854 3.3937 3.3937 3.6555 3.6555 4.2169 4.2169 4.9082 4.9082 5.5984 5.5984 5.6928 5.6928 6.3433 6.3433 6.4081 6.4081 6.9188 6.9188 7.3304 7.3304 9.3248 9.3248 9.6013 9.6013 10.1393 10.1393 10.4254 10.4254 10.7067 10.7067 k = 0.3077-0.1336 0.4121 ( 5251 PWs) bands (ev): -19.7424 -19.7424 -19.7052 -19.7052 -6.5566 -6.5566 -6.5119 -6.5119 -5.7661 -5.7661 -4.7878 -4.7878 -4.6489 -4.6489 -4.4853 -4.4853 -4.3885 -4.3885 -4.1906 -4.1906 -3.4651 -3.4651 -1.3198 -1.3198 -0.9250 -0.9250 0.9410 0.9410 2.7788 2.7788 3.3967 3.3967 3.6165 3.6165 4.2680 4.2680 4.9026 4.9026 5.6095 5.6095 5.6802 5.6802 6.3628 6.3628 6.4575 6.4575 6.9208 6.9208 7.3163 7.3163 9.2832 9.2832 9.5314 9.5314 10.1440 10.1440 10.3750 10.3750 10.6398 10.6398 k = 0.2949-0.1281 0.3949 ( 5249 PWs) bands (ev): -19.7433 -19.7433 -19.7050 -19.7050 -6.5570 -6.5570 -6.5095 -6.5095 -5.7888 -5.7888 -4.7745 -4.7745 -4.6470 -4.6470 -4.4725 -4.4725 -4.3837 -4.3837 -4.1689 -4.1689 -3.4845 -3.4845 -1.3134 -1.3134 -0.9636 -0.9636 1.0010 1.0010 2.7731 2.7731 3.3982 3.3982 3.5741 3.5741 4.3198 4.3198 4.9001 4.9001 5.6150 5.6150 5.6745 5.6745 6.3804 6.3804 6.5095 6.5095 6.9260 6.9260 7.3015 7.3015 9.2389 9.2389 9.4684 9.4684 10.1502 10.1502 10.3210 10.3210 10.5750 10.5750 k = 0.2821-0.1225 0.3777 ( 5248 PWs) bands (ev): -19.7442 -19.7442 -19.7047 -19.7047 -6.5571 -6.5571 -6.5068 -6.5068 -5.8108 -5.8108 -4.7632 -4.7632 -4.6450 -4.6450 -4.4655 -4.4655 -4.3772 -4.3772 -4.1422 -4.1422 -3.5024 -3.5024 -1.3061 -1.3061 -1.0028 -1.0028 1.0608 1.0608 2.7682 2.7682 3.3981 3.3981 3.5288 3.5288 4.3720 4.3720 4.8998 4.8998 5.6117 5.6117 5.6797 5.6797 6.3976 6.3976 6.5621 6.5621 6.9347 6.9347 7.2864 7.2864 9.1883 9.1883 9.4167 9.4167 10.1517 10.1517 10.2682 10.2682 10.5149 10.5149 k = 0.2692-0.1169 0.3606 ( 5247 PWs) bands (ev): -19.7451 -19.7451 -19.7044 -19.7044 -6.5571 -6.5571 -6.5040 -6.5040 -5.8321 -5.8321 -4.7537 -4.7537 -4.6427 -4.6427 -4.4632 -4.4632 -4.3706 -4.3706 -4.1105 -4.1105 -3.5185 -3.5185 -1.2983 -1.2983 -1.0422 -1.0422 1.1202 1.1202 2.7641 2.7641 3.3955 3.3955 3.4821 3.4821 4.4242 4.4242 4.9007 4.9007 5.6033 5.6033 5.6930 5.6930 6.4149 6.4149 6.6139 6.6139 6.9468 6.9468 7.2717 7.2717 9.1287 9.1287 9.3796 9.3796 10.1305 10.1305 10.2338 10.2338 10.4608 10.4608 k = 0.2564-0.1114 0.3434 ( 5246 PWs) bands (ev): -19.7460 -19.7460 -19.7042 -19.7042 -6.5569 -6.5569 -6.5008 -6.5008 -5.8528 -5.8528 -4.7460 -4.7460 -4.6400 -4.6400 -4.4640 -4.4640 -4.3654 -4.3654 -4.0746 -4.0746 -3.5325 -3.5325 -1.2902 -1.2902 -1.0814 -1.0814 1.1788 1.1788 2.7606 2.7606 3.3868 3.3868 3.4383 3.4383 4.4759 4.4759 4.9014 4.9014 5.5949 5.5949 5.7103 5.7103 6.4327 6.4327 6.6639 6.6639 6.9623 6.9623 7.2580 7.2580 9.0607 9.0607 9.3565 9.3565 10.0760 10.0760 10.2283 10.2283 10.4137 10.4137 k = 0.2436-0.1058 0.3262 ( 5244 PWs) bands (ev): -19.7468 -19.7468 -19.7040 -19.7040 -6.5566 -6.5566 -6.4974 -6.4974 -5.8730 -5.8730 -4.7398 -4.7398 -4.6369 -4.6369 -4.4668 -4.4668 -4.3623 -4.3623 -4.0353 -4.0353 -3.5442 -3.5442 -1.2826 -1.2826 -1.1196 -1.1196 1.2363 1.2363 2.7578 2.7578 3.3572 3.3572 3.4127 3.4127 4.5270 4.5270 4.9005 4.9005 5.5896 5.5896 5.7298 5.7298 6.4511 6.4511 6.7112 6.7112 6.9812 6.9812 7.2462 7.2462 8.9872 8.9872 9.3441 9.3441 10.0064 10.0064 10.2324 10.2324 10.3751 10.3751 k = 0.2308-0.1002 0.3091 ( 5239 PWs) bands (ev): -19.7477 -19.7477 -19.7037 -19.7037 -6.5561 -6.5561 -6.4936 -6.4936 -5.8926 -5.8926 -4.7350 -4.7350 -4.6333 -4.6333 -4.4708 -4.4708 -4.3612 -4.3612 -3.9936 -3.9936 -3.5535 -3.5535 -1.2775 -1.2775 -1.1547 -1.1547 1.2925 1.2925 2.7554 2.7554 3.3087 3.3087 3.4043 3.4043 4.5772 4.5772 4.8965 4.8965 5.5892 5.5892 5.7508 5.7508 6.4702 6.4702 6.7549 6.7549 7.0028 7.0028 7.2376 7.2376 8.9110 8.9110 9.3384 9.3384 9.9323 9.9323 10.2328 10.2328 10.3479 10.3479 k = 0.2179-0.0947 0.2919 ( 5232 PWs) bands (ev): -19.7486 -19.7486 -19.7035 -19.7035 -6.5555 -6.5555 -6.4894 -6.4894 -5.9118 -5.9118 -4.7314 -4.7314 -4.6295 -4.6295 -4.4756 -4.4756 -4.3620 -4.3620 -3.9506 -3.9506 -3.5602 -3.5602 -1.2800 -1.2800 -1.1815 -1.1815 1.3471 1.3471 2.7533 2.7533 3.2549 3.2549 3.4003 3.4003 4.6265 4.6265 4.8882 4.8882 5.5951 5.5951 5.7727 5.7727 6.4900 6.4900 6.7943 6.7943 7.0259 7.0259 7.2336 7.2336 8.8342 8.8342 9.3358 9.3358 9.8579 9.8579 10.2233 10.2233 10.3354 10.3354 k = 0.2051-0.0891 0.2747 ( 5225 PWs) bands (ev): -19.7494 -19.7494 -19.7033 -19.7033 -6.5549 -6.5549 -6.4847 -6.4847 -5.9305 -5.9305 -4.7289 -4.7289 -4.6257 -4.6257 -4.4809 -4.4809 -4.3642 -4.3642 -3.9071 -3.9071 -3.5643 -3.5643 -1.2970 -1.2970 -1.1931 -1.1931 1.4000 1.4000 2.7515 2.7515 3.1994 3.1994 3.3976 3.3976 4.6746 4.6746 4.8747 4.8747 5.6077 5.6077 5.7954 5.7954 6.5104 6.5104 6.8295 6.8295 7.0482 7.0482 7.2362 7.2362 8.7585 8.7585 9.3328 9.3328 9.7856 9.7856 10.2053 10.2053 10.3352 10.3352 k = 0.1923-0.0835 0.2575 ( 5227 PWs) bands (ev): -19.7502 -19.7502 -19.7031 -19.7031 -6.5541 -6.5541 -6.4796 -6.4796 -5.9489 -5.9489 -4.7272 -4.7272 -4.6220 -4.6220 -4.4864 -4.4864 -4.3675 -4.3675 -3.8637 -3.8637 -3.5657 -3.5657 -1.3273 -1.3273 -1.1906 -1.1906 1.4508 1.4508 2.7497 2.7497 3.1435 3.1435 3.3957 3.3957 4.7215 4.7215 4.8558 4.8558 5.6270 5.6270 5.8188 5.8188 6.5315 6.5315 6.8607 6.8607 7.0670 7.0670 7.2472 7.2472 8.6851 8.6851 9.3258 9.3258 9.7172 9.7172 10.1843 10.1843 10.3421 10.3421 k = 0.1795-0.0780 0.2404 ( 5226 PWs) bands (ev): -19.7510 -19.7510 -19.7030 -19.7030 -6.5534 -6.5534 -6.4740 -6.4740 -5.9669 -5.9669 -4.7261 -4.7261 -4.6190 -4.6190 -4.4918 -4.4918 -4.3716 -4.3716 -3.8212 -3.8212 -3.5644 -3.5644 -1.3639 -1.3639 -1.1808 -1.1808 1.4994 1.4994 2.7479 2.7479 3.0879 3.0879 3.3948 3.3948 4.7669 4.7669 4.8322 4.8322 5.6523 5.6523 5.8425 5.8425 6.5530 6.5530 6.8885 6.8885 7.0809 7.0809 7.2670 7.2670 8.6150 8.6150 9.3119 9.3119 9.6543 9.6543 10.1636 10.1636 10.3534 10.3534 k = 0.1667-0.0724 0.2232 ( 5229 PWs) bands (ev): -19.7517 -19.7517 -19.7028 -19.7028 -6.5526 -6.5526 -6.4680 -6.4680 -5.9845 -5.9845 -4.7255 -4.7255 -4.6168 -4.6168 -4.4967 -4.4967 -4.3763 -4.3763 -3.7803 -3.7803 -3.5603 -3.5603 -1.4029 -1.4029 -1.1677 -1.1677 1.5456 1.5456 2.7459 2.7459 3.0332 3.0332 3.3947 3.3947 4.7977 4.7977 4.8176 4.8176 5.6825 5.6825 5.8665 5.8665 6.5748 6.5748 6.9135 6.9135 7.0900 7.0900 7.2938 7.2938 8.5493 8.5493 9.2890 9.2890 9.5977 9.5977 10.1442 10.1442 10.3688 10.3688 k = 0.1538-0.0668 0.2060 ( 5231 PWs) bands (ev): -19.7524 -19.7524 -19.7027 -19.7027 -6.5518 -6.5518 -6.4614 -6.4614 -6.0016 -6.0016 -4.7252 -4.7252 -4.6157 -4.6157 -4.5009 -4.5009 -4.3813 -4.3813 -3.7419 -3.7419 -3.5533 -3.5533 -1.4425 -1.4425 -1.1529 -1.1529 1.5892 1.5892 2.7437 2.7437 2.9799 2.9799 3.3958 3.3958 4.7694 4.7694 4.8574 4.8574 5.7163 5.7163 5.8906 5.8906 6.5966 6.5966 6.9360 6.9360 7.0962 7.0962 7.3247 7.3247 8.4888 8.4888 9.2570 9.2570 9.5473 9.5473 10.1261 10.1261 10.3886 10.3886 k = 0.1410-0.0612 0.1889 ( 5229 PWs) bands (ev): -19.7530 -19.7530 -19.7025 -19.7025 -6.5511 -6.5511 -6.4545 -6.4545 -6.0184 -6.0184 -4.7251 -4.7251 -4.6160 -4.6160 -4.5041 -4.5041 -4.3864 -4.3864 -3.7069 -3.7069 -3.5430 -3.5430 -1.4818 -1.4818 -1.1374 -1.1374 1.6302 1.6302 2.7411 2.7411 2.9286 2.9286 3.3978 3.3978 4.7351 4.7351 4.8994 4.8994 5.7524 5.7524 5.9146 5.9146 6.6181 6.6181 6.9564 6.9564 7.1010 7.1010 7.3566 7.3566 8.4345 8.4345 9.2176 9.2176 9.5016 9.5016 10.1088 10.1088 10.4121 10.4121 k = 0.1282-0.0557 0.1717 ( 5230 PWs) bands (ev): -19.7537 -19.7537 -19.7024 -19.7024 -6.5505 -6.5505 -6.4471 -6.4471 -6.0347 -6.0347 -4.7252 -4.7252 -4.6177 -4.6177 -4.5061 -4.5061 -4.3915 -4.3915 -3.6762 -3.6762 -3.5293 -3.5293 -1.5201 -1.5201 -1.1216 -1.1216 1.6682 1.6682 2.7381 2.7381 2.8797 2.8797 3.4010 3.4010 4.6993 4.6993 4.9402 4.9402 5.7893 5.7893 5.9382 5.9382 6.6390 6.6390 6.9748 6.9748 7.1055 7.1055 7.3873 7.3873 8.3873 8.3873 9.1740 9.1740 9.4585 9.4585 10.0925 10.0925 10.4371 10.4371 k = 0.1154-0.0501 0.1545 ( 5231 PWs) bands (ev): -19.7542 -19.7542 -19.7023 -19.7023 -6.5499 -6.5499 -6.4395 -6.4395 -6.0504 -6.0504 -4.7252 -4.7252 -4.6207 -4.6207 -4.5069 -4.5069 -4.3965 -4.3965 -3.6505 -3.6505 -3.5120 -3.5120 -1.5569 -1.5569 -1.1060 -1.1060 1.7033 1.7033 2.7347 2.7347 2.8337 2.8337 3.4052 3.4052 4.6630 4.6630 4.9793 4.9793 5.8259 5.8259 5.9614 5.9614 6.6592 6.6592 6.9912 6.9912 7.1101 7.1101 7.4149 7.4149 8.3479 8.3479 9.1293 9.1293 9.4163 9.4163 10.0773 10.0773 10.4603 10.4603 k = 0.1026-0.0445 0.1374 ( 5231 PWs) bands (ev): -19.7547 -19.7547 -19.7022 -19.7022 -6.5493 -6.5493 -6.4317 -6.4317 -6.0654 -6.0654 -4.7253 -4.7253 -4.6248 -4.6248 -4.5067 -4.5067 -4.4013 -4.4013 -3.6298 -3.6298 -3.4918 -3.4918 -1.5917 -1.5917 -1.0909 -1.0909 1.7353 1.7353 2.7309 2.7309 2.7912 2.7912 3.4103 3.4103 4.6274 4.6274 5.0163 5.0163 5.8608 5.8608 5.9838 5.9838 6.6783 6.6783 7.0054 7.0054 7.1150 7.1150 7.4383 7.4383 8.3168 8.3168 9.0862 9.0862 9.3741 9.3741 10.0636 10.0636 10.4775 10.4775 k = 0.0897-0.0390 0.1202 ( 5233 PWs) bands (ev): -19.7552 -19.7552 -19.7021 -19.7021 -6.5488 -6.5488 -6.4239 -6.4239 -6.0795 -6.0795 -4.7253 -4.7253 -4.6295 -4.6295 -4.5056 -4.5056 -4.4057 -4.4057 -3.6136 -3.6136 -3.4699 -3.4699 -1.6240 -1.6240 -1.0766 -1.0766 1.7640 1.7640 2.7263 2.7263 2.7530 2.7530 3.4160 3.4160 4.5934 4.5934 5.0507 5.0507 5.8932 5.8932 6.0053 6.0053 6.6960 6.6960 7.0175 7.0175 7.1203 7.1203 7.4569 7.4569 8.2941 8.2941 9.0467 9.0467 9.3316 9.3316 10.0518 10.0518 10.4857 10.4857 k = 0.0769-0.0334 0.1030 ( 5228 PWs) bands (ev): -19.7556 -19.7556 -19.7020 -19.7020 -6.5484 -6.5484 -6.4162 -6.4162 -6.0926 -6.0926 -4.7252 -4.7252 -4.6345 -4.6345 -4.5040 -4.5040 -4.4098 -4.4098 -3.6009 -3.6009 -3.4478 -3.4478 -1.6534 -1.6534 -1.0635 -1.0635 1.7893 1.7893 2.7137 2.7137 2.7270 2.7270 3.4221 3.4221 4.5617 4.5617 5.0821 5.0821 5.9222 5.9222 6.0255 6.0255 6.7121 6.7121 7.0274 7.0274 7.1257 7.1257 7.4705 7.4705 8.2792 8.2792 9.0127 9.0127 9.2892 9.2892 10.0422 10.0422 10.4841 10.4841 k = 0.0641-0.0278 0.0858 ( 5225 PWs) bands (ev): -19.7559 -19.7559 -19.7020 -19.7020 -6.5481 -6.5481 -6.4090 -6.4090 -6.1045 -6.1045 -4.7250 -4.7250 -4.6395 -4.6395 -4.5021 -4.5021 -4.4135 -4.4135 -3.5910 -3.5910 -3.4270 -3.4270 -1.6793 -1.6793 -1.0518 -1.0518 1.8111 1.8111 2.6860 2.6860 2.7209 2.7209 3.4281 3.4281 4.5333 4.5333 5.1099 5.1099 5.9471 5.9471 6.0441 6.0441 6.7265 6.7265 7.0351 7.0351 7.1309 7.1309 7.4794 7.4794 8.2711 8.2711 8.9852 8.9852 9.2475 9.2475 10.0348 10.0348 10.4754 10.4754 k = 0.0513-0.0223 0.0687 ( 5220 PWs) bands (ev): -19.7562 -19.7562 -19.7019 -19.7019 -6.5478 -6.5478 -6.4024 -6.4024 -6.1149 -6.1149 -4.7249 -4.7249 -4.6440 -4.6440 -4.5002 -4.5002 -4.4167 -4.4167 -3.5833 -3.5833 -3.4087 -3.4087 -1.7012 -1.7012 -1.0418 -1.0418 1.8291 1.8291 2.6612 2.6612 2.7170 2.7170 3.4339 3.4339 4.5089 4.5089 5.1336 5.1336 5.9676 5.9676 6.0606 6.0606 6.7388 6.7388 7.0408 7.0408 7.1357 7.1357 7.4845 7.4845 8.2682 8.2682 8.9650 8.9650 9.2079 9.2079 10.0296 10.0296 10.4633 10.4633 k = 0.0385-0.0167 0.0515 ( 5213 PWs) bands (ev): -19.7564 -19.7564 -19.7019 -19.7019 -6.5476 -6.5476 -6.3969 -6.3969 -6.1234 -6.1234 -4.7246 -4.7246 -4.6478 -4.6478 -4.4985 -4.4985 -4.4193 -4.4193 -3.5776 -3.5776 -3.3936 -3.3936 -1.7189 -1.7189 -1.0338 -1.0338 1.8433 1.8433 2.6415 2.6415 2.7139 2.7139 3.4388 3.4388 4.4891 4.4891 5.1527 5.1527 5.9834 5.9834 6.0742 6.0742 6.7488 6.7488 7.0449 7.0449 7.1397 7.1397 7.4870 7.4870 8.2686 8.2686 8.9520 8.9520 9.1722 9.1722 10.0263 10.0263 10.4509 10.4509 k = 0.0256-0.0111 0.0343 ( 5214 PWs) bands (ev): -19.7566 -19.7566 -19.7019 -19.7019 -6.5474 -6.5474 -6.3926 -6.3926 -6.1298 -6.1298 -4.7244 -4.7244 -4.6507 -4.6507 -4.4971 -4.4971 -4.4213 -4.4213 -3.5735 -3.5735 -3.3823 -3.3823 -1.7318 -1.7318 -1.0279 -1.0279 1.8536 1.8536 2.6272 2.6272 2.7116 2.7116 3.4427 3.4427 4.4746 4.4746 5.1667 5.1667 5.9947 5.9947 6.0844 6.0844 6.7562 6.7562 7.0475 7.0475 7.1427 7.1427 7.4878 7.4878 8.2704 8.2704 8.9454 8.9454 9.1428 9.1428 10.0244 10.0244 10.4404 10.4404 k = 0.0128-0.0056 0.0172 ( 5214 PWs) bands (ev): -19.7567 -19.7567 -19.7018 -19.7018 -6.5473 -6.5473 -6.3899 -6.3899 -6.1337 -6.1337 -4.7243 -4.7243 -4.6526 -4.6526 -4.4962 -4.4962 -4.4225 -4.4225 -3.5711 -3.5711 -3.3754 -3.3754 -1.7396 -1.7396 -1.0244 -1.0244 1.8598 1.8598 2.6186 2.6186 2.7101 2.7101 3.4451 3.4451 4.4656 4.4656 5.1752 5.1752 6.0014 6.0014 6.0908 6.0908 6.7608 6.7608 7.0489 7.0489 7.1445 7.1445 7.4879 7.4879 8.2721 8.2721 8.9431 8.9431 9.1229 9.1229 10.0235 10.0235 10.4335 10.4335 k = 0.0000 0.0000 0.0000 ( 5215 PWs) bands (ev): -19.7567 -19.7567 -19.7018 -19.7018 -6.5473 -6.5473 -6.3890 -6.3890 -6.1351 -6.1351 -4.7242 -4.7242 -4.6532 -4.6532 -4.4959 -4.4959 -4.4229 -4.4229 -3.5704 -3.5704 -3.3731 -3.3731 -1.7423 -1.7423 -1.0231 -1.0231 1.8619 1.8619 2.6157 2.6157 2.7096 2.7096 3.4460 3.4460 4.4626 4.4626 5.1781 5.1781 6.0036 6.0036 6.0930 6.0930 6.7623 6.7623 7.0494 7.0494 7.1452 7.1452 7.4878 7.4878 8.2728 8.2728 8.9428 8.9428 9.1158 9.1158 10.0232 10.0232 10.4311 10.4311 Writing output data file BaP3.save init_run : 0.48s CPU 0.63s WALL ( 1 calls) electrons : 204.58s CPU 207.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 204.58s CPU 207.21s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 249 calls) cegterg : 190.90s CPU 193.12s WALL ( 485 calls) Called by sum_band: Called by *egterg: h_psi : 98.76s CPU 100.30s WALL ( 8295 calls) s_psi : 12.65s CPU 12.63s WALL ( 8295 calls) g_psi : 0.31s CPU 0.30s WALL ( 7561 calls) cdiaghg : 65.46s CPU 66.25s WALL ( 7810 calls) cegterg:over : 8.36s CPU 8.33s WALL ( 7561 calls) cegterg:upda : 8.16s CPU 8.29s WALL ( 7561 calls) cegterg:last : 3.98s CPU 3.95s WALL ( 1231 calls) cdiaghg:chol : 3.64s CPU 3.82s WALL ( 7810 calls) cdiaghg:inve : 2.50s CPU 2.50s WALL ( 7810 calls) cdiaghg:para : 4.26s CPU 4.33s WALL ( 15620 calls) Called by h_psi: h_psi:vloc : 72.51s CPU 73.75s WALL ( 8295 calls) h_psi:vnl : 25.95s CPU 26.21s WALL ( 8295 calls) add_vuspsi : 14.55s CPU 14.64s WALL ( 8295 calls) General routines calbec : 11.36s CPU 11.55s WALL ( 8295 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.30s CPU 68.52s WALL ( 816652 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 498 calls) Parallel routines fft_scatter : 25.71s CPU 25.85s WALL ( 816675 calls) PWSCF : 3m41.09s CPU 3m54.76s WALL This run was terminated on: 14: 6:12 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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