Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:57:25 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: ./BaGe2.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 75 59 17 1420 983 157 Max 76 60 18 1421 999 159 Sum 2729 2131 629 51145 35751 5693 bravais-lattice index = 14 lattice parameter (alat) = 15.3134 a.u. unit-cell volume = 1130.9157 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 15.313367 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.826827 celldm(5)= -0.826827 celldm(6)= 0.653653 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.653653 0.756794 0.000000 ) a(3) = ( -0.826827 -0.378397 0.416141 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.863714 1.201516 ) b(2) = ( 0.000000 1.321363 1.201516 ) b(3) = ( 0.000000 0.000000 2.403032 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.1731733 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3783970 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.3268267 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3783970 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0255642), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0511283), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0766925), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.1022567), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.1278208), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.1533850), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.1789492), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.2045133), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.2300775), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.2556417), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.2812059), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.3067700), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.3323342), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.3578984), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.3834625), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.4090267), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.4345909), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.4601550), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.4857192), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.5112834), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.5368475), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.5624117), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.5879759), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.6135400), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.6391042), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.6646684), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.6902325), wk = 0.0034247 k( 29) = ( 0.0000000 0.0000000 0.7157967), wk = 0.0034247 k( 30) = ( 0.0000000 0.0000000 0.7413609), wk = 0.0034247 k( 31) = ( 0.0000000 0.0000000 0.7669251), wk = 0.0034247 k( 32) = ( 0.0000000 0.0000000 0.7924892), wk = 0.0034247 k( 33) = ( 0.0000000 0.0000000 0.8180534), wk = 0.0034247 k( 34) = ( 0.0000000 0.0000000 0.8436176), wk = 0.0034247 k( 35) = ( 0.0000000 0.0000000 0.8691817), wk = 0.0034247 k( 36) = ( 0.0000000 0.0000000 0.8947459), wk = 0.0034247 k( 37) = ( 0.0000000 0.0000000 0.9203100), wk = 0.0034247 k( 38) = ( 0.0000000 0.0000000 0.9458742), wk = 0.0034247 k( 39) = ( 0.0000000 0.0000000 0.9714384), wk = 0.0034247 k( 40) = ( 0.0000000 0.0000000 0.9970026), wk = 0.0034247 k( 41) = ( 0.0000000 0.0000000 1.0225667), wk = 0.0034247 k( 42) = ( 0.0000000 0.0000000 1.0481309), wk = 0.0034247 k( 43) = ( 0.0000000 0.0000000 1.0736951), wk = 0.0034247 k( 44) = ( 0.0000000 0.0000000 1.0992592), wk = 0.0034247 k( 45) = ( 0.0000000 0.0000000 1.1248234), wk = 0.0034247 k( 46) = ( 0.0000000 0.0000000 1.1503876), wk = 0.0034247 k( 47) = ( 0.0000000 0.0000000 1.1759517), wk = 0.0034247 k( 48) = ( 0.0000000 0.0000000 1.2015159), wk = 0.0034247 k( 49) = ( 0.0000000 0.0000000 1.2015159), wk = 0.0034247 k( 50) = ( -0.0104722 0.0228825 1.2015159), wk = 0.0034247 k( 51) = ( -0.0209443 0.0457650 1.2015159), wk = 0.0034247 k( 52) = ( -0.0314165 0.0686475 1.2015159), wk = 0.0034247 k( 53) = ( -0.0418887 0.0915300 1.2015159), wk = 0.0034247 k( 54) = ( -0.0523608 0.1144124 1.2015159), wk = 0.0034247 k( 55) = ( -0.0523608 0.1144124 1.2015159), wk = 0.0034247 k( 56) = ( -0.0598215 0.1307145 1.1835877), wk = 0.0034247 k( 57) = ( -0.0672821 0.1470166 1.1656595), wk = 0.0034247 k( 58) = ( -0.0747428 0.1633187 1.1477313), wk = 0.0034247 k( 59) = ( -0.0822034 0.1796209 1.1298032), wk = 0.0034247 k( 60) = ( -0.0896641 0.1959229 1.1118750), wk = 0.0034247 k( 61) = ( -0.0971247 0.2122250 1.0939468), wk = 0.0034247 k( 62) = ( -0.1045854 0.2285272 1.0760186), wk = 0.0034247 k( 63) = ( -0.1120460 0.2448293 1.0580904), wk = 0.0034247 k( 64) = ( -0.1195067 0.2611314 1.0401622), wk = 0.0034247 k( 65) = ( -0.1269674 0.2774334 1.0222340), wk = 0.0034247 k( 66) = ( -0.1344280 0.2937356 1.0043059), wk = 0.0034247 k( 67) = ( -0.1418887 0.3100377 0.9863777), wk = 0.0034247 k( 68) = ( -0.1493493 0.3263398 0.9684495), wk = 0.0034247 k( 69) = ( -0.1568100 0.3426419 0.9505213), wk = 0.0034247 k( 70) = ( -0.1642706 0.3589440 0.9325931), wk = 0.0034247 k( 71) = ( -0.1717313 0.3752461 0.9146649), wk = 0.0034247 k( 72) = ( -0.1791919 0.3915482 0.8967367), wk = 0.0034247 k( 73) = ( -0.1866526 0.4078503 0.8788086), wk = 0.0034247 k( 74) = ( -0.1941132 0.4241524 0.8608804), wk = 0.0034247 k( 75) = ( -0.2015739 0.4404545 0.8429522), wk = 0.0034247 k( 76) = ( -0.2090345 0.4567566 0.8250240), wk = 0.0034247 k( 77) = ( -0.2164952 0.4730587 0.8070958), wk = 0.0034247 k( 78) = ( -0.2239558 0.4893608 0.7891676), wk = 0.0034247 k( 79) = ( -0.2314165 0.5056629 0.7712394), wk = 0.0034247 k( 80) = ( -0.2388772 0.5219650 0.7533113), wk = 0.0034247 k( 81) = ( -0.2463378 0.5382671 0.7353831), wk = 0.0034247 k( 82) = ( -0.2537985 0.5545692 0.7174549), wk = 0.0034247 k( 83) = ( -0.2612591 0.5708713 0.6995267), wk = 0.0034247 k( 84) = ( -0.2687198 0.5871734 0.6815985), wk = 0.0034247 k( 85) = ( -0.2761804 0.6034755 0.6636703), wk = 0.0034247 k( 86) = ( -0.2761804 0.6034755 0.6636703), wk = 0.0034247 k( 87) = ( -0.2687161 0.5871653 0.6457333), wk = 0.0034247 k( 88) = ( -0.2612517 0.5708552 0.6277962), wk = 0.0034247 k( 89) = ( -0.2537874 0.5545451 0.6098592), wk = 0.0034247 k( 90) = ( -0.2463231 0.5382349 0.5919222), wk = 0.0034247 k( 91) = ( -0.2388587 0.5219248 0.5739852), wk = 0.0034247 k( 92) = ( -0.2313944 0.5056146 0.5560481), wk = 0.0034247 k( 93) = ( -0.2239301 0.4893044 0.5381111), wk = 0.0034247 k( 94) = ( -0.2164657 0.4729943 0.5201740), wk = 0.0034247 k( 95) = ( -0.2090014 0.4566841 0.5022370), wk = 0.0034247 k( 96) = ( -0.2015371 0.4403740 0.4843000), wk = 0.0034247 k( 97) = ( -0.1940727 0.4240639 0.4663629), wk = 0.0034247 k( 98) = ( -0.1866084 0.4077537 0.4484259), wk = 0.0034247 k( 99) = ( -0.1791440 0.3914436 0.4304889), wk = 0.0034247 k( 100) = ( -0.1716797 0.3751334 0.4125518), wk = 0.0034247 k( 101) = ( -0.1642154 0.3588233 0.3946148), wk = 0.0034247 k( 102) = ( -0.1567510 0.3425131 0.3766777), wk = 0.0034247 k( 103) = ( -0.1492867 0.3262030 0.3587407), wk = 0.0034247 k( 104) = ( -0.1418224 0.3098928 0.3408037), wk = 0.0034247 k( 105) = ( -0.1343580 0.2935827 0.3228666), wk = 0.0034247 k( 106) = ( -0.1268937 0.2772725 0.3049296), wk = 0.0034247 k( 107) = ( -0.1194294 0.2609624 0.2869926), wk = 0.0034247 k( 108) = ( -0.1119650 0.2446522 0.2690555), wk = 0.0034247 k( 109) = ( -0.1045007 0.2283421 0.2511185), wk = 0.0034247 k( 110) = ( -0.0970364 0.2120319 0.2331815), wk = 0.0034247 k( 111) = ( -0.0895720 0.1957218 0.2152444), wk = 0.0034247 k( 112) = ( -0.0821077 0.1794116 0.1973074), wk = 0.0034247 k( 113) = ( -0.0746433 0.1631015 0.1793703), wk = 0.0034247 k( 114) = ( -0.0671790 0.1467913 0.1614333), wk = 0.0034247 k( 115) = ( -0.0597147 0.1304812 0.1434963), wk = 0.0034247 k( 116) = ( -0.0522504 0.1141710 0.1255593), wk = 0.0034247 k( 117) = ( -0.0447860 0.0978609 0.1076222), wk = 0.0034247 k( 118) = ( -0.0373217 0.0815507 0.0896852), wk = 0.0034247 k( 119) = ( -0.0298573 0.0652406 0.0717481), wk = 0.0034247 k( 120) = ( -0.0223930 0.0489305 0.0538111), wk = 0.0034247 k( 121) = ( -0.0149287 0.0326203 0.0358741), wk = 0.0034247 k( 122) = ( -0.0074643 0.0163102 0.0179370), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 125) = ( 0.0227273 0.0104011 -0.0000000), wk = 0.0034247 k( 126) = ( 0.0454546 0.0208023 -0.0000000), wk = 0.0034247 k( 127) = ( 0.0681818 0.0312034 -0.0000000), wk = 0.0034247 k( 128) = ( 0.0909091 0.0416045 -0.0000000), wk = 0.0034247 k( 129) = ( 0.1136364 0.0520057 -0.0000000), wk = 0.0034247 k( 130) = ( 0.1363636 0.0624068 -0.0000000), wk = 0.0034247 k( 131) = ( 0.1590909 0.0728079 -0.0000000), wk = 0.0034247 k( 132) = ( 0.1818182 0.0832090 -0.0000000), wk = 0.0034247 k( 133) = ( 0.2045454 0.0936102 -0.0000000), wk = 0.0034247 k( 134) = ( 0.2272727 0.1040113 -0.0000000), wk = 0.0034247 k( 135) = ( 0.2500000 0.1144124 -0.0000000), wk = 0.0034247 k( 136) = ( 0.2727273 0.1248136 -0.0000000), wk = 0.0034247 k( 137) = ( 0.2954545 0.1352147 -0.0000000), wk = 0.0034247 k( 138) = ( 0.3181818 0.1456158 -0.0000000), wk = 0.0034247 k( 139) = ( 0.3409091 0.1560170 -0.0000000), wk = 0.0034247 k( 140) = ( 0.3636364 0.1664181 -0.0000000), wk = 0.0034247 k( 141) = ( 0.3863636 0.1768192 -0.0000000), wk = 0.0034247 k( 142) = ( 0.4090909 0.1872204 -0.0000000), wk = 0.0034247 k( 143) = ( 0.4318182 0.1976215 -0.0000000), wk = 0.0034247 k( 144) = ( 0.4545455 0.2080226 -0.0000000), wk = 0.0034247 k( 145) = ( 0.4772727 0.2184237 -0.0000000), wk = 0.0034247 k( 146) = ( 0.5000000 0.2288249 -0.0000000), wk = 0.0034247 k( 147) = ( 0.5000000 0.2288249 -0.0000000), wk = 0.0034247 k( 148) = ( 0.4925393 0.2451270 0.0179282), wk = 0.0034247 k( 149) = ( 0.4850787 0.2614291 0.0358564), wk = 0.0034247 k( 150) = ( 0.4776180 0.2777312 0.0537846), wk = 0.0034247 k( 151) = ( 0.4701574 0.2940333 0.0717127), wk = 0.0034247 k( 152) = ( 0.4626967 0.3103354 0.0896409), wk = 0.0034247 k( 153) = ( 0.4552361 0.3266375 0.1075691), wk = 0.0034247 k( 154) = ( 0.4477754 0.3429396 0.1254973), wk = 0.0034247 k( 155) = ( 0.4403148 0.3592417 0.1434255), wk = 0.0034247 k( 156) = ( 0.4328541 0.3755438 0.1613537), wk = 0.0034247 k( 157) = ( 0.4253935 0.3918459 0.1792819), wk = 0.0034247 k( 158) = ( 0.4179328 0.4081480 0.1972100), wk = 0.0034247 k( 159) = ( 0.4104722 0.4244501 0.2151382), wk = 0.0034247 k( 160) = ( 0.4030115 0.4407522 0.2330664), wk = 0.0034247 k( 161) = ( 0.3955509 0.4570543 0.2509946), wk = 0.0034247 k( 162) = ( 0.3880902 0.4733564 0.2689228), wk = 0.0034247 k( 163) = ( 0.3806295 0.4896585 0.2868510), wk = 0.0034247 k( 164) = ( 0.3731689 0.5059606 0.3047792), wk = 0.0034247 k( 165) = ( 0.3657083 0.5222627 0.3227073), wk = 0.0034247 k( 166) = ( 0.3582476 0.5385648 0.3406356), wk = 0.0034247 k( 167) = ( 0.3507869 0.5548669 0.3585637), wk = 0.0034247 k( 168) = ( 0.3433263 0.5711690 0.3764919), wk = 0.0034247 k( 169) = ( 0.3358656 0.5874711 0.3944201), wk = 0.0034247 k( 170) = ( 0.3284050 0.6037732 0.4123483), wk = 0.0034247 k( 171) = ( 0.3209443 0.6200753 0.4302765), wk = 0.0034247 k( 172) = ( 0.3134837 0.6363774 0.4482047), wk = 0.0034247 k( 173) = ( 0.3060230 0.6526795 0.4661329), wk = 0.0034247 k( 174) = ( 0.2985624 0.6689816 0.4840610), wk = 0.0034247 k( 175) = ( 0.2911017 0.6852837 0.5019892), wk = 0.0034247 k( 176) = ( 0.2836411 0.7015858 0.5199174), wk = 0.0034247 k( 177) = ( 0.2761804 0.7178879 0.5378456), wk = 0.0034247 k( 178) = ( 0.2761804 0.7178879 0.5378456), wk = 0.0034247 k( 179) = ( 0.2531654 0.7131208 0.5430883), wk = 0.0034247 k( 180) = ( 0.2301503 0.7083536 0.5483310), wk = 0.0034247 k( 181) = ( 0.2071353 0.7035864 0.5535737), wk = 0.0034247 k( 182) = ( 0.1841203 0.6988192 0.5588164), wk = 0.0034247 k( 183) = ( 0.1611052 0.6940520 0.5640591), wk = 0.0034247 k( 184) = ( 0.1380902 0.6892848 0.5693018), wk = 0.0034247 k( 185) = ( 0.1150752 0.6845176 0.5745445), wk = 0.0034247 k( 186) = ( 0.0920601 0.6797505 0.5797872), wk = 0.0034247 k( 187) = ( 0.0690451 0.6749833 0.5850299), wk = 0.0034247 k( 188) = ( 0.0460301 0.6702161 0.5902726), wk = 0.0034247 k( 189) = ( 0.0230150 0.6654489 0.5955153), wk = 0.0034247 k( 190) = ( 0.0000000 0.6606817 0.6007580), wk = 0.0034247 k( 191) = ( 0.0000000 0.6606817 0.6007580), wk = 0.0034247 k( 192) = ( 0.0075758 0.6441281 0.6189627), wk = 0.0034247 k( 193) = ( 0.0151515 0.6275745 0.6371675), wk = 0.0034247 k( 194) = ( 0.0227273 0.6110209 0.6553723), wk = 0.0034247 k( 195) = ( 0.0303030 0.5944673 0.6735771), wk = 0.0034247 k( 196) = ( 0.0378788 0.5779136 0.6917819), wk = 0.0034247 k( 197) = ( 0.0454546 0.5613600 0.7099867), wk = 0.0034247 k( 198) = ( 0.0530303 0.5448064 0.7281915), wk = 0.0034247 k( 199) = ( 0.0606061 0.5282528 0.7463962), wk = 0.0034247 k( 200) = ( 0.0681818 0.5116992 0.7646010), wk = 0.0034247 k( 201) = ( 0.0757576 0.4951456 0.7828058), wk = 0.0034247 k( 202) = ( 0.0833333 0.4785920 0.8010106), wk = 0.0034247 k( 203) = ( 0.0909091 0.4620383 0.8192154), wk = 0.0034247 k( 204) = ( 0.0984848 0.4454847 0.8374202), wk = 0.0034247 k( 205) = ( 0.1060606 0.4289311 0.8556250), wk = 0.0034247 k( 206) = ( 0.1136364 0.4123775 0.8738297), wk = 0.0034247 k( 207) = ( 0.1212121 0.3958239 0.8920345), wk = 0.0034247 k( 208) = ( 0.1287879 0.3792703 0.9102393), wk = 0.0034247 k( 209) = ( 0.1363636 0.3627166 0.9284441), wk = 0.0034247 k( 210) = ( 0.1439394 0.3461630 0.9466489), wk = 0.0034247 k( 211) = ( 0.1515151 0.3296094 0.9648537), wk = 0.0034247 k( 212) = ( 0.1590909 0.3130558 0.9830585), wk = 0.0034247 k( 213) = ( 0.1666667 0.2965022 1.0012633), wk = 0.0034247 k( 214) = ( 0.1742424 0.2799486 1.0194680), wk = 0.0034247 k( 215) = ( 0.1818182 0.2633950 1.0376728), wk = 0.0034247 k( 216) = ( 0.1893939 0.2468414 1.0558776), wk = 0.0034247 k( 217) = ( 0.1969697 0.2302877 1.0740824), wk = 0.0034247 k( 218) = ( 0.2045454 0.2137341 1.0922872), wk = 0.0034247 k( 219) = ( 0.2121212 0.1971805 1.1104920), wk = 0.0034247 k( 220) = ( 0.2196970 0.1806269 1.1286968), wk = 0.0034247 k( 221) = ( 0.2272727 0.1640733 1.1469016), wk = 0.0034247 k( 222) = ( 0.2348485 0.1475197 1.1651063), wk = 0.0034247 k( 223) = ( 0.2424242 0.1309661 1.1833111), wk = 0.0034247 k( 224) = ( 0.2500000 0.1144124 1.2015159), wk = 0.0034247 k( 225) = ( 0.2500000 0.1144124 1.2015159), wk = 0.0034247 k( 226) = ( 0.2708333 0.1239468 1.1910305), wk = 0.0034247 k( 227) = ( 0.2916667 0.1334812 1.1805451), wk = 0.0034247 k( 228) = ( 0.3125000 0.1430155 1.1700597), wk = 0.0034247 k( 229) = ( 0.3333333 0.1525499 1.1595743), wk = 0.0034247 k( 230) = ( 0.3541667 0.1620843 1.1490889), wk = 0.0034247 k( 231) = ( 0.3750000 0.1716187 1.1386035), wk = 0.0034247 k( 232) = ( 0.3958333 0.1811530 1.1281181), wk = 0.0034247 k( 233) = ( 0.4166667 0.1906874 1.1176328), wk = 0.0034247 k( 234) = ( 0.4375000 0.2002218 1.1071474), wk = 0.0034247 k( 235) = ( 0.4583333 0.2097561 1.0966620), wk = 0.0034247 k( 236) = ( 0.4791667 0.2192905 1.0861766), wk = 0.0034247 k( 237) = ( 0.5000000 0.2288249 1.0756912), wk = 0.0034247 k( 238) = ( 0.5000000 0.2288249 1.0756912), wk = 0.0034247 k( 239) = ( 0.5000000 0.2288249 1.0500795), wk = 0.0034247 k( 240) = ( 0.5000000 0.2288249 1.0244678), wk = 0.0034247 k( 241) = ( 0.5000000 0.2288249 0.9988561), wk = 0.0034247 k( 242) = ( 0.5000000 0.2288249 0.9732444), wk = 0.0034247 k( 243) = ( 0.5000000 0.2288249 0.9476327), wk = 0.0034247 k( 244) = ( 0.5000000 0.2288249 0.9220210), wk = 0.0034247 k( 245) = ( 0.5000000 0.2288249 0.8964093), wk = 0.0034247 k( 246) = ( 0.5000000 0.2288249 0.8707976), wk = 0.0034247 k( 247) = ( 0.5000000 0.2288249 0.8451859), wk = 0.0034247 k( 248) = ( 0.5000000 0.2288249 0.8195742), wk = 0.0034247 k( 249) = ( 0.5000000 0.2288249 0.7939625), wk = 0.0034247 k( 250) = ( 0.5000000 0.2288249 0.7683508), wk = 0.0034247 k( 251) = ( 0.5000000 0.2288249 0.7427391), wk = 0.0034247 k( 252) = ( 0.5000000 0.2288249 0.7171275), wk = 0.0034247 k( 253) = ( 0.5000000 0.2288249 0.6915158), wk = 0.0034247 k( 254) = ( 0.5000000 0.2288249 0.6659041), wk = 0.0034247 k( 255) = ( 0.5000000 0.2288249 0.6402924), wk = 0.0034247 k( 256) = ( 0.5000000 0.2288249 0.6146807), wk = 0.0034247 k( 257) = ( 0.5000000 0.2288249 0.5890690), wk = 0.0034247 k( 258) = ( 0.5000000 0.2288249 0.5634573), wk = 0.0034247 k( 259) = ( 0.5000000 0.2288249 0.5378456), wk = 0.0034247 k( 260) = ( 0.5000000 0.2288249 0.5122339), wk = 0.0034247 k( 261) = ( 0.5000000 0.2288249 0.4866222), wk = 0.0034247 k( 262) = ( 0.5000000 0.2288249 0.4610105), wk = 0.0034247 k( 263) = ( 0.5000000 0.2288249 0.4353988), wk = 0.0034247 k( 264) = ( 0.5000000 0.2288249 0.4097871), wk = 0.0034247 k( 265) = ( 0.5000000 0.2288249 0.3841754), wk = 0.0034247 k( 266) = ( 0.5000000 0.2288249 0.3585637), wk = 0.0034247 k( 267) = ( 0.5000000 0.2288249 0.3329520), wk = 0.0034247 k( 268) = ( 0.5000000 0.2288249 0.3073403), wk = 0.0034247 k( 269) = ( 0.5000000 0.2288249 0.2817286), wk = 0.0034247 k( 270) = ( 0.5000000 0.2288249 0.2561170), wk = 0.0034247 k( 271) = ( 0.5000000 0.2288249 0.2305053), wk = 0.0034247 k( 272) = ( 0.5000000 0.2288249 0.2048935), wk = 0.0034247 k( 273) = ( 0.5000000 0.2288249 0.1792819), wk = 0.0034247 k( 274) = ( 0.5000000 0.2288249 0.1536702), wk = 0.0034247 k( 275) = ( 0.5000000 0.2288249 0.1280585), wk = 0.0034247 k( 276) = ( 0.5000000 0.2288249 0.1024468), wk = 0.0034247 k( 277) = ( 0.5000000 0.2288249 0.0768351), wk = 0.0034247 k( 278) = ( 0.5000000 0.2288249 0.0512234), wk = 0.0034247 k( 279) = ( 0.5000000 0.2288249 0.0256117), wk = 0.0034247 k( 280) = ( 0.5000000 0.2288249 -0.0000000), wk = 0.0034247 k( 281) = ( 0.0000000 0.0000000 1.2015159), wk = 0.0034247 k( 282) = ( 0.0227273 0.0104011 1.2015159), wk = 0.0034247 k( 283) = ( 0.0454546 0.0208023 1.2015159), wk = 0.0034247 k( 284) = ( 0.0681818 0.0312034 1.2015159), wk = 0.0034247 k( 285) = ( 0.0909091 0.0416045 1.2015159), wk = 0.0034247 k( 286) = ( 0.1136364 0.0520057 1.2015159), wk = 0.0034247 k( 287) = ( 0.1363636 0.0624068 1.2015159), wk = 0.0034247 k( 288) = ( 0.1590909 0.0728079 1.2015159), wk = 0.0034247 k( 289) = ( 0.1818182 0.0832090 1.2015159), wk = 0.0034247 k( 290) = ( 0.2045454 0.0936102 1.2015159), wk = 0.0034247 k( 291) = ( 0.2272727 0.1040113 1.2015159), wk = 0.0034247 k( 292) = ( 0.2500000 0.1144124 1.2015159), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0106383), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0212766), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0319149), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.0425532), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.0531915), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.0638298), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.0744681), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.0851064), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.0957447), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.1063830), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.1170213), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.1276596), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.1382979), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.1489362), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.1595745), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.1702128), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.1808511), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.1914894), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.2021277), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.2127660), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.2234043), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.2340425), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.2446809), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.2553191), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.2659574), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.2765957), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.2872340), wk = 0.0034247 k( 29) = ( 0.0000000 0.0000000 0.2978723), wk = 0.0034247 k( 30) = ( 0.0000000 0.0000000 0.3085106), wk = 0.0034247 k( 31) = ( 0.0000000 0.0000000 0.3191489), wk = 0.0034247 k( 32) = ( 0.0000000 0.0000000 0.3297872), wk = 0.0034247 k( 33) = ( 0.0000000 0.0000000 0.3404255), wk = 0.0034247 k( 34) = ( 0.0000000 0.0000000 0.3510638), wk = 0.0034247 k( 35) = ( 0.0000000 0.0000000 0.3617021), wk = 0.0034247 k( 36) = ( 0.0000000 0.0000000 0.3723404), wk = 0.0034247 k( 37) = ( 0.0000000 0.0000000 0.3829787), wk = 0.0034247 k( 38) = ( 0.0000000 0.0000000 0.3936170), wk = 0.0034247 k( 39) = ( 0.0000000 0.0000000 0.4042553), wk = 0.0034247 k( 40) = ( 0.0000000 0.0000000 0.4148936), wk = 0.0034247 k( 41) = ( 0.0000000 0.0000000 0.4255319), wk = 0.0034247 k( 42) = ( 0.0000000 0.0000000 0.4361702), wk = 0.0034247 k( 43) = ( 0.0000000 0.0000000 0.4468085), wk = 0.0034247 k( 44) = ( 0.0000000 0.0000000 0.4574468), wk = 0.0034247 k( 45) = ( 0.0000000 0.0000000 0.4680851), wk = 0.0034247 k( 46) = ( 0.0000000 0.0000000 0.4787234), wk = 0.0034247 k( 47) = ( 0.0000000 0.0000000 0.4893617), wk = 0.0034247 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 49) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 50) = ( -0.0104722 0.0104722 0.5000000), wk = 0.0034247 k( 51) = ( -0.0209443 0.0209443 0.5000000), wk = 0.0034247 k( 52) = ( -0.0314165 0.0314165 0.5000000), wk = 0.0034247 k( 53) = ( -0.0418887 0.0418887 0.5000000), wk = 0.0034247 k( 54) = ( -0.0523608 0.0523608 0.5000000), wk = 0.0034247 k( 55) = ( -0.0523608 0.0523608 0.5000000), wk = 0.0034247 k( 56) = ( -0.0598215 0.0598215 0.4925393), wk = 0.0034247 k( 57) = ( -0.0672821 0.0672821 0.4850787), wk = 0.0034247 k( 58) = ( -0.0747428 0.0747428 0.4776180), wk = 0.0034247 k( 59) = ( -0.0822034 0.0822034 0.4701574), wk = 0.0034247 k( 60) = ( -0.0896641 0.0896641 0.4626967), wk = 0.0034247 k( 61) = ( -0.0971247 0.0971247 0.4552361), wk = 0.0034247 k( 62) = ( -0.1045854 0.1045854 0.4477754), wk = 0.0034247 k( 63) = ( -0.1120460 0.1120461 0.4403148), wk = 0.0034247 k( 64) = ( -0.1195067 0.1195067 0.4328541), wk = 0.0034247 k( 65) = ( -0.1269674 0.1269674 0.4253935), wk = 0.0034247 k( 66) = ( -0.1344280 0.1344280 0.4179328), wk = 0.0034247 k( 67) = ( -0.1418887 0.1418887 0.4104722), wk = 0.0034247 k( 68) = ( -0.1493493 0.1493493 0.4030115), wk = 0.0034247 k( 69) = ( -0.1568100 0.1568100 0.3955509), wk = 0.0034247 k( 70) = ( -0.1642706 0.1642706 0.3880902), wk = 0.0034247 k( 71) = ( -0.1717313 0.1717313 0.3806295), wk = 0.0034247 k( 72) = ( -0.1791919 0.1791919 0.3731689), wk = 0.0034247 k( 73) = ( -0.1866526 0.1866526 0.3657083), wk = 0.0034247 k( 74) = ( -0.1941132 0.1941132 0.3582476), wk = 0.0034247 k( 75) = ( -0.2015739 0.2015739 0.3507869), wk = 0.0034247 k( 76) = ( -0.2090345 0.2090345 0.3433263), wk = 0.0034247 k( 77) = ( -0.2164952 0.2164952 0.3358656), wk = 0.0034247 k( 78) = ( -0.2239558 0.2239558 0.3284050), wk = 0.0034247 k( 79) = ( -0.2314165 0.2314165 0.3209443), wk = 0.0034247 k( 80) = ( -0.2388772 0.2388772 0.3134837), wk = 0.0034247 k( 81) = ( -0.2463378 0.2463378 0.3060230), wk = 0.0034247 k( 82) = ( -0.2537985 0.2537985 0.2985624), wk = 0.0034247 k( 83) = ( -0.2612591 0.2612591 0.2911017), wk = 0.0034247 k( 84) = ( -0.2687198 0.2687198 0.2836411), wk = 0.0034247 k( 85) = ( -0.2761804 0.2761804 0.2761804), wk = 0.0034247 k( 86) = ( -0.2761804 0.2761804 0.2761804), wk = 0.0034247 k( 87) = ( -0.2687161 0.2687161 0.2687161), wk = 0.0034247 k( 88) = ( -0.2612517 0.2612517 0.2612517), wk = 0.0034247 k( 89) = ( -0.2537874 0.2537874 0.2537874), wk = 0.0034247 k( 90) = ( -0.2463231 0.2463231 0.2463231), wk = 0.0034247 k( 91) = ( -0.2388587 0.2388587 0.2388587), wk = 0.0034247 k( 92) = ( -0.2313944 0.2313944 0.2313944), wk = 0.0034247 k( 93) = ( -0.2239301 0.2239301 0.2239301), wk = 0.0034247 k( 94) = ( -0.2164657 0.2164657 0.2164657), wk = 0.0034247 k( 95) = ( -0.2090014 0.2090014 0.2090014), wk = 0.0034247 k( 96) = ( -0.2015371 0.2015371 0.2015371), wk = 0.0034247 k( 97) = ( -0.1940727 0.1940727 0.1940727), wk = 0.0034247 k( 98) = ( -0.1866084 0.1866084 0.1866084), wk = 0.0034247 k( 99) = ( -0.1791440 0.1791441 0.1791440), wk = 0.0034247 k( 100) = ( -0.1716797 0.1716797 0.1716797), wk = 0.0034247 k( 101) = ( -0.1642154 0.1642154 0.1642154), wk = 0.0034247 k( 102) = ( -0.1567510 0.1567510 0.1567510), wk = 0.0034247 k( 103) = ( -0.1492867 0.1492867 0.1492867), wk = 0.0034247 k( 104) = ( -0.1418224 0.1418224 0.1418224), wk = 0.0034247 k( 105) = ( -0.1343580 0.1343580 0.1343580), wk = 0.0034247 k( 106) = ( -0.1268937 0.1268937 0.1268937), wk = 0.0034247 k( 107) = ( -0.1194294 0.1194294 0.1194294), wk = 0.0034247 k( 108) = ( -0.1119650 0.1119650 0.1119650), wk = 0.0034247 k( 109) = ( -0.1045007 0.1045007 0.1045007), wk = 0.0034247 k( 110) = ( -0.0970364 0.0970364 0.0970364), wk = 0.0034247 k( 111) = ( -0.0895720 0.0895720 0.0895720), wk = 0.0034247 k( 112) = ( -0.0821077 0.0821077 0.0821077), wk = 0.0034247 k( 113) = ( -0.0746433 0.0746433 0.0746433), wk = 0.0034247 k( 114) = ( -0.0671790 0.0671790 0.0671790), wk = 0.0034247 k( 115) = ( -0.0597147 0.0597147 0.0597147), wk = 0.0034247 k( 116) = ( -0.0522504 0.0522504 0.0522503), wk = 0.0034247 k( 117) = ( -0.0447860 0.0447860 0.0447860), wk = 0.0034247 k( 118) = ( -0.0373217 0.0373217 0.0373217), wk = 0.0034247 k( 119) = ( -0.0298573 0.0298573 0.0298573), wk = 0.0034247 k( 120) = ( -0.0223930 0.0223930 0.0223930), wk = 0.0034247 k( 121) = ( -0.0149287 0.0149287 0.0149287), wk = 0.0034247 k( 122) = ( -0.0074643 0.0074643 0.0074643), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 125) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0034247 k( 126) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0034247 k( 127) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0034247 k( 128) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0034247 k( 129) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0034247 k( 130) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0034247 k( 131) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0034247 k( 132) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0034247 k( 133) = ( 0.2045454 0.2045454 -0.2045454), wk = 0.0034247 k( 134) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0034247 k( 135) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034247 k( 136) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0034247 k( 137) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0034247 k( 138) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0034247 k( 139) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0034247 k( 140) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0034247 k( 141) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0034247 k( 142) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0034247 k( 143) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0034247 k( 144) = ( 0.4545455 0.4545455 -0.4545454), wk = 0.0034247 k( 145) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0034247 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034247 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034247 k( 148) = ( 0.4925393 0.5074606 -0.4925393), wk = 0.0034247 k( 149) = ( 0.4850787 0.5149213 -0.4850787), wk = 0.0034247 k( 150) = ( 0.4776180 0.5223820 -0.4776180), wk = 0.0034247 k( 151) = ( 0.4701574 0.5298426 -0.4701574), wk = 0.0034247 k( 152) = ( 0.4626967 0.5373033 -0.4626967), wk = 0.0034247 k( 153) = ( 0.4552361 0.5447639 -0.4552361), wk = 0.0034247 k( 154) = ( 0.4477754 0.5522246 -0.4477754), wk = 0.0034247 k( 155) = ( 0.4403148 0.5596852 -0.4403148), wk = 0.0034247 k( 156) = ( 0.4328541 0.5671459 -0.4328541), wk = 0.0034247 k( 157) = ( 0.4253935 0.5746065 -0.4253935), wk = 0.0034247 k( 158) = ( 0.4179328 0.5820672 -0.4179328), wk = 0.0034247 k( 159) = ( 0.4104722 0.5895278 -0.4104722), wk = 0.0034247 k( 160) = ( 0.4030115 0.5969885 -0.4030115), wk = 0.0034247 k( 161) = ( 0.3955509 0.6044491 -0.3955509), wk = 0.0034247 k( 162) = ( 0.3880902 0.6119098 -0.3880902), wk = 0.0034247 k( 163) = ( 0.3806295 0.6193705 -0.3806295), wk = 0.0034247 k( 164) = ( 0.3731689 0.6268311 -0.3731689), wk = 0.0034247 k( 165) = ( 0.3657083 0.6342918 -0.3657082), wk = 0.0034247 k( 166) = ( 0.3582476 0.6417524 -0.3582476), wk = 0.0034247 k( 167) = ( 0.3507869 0.6492131 -0.3507869), wk = 0.0034247 k( 168) = ( 0.3433263 0.6566737 -0.3433263), wk = 0.0034247 k( 169) = ( 0.3358656 0.6641344 -0.3358656), wk = 0.0034247 k( 170) = ( 0.3284050 0.6715950 -0.3284050), wk = 0.0034247 k( 171) = ( 0.3209443 0.6790557 -0.3209443), wk = 0.0034247 k( 172) = ( 0.3134837 0.6865163 -0.3134837), wk = 0.0034247 k( 173) = ( 0.3060230 0.6939770 -0.3060230), wk = 0.0034247 k( 174) = ( 0.2985624 0.7014376 -0.2985624), wk = 0.0034247 k( 175) = ( 0.2911017 0.7088983 -0.2911017), wk = 0.0034247 k( 176) = ( 0.2836411 0.7163589 -0.2836411), wk = 0.0034247 k( 177) = ( 0.2761804 0.7238196 -0.2761804), wk = 0.0034247 k( 178) = ( 0.2761804 0.7238196 -0.2761804), wk = 0.0034247 k( 179) = ( 0.2531654 0.7051680 -0.2531654), wk = 0.0034247 k( 180) = ( 0.2301503 0.6865163 -0.2301503), wk = 0.0034247 k( 181) = ( 0.2071353 0.6678647 -0.2071353), wk = 0.0034247 k( 182) = ( 0.1841203 0.6492131 -0.1841203), wk = 0.0034247 k( 183) = ( 0.1611052 0.6305614 -0.1611052), wk = 0.0034247 k( 184) = ( 0.1380902 0.6119098 -0.1380902), wk = 0.0034247 k( 185) = ( 0.1150752 0.5932582 -0.1150752), wk = 0.0034247 k( 186) = ( 0.0920601 0.5746065 -0.0920601), wk = 0.0034247 k( 187) = ( 0.0690451 0.5559549 -0.0690451), wk = 0.0034247 k( 188) = ( 0.0460301 0.5373033 -0.0460301), wk = 0.0034247 k( 189) = ( 0.0230150 0.5186516 -0.0230150), wk = 0.0034247 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 192) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0034247 k( 193) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0034247 k( 194) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0034247 k( 195) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0034247 k( 196) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0034247 k( 197) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0034247 k( 198) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0034247 k( 199) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0034247 k( 200) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0034247 k( 201) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0034247 k( 202) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034247 k( 203) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0034247 k( 204) = ( 0.0984848 0.4015152 0.0984849), wk = 0.0034247 k( 205) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0034247 k( 206) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0034247 k( 207) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0034247 k( 208) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0034247 k( 209) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0034247 k( 210) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0034247 k( 211) = ( 0.1515151 0.3484849 0.1515152), wk = 0.0034247 k( 212) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0034247 k( 213) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034247 k( 214) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0034247 k( 215) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0034247 k( 216) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0034247 k( 217) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0034247 k( 218) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0034247 k( 219) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0034247 k( 220) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0034247 k( 221) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0034247 k( 222) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0034247 k( 223) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0034247 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034247 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034247 k( 226) = ( 0.2708333 0.2708333 0.2248033), wk = 0.0034247 k( 227) = ( 0.2916667 0.2916667 0.1996065), wk = 0.0034247 k( 228) = ( 0.3125000 0.3125000 0.1744098), wk = 0.0034247 k( 229) = ( 0.3333333 0.3333333 0.1492131), wk = 0.0034247 k( 230) = ( 0.3541667 0.3541667 0.1240163), wk = 0.0034247 k( 231) = ( 0.3750000 0.3750000 0.0988196), wk = 0.0034247 k( 232) = ( 0.3958333 0.3958333 0.0736229), wk = 0.0034247 k( 233) = ( 0.4166667 0.4166667 0.0484261), wk = 0.0034247 k( 234) = ( 0.4375000 0.4375000 0.0232294), wk = 0.0034247 k( 235) = ( 0.4583333 0.4583333 -0.0019673), wk = 0.0034247 k( 236) = ( 0.4791667 0.4791667 -0.0271641), wk = 0.0034247 k( 237) = ( 0.5000000 0.5000000 -0.0523608), wk = 0.0034247 k( 238) = ( 0.5000000 0.5000000 -0.0523608), wk = 0.0034247 k( 239) = ( 0.5000000 0.5000000 -0.0630189), wk = 0.0034247 k( 240) = ( 0.5000000 0.5000000 -0.0736770), wk = 0.0034247 k( 241) = ( 0.5000000 0.5000000 -0.0843350), wk = 0.0034247 k( 242) = ( 0.5000000 0.5000000 -0.0949931), wk = 0.0034247 k( 243) = ( 0.5000000 0.5000000 -0.1056512), wk = 0.0034247 k( 244) = ( 0.5000000 0.5000000 -0.1163093), wk = 0.0034247 k( 245) = ( 0.5000000 0.5000000 -0.1269673), wk = 0.0034247 k( 246) = ( 0.5000000 0.5000000 -0.1376254), wk = 0.0034247 k( 247) = ( 0.5000000 0.5000000 -0.1482835), wk = 0.0034247 k( 248) = ( 0.5000000 0.5000000 -0.1589416), wk = 0.0034247 k( 249) = ( 0.5000000 0.5000000 -0.1695997), wk = 0.0034247 k( 250) = ( 0.5000000 0.5000000 -0.1802577), wk = 0.0034247 k( 251) = ( 0.5000000 0.5000000 -0.1909158), wk = 0.0034247 k( 252) = ( 0.5000000 0.5000000 -0.2015739), wk = 0.0034247 k( 253) = ( 0.5000000 0.5000000 -0.2122320), wk = 0.0034247 k( 254) = ( 0.5000000 0.5000000 -0.2228900), wk = 0.0034247 k( 255) = ( 0.5000000 0.5000000 -0.2335481), wk = 0.0034247 k( 256) = ( 0.5000000 0.5000000 -0.2442062), wk = 0.0034247 k( 257) = ( 0.5000000 0.5000000 -0.2548643), wk = 0.0034247 k( 258) = ( 0.5000000 0.5000000 -0.2655223), wk = 0.0034247 k( 259) = ( 0.5000000 0.5000000 -0.2761804), wk = 0.0034247 k( 260) = ( 0.5000000 0.5000000 -0.2868385), wk = 0.0034247 k( 261) = ( 0.5000000 0.5000000 -0.2974966), wk = 0.0034247 k( 262) = ( 0.5000000 0.5000000 -0.3081546), wk = 0.0034247 k( 263) = ( 0.5000000 0.5000000 -0.3188127), wk = 0.0034247 k( 264) = ( 0.5000000 0.5000000 -0.3294708), wk = 0.0034247 k( 265) = ( 0.5000000 0.5000000 -0.3401289), wk = 0.0034247 k( 266) = ( 0.5000000 0.5000000 -0.3507869), wk = 0.0034247 k( 267) = ( 0.5000000 0.5000000 -0.3614450), wk = 0.0034247 k( 268) = ( 0.5000000 0.5000000 -0.3721031), wk = 0.0034247 k( 269) = ( 0.5000000 0.5000000 -0.3827612), wk = 0.0034247 k( 270) = ( 0.5000000 0.5000000 -0.3934192), wk = 0.0034247 k( 271) = ( 0.5000000 0.5000000 -0.4040773), wk = 0.0034247 k( 272) = ( 0.5000000 0.5000000 -0.4147354), wk = 0.0034247 k( 273) = ( 0.5000000 0.5000000 -0.4253935), wk = 0.0034247 k( 274) = ( 0.5000000 0.5000000 -0.4360515), wk = 0.0034247 k( 275) = ( 0.5000000 0.5000000 -0.4467096), wk = 0.0034247 k( 276) = ( 0.5000000 0.5000000 -0.4573677), wk = 0.0034247 k( 277) = ( 0.5000000 0.5000000 -0.4680258), wk = 0.0034247 k( 278) = ( 0.5000000 0.5000000 -0.4786838), wk = 0.0034247 k( 279) = ( 0.5000000 0.5000000 -0.4893419), wk = 0.0034247 k( 280) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034247 k( 281) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 282) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0034247 k( 283) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0034247 k( 284) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0034247 k( 285) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0034247 k( 286) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0034247 k( 287) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0034247 k( 288) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0034247 k( 289) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0034247 k( 290) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0034247 k( 291) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0034247 k( 292) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034247 Dense grid: 51145 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 35751 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 254, 44) NL pseudopotentials 0.24 Mb ( 127, 126) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1421) G-vector shells 0.01 Mb ( 671) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 254, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 126, 2, 44) The potential is recalculated from file : ./BaGe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.8 secs Computing kpt #: 24 total cpu time spent up to now is 17.4 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.6 secs Computing kpt #: 27 total cpu time spent up to now is 19.3 secs Computing kpt #: 28 total cpu time spent up to now is 19.9 secs Computing kpt #: 29 total cpu time spent up to now is 20.5 secs Computing kpt #: 30 total cpu time spent up to now is 21.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.4 secs Computing kpt #: 33 total cpu time spent up to now is 23.0 secs Computing kpt #: 34 total cpu time spent up to now is 23.6 secs Computing kpt #: 35 total cpu time spent up to now is 24.2 secs Computing kpt #: 36 total cpu time spent up to now is 24.8 secs Computing kpt #: 37 total cpu time spent up to now is 25.3 secs Computing kpt #: 38 total cpu time spent up to now is 25.9 secs Computing kpt #: 39 total cpu time spent up to now is 26.5 secs Computing kpt #: 40 total cpu time spent up to now is 27.1 secs Computing kpt #: 41 total cpu time spent up to now is 27.6 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.8 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.1 secs Computing kpt #: 48 total cpu time spent up to now is 31.7 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.4 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.5 secs Computing kpt #: 54 total cpu time spent up to now is 35.1 secs Computing kpt #: 55 total cpu time spent up to now is 35.7 secs Computing kpt #: 56 total cpu time spent up to now is 36.2 secs Computing kpt #: 57 total cpu time spent up to now is 36.8 secs Computing kpt #: 58 total cpu time spent up to now is 37.4 secs Computing kpt #: 59 total cpu time spent up to now is 38.0 secs Computing kpt #: 60 total cpu time spent up to now is 38.7 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 39.9 secs Computing kpt #: 63 total cpu time spent up to now is 40.5 secs Computing kpt #: 64 total cpu time spent up to now is 41.1 secs Computing kpt #: 65 total cpu time spent up to now is 41.7 secs Computing kpt #: 66 total cpu time spent up to now is 42.2 secs Computing kpt #: 67 total cpu time spent up to now is 42.8 secs Computing kpt #: 68 total cpu time spent up to now is 43.4 secs Computing kpt #: 69 total cpu time spent up to now is 44.0 secs Computing kpt #: 70 total cpu time spent up to now is 44.5 secs Computing kpt #: 71 total cpu time spent up to now is 45.1 secs Computing kpt #: 72 total cpu time spent up to now is 45.7 secs Computing kpt #: 73 total cpu time spent up to now is 46.3 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.4 secs Computing kpt #: 76 total cpu time spent up to now is 48.0 secs Computing kpt #: 77 total cpu time spent up to now is 48.6 secs Computing kpt #: 78 total cpu time spent up to now is 49.2 secs Computing kpt #: 79 total cpu time spent up to now is 49.7 secs Computing kpt #: 80 total cpu time spent up to now is 50.3 secs Computing kpt #: 81 total cpu time spent up to now is 50.9 secs Computing kpt #: 82 total cpu time spent up to now is 51.6 secs Computing kpt #: 83 total cpu time spent up to now is 52.3 secs Computing kpt #: 84 total cpu time spent up to now is 53.0 secs Computing kpt #: 85 total cpu time spent up to now is 53.7 secs Computing kpt #: 86 total cpu time spent up to now is 54.4 secs Computing kpt #: 87 total cpu time spent up to now is 55.0 secs Computing kpt #: 88 total cpu time spent up to now is 55.6 secs Computing kpt #: 89 total cpu time spent up to now is 56.2 secs Computing kpt #: 90 total cpu time spent up to now is 56.7 secs Computing kpt #: 91 total cpu time spent up to now is 57.3 secs Computing kpt #: 92 total cpu time spent up to now is 57.9 secs Computing kpt #: 93 total cpu time spent up to now is 58.5 secs Computing kpt #: 94 total cpu time spent up to now is 59.0 secs Computing kpt #: 95 total cpu time spent up to now is 59.6 secs Computing kpt #: 96 total cpu time spent up to now is 60.3 secs Computing kpt #: 97 total cpu time spent up to now is 60.9 secs Computing kpt #: 98 total cpu time spent up to now is 61.6 secs Computing kpt #: 99 total cpu time spent up to now is 62.2 secs Computing kpt #: 100 total cpu time spent up to now is 62.8 secs Computing kpt #: 101 total cpu time spent up to now is 63.4 secs Computing kpt #: 102 total cpu time spent up to now is 64.0 secs Computing kpt #: 103 total cpu time spent up to now is 64.5 secs Computing kpt #: 104 total cpu time spent up to now is 65.1 secs Computing kpt #: 105 total cpu time spent up to now is 65.6 secs Computing kpt #: 106 total cpu time spent up to now is 66.2 secs Computing kpt #: 107 total cpu time spent up to now is 66.8 secs Computing kpt #: 108 total cpu time spent up to now is 67.4 secs Computing kpt #: 109 total cpu time spent up to now is 68.0 secs Computing kpt #: 110 total cpu time spent up to now is 68.6 secs Computing kpt #: 111 total cpu time spent up to now is 69.2 secs Computing kpt #: 112 total cpu time spent up to now is 69.8 secs Computing kpt #: 113 total cpu time spent up to now is 70.4 secs Computing kpt #: 114 total cpu time spent up to now is 71.0 secs Computing kpt #: 115 total cpu time spent up to now is 71.6 secs Computing kpt #: 116 total cpu time spent up to now is 72.2 secs Computing kpt #: 117 total cpu time spent up to now is 73.0 secs Computing kpt #: 118 total cpu time spent up to now is 73.7 secs Computing kpt #: 119 total cpu time spent up to now is 74.4 secs Computing kpt #: 120 total cpu time spent up to now is 75.2 secs Computing kpt #: 121 total cpu time spent up to now is 75.9 secs Computing kpt #: 122 total cpu time spent up to now is 76.6 secs Computing kpt #: 123 total cpu time spent up to now is 77.4 secs Computing kpt #: 124 total cpu time spent up to now is 78.0 secs Computing kpt #: 125 total cpu time spent up to now is 78.8 secs Computing kpt #: 126 total cpu time spent up to now is 79.5 secs Computing kpt #: 127 total cpu time spent up to now is 80.2 secs Computing kpt #: 128 total cpu time spent up to now is 80.8 secs Computing kpt #: 129 total cpu time spent up to now is 81.4 secs Computing kpt #: 130 total cpu time spent up to now is 82.0 secs Computing kpt #: 131 total cpu time spent up to now is 82.6 secs Computing kpt #: 132 total cpu time spent up to now is 83.2 secs Computing kpt #: 133 total cpu time spent up to now is 83.8 secs Computing kpt #: 134 total cpu time spent up to now is 84.3 secs Computing kpt #: 135 total cpu time spent up to now is 84.9 secs Computing kpt #: 136 total cpu time spent up to now is 85.5 secs Computing kpt #: 137 total cpu time spent up to now is 86.0 secs Computing kpt #: 138 total cpu time spent up to now is 86.6 secs Computing kpt #: 139 total cpu time spent up to now is 87.2 secs Computing kpt #: 140 total cpu time spent up to now is 87.7 secs Computing kpt #: 141 total cpu time spent up to now is 88.3 secs Computing kpt #: 142 total cpu time spent up to now is 88.9 secs Computing kpt #: 143 total cpu time spent up to now is 89.5 secs Computing kpt #: 144 total cpu time spent up to now is 90.1 secs Computing kpt #: 145 total cpu time spent up to now is 90.7 secs Computing kpt #: 146 total cpu time spent up to now is 91.2 secs Computing kpt #: 147 total cpu time spent up to now is 91.8 secs Computing kpt #: 148 total cpu time spent up to now is 92.4 secs Computing kpt #: 149 total cpu time spent up to now is 93.0 secs Computing kpt #: 150 total cpu time spent up to now is 93.5 secs Computing kpt #: 151 total cpu time spent up to now is 94.1 secs Computing kpt #: 152 total cpu time spent up to now is 94.7 secs Computing kpt #: 153 total cpu time spent up to now is 95.3 secs Computing kpt #: 154 total cpu time spent up to now is 95.9 secs Computing kpt #: 155 total cpu time spent up to now is 96.4 secs Computing kpt #: 156 total cpu time spent up to now is 97.0 secs Computing kpt #: 157 total cpu time spent up to now is 97.6 secs Computing kpt #: 158 total cpu time spent up to now is 98.2 secs Computing kpt #: 159 total cpu time spent up to now is 98.7 secs Computing kpt #: 160 total cpu time spent up to now is 99.3 secs Computing kpt #: 161 total cpu time spent up to now is 99.9 secs Computing kpt #: 162 total cpu time spent up to now is 100.5 secs Computing kpt #: 163 total cpu time spent up to now is 101.1 secs Computing kpt #: 164 total cpu time spent up to now is 101.7 secs Computing kpt #: 165 total cpu time spent up to now is 102.4 secs Computing kpt #: 166 total cpu time spent up to now is 103.0 secs Computing kpt #: 167 total cpu time spent up to now is 103.6 secs Computing kpt #: 168 total cpu time spent up to now is 104.2 secs Computing kpt #: 169 total cpu time spent up to now is 105.0 secs Computing kpt #: 170 total cpu time spent up to now is 105.7 secs Computing kpt #: 171 total cpu time spent up to now is 106.3 secs Computing kpt #: 172 total cpu time spent up to now is 106.9 secs Computing kpt #: 173 total cpu time spent up to now is 107.7 secs Computing kpt #: 174 total cpu time spent up to now is 108.4 secs Computing kpt #: 175 total cpu time spent up to now is 109.1 secs Computing kpt #: 176 total cpu time spent up to now is 109.8 secs Computing kpt #: 177 total cpu time spent up to now is 110.5 secs Computing kpt #: 178 total cpu time spent up to now is 111.2 secs Computing kpt #: 179 total cpu time spent up to now is 111.9 secs Computing kpt #: 180 total cpu time spent up to now is 112.5 secs Computing kpt #: 181 total cpu time spent up to now is 113.1 secs Computing kpt #: 182 total cpu time spent up to now is 113.6 secs Computing kpt #: 183 total cpu time spent up to now is 114.2 secs Computing kpt #: 184 total cpu time spent up to now is 114.8 secs Computing kpt #: 185 total cpu time spent up to now is 115.4 secs Computing kpt #: 186 total cpu time spent up to now is 116.0 secs Computing kpt #: 187 total cpu time spent up to now is 116.6 secs Computing kpt #: 188 total cpu time spent up to now is 117.3 secs Computing kpt #: 189 total cpu time spent up to now is 117.9 secs Computing kpt #: 190 total cpu time spent up to now is 118.5 secs Computing kpt #: 191 total cpu time spent up to now is 119.1 secs Computing kpt #: 192 total cpu time spent up to now is 119.7 secs Computing kpt #: 193 total cpu time spent up to now is 120.3 secs Computing kpt #: 194 total cpu time spent up to now is 120.9 secs Computing kpt #: 195 total cpu time spent up to now is 121.6 secs Computing kpt #: 196 total cpu time spent up to now is 122.3 secs Computing kpt #: 197 total cpu time spent up to now is 122.9 secs Computing kpt #: 198 total cpu time spent up to now is 123.5 secs Computing kpt #: 199 total cpu time spent up to now is 124.1 secs Computing kpt #: 200 total cpu time spent up to now is 124.7 secs Computing kpt #: 201 total cpu time spent up to now is 125.3 secs Computing kpt #: 202 total cpu time spent up to now is 125.8 secs Computing kpt #: 203 total cpu time spent up to now is 126.4 secs Computing kpt #: 204 total cpu time spent up to now is 127.0 secs Computing kpt #: 205 total cpu time spent up to now is 127.6 secs Computing kpt #: 206 total cpu time spent up to now is 128.2 secs Computing kpt #: 207 total cpu time spent up to now is 128.7 secs Computing kpt #: 208 total cpu time spent up to now is 129.3 secs Computing kpt #: 209 total cpu time spent up to now is 129.9 secs Computing kpt #: 210 total cpu time spent up to now is 130.5 secs Computing kpt #: 211 total cpu time spent up to now is 131.1 secs Computing kpt #: 212 total cpu time spent up to now is 131.7 secs Computing kpt #: 213 total cpu time spent up to now is 132.3 secs Computing kpt #: 214 total cpu time spent up to now is 132.9 secs Computing kpt #: 215 total cpu time spent up to now is 133.5 secs Computing kpt #: 216 total cpu time spent up to now is 134.1 secs Computing kpt #: 217 total cpu time spent up to now is 134.8 secs Computing kpt #: 218 total cpu time spent up to now is 135.5 secs Computing kpt #: 219 total cpu time spent up to now is 136.2 secs Computing kpt #: 220 total cpu time spent up to now is 136.9 secs Computing kpt #: 221 total cpu time spent up to now is 137.6 secs Computing kpt #: 222 total cpu time spent up to now is 138.3 secs Computing kpt #: 223 total cpu time spent up to now is 139.0 secs Computing kpt #: 224 total cpu time spent up to now is 139.6 secs Computing kpt #: 225 total cpu time spent up to now is 140.2 secs Computing kpt #: 226 total cpu time spent up to now is 140.8 secs Computing kpt #: 227 total cpu time spent up to now is 141.4 secs Computing kpt #: 228 total cpu time spent up to now is 142.0 secs Computing kpt #: 229 total cpu time spent up to now is 142.6 secs Computing kpt #: 230 total cpu time spent up to now is 143.2 secs Computing kpt #: 231 total cpu time spent up to now is 143.8 secs Computing kpt #: 232 total cpu time spent up to now is 144.4 secs Computing kpt #: 233 total cpu time spent up to now is 144.9 secs Computing kpt #: 234 total cpu time spent up to now is 145.5 secs Computing kpt #: 235 total cpu time spent up to now is 146.1 secs Computing kpt #: 236 total cpu time spent up to now is 146.7 secs Computing kpt #: 237 total cpu time spent up to now is 147.2 secs Computing kpt #: 238 total cpu time spent up to now is 147.8 secs Computing kpt #: 239 total cpu time spent up to now is 148.4 secs Computing kpt #: 240 total cpu time spent up to now is 148.9 secs Computing kpt #: 241 total cpu time spent up to now is 149.5 secs Computing kpt #: 242 total cpu time spent up to now is 150.1 secs Computing kpt #: 243 total cpu time spent up to now is 150.7 secs Computing kpt #: 244 total cpu time spent up to now is 151.2 secs Computing kpt #: 245 total cpu time spent up to now is 151.8 secs Computing kpt #: 246 total cpu time spent up to now is 152.3 secs Computing kpt #: 247 total cpu time spent up to now is 152.9 secs Computing kpt #: 248 total cpu time spent up to now is 153.4 secs Computing kpt #: 249 total cpu time spent up to now is 154.0 secs Computing kpt #: 250 total cpu time spent up to now is 154.5 secs Computing kpt #: 251 total cpu time spent up to now is 155.1 secs Computing kpt #: 252 total cpu time spent up to now is 155.7 secs Computing kpt #: 253 total cpu time spent up to now is 156.3 secs Computing kpt #: 254 total cpu time spent up to now is 156.9 secs Computing kpt #: 255 total cpu time spent up to now is 157.4 secs Computing kpt #: 256 total cpu time spent up to now is 158.0 secs Computing kpt #: 257 total cpu time spent up to now is 158.6 secs Computing kpt #: 258 total cpu time spent up to now is 159.2 secs Computing kpt #: 259 total cpu time spent up to now is 159.8 secs Computing kpt #: 260 total cpu time spent up to now is 160.4 secs Computing kpt #: 261 total cpu time spent up to now is 161.0 secs Computing kpt #: 262 total cpu time spent up to now is 161.6 secs Computing kpt #: 263 total cpu time spent up to now is 162.2 secs Computing kpt #: 264 total cpu time spent up to now is 162.8 secs Computing kpt #: 265 total cpu time spent up to now is 163.4 secs Computing kpt #: 266 total cpu time spent up to now is 164.0 secs Computing kpt #: 267 total cpu time spent up to now is 164.6 secs Computing kpt #: 268 total cpu time spent up to now is 165.2 secs Computing kpt #: 269 total cpu time spent up to now is 165.8 secs Computing kpt #: 270 total cpu time spent up to now is 166.4 secs Computing kpt #: 271 total cpu time spent up to now is 167.0 secs Computing kpt #: 272 total cpu time spent up to now is 167.6 secs Computing kpt #: 273 total cpu time spent up to now is 168.2 secs Computing kpt #: 274 total cpu time spent up to now is 168.8 secs Computing kpt #: 275 total cpu time spent up to now is 169.4 secs Computing kpt #: 276 total cpu time spent up to now is 170.0 secs Computing kpt #: 277 total cpu time spent up to now is 170.5 secs Computing kpt #: 278 total cpu time spent up to now is 171.1 secs Computing kpt #: 279 total cpu time spent up to now is 171.7 secs Computing kpt #: 280 total cpu time spent up to now is 172.3 secs Computing kpt #: 281 total cpu time spent up to now is 172.8 secs Computing kpt #: 282 total cpu time spent up to now is 173.4 secs Computing kpt #: 283 total cpu time spent up to now is 174.0 secs Computing kpt #: 284 total cpu time spent up to now is 174.5 secs Computing kpt #: 285 total cpu time spent up to now is 175.1 secs Computing kpt #: 286 total cpu time spent up to now is 175.7 secs Computing kpt #: 287 total cpu time spent up to now is 176.3 secs Computing kpt #: 288 total cpu time spent up to now is 176.9 secs Computing kpt #: 289 total cpu time spent up to now is 177.5 secs Computing kpt #: 290 total cpu time spent up to now is 178.1 secs Computing kpt #: 291 total cpu time spent up to now is 178.8 secs Computing kpt #: 292 total cpu time spent up to now is 179.4 secs ethr = 2.78E-08, avg # of iterations = 18.3 total cpu time spent up to now is 179.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -19.9343 -19.9343 -19.8944 -19.8944 -6.7082 -6.7082 -6.5390 -6.5390 -4.9277 -4.9277 -4.5897 -4.5897 -4.5708 -4.5708 -4.4608 -4.4608 -3.1339 -3.1339 -0.6722 -0.6722 -0.5266 -0.5266 4.0675 4.0675 5.0263 5.0263 5.1163 5.1163 5.9503 5.9503 6.2217 6.2217 6.3338 6.3338 6.8255 6.8255 8.4411 8.4411 8.5648 8.5648 9.6564 9.6564 9.9507 9.9507 k = 0.0000 0.0000 0.0256 ( 4451 PWs) bands (ev): -19.9343 -19.9343 -19.8944 -19.8944 -6.7082 -6.7082 -6.5393 -6.5393 -4.9275 -4.9275 -4.5901 -4.5901 -4.5718 -4.5718 -4.4611 -4.4611 -3.1314 -3.1314 -0.6721 -0.6721 -0.5263 -0.5263 4.0569 4.0569 5.0273 5.0273 5.1189 5.1189 5.9482 5.9482 6.2209 6.2209 6.3326 6.3326 6.8359 6.8359 8.4424 8.4424 8.5636 8.5636 9.6594 9.6594 9.9294 9.9294 k = 0.0000 0.0000 0.0511 ( 4457 PWs) bands (ev): -19.9342 -19.9342 -19.8944 -19.8944 -6.7082 -6.7082 -6.5400 -6.5400 -4.9271 -4.9271 -4.5913 -4.5913 -4.5748 -4.5748 -4.4620 -4.4620 -3.1239 -3.1239 -0.6720 -0.6720 -0.5254 -0.5254 4.0264 4.0264 5.0187 5.0187 5.1376 5.1376 5.9420 5.9420 6.2180 6.2180 6.3293 6.3293 6.8663 6.8663 8.4460 8.4460 8.5599 8.5599 9.6676 9.6676 9.8552 9.8552 k = 0.0000 0.0000 0.0767 ( 4463 PWs) bands (ev): -19.9341 -19.9341 -19.8944 -19.8944 -6.7081 -6.7081 -6.5413 -6.5413 -4.9263 -4.9263 -4.5933 -4.5933 -4.5798 -4.5798 -4.4635 -4.4635 -3.1117 -3.1117 -0.6718 -0.6718 -0.5240 -0.5240 3.9796 3.9796 4.9882 4.9882 5.1831 5.1831 5.9311 5.9311 6.2123 6.2123 6.3256 6.3256 6.9148 6.9148 8.4522 8.4522 8.5541 8.5541 9.6764 9.6764 9.7537 9.7537 k = 0.0000 0.0000 0.1023 ( 4463 PWs) bands (ev): -19.9338 -19.9338 -19.8943 -19.8943 -6.7080 -6.7080 -6.5430 -6.5430 -4.9252 -4.9252 -4.5961 -4.5961 -4.5867 -4.5867 -4.4653 -4.4653 -3.0948 -3.0948 -0.6714 -0.6714 -0.5223 -0.5223 3.9208 3.9208 4.9404 4.9404 5.2492 5.2492 5.9151 5.9151 6.2028 6.2028 6.3233 6.3233 6.9783 6.9783 8.4611 8.4611 8.5465 8.5465 9.6255 9.6255 9.7011 9.7011 k = 0.0000 0.0000 0.1278 ( 4467 PWs) bands (ev): -19.9336 -19.9336 -19.8943 -19.8943 -6.7079 -6.7079 -6.5452 -6.5452 -4.9238 -4.9238 -4.5999 -4.5999 -4.5951 -4.5951 -4.4675 -4.4675 -3.0735 -3.0735 -0.6708 -0.6708 -0.5204 -0.5204 3.8534 3.8534 4.8816 4.8816 5.3289 5.3289 5.8931 5.8931 6.1896 6.1896 6.3239 6.3239 7.0537 7.0537 8.4727 8.4727 8.5378 8.5378 9.5106 9.5106 9.7047 9.7047 k = 0.0000 0.0000 0.1534 ( 4471 PWs) bands (ev): -19.9333 -19.9333 -19.8942 -19.8942 -6.7077 -6.7077 -6.5478 -6.5478 -4.9221 -4.9221 -4.6071 -4.6071 -4.6025 -4.6025 -4.4699 -4.4699 -3.0483 -3.0483 -0.6700 -0.6700 -0.5185 -0.5185 3.7803 3.7803 4.8157 4.8157 5.4180 5.4180 5.8646 5.8646 6.1736 6.1736 6.3277 6.3277 7.1377 7.1377 8.4872 8.4872 8.5284 8.5284 9.3939 9.3939 9.7012 9.7012 k = 0.0000 0.0000 0.1789 ( 4469 PWs) bands (ev): -19.9329 -19.9329 -19.8942 -19.8942 -6.7076 -6.7076 -6.5509 -6.5509 -4.9201 -4.9201 -4.6186 -4.6186 -4.6077 -4.6077 -4.4724 -4.4724 -3.0195 -3.0195 -0.6688 -0.6688 -0.5169 -0.5169 3.7035 3.7035 4.7457 4.7457 5.5136 5.5136 5.8294 5.8294 6.1562 6.1562 6.3345 6.3345 7.2272 7.2272 8.5042 8.5042 8.5198 8.5198 9.2808 9.2808 9.6842 9.6842 k = 0.0000 0.0000 0.2045 ( 4469 PWs) bands (ev): -19.9325 -19.9325 -19.8941 -19.8941 -6.7074 -6.7074 -6.5543 -6.5543 -4.9178 -4.9178 -4.6316 -4.6316 -4.6131 -4.6131 -4.4751 -4.4751 -2.9874 -2.9874 -0.6673 -0.6673 -0.5158 -0.5158 3.6243 3.6243 4.6739 4.6739 5.6128 5.6128 5.7886 5.7886 6.1387 6.1387 6.3436 6.3436 7.3191 7.3191 8.5084 8.5084 8.5280 8.5280 9.1737 9.1737 9.6533 9.6533 k = 0.0000 0.0000 0.2301 ( 4469 PWs) bands (ev): -19.9320 -19.9320 -19.8940 -19.8940 -6.7071 -6.7071 -6.5581 -6.5581 -4.9152 -4.9152 -4.6457 -4.6457 -4.6189 -4.6189 -4.4778 -4.4778 -2.9525 -2.9525 -0.6653 -0.6653 -0.5156 -0.5156 3.5436 3.5436 4.6021 4.6021 5.7001 5.7001 5.7569 5.7569 6.1217 6.1217 6.3545 6.3545 7.4102 7.4102 8.5013 8.5013 8.5523 8.5523 9.0750 9.0750 9.6117 9.6117 k = 0.0000 0.0000 0.2556 ( 4463 PWs) bands (ev): -19.9314 -19.9314 -19.8939 -19.8939 -6.7069 -6.7069 -6.5623 -6.5623 -4.9122 -4.9122 -4.6604 -4.6604 -4.6251 -4.6251 -4.4807 -4.4807 -2.9152 -2.9152 -0.6627 -0.6627 -0.5166 -0.5166 3.4621 3.4621 4.5319 4.5319 5.6756 5.6756 5.8340 5.8340 6.1056 6.1056 6.3667 6.3667 7.4970 7.4970 8.4955 8.4955 8.5810 8.5810 8.9875 8.9875 9.5636 9.5636 k = 0.0000 0.0000 0.2812 ( 4455 PWs) bands (ev): -19.9308 -19.9308 -19.8938 -19.8938 -6.7067 -6.7067 -6.5667 -6.5667 -4.9090 -4.9090 -4.6756 -4.6756 -4.6318 -4.6318 -4.4836 -4.4836 -2.8758 -2.8758 -0.6596 -0.6596 -0.5190 -0.5190 3.3801 3.3801 4.4644 4.4644 5.6198 5.6198 5.9389 5.9389 6.0908 6.0908 6.3798 6.3798 7.5752 7.5752 8.4918 8.4918 8.6139 8.6139 8.9145 8.9145 9.5117 9.5117 k = 0.0000 0.0000 0.3068 ( 4451 PWs) bands (ev): -19.9302 -19.9302 -19.8937 -19.8937 -6.7064 -6.7064 -6.5713 -6.5713 -4.9054 -4.9054 -4.6910 -4.6910 -4.6387 -4.6387 -4.4867 -4.4867 -2.8348 -2.8348 -0.6558 -0.6558 -0.5232 -0.5232 3.2981 3.2981 4.4006 4.4006 5.5594 5.5594 6.0351 6.0351 6.0870 6.0870 6.3935 6.3935 7.6402 7.6402 8.4910 8.4910 8.6511 8.6511 8.8601 8.8601 9.4509 9.4509 k = 0.0000 0.0000 0.3323 ( 4451 PWs) bands (ev): -19.9295 -19.9295 -19.8936 -19.8936 -6.7061 -6.7061 -6.5762 -6.5762 -4.9016 -4.9016 -4.7064 -4.7064 -4.6460 -4.6460 -4.4899 -4.4899 -2.7925 -2.7925 -0.6513 -0.6513 -0.5295 -0.5295 3.2162 3.2162 4.3415 4.3415 5.4968 5.4968 6.0477 6.0477 6.1666 6.1666 6.4076 6.4076 7.6869 7.6869 8.4933 8.4933 8.6927 8.6927 8.8286 8.8286 9.3627 9.3627 k = 0.0000 0.0000 0.3579 ( 4451 PWs) bands (ev): -19.9288 -19.9288 -19.8935 -19.8935 -6.7058 -6.7058 -6.5813 -6.5813 -4.8976 -4.8976 -4.7215 -4.7215 -4.6534 -4.6534 -4.4932 -4.4932 -2.7492 -2.7492 -0.6462 -0.6462 -0.5379 -0.5379 3.1344 3.1344 4.2877 4.2877 5.4334 5.4334 6.0324 6.0324 6.2720 6.2720 6.4221 6.4221 7.7115 7.7115 8.4993 8.4993 8.7386 8.7386 8.8233 8.8233 9.2600 9.2600 k = 0.0000 0.0000 0.3835 ( 4443 PWs) bands (ev): -19.9280 -19.9280 -19.8934 -19.8934 -6.7055 -6.7055 -6.5865 -6.5865 -4.8933 -4.8933 -4.7361 -4.7361 -4.6611 -4.6611 -4.4966 -4.4966 -2.7053 -2.7053 -0.6407 -0.6407 -0.5485 -0.5485 3.0529 3.0529 4.2396 4.2396 5.3701 5.3701 6.0143 6.0143 6.3757 6.3757 6.4381 6.4381 7.7129 7.7129 8.5087 8.5087 8.7886 8.7886 8.8446 8.8446 9.1568 9.1568 k = 0.0000 0.0000 0.4090 ( 4455 PWs) bands (ev): -19.9272 -19.9272 -19.8933 -19.8933 -6.7052 -6.7052 -6.5918 -6.5918 -4.8889 -4.8889 -4.7502 -4.7502 -4.6688 -4.6688 -4.5002 -4.5002 -2.6612 -2.6612 -0.6352 -0.6352 -0.5610 -0.5610 2.9716 2.9716 4.1979 4.1979 5.3077 5.3077 5.9946 5.9946 6.4425 6.4425 6.4881 6.4881 7.6933 7.6933 8.5204 8.5204 8.8429 8.8429 8.8889 8.8889 9.0598 9.0598 k = 0.0000 0.0000 0.4346 ( 4449 PWs) bands (ev): -19.9264 -19.9264 -19.8932 -19.8932 -6.7049 -6.7049 -6.5971 -6.5971 -4.8844 -4.8844 -4.7633 -4.7633 -4.6767 -4.6767 -4.5038 -4.5038 -2.6170 -2.6170 -0.6316 -0.6316 -0.5735 -0.5735 2.8907 2.8907 4.1626 4.1626 5.2470 5.2470 5.9735 5.9735 6.4591 6.4591 6.5838 6.5838 7.6572 7.6572 8.5305 8.5305 8.9018 8.9018 8.9397 8.9397 8.9868 8.9868 k = 0.0000 0.0000 0.4602 ( 4449 PWs) bands (ev): -19.9255 -19.9255 -19.8931 -19.8931 -6.7045 -6.7045 -6.6024 -6.6024 -4.8800 -4.8800 -4.7754 -4.7754 -4.6845 -4.6845 -4.5076 -4.5076 -2.5732 -2.5732 -0.6347 -0.6347 -0.5814 -0.5814 2.8099 2.8099 4.1340 4.1340 5.1886 5.1886 5.9510 5.9510 6.4722 6.4722 6.6772 6.6772 7.6097 7.6097 8.5314 8.5314 8.9012 8.9012 8.9659 8.9659 9.0377 9.0377 k = 0.0000 0.0000 0.4857 ( 4447 PWs) bands (ev): -19.9246 -19.9246 -19.8930 -19.8930 -6.7042 -6.7042 -6.6078 -6.6078 -4.8759 -4.8759 -4.7862 -4.7862 -4.6924 -4.6924 -4.5115 -4.5115 -2.5299 -2.5299 -0.6491 -0.6491 -0.5799 -0.5799 2.7294 2.7294 4.1122 4.1122 5.1330 5.1330 5.9274 5.9274 6.4842 6.4842 6.7643 6.7643 7.5547 7.5547 8.5117 8.5117 8.8730 8.8730 9.0339 9.0339 9.1225 9.1225 k = 0.0000 0.0000 0.5113 ( 4443 PWs) bands (ev): -19.9237 -19.9237 -19.8929 -19.8929 -6.7038 -6.7038 -6.6130 -6.6130 -4.8724 -4.8724 -4.7951 -4.7951 -4.7002 -4.7002 -4.5155 -4.5155 -2.4875 -2.4875 -0.6727 -0.6727 -0.5711 -0.5711 2.6491 2.6491 4.0972 4.0972 5.0806 5.0806 5.9027 5.9027 6.4954 6.4954 6.8437 6.8437 7.4956 7.4956 8.4679 8.4679 8.8839 8.8839 9.1055 9.1055 9.2142 9.2142 k = 0.0000 0.0000 0.5368 ( 4447 PWs) bands (ev): -19.9227 -19.9227 -19.8928 -19.8928 -6.7035 -6.7035 -6.6182 -6.6182 -4.8700 -4.8700 -4.8019 -4.8019 -4.7080 -4.7080 -4.5195 -4.5195 -2.4460 -2.4460 -0.7020 -0.7020 -0.5583 -0.5583 2.5689 2.5689 4.0886 4.0886 5.0319 5.0319 5.8771 5.8771 6.5057 6.5057 6.9139 6.9139 7.4344 7.4344 8.4090 8.4090 8.9275 8.9275 9.1801 9.1801 9.3087 9.3087 k = 0.0000 0.0000 0.5624 ( 4439 PWs) bands (ev): -19.9218 -19.9218 -19.8928 -19.8928 -6.7031 -6.7031 -6.6233 -6.6233 -4.8692 -4.8692 -4.8059 -4.8059 -4.7156 -4.7156 -4.5237 -4.5237 -2.4058 -2.4058 -0.7356 -0.7356 -0.5427 -0.5427 2.4888 2.4888 4.0864 4.0864 4.9872 4.9872 5.8509 5.8509 6.5152 6.5152 6.9738 6.9738 7.3728 7.3728 8.3461 8.3461 8.9944 8.9944 9.2567 9.2567 9.3654 9.3654 k = 0.0000 0.0000 0.5880 ( 4443 PWs) bands (ev): -19.9208 -19.9208 -19.8927 -19.8927 -6.7027 -6.7027 -6.6282 -6.6282 -4.8702 -4.8702 -4.8069 -4.8069 -4.7231 -4.7231 -4.5279 -4.5279 -2.3670 -2.3670 -0.7727 -0.7727 -0.5249 -0.5249 2.4087 2.4087 4.0901 4.0901 4.9466 4.9466 5.8243 5.8243 6.5239 6.5239 7.0223 7.0223 7.3119 7.3119 8.2862 8.2862 9.0789 9.0789 9.3334 9.3334 9.4011 9.4011 k = 0.0000 0.0000 0.6135 ( 4440 PWs) bands (ev): -19.9198 -19.9198 -19.8927 -19.8927 -6.7023 -6.7023 -6.6330 -6.6330 -4.8728 -4.8728 -4.8053 -4.8053 -4.7304 -4.7304 -4.5321 -4.5321 -2.3298 -2.3298 -0.8128 -0.8128 -0.5051 -0.5051 2.3286 2.3286 4.0993 4.0993 4.9105 4.9105 5.7976 5.7976 6.5318 6.5318 7.0588 7.0588 7.2522 7.2522 8.2335 8.2335 9.1779 9.1779 9.4054 9.4054 9.4495 9.4495 k = 0.0000 0.0000 0.6391 ( 4442 PWs) bands (ev): -19.9188 -19.9188 -19.8927 -19.8927 -6.7020 -6.7020 -6.6376 -6.6376 -4.8763 -4.8763 -4.8015 -4.8015 -4.7376 -4.7376 -4.5364 -4.5364 -2.2942 -2.2942 -0.8555 -0.8555 -0.4831 -0.4831 2.2485 2.2485 4.1136 4.1136 4.8789 4.8789 5.7713 5.7713 6.5390 6.5390 7.0825 7.0825 7.1945 7.1945 8.1903 8.1903 9.2892 9.2892 9.4673 9.4673 9.5151 9.5151 k = 0.0000 0.0000 0.6647 ( 4450 PWs) bands (ev): -19.9178 -19.9178 -19.8927 -19.8927 -6.7016 -6.7016 -6.6419 -6.6419 -4.8801 -4.8801 -4.7962 -4.7962 -4.7446 -4.7446 -4.5408 -4.5408 -2.2604 -2.2604 -0.9004 -0.9004 -0.4592 -0.4592 2.1684 2.1684 4.1323 4.1323 4.8518 4.8518 5.7455 5.7455 6.5454 6.5454 7.0929 7.0929 7.1399 7.1399 8.1582 8.1582 9.4114 9.4114 9.5264 9.5264 9.5888 9.5888 k = 0.0000 0.0000 0.6902 ( 4450 PWs) bands (ev): -19.9167 -19.9167 -19.8927 -19.8927 -6.7011 -6.7011 -6.6461 -6.6461 -4.8839 -4.8839 -4.7899 -4.7899 -4.7514 -4.7514 -4.5451 -4.5451 -2.2284 -2.2284 -0.9473 -0.9473 -0.4331 -0.4331 2.0882 2.0882 4.1550 4.1550 4.8293 4.8293 5.7208 5.7208 6.5510 6.5510 7.0767 7.0767 7.1024 7.1024 8.1374 8.1374 9.5419 9.5419 9.5902 9.5902 9.6619 9.6619 k = 0.0000 0.0000 0.7158 ( 4458 PWs) bands (ev): -19.9157 -19.9157 -19.8927 -19.8927 -6.7007 -6.7007 -6.6501 -6.6501 -4.8874 -4.8874 -4.7829 -4.7829 -4.7580 -4.7580 -4.5495 -4.5495 -2.1982 -2.1982 -0.9956 -0.9956 -0.4049 -0.4049 2.0079 2.0079 4.1809 4.1809 4.8111 4.8111 5.6976 5.6976 6.5560 6.5560 7.0288 7.0288 7.0886 7.0886 8.1279 8.1279 9.6523 9.6523 9.6858 9.6858 9.7321 9.7321 k = 0.0000 0.0000 0.7414 ( 4470 PWs) bands (ev): -19.9147 -19.9147 -19.8928 -19.8928 -6.7003 -6.7003 -6.6538 -6.6538 -4.8903 -4.8903 -4.7755 -4.7755 -4.7643 -4.7643 -4.5539 -4.5539 -2.1699 -2.1699 -1.0451 -1.0451 -0.3746 -0.3746 1.9276 1.9276 4.2096 4.2096 4.7970 4.7970 5.6762 5.6762 6.5604 6.5604 6.9794 6.9794 7.0699 7.0699 8.1286 8.1286 9.7273 9.7273 9.7823 9.7823 9.8412 9.8412 k = 0.0000 0.0000 0.7669 ( 4462 PWs) bands (ev): -19.9137 -19.9137 -19.8929 -19.8929 -6.6999 -6.6999 -6.6573 -6.6573 -4.8927 -4.8927 -4.7708 -4.7708 -4.7673 -4.7673 -4.5583 -4.5583 -2.1433 -2.1433 -1.0953 -1.0953 -0.3421 -0.3421 1.8472 1.8472 4.2403 4.2403 4.7868 4.7868 5.6573 5.6573 6.5641 6.5641 6.9314 6.9314 7.0453 7.0453 8.1383 8.1383 9.8001 9.8001 9.8371 9.8371 9.9937 9.9937 k = 0.0000 0.0000 0.7925 ( 4462 PWs) bands (ev): -19.9126 -19.9126 -19.8930 -19.8930 -6.6994 -6.6994 -6.6606 -6.6606 -4.8944 -4.8944 -4.7766 -4.7766 -4.7595 -4.7595 -4.5627 -4.5627 -2.1185 -2.1185 -1.1459 -1.1459 -0.3074 -0.3074 1.7668 1.7668 4.2725 4.2725 4.7800 4.7800 5.6412 5.6412 6.5671 6.5671 6.8847 6.8847 7.0165 7.0165 8.1558 8.1558 9.8462 9.8462 9.9063 9.9063 10.1531 10.1531 k = 0.0000 0.0000 0.8181 ( 4466 PWs) bands (ev): -19.9116 -19.9116 -19.8931 -19.8931 -6.6989 -6.6989 -6.6637 -6.6637 -4.8954 -4.8954 -4.7823 -4.7823 -4.7514 -4.7514 -4.5671 -4.5671 -2.0953 -2.0953 -1.1965 -1.1965 -0.2705 -0.2705 1.6865 1.6865 4.3057 4.3057 4.7762 4.7762 5.6286 5.6286 6.5695 6.5695 6.8393 6.8393 6.9851 6.9851 8.1799 8.1799 9.8610 9.8610 9.9942 9.9942 10.2682 10.2682 k = 0.0000 0.0000 0.8436 ( 4470 PWs) bands (ev): -19.9106 -19.9106 -19.8933 -19.8933 -6.6985 -6.6985 -6.6665 -6.6665 -4.8958 -4.8958 -4.7879 -4.7879 -4.7432 -4.7432 -4.5715 -4.5715 -2.0735 -2.0735 -1.2469 -1.2469 -0.2314 -0.2314 1.6062 1.6062 4.3393 4.3393 4.7746 4.7746 5.6199 5.6199 6.5711 6.5711 6.7950 6.7950 6.9523 6.9523 8.2096 8.2096 9.8551 9.8551 10.0898 10.0898 10.3344 10.3344 k = 0.0000 0.0000 0.8692 ( 4482 PWs) bands (ev): -19.9097 -19.9097 -19.8935 -19.8935 -6.6980 -6.6980 -6.6692 -6.6692 -4.8955 -4.8955 -4.7933 -4.7933 -4.7350 -4.7350 -4.5760 -4.5760 -2.0530 -2.0530 -1.2967 -1.2967 -0.1900 -0.1900 1.5261 1.5261 4.3729 4.3729 4.7747 4.7747 5.6158 5.6158 6.5718 6.5718 6.7517 6.7517 6.9194 6.9194 8.2440 8.2440 9.8319 9.8319 10.1908 10.1908 10.3952 10.3952 k = 0.0000 0.0000 0.8947 ( 4484 PWs) bands (ev): -19.9087 -19.9087 -19.8937 -19.8937 -6.6974 -6.6974 -6.6716 -6.6716 -4.8947 -4.8947 -4.7986 -4.7986 -4.7268 -4.7268 -4.5805 -4.5805 -2.0335 -2.0335 -1.3456 -1.3456 -0.1464 -0.1464 1.4463 1.4463 4.4061 4.4061 4.7757 4.7757 5.6168 5.6168 6.5708 6.5708 6.7096 6.7096 6.8871 6.8871 8.2826 8.2826 9.7941 9.7941 10.2966 10.2966 10.4526 10.4526 k = 0.0000 0.0000 0.9203 ( 4488 PWs) bands (ev): -19.9077 -19.9077 -19.8939 -19.8939 -6.6969 -6.6969 -6.6739 -6.6739 -4.8932 -4.8932 -4.8037 -4.8037 -4.7187 -4.7187 -4.5849 -4.5849 -2.0150 -2.0150 -1.3933 -1.3933 -0.1005 -0.1005 1.3667 1.3667 4.4385 4.4385 4.7771 4.7771 5.6233 5.6233 6.5665 6.5665 6.6701 6.6701 6.8560 6.8560 8.3250 8.3250 9.7449 9.7449 10.4063 10.4063 10.5080 10.5080 k = 0.0000 0.0000 0.9459 ( 4486 PWs) bands (ev): -19.9068 -19.9068 -19.8942 -19.8942 -6.6964 -6.6964 -6.6759 -6.6759 -4.8913 -4.8913 -4.8087 -4.8087 -4.7107 -4.7107 -4.5895 -4.5895 -1.9971 -1.9971 -1.4397 -1.4397 -0.0524 -0.0524 1.2876 1.2876 4.4698 4.4698 4.7780 4.7780 5.6358 5.6358 6.5542 6.5542 6.6375 6.6375 6.8264 6.8264 8.3706 8.3706 9.6869 9.6869 10.5184 10.5184 10.5642 10.5642 k = 0.0000 0.0000 0.9714 ( 4490 PWs) bands (ev): -19.9059 -19.9059 -19.8945 -19.8945 -6.6958 -6.6958 -6.6778 -6.6778 -4.8890 -4.8890 -4.8135 -4.8135 -4.7028 -4.7028 -4.5941 -4.5941 -1.9796 -1.9796 -1.4845 -1.4845 -0.0022 -0.0022 1.2089 1.2089 4.4999 4.4999 4.7780 4.7780 5.6543 5.6543 6.5276 6.5276 6.6181 6.6181 6.7987 6.7987 8.4194 8.4194 9.6227 9.6227 10.6111 10.6111 10.6439 10.6439 k = 0.0000 0.0000 0.9970 ( 4486 PWs) bands (ev): -19.9050 -19.9050 -19.8949 -19.8949 -6.6952 -6.6952 -6.6796 -6.6796 -4.8862 -4.8862 -4.8183 -4.8183 -4.6951 -4.6951 -4.5987 -4.5987 -1.9623 -1.9623 -1.5275 -1.5275 0.0502 0.0502 1.1309 1.1309 4.5286 4.5286 4.7767 4.7767 5.6790 5.6790 6.4880 6.4880 6.6103 6.6103 6.7730 6.7730 8.4710 8.4710 9.5540 9.5540 10.6727 10.6727 10.7598 10.7598 k = 0.0000 0.0000 1.0226 ( 4486 PWs) bands (ev): -19.9041 -19.9041 -19.8953 -19.8953 -6.6946 -6.6946 -6.6812 -6.6812 -4.8830 -4.8830 -4.8231 -4.8231 -4.6875 -4.6875 -4.6035 -4.6035 -1.9448 -1.9448 -1.5687 -1.5687 0.1048 0.1048 1.0536 1.0536 4.5558 4.5558 4.7737 4.7737 5.7097 5.7097 6.4412 6.4412 6.6083 6.6083 6.7495 6.7495 8.5253 8.5253 9.4824 9.4824 10.7357 10.7357 10.8794 10.8794 k = 0.0000 0.0000 1.0481 ( 4486 PWs) bands (ev): -19.9033 -19.9033 -19.8957 -19.8957 -6.6940 -6.6940 -6.6826 -6.6826 -4.8796 -4.8796 -4.8277 -4.8277 -4.6802 -4.6802 -4.6083 -4.6083 -1.9270 -1.9270 -1.6078 -1.6078 0.1614 0.1614 0.9771 0.9771 4.5815 4.5815 4.7689 4.7689 5.7460 5.7460 6.3904 6.3904 6.6089 6.6089 6.7280 6.7280 8.5822 8.5822 9.4091 9.4091 10.8037 10.8037 10.9983 10.9983 k = 0.0000 0.0000 1.0737 ( 4486 PWs) bands (ev): -19.9025 -19.9025 -19.8961 -19.8961 -6.6933 -6.6933 -6.6840 -6.6840 -4.8759 -4.8759 -4.8323 -4.8323 -4.6730 -4.6730 -4.6133 -4.6133 -1.9086 -1.9086 -1.6449 -1.6449 0.2201 0.2201 0.9015 0.9015 4.6055 4.6055 4.7622 4.7622 5.7876 5.7876 6.3368 6.3368 6.6111 6.6111 6.7087 6.7087 8.6414 8.6414 9.3348 9.3348 10.8775 10.8775 11.1126 11.1126 k = 0.0000 0.0000 1.0993 ( 4486 PWs) bands (ev): -19.9017 -19.9017 -19.8966 -19.8966 -6.6926 -6.6926 -6.6853 -6.6853 -4.8720 -4.8720 -4.8369 -4.8369 -4.6661 -4.6661 -4.6184 -4.6184 -1.8893 -1.8893 -1.6799 -1.6799 0.2807 0.2807 0.8270 0.8270 4.6281 4.6281 4.7538 4.7538 5.8336 5.8336 6.2812 6.2812 6.6146 6.6146 6.6914 6.6914 8.7030 8.7030 9.2604 9.2604 10.9571 10.9571 11.2162 11.2162 k = 0.0000 0.0000 1.1248 ( 4470 PWs) bands (ev): -19.9009 -19.9009 -19.8971 -19.8971 -6.6919 -6.6919 -6.6864 -6.6864 -4.8679 -4.8679 -4.8415 -4.8415 -4.6594 -4.6594 -4.6237 -4.6237 -1.8688 -1.8688 -1.7127 -1.7127 0.3432 0.3432 0.7536 0.7536 4.6491 4.6491 4.7435 4.7435 5.8836 5.8836 6.2241 6.2241 6.6193 6.6193 6.6761 6.6761 8.7667 8.7667 9.1863 9.1863 11.0416 11.0416 11.2978 11.2978 k = 0.0000 0.0000 1.1504 ( 4482 PWs) bands (ev): -19.9002 -19.9002 -19.8977 -19.8977 -6.6911 -6.6911 -6.6875 -6.6875 -4.8636 -4.8636 -4.8460 -4.8460 -4.6529 -4.6529 -4.6292 -4.6292 -1.8471 -1.8471 -1.7435 -1.7435 0.4076 0.4076 0.6815 0.6815 4.6686 4.6686 4.7316 4.7316 5.9367 5.9367 6.1660 6.1660 6.6252 6.6252 6.6626 6.6626 8.8325 8.8325 9.1129 9.1129 11.1285 11.1285 11.3415 11.3415 k = 0.0000 0.0000 1.1760 ( 4480 PWs) bands (ev): -19.8995 -19.8995 -19.8983 -19.8983 -6.6903 -6.6903 -6.6885 -6.6885 -4.8593 -4.8593 -4.8505 -4.8505 -4.6467 -4.6467 -4.6348 -4.6348 -1.8239 -1.8239 -1.7722 -1.7722 0.4737 0.4737 0.6107 0.6107 4.6866 4.6866 4.7181 4.7181 5.9922 5.9922 6.1076 6.1076 6.6324 6.6324 6.6509 6.6509 8.9002 8.9002 9.0406 9.0406 11.2134 11.2134 11.3359 11.3359 k = 0.0000 0.0000 1.2015 ( 4484 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6894 -6.6894 -6.6894 -6.6894 -4.8549 -4.8549 -4.8549 -4.8549 -4.6406 -4.6406 -4.6406 -4.6406 -1.7989 -1.7989 -1.7989 -1.7989 0.5414 0.5414 0.5414 0.5414 4.7031 4.7031 4.7031 4.7031 6.0494 6.0494 6.0494 6.0494 6.6409 6.6409 6.6409 6.6409 8.9696 8.9696 8.9696 8.9696 11.2874 11.2874 11.2874 11.2874 k = 0.0000 0.0000 1.2015 ( 4484 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6894 -6.6894 -6.6894 -6.6894 -4.8549 -4.8549 -4.8549 -4.8549 -4.6406 -4.6406 -4.6406 -4.6406 -1.7989 -1.7989 -1.7989 -1.7989 0.5414 0.5414 0.5414 0.5414 4.7031 4.7031 4.7031 4.7031 6.0494 6.0494 6.0494 6.0494 6.6409 6.6409 6.6409 6.6409 8.9696 8.9696 8.9696 8.9696 11.2874 11.2874 11.2874 11.2874 k =-0.0105 0.0229 1.2015 ( 4488 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6902 -6.6902 -6.6886 -6.6886 -4.8585 -4.8585 -4.8516 -4.8516 -4.6423 -4.6423 -4.6389 -4.6389 -1.7997 -1.7997 -1.7975 -1.7975 0.5415 0.5415 0.5427 0.5427 4.7025 4.7025 4.7044 4.7044 6.0437 6.0437 6.0558 6.0558 6.6364 6.6364 6.6441 6.6441 8.9673 8.9673 8.9693 8.9693 11.2838 11.2838 11.2840 11.2840 k =-0.0209 0.0458 1.2015 ( 4496 PWs) bands (ev): -19.8990 -19.8990 -19.8990 -19.8990 -6.6909 -6.6909 -6.6877 -6.6877 -4.8621 -4.8621 -4.8484 -4.8484 -4.6438 -4.6438 -4.6371 -4.6371 -1.7999 -1.7999 -1.7954 -1.7954 0.5430 0.5430 0.5454 0.5454 4.7027 4.7027 4.7064 4.7064 6.0386 6.0386 6.0626 6.0626 6.6306 6.6306 6.6458 6.6458 8.9625 8.9625 8.9665 8.9665 11.2733 11.2733 11.2737 11.2737 k =-0.0314 0.0686 1.2015 ( 4488 PWs) bands (ev): -19.8990 -19.8990 -19.8990 -19.8990 -6.6916 -6.6916 -6.6868 -6.6868 -4.8660 -4.8660 -4.8455 -4.8455 -4.6453 -4.6453 -4.6353 -4.6353 -1.7994 -1.7994 -1.7927 -1.7927 0.5459 0.5459 0.5494 0.5494 4.7035 4.7035 4.7091 4.7091 6.0342 6.0342 6.0697 6.0697 6.6238 6.6238 6.6462 6.6462 8.9555 8.9555 8.9616 8.9616 11.2560 11.2560 11.2564 11.2564 k =-0.0419 0.0915 1.2015 ( 4492 PWs) bands (ev): -19.8991 -19.8991 -19.8991 -19.8991 -6.6922 -6.6922 -6.6859 -6.6859 -4.8699 -4.8699 -4.8428 -4.8428 -4.6466 -4.6466 -4.6334 -4.6334 -1.7984 -1.7984 -1.7895 -1.7895 0.5503 0.5503 0.5550 0.5550 4.7049 4.7049 4.7122 4.7122 6.0303 6.0303 6.0769 6.0769 6.6165 6.6165 6.6455 6.6455 8.9466 8.9466 8.9550 8.9550 11.2320 11.2320 11.2320 11.2320 k =-0.0524 0.1144 1.2015 ( 4484 PWs) bands (ev): -19.8993 -19.8993 -19.8993 -19.8993 -6.6927 -6.6927 -6.6849 -6.6849 -4.8739 -4.8739 -4.8402 -4.8402 -4.6478 -4.6478 -4.6314 -4.6314 -1.7971 -1.7971 -1.7859 -1.7859 0.5563 0.5563 0.5621 0.5621 4.7067 4.7067 4.7157 4.7157 6.0270 6.0270 6.0839 6.0839 6.6092 6.6092 6.6441 6.6441 8.9366 8.9366 8.9473 8.9473 11.2006 11.2006 11.2012 11.2012 k =-0.0524 0.1144 1.2015 ( 4484 PWs) bands (ev): -19.8993 -19.8993 -19.8993 -19.8993 -6.6927 -6.6927 -6.6849 -6.6849 -4.8739 -4.8739 -4.8402 -4.8402 -4.6478 -4.6478 -4.6314 -4.6314 -1.7971 -1.7971 -1.7859 -1.7859 0.5563 0.5563 0.5621 0.5621 4.7067 4.7067 4.7157 4.7157 6.0270 6.0270 6.0839 6.0839 6.6092 6.6092 6.6441 6.6441 8.9366 8.9366 8.9473 8.9473 11.2006 11.2006 11.2012 11.2012 k =-0.0598 0.1307 1.1836 ( 4492 PWs) bands (ev): -19.8999 -19.8999 -19.8990 -19.8990 -6.6931 -6.6931 -6.6841 -6.6841 -4.8771 -4.8771 -4.8383 -4.8383 -4.6496 -4.6496 -4.6291 -4.6291 -1.8077 -1.8077 -1.7705 -1.7705 0.5172 0.5172 0.6134 0.6134 4.7028 4.7028 4.7228 4.7228 6.0073 6.0073 6.1067 6.1067 6.6037 6.6037 6.6440 6.6440 8.8855 8.8855 8.9857 8.9857 11.1095 11.1095 11.2296 11.2296 k =-0.0673 0.1470 1.1657 ( 4489 PWs) bands (ev): -19.9005 -19.9005 -19.8987 -19.8987 -6.6935 -6.6935 -6.6833 -6.6833 -4.8807 -4.8807 -4.8360 -4.8360 -4.6525 -4.6525 -4.6257 -4.6257 -1.8212 -1.8212 -1.7503 -1.7503 0.4770 0.4770 0.6689 0.6689 4.6966 4.6966 4.7305 4.7305 5.9765 5.9765 6.1415 6.1415 6.5980 6.5980 6.6457 6.6457 8.8304 8.8304 9.0297 9.0297 11.0039 11.0039 11.2464 11.2464 k =-0.0747 0.1633 1.1477 ( 4493 PWs) bands (ev): -19.9011 -19.9011 -19.8985 -19.8985 -6.6938 -6.6938 -6.6824 -6.6824 -4.8846 -4.8846 -4.8335 -4.8335 -4.6559 -4.6559 -4.6216 -4.6216 -1.8338 -1.8338 -1.7292 -1.7292 0.4384 0.4384 0.7259 0.7259 4.6906 4.6906 4.7361 4.7361 5.9461 5.9461 6.1770 6.1770 6.5928 6.5928 6.6489 6.6489 8.7761 8.7761 9.0747 9.0747 10.8886 10.8886 11.2459 11.2459 k =-0.0822 0.1796 1.1298 ( 4485 PWs) bands (ev): -19.9017 -19.9017 -19.8983 -19.8983 -6.6940 -6.6940 -6.6815 -6.6815 -4.8888 -4.8888 -4.8309 -4.8309 -4.6595 -4.6595 -4.6173 -4.6173 -1.8453 -1.8453 -1.7075 -1.7075 0.4015 0.4015 0.7843 0.7843 4.6851 4.6851 4.7388 4.7388 5.9180 5.9180 6.2108 6.2108 6.5885 6.5885 6.6534 6.6534 8.7231 8.7231 9.1206 9.1206 10.7669 10.7669 11.2233 11.2233 k =-0.0897 0.1959 1.1119 ( 4483 PWs) bands (ev): -19.9024 -19.9024 -19.8981 -19.8981 -6.6942 -6.6942 -6.6806 -6.6806 -4.8933 -4.8933 -4.8283 -4.8283 -4.6631 -4.6631 -4.6128 -4.6128 -1.8558 -1.8558 -1.6854 -1.6854 0.3663 0.3663 0.8440 0.8440 4.6801 4.6801 4.7384 4.7384 5.8933 5.8933 6.2420 6.2420 6.5853 6.5853 6.6592 6.6592 8.6716 8.6716 9.1674 9.1674 10.6414 10.6414 11.1774 11.1774 k =-0.0971 0.2122 1.0939 ( 4477 PWs) bands (ev): -19.9030 -19.9030 -19.8979 -19.8979 -6.6943 -6.6943 -6.6797 -6.6797 -4.8979 -4.8979 -4.8258 -4.8258 -4.6666 -4.6666 -4.6081 -4.6081 -1.8654 -1.8654 -1.6629 -1.6629 0.3328 0.3328 0.9050 0.9050 4.6757 4.6757 4.7346 4.7346 5.8725 5.8725 6.2698 6.2698 6.5834 6.5834 6.6663 6.6663 8.6217 8.6217 9.2150 9.2150 10.5141 10.5141 11.1121 11.1121 k =-0.1046 0.2285 1.0760 ( 4485 PWs) bands (ev): -19.9037 -19.9037 -19.8978 -19.8978 -6.6944 -6.6944 -6.6789 -6.6789 -4.9026 -4.9026 -4.8234 -4.8234 -4.6698 -4.6698 -4.6033 -4.6033 -1.8740 -1.8740 -1.6402 -1.6402 0.3011 0.3011 0.9671 0.9671 4.6720 4.6720 4.7273 4.7273 5.8559 5.8559 6.2935 6.2935 6.5830 6.5830 6.6751 6.6751 8.5735 8.5735 9.2632 9.2632 10.3873 10.3873 11.0333 11.0333 k =-0.1120 0.2448 1.0581 ( 4491 PWs) bands (ev): -19.9044 -19.9044 -19.8978 -19.8978 -6.6944 -6.6944 -6.6781 -6.6781 -4.9074 -4.9074 -4.8212 -4.8212 -4.6728 -4.6728 -4.5983 -4.5983 -1.8818 -1.8818 -1.6174 -1.6174 0.2711 0.2711 1.0302 1.0302 4.6687 4.6687 4.7164 4.7164 5.8438 5.8438 6.3127 6.3127 6.5840 6.5840 6.6855 6.6855 8.5267 8.5267 9.3119 9.3119 10.2627 10.2627 10.9461 10.9461 k =-0.1195 0.2611 1.0402 ( 4489 PWs) bands (ev): -19.9051 -19.9051 -19.8977 -19.8977 -6.6944 -6.6944 -6.6773 -6.6773 -4.9123 -4.9123 -4.8193 -4.8193 -4.6753 -4.6753 -4.5932 -4.5932 -1.8889 -1.8889 -1.5946 -1.5946 0.2428 0.2428 1.0942 1.0942 4.6658 4.6658 4.7022 4.7022 5.8362 5.8362 6.3270 6.3270 6.5864 6.5864 6.6976 6.6976 8.4809 8.4809 9.3607 9.3607 10.1425 10.1425 10.8547 10.8547 k =-0.1270 0.2774 1.0222 ( 4491 PWs) bands (ev): -19.9058 -19.9058 -19.8977 -19.8977 -6.6944 -6.6944 -6.6766 -6.6766 -4.9173 -4.9173 -4.8177 -4.8177 -4.6774 -4.6774 -4.5880 -4.5880 -1.8953 -1.8953 -1.5720 -1.5720 0.2162 0.2162 1.1590 1.1590 4.6627 4.6627 4.6857 4.6857 5.8329 5.8329 6.3361 6.3361 6.5904 6.5904 6.7115 6.7115 8.4354 8.4354 9.4091 9.4091 10.0288 10.0288 10.7618 10.7618 k =-0.1344 0.2937 1.0043 ( 4484 PWs) bands (ev): -19.9065 -19.9065 -19.8977 -19.8977 -6.6943 -6.6943 -6.6760 -6.6760 -4.9223 -4.9223 -4.8166 -4.8166 -4.6788 -4.6788 -4.5827 -4.5827 -1.9011 -1.9011 -1.5496 -1.5496 0.1912 0.1912 1.2243 1.2243 4.6550 4.6550 4.6714 4.6714 5.8337 5.8337 6.3401 6.3401 6.5957 6.5957 6.7271 6.7271 8.3894 8.3894 9.4565 9.4565 9.9238 9.9238 10.6696 10.6696 k =-0.1419 0.3100 0.9864 ( 4484 PWs) bands (ev): -19.9072 -19.9072 -19.8977 -19.8977 -6.6941 -6.6941 -6.6754 -6.6754 -4.9272 -4.9272 -4.8159 -4.8159 -4.6795 -4.6795 -4.5773 -4.5773 -1.9064 -1.9064 -1.5277 -1.5277 0.1679 0.1679 1.2899 1.2899 4.6359 4.6359 4.6666 4.6666 5.8383 5.8383 6.3389 6.3389 6.6025 6.6025 6.7444 6.7444 8.3417 8.3417 9.5021 9.5021 9.8297 9.8297 10.5799 10.5799 k =-0.1493 0.3263 0.9684 ( 4482 PWs) bands (ev): -19.9078 -19.9078 -19.8977 -19.8977 -6.6940 -6.6940 -6.6750 -6.6750 -4.9321 -4.9321 -4.8158 -4.8158 -4.6796 -4.6796 -4.5720 -4.5720 -1.9112 -1.9112 -1.5063 -1.5063 0.1462 0.1462 1.3557 1.3557 4.6115 4.6115 4.6656 4.6656 5.8462 5.8462 6.3328 6.3328 6.6106 6.6106 6.7632 6.7632 8.2913 8.2913 9.5442 9.5442 9.7486 9.7486 10.4947 10.4947 k =-0.1568 0.3426 0.9505 ( 4481 PWs) bands (ev): -19.9085 -19.9085 -19.8977 -19.8977 -6.6938 -6.6938 -6.6746 -6.6746 -4.9369 -4.9369 -4.8162 -4.8162 -4.6789 -4.6789 -4.5666 -4.5666 -1.9156 -1.9156 -1.4855 -1.4855 0.1260 0.1260 1.4213 1.4213 4.5850 4.5850 4.6658 4.6658 5.8570 5.8570 6.3221 6.3221 6.6201 6.6201 6.7833 6.7833 8.2370 8.2370 9.5797 9.5797 9.6838 9.6838 10.4162 10.4162 k =-0.1643 0.3589 0.9326 ( 4479 PWs) bands (ev): -19.9091 -19.9091 -19.8978 -19.8978 -6.6937 -6.6937 -6.6742 -6.6742 -4.9416 -4.9416 -4.8171 -4.8171 -4.6776 -4.6776 -4.5613 -4.5613 -1.9196 -1.9196 -1.4655 -1.4655 0.1073 0.1073 1.4865 1.4865 4.5575 4.5575 4.6668 4.6668 5.8700 5.8700 6.3072 6.3072 6.6308 6.6308 6.8047 6.8047 8.1783 8.1783 9.5959 9.5959 9.6463 9.6463 10.3472 10.3472 k =-0.1717 0.3752 0.9147 ( 4477 PWs) bands (ev): -19.9098 -19.9098 -19.8979 -19.8979 -6.6935 -6.6935 -6.6739 -6.6739 -4.9462 -4.9462 -4.8184 -4.8184 -4.6757 -4.6757 -4.5560 -4.5560 -1.9233 -1.9233 -1.4463 -1.4463 0.0901 0.0901 1.5509 1.5509 4.5294 4.5294 4.6683 4.6683 5.8848 5.8848 6.2886 6.2886 6.6426 6.6426 6.8272 6.8272 8.1152 8.1152 9.5764 9.5764 9.6498 9.6498 10.2914 10.2914 k =-0.1792 0.3915 0.8967 ( 4477 PWs) bands (ev): -19.9104 -19.9104 -19.8979 -19.8979 -6.6934 -6.6934 -6.6737 -6.6737 -4.9505 -4.9505 -4.8201 -4.8201 -4.6732 -4.6732 -4.5509 -4.5509 -1.9266 -1.9266 -1.4281 -1.4281 0.0744 0.0744 1.6142 1.6142 4.5013 4.5013 4.6704 4.6704 5.9009 5.9009 6.2667 6.2667 6.6555 6.6555 6.8507 6.8507 8.0480 8.0480 9.5561 9.5561 9.6554 9.6554 10.2527 10.2527 k =-0.1867 0.4079 0.8788 ( 4479 PWs) bands (ev): -19.9109 -19.9109 -19.8980 -19.8980 -6.6932 -6.6932 -6.6736 -6.6736 -4.9547 -4.9547 -4.8220 -4.8220 -4.6704 -4.6704 -4.5459 -4.5459 -1.9297 -1.9297 -1.4110 -1.4110 0.0600 0.0600 1.6759 1.6759 4.4738 4.4738 4.6728 4.6728 5.9178 5.9178 6.2421 6.2421 6.6692 6.6692 6.8752 6.8752 7.9779 7.9779 9.5458 9.5458 9.6486 9.6486 10.2337 10.2337 k =-0.1941 0.4242 0.8609 ( 4480 PWs) bands (ev): -19.9115 -19.9115 -19.8981 -19.8981 -6.6930 -6.6930 -6.6735 -6.6735 -4.9586 -4.9586 -4.8242 -4.8242 -4.6672 -4.6672 -4.5412 -4.5412 -1.9325 -1.9325 -1.3949 -1.3949 0.0469 0.0469 1.7355 1.7355 4.4471 4.4471 4.6757 4.6757 5.9351 5.9351 6.2153 6.2153 6.6835 6.6835 6.9005 6.9005 7.9061 7.9061 9.5435 9.5435 9.6304 9.6304 10.2345 10.2345 k =-0.2016 0.4405 0.8430 ( 4478 PWs) bands (ev): -19.9120 -19.9120 -19.8982 -19.8982 -6.6929 -6.6929 -6.6734 -6.6734 -4.9622 -4.9622 -4.8265 -4.8265 -4.6638 -4.6638 -4.5367 -4.5367 -1.9350 -1.9350 -1.3800 -1.3800 0.0352 0.0352 1.7927 1.7927 4.4217 4.4217 4.6789 4.6789 5.9523 5.9523 6.1872 6.1872 6.6982 6.6982 6.9266 6.9266 7.8340 7.8340 9.5400 9.5400 9.6115 9.6115 10.2518 10.2518 k =-0.2090 0.4568 0.8250 ( 4477 PWs) bands (ev): -19.9124 -19.9124 -19.8983 -19.8983 -6.6928 -6.6928 -6.6734 -6.6734 -4.9656 -4.9656 -4.8288 -4.8288 -4.6604 -4.6604 -4.5325 -4.5325 -1.9373 -1.9373 -1.3664 -1.3664 0.0246 0.0246 1.8468 1.8468 4.3979 4.3979 4.6824 4.6824 5.9691 5.9691 6.1582 6.1582 6.7131 6.7131 6.9532 6.9532 7.7630 7.7630 9.5180 9.5180 9.6116 9.6116 10.2815 10.2815 k =-0.2165 0.4731 0.8071 ( 4481 PWs) bands (ev): -19.9128 -19.9128 -19.8984 -19.8984 -6.6927 -6.6927 -6.6734 -6.6734 -4.9686 -4.9686 -4.8311 -4.8311 -4.6570 -4.6570 -4.5286 -4.5286 -1.9394 -1.9394 -1.3541 -1.3541 0.0153 0.0153 1.8973 1.8973 4.3759 4.3759 4.6860 4.6860 5.9851 5.9851 6.1293 6.1293 6.7277 6.7277 6.9804 6.9804 7.6942 7.6942 9.4801 9.4801 9.6301 9.6301 10.3199 10.3199 k =-0.2240 0.4894 0.7892 ( 4484 PWs) bands (ev): -19.9132 -19.9132 -19.8984 -19.8984 -6.6926 -6.6926 -6.6734 -6.6734 -4.9713 -4.9713 -4.8332 -4.8332 -4.6537 -4.6537 -4.5251 -4.5251 -1.9412 -1.9412 -1.3432 -1.3432 0.0072 0.0072 1.9437 1.9437 4.3559 4.3559 4.6897 4.6897 5.9998 5.9998 6.1013 6.1013 6.7417 6.7417 7.0079 7.0079 7.6288 7.6288 9.4380 9.4380 9.6561 9.6561 10.3641 10.3641 k =-0.2314 0.5057 0.7712 ( 4480 PWs) bands (ev): -19.9136 -19.9136 -19.8985 -19.8985 -6.6925 -6.6925 -6.6735 -6.6735 -4.9737 -4.9737 -4.8352 -4.8352 -4.6507 -4.6507 -4.5219 -4.5219 -1.9428 -1.9428 -1.3336 -1.3336 0.0002 0.0002 1.9854 1.9854 4.3383 4.3383 4.6933 4.6933 6.0128 6.0128 6.0751 6.0751 6.7549 6.7549 7.0357 7.0357 7.5674 7.5674 9.3968 9.3968 9.6844 9.6844 10.4120 10.4120 k =-0.2389 0.5220 0.7533 ( 4478 PWs) bands (ev): -19.9138 -19.9138 -19.8986 -19.8986 -6.6924 -6.6924 -6.6735 -6.6735 -4.9758 -4.9758 -4.8370 -4.8370 -4.6480 -4.6480 -4.5192 -4.5192 -1.9442 -1.9442 -1.3255 -1.3255 -0.0056 -0.0056 2.0219 2.0219 4.3231 4.3231 4.6967 4.6967 6.0227 6.0227 6.0527 6.0527 6.7668 6.7668 7.0635 7.0635 7.5108 7.5108 9.3592 9.3592 9.7117 9.7117 10.4619 10.4619 k =-0.2463 0.5383 0.7354 ( 4475 PWs) bands (ev): -19.9141 -19.9141 -19.8986 -19.8986 -6.6924 -6.6924 -6.6736 -6.6736 -4.9775 -4.9775 -4.8385 -4.8385 -4.6457 -4.6457 -4.5170 -4.5170 -1.9453 -1.9453 -1.3188 -1.3188 -0.0104 -0.0104 2.0525 2.0525 4.3105 4.3105 4.6998 4.6998 6.0213 6.0213 6.0429 6.0429 6.7771 6.7771 7.0910 7.0910 7.4595 7.4595 9.3268 9.3268 9.7359 9.7359 10.5112 10.5112 k =-0.2538 0.5546 0.7175 ( 4469 PWs) bands (ev): -19.9143 -19.9143 -19.8987 -19.8987 -6.6923 -6.6923 -6.6736 -6.6736 -4.9788 -4.9788 -4.8397 -4.8397 -4.6438 -4.6438 -4.5152 -4.5152 -1.9462 -1.9462 -1.3135 -1.3135 -0.0141 -0.0141 2.0769 2.0769 4.3006 4.3006 4.7024 4.7024 6.0076 6.0076 6.0472 6.0472 6.7855 6.7855 7.1176 7.1176 7.4145 7.4145 9.3006 9.3006 9.7552 9.7552 10.5525 10.5525 k =-0.2613 0.5709 0.6995 ( 4471 PWs) bands (ev): -19.9144 -19.9144 -19.8987 -19.8987 -6.6923 -6.6923 -6.6736 -6.6736 -4.9797 -4.9797 -4.8405 -4.8405 -4.6425 -4.6425 -4.5140 -4.5140 -1.9468 -1.9468 -1.3098 -1.3098 -0.0167 -0.0167 2.0946 2.0946 4.2934 4.2934 4.7044 4.7044 5.9954 5.9954 6.0522 6.0522 6.7917 6.7917 7.1416 7.1416 7.3772 7.3772 9.2814 9.2814 9.7690 9.7690 10.5786 10.5786 k =-0.2687 0.5872 0.6816 ( 4465 PWs) bands (ev): -19.9145 -19.9145 -19.8987 -19.8987 -6.6923 -6.6923 -6.6736 -6.6736 -4.9803 -4.9803 -4.8411 -4.8411 -4.6417 -4.6417 -4.5132 -4.5132 -1.9472 -1.9472 -1.3075 -1.3075 -0.0183 -0.0183 2.1053 2.1053 4.2891 4.2891 4.7056 4.7056 5.9877 5.9877 6.0555 6.0555 6.7955 6.7955 7.1600 7.1600 7.3509 7.3509 9.2697 9.2697 9.7772 9.7772 10.6009 10.6009 k =-0.2762 0.6035 0.6637 ( 4463 PWs) bands (ev): -19.9145 -19.9145 -19.8987 -19.8987 -6.6923 -6.6923 -6.6737 -6.6737 -4.9805 -4.9805 -4.8413 -4.8413 -4.6414 -4.6414 -4.5129 -4.5129 -1.9473 -1.9473 -1.3068 -1.3068 -0.0188 -0.0188 2.1089 2.1089 4.2877 4.2877 4.7061 4.7061 5.9850 5.9850 6.0566 6.0566 6.7967 6.7967 7.1673 7.1673 7.3410 7.3410 9.2658 9.2658 9.7799 9.7799 10.6117 10.6117 k =-0.2762 0.6035 0.6637 ( 4463 PWs) bands (ev): -19.9145 -19.9145 -19.8987 -19.8987 -6.6923 -6.6923 -6.6737 -6.6737 -4.9805 -4.9805 -4.8413 -4.8413 -4.6414 -4.6414 -4.5129 -4.5129 -1.9473 -1.9473 -1.3068 -1.3068 -0.0188 -0.0188 2.1089 2.1089 4.2877 4.2877 4.7061 4.7061 5.9850 5.9850 6.0566 6.0566 6.7967 6.7967 7.1673 7.1673 7.3410 7.3410 9.2658 9.2658 9.7799 9.7799 10.6117 10.6117 k =-0.2687 0.5872 0.6457 ( 4463 PWs) bands (ev): -19.9148 -19.9148 -19.8982 -19.8982 -6.6928 -6.6928 -6.6748 -6.6748 -4.9803 -4.9803 -4.8455 -4.8455 -4.6439 -4.6439 -4.5099 -4.5099 -1.9520 -1.9520 -1.2532 -1.2532 -0.0823 -0.0823 2.1182 2.1182 4.3124 4.3124 4.7003 4.7003 5.9627 5.9627 6.0484 6.0484 6.7548 6.7548 7.1639 7.1639 7.4116 7.4116 9.2285 9.2285 9.7286 9.7286 10.5938 10.5938 k =-0.2613 0.5709 0.6278 ( 4471 PWs) bands (ev): -19.9152 -19.9152 -19.8976 -19.8976 -6.6933 -6.6933 -6.6754 -6.6754 -4.9792 -4.9792 -4.8493 -4.8493 -4.6465 -4.6465 -4.5069 -4.5069 -1.9598 -1.9598 -1.2000 -1.2000 -0.1422 -0.1422 2.1280 2.1280 4.3406 4.3406 4.6963 4.6963 5.9422 5.9422 6.0411 6.0411 6.7155 6.7155 7.1614 7.1614 7.4842 7.4842 9.1856 9.1856 9.6816 9.6816 10.5313 10.5313 k =-0.2538 0.5545 0.6099 ( 4475 PWs) bands (ev): -19.9157 -19.9157 -19.8971 -19.8971 -6.6938 -6.6938 -6.6754 -6.6754 -4.9772 -4.9772 -4.8529 -4.8529 -4.6491 -4.6491 -4.5041 -4.5041 -1.9711 -1.9711 -1.1472 -1.1472 -0.1985 -0.1985 2.1388 2.1388 4.3722 4.3722 4.6940 4.6940 5.9235 5.9235 6.0348 6.0348 6.6786 6.6786 7.1602 7.1602 7.5585 7.5585 9.1392 9.1392 9.6387 9.6387 10.4703 10.4703 k =-0.2463 0.5382 0.5919 ( 4481 PWs) bands (ev): -19.9161 -19.9161 -19.8966 -19.8966 -6.6945 -6.6945 -6.6746 -6.6746 -4.9743 -4.9743 -4.8562 -4.8562 -4.6518 -4.6518 -4.5013 -4.5013 -1.9859 -1.9859 -1.0952 -1.0952 -0.2508 -0.2508 2.1508 2.1508 4.4071 4.4071 4.6934 4.6934 5.9061 5.9061 6.0294 6.0294 6.6442 6.6442 7.1609 7.1609 7.6343 7.6343 9.0911 9.0911 9.6002 9.6002 10.4124 10.4124 k =-0.2389 0.5219 0.5740 ( 4477 PWs) bands (ev): -19.9166 -19.9166 -19.8962 -19.8962 -6.6953 -6.6953 -6.6732 -6.6732 -4.9704 -4.9704 -4.8591 -4.8591 -4.6544 -4.6544 -4.4986 -4.4986 -2.0043 -2.0043 -1.0442 -1.0442 -0.2992 -0.2992 2.1642 2.1642 4.4451 4.4451 4.6945 4.6945 5.8898 5.8898 6.0251 6.0251 6.6121 6.6121 7.1639 7.1639 7.7114 7.7114 9.0423 9.0423 9.5659 9.5659 10.3582 10.3582 k =-0.2314 0.5056 0.5560 ( 4465 PWs) bands (ev): -19.9172 -19.9172 -19.8958 -19.8958 -6.6961 -6.6961 -6.6710 -6.6710 -4.9655 -4.9655 -4.8619 -4.8619 -4.6570 -4.6570 -4.4961 -4.4961 -2.0262 -2.0262 -0.9945 -0.9945 -0.3435 -0.3435 2.1796 2.1796 4.4861 4.4861 4.6974 4.6974 5.8740 5.8740 6.0218 6.0218 6.5823 6.5823 7.1698 7.1698 7.7897 7.7897 8.9939 8.9939 9.5358 9.5358 10.3077 10.3077 k =-0.2239 0.4893 0.5381 ( 4477 PWs) bands (ev): -19.9178 -19.9178 -19.8954 -19.8954 -6.6970 -6.6970 -6.6683 -6.6683 -4.9597 -4.9597 -4.8643 -4.8643 -4.6594 -4.6594 -4.4936 -4.4936 -2.0517 -2.0517 -0.9464 -0.9464 -0.3837 -0.3837 2.1972 2.1972 4.5299 4.5299 4.7020 4.7020 5.8583 5.8583 6.0196 6.0196 6.5546 6.5546 7.1791 7.1791 7.8689 7.8689 8.9465 8.9465 9.5098 9.5098 10.2612 10.2612 k =-0.2165 0.4730 0.5202 ( 4473 PWs) bands (ev): -19.9184 -19.9184 -19.8951 -19.8951 -6.6980 -6.6980 -6.6650 -6.6650 -4.9530 -4.9530 -4.8666 -4.8666 -4.6616 -4.6616 -4.4914 -4.4914 -2.0805 -2.0805 -0.9002 -0.9002 -0.4200 -0.4200 2.2175 2.2175 4.5763 4.5763 4.7083 4.7083 5.8422 5.8422 6.0184 6.0184 6.5290 6.5290 7.1924 7.1924 7.9488 7.9488 8.9007 8.9007 9.4878 9.4878 10.2188 10.2188 k =-0.2090 0.4567 0.5022 ( 4465 PWs) bands (ev): -19.9190 -19.9190 -19.8948 -19.8948 -6.6988 -6.6988 -6.6612 -6.6612 -4.9452 -4.9452 -4.8688 -4.8688 -4.6636 -4.6636 -4.4893 -4.4893 -2.1126 -2.1126 -0.8562 -0.8562 -0.4523 -0.4523 2.2408 2.2408 4.6250 4.6250 4.7165 4.7165 5.8254 5.8254 6.0184 6.0184 6.5054 6.5054 7.2099 7.2099 8.0291 8.0291 8.8570 8.8570 9.4696 9.4696 10.1806 10.1806 k =-0.2015 0.4404 0.4843 ( 4463 PWs) bands (ev): -19.9196 -19.9196 -19.8945 -19.8945 -6.6997 -6.6997 -6.6569 -6.6569 -4.9366 -4.9366 -4.8708 -4.8708 -4.6652 -4.6652 -4.4873 -4.4873 -2.1477 -2.1477 -0.8146 -0.8146 -0.4808 -0.4808 2.2675 2.2675 4.6752 4.6752 4.7270 4.7270 5.8074 5.8074 6.0195 6.0195 6.4836 6.4836 7.2321 7.2321 8.1096 8.1096 8.8157 8.8157 9.4548 9.4548 10.1467 10.1467 k =-0.1941 0.4241 0.4664 ( 4463 PWs) bands (ev): -19.9203 -19.9203 -19.8943 -19.8943 -6.7005 -6.7005 -6.6523 -6.6523 -4.9270 -4.9270 -4.8727 -4.8727 -4.6664 -4.6664 -4.4855 -4.4855 -2.1856 -2.1856 -0.7758 -0.7758 -0.5057 -0.5057 2.2979 2.2979 4.7207 4.7207 4.7458 4.7458 5.7880 5.7880 6.0216 6.0216 6.4636 6.4636 7.2592 7.2592 8.1900 8.1900 8.7770 8.7770 9.4431 9.4431 10.1172 10.1172 k =-0.1866 0.4078 0.4484 ( 4459 PWs) bands (ev): -19.9210 -19.9210 -19.8941 -19.8941 -6.7012 -6.7012 -6.6473 -6.6473 -4.9166 -4.9166 -4.8744 -4.8744 -4.6672 -4.6672 -4.4838 -4.4838 -2.2260 -2.2260 -0.7403 -0.7403 -0.5269 -0.5269 2.3324 2.3324 4.7426 4.7426 4.7916 4.7916 5.7670 5.7670 6.0247 6.0247 6.4452 6.4452 7.2913 7.2913 8.2700 8.2700 8.7413 8.7413 9.4341 9.4341 10.0922 10.0922 k =-0.1791 0.3914 0.4305 ( 4475 PWs) bands (ev): -19.9218 -19.9218 -19.8940 -19.8940 -6.7019 -6.7019 -6.6420 -6.6420 -4.9054 -4.9054 -4.8760 -4.8760 -4.6675 -4.6675 -4.4823 -4.4823 -2.2685 -2.2685 -0.7083 -0.7083 -0.5446 -0.5446 2.3714 2.3714 4.7574 4.7574 4.8476 4.8476 5.7443 5.7443 6.0288 6.0288 6.4284 6.4284 7.3285 7.3285 8.3493 8.3493 8.7086 8.7086 9.4271 9.4271 10.0718 10.0718 k =-0.1717 0.3751 0.4126 ( 4481 PWs) bands (ev): -19.9225 -19.9225 -19.8938 -19.8938 -6.7025 -6.7025 -6.6364 -6.6364 -4.8943 -4.8943 -4.8766 -4.8766 -4.6673 -4.6673 -4.4809 -4.4809 -2.3129 -2.3129 -0.6808 -0.6808 -0.5583 -0.5583 2.4149 2.4149 4.7721 4.7721 4.9063 4.9063 5.7198 5.7198 6.0337 6.0337 6.4131 6.4131 7.3704 7.3704 8.4274 8.4274 8.6792 8.6792 9.4214 9.4214 10.0553 10.0553 k =-0.1642 0.3588 0.3946 ( 4477 PWs) bands (ev): -19.9233 -19.9233 -19.8937 -19.8937 -6.7030 -6.7030 -6.6307 -6.6307 -4.8868 -4.8868 -4.8728 -4.8728 -4.6665 -4.6665 -4.4797 -4.4797 -2.3587 -2.3587 -0.6589 -0.6589 -0.5671 -0.5671 2.4632 2.4632 4.7875 4.7875 4.9668 4.9668 5.6937 5.6937 6.0394 6.0394 6.3990 6.3990 7.4169 7.4169 8.5039 8.5039 8.6533 8.6533 9.4155 9.4155 9.9533 9.9533 k =-0.1568 0.3425 0.3767 ( 4477 PWs) bands (ev): -19.9240 -19.9240 -19.8936 -19.8936 -6.7035 -6.7035 -6.6248 -6.6248 -4.8861 -4.8861 -4.8615 -4.8615 -4.6651 -4.6651 -4.4787 -4.4787 -2.4058 -2.4058 -0.6446 -0.6446 -0.5694 -0.5694 2.5165 2.5165 4.8036 4.8036 5.0287 5.0287 5.6660 5.6660 6.0459 6.0459 6.3862 6.3862 7.4674 7.4674 8.5769 8.5769 8.6326 8.6326 9.4070 9.4070 9.7872 9.7872 k =-0.1493 0.3262 0.3587 ( 4471 PWs) bands (ev): -19.9248 -19.9248 -19.8936 -19.8936 -6.7039 -6.7039 -6.6187 -6.6187 -4.8877 -4.8877 -4.8471 -4.8471 -4.6632 -4.6632 -4.4777 -4.4777 -2.4537 -2.4537 -0.6389 -0.6389 -0.5644 -0.5644 2.5747 2.5747 4.8204 4.8204 5.0915 5.0915 5.6370 5.6370 6.0529 6.0529 6.3746 6.3746 7.5213 7.5213 8.6040 8.6040 8.6590 8.6590 9.3879 9.3879 9.6308 9.6308 k =-0.1418 0.3099 0.3408 ( 4469 PWs) bands (ev): -19.9255 -19.9255 -19.8936 -19.8936 -6.7044 -6.7044 -6.6126 -6.6126 -4.8898 -4.8898 -4.8315 -4.8315 -4.6607 -4.6607 -4.4769 -4.4769 -2.5022 -2.5022 -0.6392 -0.6392 -0.5549 -0.5549 2.6379 2.6379 4.8377 4.8377 5.1551 5.1551 5.6068 5.6068 6.0604 6.0604 6.3640 6.3640 7.5778 7.5778 8.5892 8.5892 8.7282 8.7282 9.3289 9.3289 9.5148 9.5148 k =-0.1344 0.2936 0.3229 ( 4469 PWs) bands (ev): -19.9263 -19.9263 -19.8936 -19.8936 -6.7047 -6.7047 -6.6065 -6.6065 -4.8923 -4.8923 -4.8149 -4.8149 -4.6577 -4.6577 -4.4761 -4.4761 -2.5509 -2.5509 -0.6424 -0.6424 -0.5441 -0.5441 2.7059 2.7059 4.8554 4.8554 5.2191 5.2191 5.5758 5.5758 6.0684 6.0684 6.3544 6.3544 7.6355 7.6355 8.5751 8.5751 8.7967 8.7967 9.2034 9.2034 9.4677 9.4677 k =-0.1269 0.2773 0.3049 ( 4473 PWs) bands (ev): -19.9270 -19.9270 -19.8936 -19.8936 -6.7051 -6.7051 -6.6005 -6.6005 -4.8949 -4.8949 -4.7977 -4.7977 -4.6541 -4.6541 -4.4755 -4.4755 -2.5996 -2.5996 -0.6463 -0.6463 -0.5341 -0.5341 2.7787 2.7787 4.8733 4.8733 5.2832 5.2832 5.5443 5.5443 6.0767 6.0767 6.3458 6.3458 7.6928 7.6928 8.5629 8.5629 8.8598 8.8598 9.0544 9.0544 9.4518 9.4518 k =-0.1194 0.2610 0.2870 ( 4477 PWs) bands (ev): -19.9277 -19.9277 -19.8936 -19.8936 -6.7054 -6.7054 -6.5945 -6.5945 -4.8976 -4.8976 -4.7799 -4.7799 -4.6501 -4.6501 -4.4750 -4.4750 -2.6480 -2.6480 -0.6503 -0.6503 -0.5257 -0.5257 2.8558 2.8558 4.8912 4.8912 5.3465 5.3465 5.5127 5.5127 6.0853 6.0853 6.3380 6.3380 7.7469 7.7469 8.5525 8.5525 8.8609 8.8609 8.9641 8.9641 9.4445 9.4445 k =-0.1120 0.2447 0.2691 ( 4481 PWs) bands (ev): -19.9284 -19.9284 -19.8936 -19.8936 -6.7057 -6.7057 -6.5886 -6.5886 -4.9004 -4.9004 -4.7616 -4.7616 -4.6458 -4.6458 -4.4745 -4.4745 -2.6957 -2.6957 -0.6539 -0.6539 -0.5191 -0.5191 2.9371 2.9371 4.9090 4.9090 5.4069 5.4069 5.4833 5.4833 6.0941 6.0941 6.3310 6.3310 7.7934 7.7934 8.5432 8.5432 8.7305 8.7305 9.0122 9.0122 9.4409 9.4409 k =-0.1045 0.2283 0.2511 ( 4477 PWs) bands (ev): -19.9291 -19.9291 -19.8937 -19.8937 -6.7060 -6.7060 -6.5829 -6.5829 -4.9032 -4.9032 -4.7431 -4.7431 -4.6411 -4.6411 -4.4740 -4.4740 -2.7425 -2.7425 -0.6572 -0.6572 -0.5143 -0.5143 3.0222 3.0222 4.9266 4.9266 5.4345 5.4345 5.4856 5.4856 6.1032 6.1032 6.3248 6.3248 7.8249 7.8249 8.5327 8.5327 8.6034 8.6034 9.0750 9.0750 9.4403 9.4403 k =-0.0970 0.2120 0.2332 ( 4481 PWs) bands (ev): -19.9298 -19.9298 -19.8938 -19.8938 -6.7062 -6.7062 -6.5774 -6.5774 -4.9060 -4.9060 -4.7244 -4.7244 -4.6362 -4.6362 -4.4736 -4.4736 -2.7882 -2.7882 -0.6600 -0.6600 -0.5111 -0.5111 3.1105 3.1105 4.9437 4.9437 5.4085 5.4085 5.5401 5.5401 6.1126 6.1126 6.3195 6.3195 7.8301 7.8301 8.4883 8.4883 8.5375 8.5375 9.1393 9.1393 9.4434 9.4434 k =-0.0896 0.1957 0.2152 ( 4477 PWs) bands (ev): -19.9304 -19.9304 -19.8938 -19.8938 -6.7065 -6.7065 -6.5722 -6.5722 -4.9087 -4.9087 -4.7057 -4.7057 -4.6311 -4.6311 -4.4731 -4.4731 -2.8323 -2.8323 -0.6625 -0.6625 -0.5095 -0.5095 3.2016 3.2016 4.9602 4.9602 5.3772 5.3772 5.5979 5.5979 6.1223 6.1223 6.3149 6.3149 7.7966 7.7966 8.4288 8.4288 8.5266 8.5266 9.2041 9.2041 9.4514 9.4514 k =-0.0821 0.1794 0.1973 ( 4481 PWs) bands (ev): -19.9310 -19.9310 -19.8939 -19.8939 -6.7067 -6.7067 -6.5672 -6.5672 -4.9114 -4.9114 -4.6873 -4.6873 -4.6259 -4.6259 -4.4726 -4.4726 -2.8747 -2.8747 -0.6645 -0.6645 -0.5090 -0.5090 3.2948 3.2948 4.9759 4.9759 5.3455 5.3455 5.6538 5.6538 6.1324 6.1324 6.3111 6.3111 7.7228 7.7228 8.4074 8.4074 8.5189 8.5189 9.2696 9.2696 9.4657 9.4657 k =-0.0746 0.1631 0.1794 ( 4479 PWs) bands (ev): -19.9315 -19.9315 -19.8940 -19.8940 -6.7070 -6.7070 -6.5626 -6.5626 -4.9139 -4.9139 -4.6695 -4.6695 -4.6207 -4.6207 -4.4720 -4.4720 -2.9151 -2.9151 -0.6663 -0.6663 -0.5096 -0.5096 3.3892 3.3892 4.9906 4.9906 5.3140 5.3140 5.7065 5.7065 6.1430 6.1430 6.3083 6.3083 7.6209 7.6209 8.4147 8.4147 8.5113 8.5113 9.3358 9.3358 9.4880 9.4880 k =-0.0672 0.1468 0.1614 ( 4483 PWs) bands (ev): -19.9320 -19.9320 -19.8940 -19.8940 -6.7072 -6.7072 -6.5583 -6.5583 -4.9163 -4.9163 -4.6524 -4.6524 -4.6157 -4.6157 -4.4713 -4.4713 -2.9530 -2.9530 -0.6677 -0.6677 -0.5110 -0.5110 3.4841 3.4841 5.0041 5.0041 5.2829 5.2829 5.7551 5.7551 6.1542 6.1542 6.3065 6.3065 7.5056 7.5056 8.4363 8.4363 8.5032 8.5032 9.4029 9.4029 9.5196 9.5196 k =-0.0597 0.1305 0.1435 ( 4483 PWs) bands (ev): -19.9325 -19.9325 -19.8941 -19.8941 -6.7074 -6.7074 -6.5544 -6.5544 -4.9186 -4.9186 -4.6363 -4.6363 -4.6108 -4.6108 -4.4704 -4.4704 -2.9882 -2.9882 -0.6688 -0.6688 -0.5129 -0.5129 3.5782 3.5782 5.0161 5.0161 5.2525 5.2525 5.7988 5.7988 6.1657 6.1657 6.3059 6.3059 7.3870 7.3870 8.4625 8.4625 8.4946 8.4946 9.4710 9.4710 9.5612 9.5612 k =-0.0523 0.1142 0.1256 ( 4485 PWs) bands (ev): -19.9329 -19.9329 -19.8942 -19.8942 -6.7076 -6.7076 -6.5509 -6.5509 -4.9206 -4.9206 -4.6217 -4.6217 -4.6061 -4.6061 -4.4692 -4.4692 -3.0204 -3.0204 -0.6698 -0.6698 -0.5152 -0.5152 3.6702 3.6702 5.0264 5.0264 5.2230 5.2230 5.8370 5.8370 6.1774 6.1774 6.3067 6.3067 7.2718 7.2718 8.4844 8.4844 8.4892 8.4892 9.5399 9.5399 9.6129 9.6129 k =-0.0448 0.0979 0.1076 ( 4489 PWs) bands (ev): -19.9333 -19.9333 -19.8942 -19.8942 -6.7077 -6.7077 -6.5478 -6.5478 -4.9224 -4.9224 -4.6090 -4.6090 -4.6015 -4.6015 -4.4679 -4.4679 -3.0492 -3.0492 -0.6705 -0.6705 -0.5176 -0.5176 3.7584 3.7584 5.0345 5.0345 5.1951 5.1951 5.8693 5.8693 6.1888 6.1888 6.3091 6.3091 7.1640 7.1640 8.4759 8.4759 8.5108 8.5108 9.6091 9.6091 9.6734 9.6734 k =-0.0373 0.0816 0.0897 ( 4475 PWs) bands (ev): -19.9336 -19.9336 -19.8943 -19.8943 -6.7079 -6.7079 -6.5451 -6.5451 -4.9240 -4.9240 -4.6002 -4.6002 -4.5952 -4.5952 -4.4664 -4.4664 -3.0742 -3.0742 -0.6711 -0.6711 -0.5200 -0.5200 3.8409 3.8409 5.0397 5.0397 5.1697 5.1697 5.8957 5.8957 6.1990 6.1990 6.3130 6.3130 7.0671 7.0671 8.4669 8.4669 8.5289 8.5289 9.6747 9.6747 9.7375 9.7375 k =-0.0299 0.0652 0.0717 ( 4471 PWs) bands (ev): -19.9339 -19.9339 -19.8943 -19.8943 -6.7080 -6.7080 -6.5430 -6.5430 -4.9253 -4.9253 -4.5960 -4.5960 -4.5869 -4.5869 -4.4648 -4.4648 -3.0953 -3.0953 -0.6715 -0.6715 -0.5222 -0.5222 3.9150 3.9150 5.0415 5.0415 5.1482 5.1482 5.9163 5.9163 6.2076 6.2076 6.3181 6.3181 6.9837 6.9837 8.4585 8.4585 8.5429 8.5429 9.6962 9.6962 9.7654 9.7654 k =-0.0224 0.0489 0.0538 ( 4453 PWs) bands (ev): -19.9341 -19.9341 -19.8944 -19.8944 -6.7081 -6.7081 -6.5412 -6.5412 -4.9263 -4.9263 -4.5933 -4.5933 -4.5798 -4.5798 -4.4633 -4.4633 -3.1120 -3.1120 -0.6718 -0.6718 -0.5240 -0.5240 3.9779 3.9779 5.0391 5.0391 5.1322 5.1322 5.9316 5.9316 6.2140 6.2140 6.3238 6.3238 6.9161 6.9161 8.4513 8.4513 8.5530 8.5530 9.6818 9.6818 9.8297 9.8298 k =-0.0149 0.0326 0.0359 ( 4457 PWs) bands (ev): -19.9342 -19.9342 -19.8944 -19.8944 -6.7082 -6.7082 -6.5400 -6.5400 -4.9271 -4.9271 -4.5913 -4.5913 -4.5748 -4.5748 -4.4620 -4.4620 -3.1241 -3.1241 -0.6720 -0.6720 -0.5254 -0.5254 4.0263 4.0263 5.0338 5.0338 5.1225 5.1225 5.9421 5.9421 6.2184 6.2184 6.3290 6.3290 6.8663 6.8663 8.4458 8.4458 8.5597 8.5597 9.6682 9.6682 9.8901 9.8901 k =-0.0075 0.0163 0.0179 ( 4451 PWs) bands (ev): -19.9343 -19.9343 -19.8944 -19.8944 -6.7082 -6.7082 -6.5393 -6.5393 -4.9275 -4.9275 -4.5901 -4.5901 -4.5718 -4.5718 -4.4611 -4.4611 -3.1314 -3.1314 -0.6721 -0.6721 -0.5263 -0.5263 4.0570 4.0570 5.0285 5.0285 5.1177 5.1177 5.9482 5.9482 6.2209 6.2209 6.3326 6.3326 6.8358 6.8358 8.4423 8.4423 8.5636 8.5636 9.6594 9.6594 9.9342 9.9342 k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -19.9343 -19.9343 -19.8944 -19.8944 -6.7082 -6.7082 -6.5390 -6.5390 -4.9277 -4.9277 -4.5897 -4.5897 -4.5708 -4.5708 -4.4608 -4.4608 -3.1339 -3.1339 -0.6722 -0.6722 -0.5266 -0.5266 4.0675 4.0675 5.0263 5.0263 5.1163 5.1163 5.9503 5.9503 6.2217 6.2217 6.3338 6.3338 6.8255 6.8255 8.4411 8.4411 8.5648 8.5648 9.6564 9.6564 9.9507 9.9507 k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -19.9343 -19.9343 -19.8944 -19.8944 -6.7082 -6.7082 -6.5390 -6.5390 -4.9277 -4.9277 -4.5897 -4.5897 -4.5708 -4.5708 -4.4608 -4.4608 -3.1339 -3.1339 -0.6722 -0.6722 -0.5266 -0.5266 4.0675 4.0675 5.0263 5.0263 5.1163 5.1163 5.9503 5.9503 6.2217 6.2217 6.3338 6.3338 6.8255 6.8255 8.4411 8.4411 8.5648 8.5648 9.6564 9.6564 9.9507 9.9507 k = 0.0227 0.0104-0.0000 ( 4455 PWs) bands (ev): -19.9343 -19.9343 -19.8945 -19.8945 -6.7080 -6.7080 -6.5392 -6.5392 -4.9273 -4.9273 -4.5898 -4.5898 -4.5708 -4.5708 -4.4618 -4.4618 -3.1317 -3.1317 -0.7184 -0.7184 -0.4787 -0.4787 4.0584 4.0584 5.0266 5.0266 5.1165 5.1165 5.9537 5.9537 6.2222 6.2222 6.3338 6.3338 6.8223 6.8223 8.4456 8.4456 8.5656 8.5656 9.6661 9.6661 9.9326 9.9326 k = 0.0455 0.0208-0.0000 ( 4459 PWs) bands (ev): -19.9341 -19.9341 -19.8946 -19.8946 -6.7074 -6.7074 -6.5399 -6.5399 -4.9263 -4.9263 -4.5899 -4.5899 -4.5707 -4.5707 -4.4648 -4.4648 -3.1253 -3.1253 -0.8000 -0.8000 -0.3923 -0.3923 4.0315 4.0315 5.0276 5.0276 5.1170 5.1170 5.9636 5.9636 6.2239 6.2239 6.3335 6.3335 6.8127 6.8127 8.4587 8.4587 8.5683 8.5683 9.6941 9.6941 9.8848 9.8848 k = 0.0682 0.0312-0.0000 ( 4471 PWs) bands (ev): -19.9339 -19.9339 -19.8949 -19.8949 -6.7063 -6.7063 -6.5409 -6.5409 -4.9247 -4.9247 -4.5901 -4.5901 -4.5706 -4.5706 -4.4698 -4.4698 -3.1146 -3.1146 -0.8870 -0.8870 -0.2974 -0.2974 3.9879 3.9879 5.0292 5.0292 5.1177 5.1177 5.9788 5.9788 6.2267 6.2267 6.3330 6.3330 6.7973 6.7973 8.4800 8.4800 8.5742 8.5742 9.7308 9.7308 9.8265 9.8265 k = 0.0909 0.0416-0.0000 ( 4483 PWs) bands (ev): -19.9335 -19.9335 -19.8953 -19.8953 -6.7048 -6.7048 -6.5424 -6.5424 -4.9223 -4.9223 -4.5905 -4.5905 -4.5704 -4.5704 -4.4764 -4.4764 -3.0998 -3.0998 -0.9744 -0.9744 -0.1988 -0.1988 3.9293 3.9293 5.0314 5.0314 5.1187 5.1187 5.9979 5.9979 6.2307 6.2307 6.3324 6.3324 6.7766 6.7766 8.5090 8.5090 8.5847 8.5847 9.7083 9.7083 9.7723 9.7723 k = 0.1136 0.0520-0.0000 ( 4483 PWs) bands (ev): -19.9331 -19.9331 -19.8957 -19.8957 -6.7028 -6.7028 -6.5443 -6.5443 -4.9193 -4.9193 -4.5911 -4.5911 -4.5703 -4.5703 -4.4846 -4.4846 -3.0810 -3.0810 -1.0612 -1.0612 -0.0977 -0.0977 3.8575 3.8575 5.0342 5.0342 5.1198 5.1198 6.0189 6.0189 6.2357 6.2357 6.3316 6.3316 6.7515 6.7515 8.5448 8.5448 8.6015 8.6015 9.6296 9.6296 9.6825 9.6825 k = 0.1364 0.0624-0.0000 ( 4483 PWs) bands (ev): -19.9325 -19.9325 -19.8963 -19.8963 -6.7005 -6.7005 -6.5466 -6.5466 -4.9156 -4.9156 -4.5921 -4.5921 -4.5701 -4.5701 -4.4941 -4.4941 -3.0585 -3.0585 -1.1469 -1.1469 0.0054 0.0054 3.7745 3.7745 5.0376 5.0376 5.1210 5.1210 6.0404 6.0404 6.2419 6.2419 6.3307 6.3307 6.7227 6.7227 8.5865 8.5865 8.6260 8.6260 9.5434 9.5434 9.5915 9.5915 k = 0.1591 0.0728-0.0000 ( 4479 PWs) bands (ev): -19.9319 -19.9319 -19.8969 -19.8969 -6.6978 -6.6978 -6.5493 -6.5493 -4.9113 -4.9113 -4.5934 -4.5934 -4.5698 -4.5698 -4.5045 -4.5045 -3.0323 -3.0323 -1.2313 -1.2313 0.1104 0.1104 3.6821 3.6821 5.0414 5.0414 5.1222 5.1222 6.0609 6.0609 6.2489 6.2489 6.3296 6.3296 6.6913 6.6913 8.6333 8.6333 8.6594 8.6594 9.4568 9.4568 9.5017 9.5017 k = 0.1818 0.0832-0.0000 ( 4475 PWs) bands (ev): -19.9312 -19.9312 -19.8976 -19.8976 -6.6947 -6.6947 -6.5523 -6.5523 -4.9062 -4.9062 -4.5956 -4.5956 -4.5696 -4.5696 -4.5154 -4.5154 -3.0028 -3.0028 -1.3143 -1.3143 0.2172 0.2172 3.5819 3.5819 5.0456 5.0456 5.1233 5.1233 6.0797 6.0797 6.2565 6.2565 6.3284 6.3284 6.6580 6.6580 8.6842 8.6842 8.7023 8.7023 9.3721 9.3721 9.4142 9.4142 k = 0.2045 0.0936-0.0000 ( 4463 PWs) bands (ev): -19.9304 -19.9304 -19.8984 -19.8984 -6.6912 -6.6912 -6.5558 -6.5558 -4.9005 -4.9005 -4.5987 -4.5987 -4.5693 -4.5693 -4.5262 -4.5262 -2.9700 -2.9700 -1.3960 -1.3960 0.3256 0.3256 3.4753 3.4753 5.0503 5.0503 5.1243 5.1243 6.0963 6.0963 6.2644 6.2644 6.3271 6.3271 6.6236 6.6236 8.7386 8.7386 8.7547 8.7547 9.2905 9.2905 9.3301 9.3301 k = 0.2273 0.1040-0.0000 ( 4471 PWs) bands (ev): -19.9295 -19.9295 -19.8993 -19.8993 -6.6874 -6.6874 -6.5595 -6.5595 -4.8941 -4.8941 -4.6035 -4.6035 -4.5690 -4.5690 -4.5363 -4.5363 -2.9343 -2.9343 -1.4762 -1.4762 0.4357 0.4357 3.3635 3.3635 5.0552 5.0552 5.1252 5.1252 6.1107 6.1107 6.2722 6.2722 6.3256 6.3256 6.5888 6.5888 8.7956 8.7956 8.8165 8.8165 9.2130 9.2130 9.2501 9.2501 k = 0.2500 0.1144-0.0000 ( 4491 PWs) bands (ev): -19.9285 -19.9285 -19.9003 -19.9003 -6.6832 -6.6832 -6.5636 -6.5636 -4.8870 -4.8870 -4.6104 -4.6104 -4.5687 -4.5687 -4.5450 -4.5450 -2.8957 -2.8957 -1.5550 -1.5550 0.5474 0.5474 3.2475 3.2475 5.0603 5.0603 5.1259 5.1259 6.1231 6.1231 6.2797 6.2797 6.3239 6.3239 6.5543 6.5543 8.8545 8.8545 8.8866 8.8866 9.1404 9.1404 9.1749 9.1749 k = 0.2727 0.1248-0.0000 ( 4475 PWs) bands (ev): -19.9275 -19.9275 -19.9014 -19.9014 -6.6788 -6.6788 -6.5680 -6.5680 -4.8792 -4.8792 -4.6196 -4.6196 -4.5684 -4.5684 -4.5517 -4.5517 -2.8545 -2.8545 -1.6324 -1.6324 0.6607 0.6607 3.1282 3.1282 5.0657 5.0657 5.1265 5.1265 6.1339 6.1339 6.2867 6.2867 6.3219 6.3219 6.5207 6.5207 8.9141 8.9141 8.9622 8.9622 9.0749 9.0749 9.1056 9.1056 k = 0.2955 0.1352-0.0000 ( 4483 PWs) bands (ev): -19.9264 -19.9264 -19.9025 -19.9025 -6.6740 -6.6740 -6.5727 -6.5727 -4.8707 -4.8707 -4.6311 -4.6311 -4.5681 -4.5681 -4.5566 -4.5566 -2.8108 -2.8108 -1.7083 -1.7083 0.7755 0.7755 3.0063 3.0063 5.0711 5.0711 5.1267 5.1267 6.1436 6.1436 6.2930 6.2930 6.3194 6.3194 6.4884 6.4884 8.9695 8.9695 8.9974 8.9974 9.0471 9.0471 9.0613 9.0613 k = 0.3182 0.1456-0.0000 ( 4479 PWs) bands (ev): -19.9252 -19.9252 -19.9037 -19.9037 -6.6690 -6.6690 -6.5776 -6.5776 -4.8615 -4.8615 -4.6443 -4.6443 -4.5679 -4.5679 -4.5599 -4.5599 -2.7648 -2.7648 -1.7828 -1.7828 0.8918 0.8918 2.8825 2.8825 5.0765 5.0765 5.1267 5.1267 6.1524 6.1524 6.2989 6.2989 6.3162 6.3162 6.4582 6.4582 8.9473 8.9473 8.9669 8.9669 9.0530 9.0530 9.1427 9.1427 k = 0.3409 0.1560-0.0000 ( 4472 PWs) bands (ev): -19.9240 -19.9240 -19.9049 -19.9049 -6.6638 -6.6638 -6.5828 -6.5828 -4.8517 -4.8517 -4.6587 -4.6587 -4.5676 -4.5676 -4.5621 -4.5621 -2.7166 -2.7166 -1.8558 -1.8558 1.0095 1.0095 2.7571 2.7571 5.0818 5.0818 5.1263 5.1263 6.1607 6.1607 6.3042 6.3042 6.3118 6.3118 6.4306 6.4306 8.8975 8.8975 8.9187 8.9187 9.1109 9.1109 9.2311 9.2311 k = 0.3636 0.1664-0.0000 ( 4468 PWs) bands (ev): -19.9227 -19.9227 -19.9062 -19.9062 -6.6584 -6.6584 -6.5881 -6.5881 -4.8412 -4.8412 -4.6738 -4.6738 -4.5674 -4.5674 -4.5635 -4.5635 -2.6663 -2.6663 -1.9274 -1.9274 1.1286 1.1286 2.6307 2.6307 5.0871 5.0871 5.1256 5.1256 6.1689 6.1689 6.3058 6.3058 6.3093 6.3093 6.4062 6.4062 8.8534 8.8534 8.8725 8.8725 9.1727 9.1727 9.3174 9.3174 k = 0.3864 0.1768-0.0000 ( 4468 PWs) bands (ev): -19.9214 -19.9214 -19.9075 -19.9075 -6.6528 -6.6528 -6.5937 -6.5937 -4.8301 -4.8301 -4.6893 -4.6893 -4.5672 -4.5672 -4.5645 -4.5645 -2.6141 -2.6141 -1.9975 -1.9975 1.2490 1.2490 2.5036 2.5036 5.0921 5.0921 5.1246 5.1246 6.1774 6.1774 6.2976 6.2976 6.3141 6.3141 6.3860 6.3860 8.8158 8.8158 8.8321 8.8321 9.2346 9.2346 9.3961 9.3961 k = 0.4091 0.1872-0.0000 ( 4460 PWs) bands (ev): -19.9201 -19.9201 -19.9088 -19.9088 -6.6471 -6.6471 -6.5994 -6.5994 -4.8183 -4.8183 -4.7049 -4.7049 -4.5670 -4.5670 -4.5652 -4.5652 -2.5599 -2.5599 -2.0662 -2.0662 1.3707 1.3707 2.3762 2.3762 5.0970 5.0970 5.1231 5.1231 6.1863 6.1863 6.2868 6.2868 6.3187 6.3187 6.3702 6.3702 8.7849 8.7849 8.7983 8.7983 9.2952 9.2952 9.4606 9.4606 k = 0.4318 0.1976-0.0000 ( 4460 PWs) bands (ev): -19.9187 -19.9187 -19.9102 -19.9102 -6.6412 -6.6412 -6.6052 -6.6052 -4.8058 -4.8058 -4.7204 -4.7204 -4.5668 -4.5668 -4.5656 -4.5656 -2.5039 -2.5039 -2.1334 -2.1334 1.4935 1.4935 2.2487 2.2487 5.1015 5.1015 5.1212 5.1212 6.1960 6.1960 6.2738 6.2738 6.3233 6.3233 6.3584 6.3584 8.7611 8.7611 8.7712 8.7712 9.3534 9.3534 9.5043 9.5043 k = 0.4545 0.2080-0.0000 ( 4468 PWs) bands (ev): -19.9173 -19.9173 -19.9116 -19.9116 -6.6352 -6.6352 -6.6112 -6.6112 -4.7928 -4.7928 -4.7356 -4.7356 -4.5667 -4.5667 -4.5659 -4.5659 -2.4462 -2.4462 -2.1991 -2.1991 1.6174 1.6174 2.1214 2.1214 5.1058 5.1058 5.1190 5.1190 6.2067 6.2067 6.2596 6.2596 6.3278 6.3278 6.3498 6.3498 8.7445 8.7445 8.7513 8.7513 9.4077 9.4077 9.5234 9.5234 k = 0.4773 0.2184-0.0000 ( 4468 PWs) bands (ev): -19.9159 -19.9159 -19.9130 -19.9130 -6.6292 -6.6292 -6.6172 -6.6172 -4.7793 -4.7793 -4.7506 -4.7506 -4.5665 -4.5665 -4.5662 -4.5662 -2.3869 -2.3869 -2.2632 -2.2632 1.7423 1.7423 1.9944 1.9944 5.1097 5.1097 5.1163 5.1163 6.2184 6.2184 6.2452 6.2452 6.3325 6.3325 6.3431 6.3431 8.7351 8.7351 8.7386 8.7386 9.4557 9.4557 9.5185 9.5185 k = 0.5000 0.2288-0.0000 ( 4460 PWs) bands (ev): -19.9145 -19.9145 -19.9145 -19.9145 -6.6232 -6.6232 -6.6232 -6.6232 -4.7652 -4.7652 -4.7652 -4.7652 -4.5663 -4.5663 -4.5663 -4.5663 -2.3258 -2.3258 -2.3258 -2.3258 1.8680 1.8680 1.8680 1.8680 5.1132 5.1132 5.1132 5.1132 6.2313 6.2313 6.2313 6.2313 6.3375 6.3375 6.3375 6.3375 8.7332 8.7332 8.7332 8.7332 9.4942 9.4942 9.4942 9.4942 k = 0.5000 0.2288-0.0000 ( 4460 PWs) bands (ev): -19.9145 -19.9145 -19.9145 -19.9145 -6.6232 -6.6232 -6.6232 -6.6232 -4.7652 -4.7652 -4.7652 -4.7652 -4.5663 -4.5663 -4.5663 -4.5663 -2.3258 -2.3258 -2.3258 -2.3258 1.8680 1.8680 1.8680 1.8680 5.1132 5.1132 5.1132 5.1132 6.2313 6.2313 6.2313 6.2313 6.3375 6.3375 6.3375 6.3375 8.7332 8.7332 8.7332 8.7332 9.4942 9.4942 9.4942 9.4942 k = 0.4925 0.2451 0.0179 ( 4464 PWs) bands (ev): -19.9145 -19.9145 -19.9144 -19.9144 -6.6242 -6.6242 -6.6224 -6.6224 -4.7711 -4.7711 -4.7597 -4.7597 -4.5702 -4.5702 -4.5629 -4.5629 -2.3259 -2.3259 -2.3233 -2.3233 1.8642 1.8642 1.8685 1.8685 5.1035 5.1035 5.1123 5.1123 6.2257 6.2257 6.2473 6.2473 6.3282 6.3282 6.3525 6.3525 8.7131 8.7131 8.7262 8.7262 9.4959 9.4959 9.5084 9.5084 k = 0.4851 0.2614 0.0359 ( 4464 PWs) bands (ev): -19.9144 -19.9144 -19.9143 -19.9143 -6.6255 -6.6255 -6.6218 -6.6218 -4.7774 -4.7774 -4.7547 -4.7547 -4.5745 -4.5745 -4.5599 -4.5599 -2.3236 -2.3236 -2.3181 -2.3181 1.8530 1.8530 1.8700 1.8700 5.0759 5.0759 5.1097 5.1097 6.2259 6.2259 6.2729 6.2729 6.3221 6.3221 6.3798 6.3798 8.6606 8.6606 8.7024 8.7024 9.5032 9.5032 9.5442 9.5442 k = 0.4776 0.2777 0.0538 ( 4460 PWs) bands (ev): -19.9144 -19.9144 -19.9142 -19.9142 -6.6270 -6.6270 -6.6216 -6.6216 -4.7843 -4.7843 -4.7502 -4.7502 -4.5792 -4.5792 -4.5574 -4.5574 -2.3189 -2.3189 -2.3104 -2.3104 1.8345 1.8345 1.8724 1.8724 5.0339 5.0339 5.1053 5.1053 6.2288 6.2288 6.2979 6.2979 6.3186 6.3186 6.4294 6.4294 8.5844 8.5844 8.6642 8.6642 9.5154 9.5154 9.5920 9.5920 k = 0.4702 0.2940 0.0717 ( 4464 PWs) bands (ev): -19.9143 -19.9143 -19.9140 -19.9140 -6.6288 -6.6288 -6.6215 -6.6215 -4.7915 -4.7915 -4.7462 -4.7462 -4.5840 -4.5840 -4.5554 -4.5554 -2.3120 -2.3120 -2.3001 -2.3001 1.8088 1.8088 1.8758 1.8758 4.9819 4.9819 5.0992 5.0992 6.2331 6.2331 6.3120 6.3120 6.3220 6.3220 6.5042 6.5042 8.4933 8.4933 8.6137 8.6137 9.5324 9.5324 9.6424 9.6424 k = 0.4627 0.3103 0.0896 ( 4472 PWs) bands (ev): -19.9143 -19.9143 -19.9138 -19.9138 -6.6307 -6.6307 -6.6217 -6.6217 -4.7992 -4.7992 -4.7429 -4.7429 -4.5891 -4.5891 -4.5537 -4.5537 -2.3030 -2.3030 -2.2871 -2.2871 1.7762 1.7762 1.8801 1.8801 4.9237 4.9237 5.0915 5.0915 6.2376 6.2376 6.3139 6.3139 6.3358 6.3358 6.5989 6.5989 8.3938 8.3938 8.5529 8.5529 9.5542 9.5542 9.6890 9.6890 k = 0.4552 0.3266 0.1076 ( 4468 PWs) bands (ev): -19.9142 -19.9142 -19.9135 -19.9135 -6.6329 -6.6329 -6.6222 -6.6222 -4.8073 -4.8073 -4.7401 -4.7401 -4.5941 -4.5941 -4.5525 -4.5525 -2.2920 -2.2920 -2.2716 -2.2716 1.7371 1.7371 1.8853 1.8853 4.8623 4.8623 5.0821 5.0821 6.2413 6.2413 6.3168 6.3168 6.3502 6.3502 6.7079 6.7079 8.2900 8.2900 8.4843 8.4843 9.5805 9.5805 9.7284 9.7284 k = 0.4478 0.3429 0.1255 ( 4470 PWs) bands (ev): -19.9141 -19.9141 -19.9131 -19.9131 -6.6353 -6.6353 -6.6228 -6.6228 -4.8158 -4.8158 -4.7380 -4.7380 -4.5991 -4.5991 -4.5516 -4.5516 -2.2793 -2.2793 -2.2536 -2.2536 1.6918 1.6918 1.8913 1.8913 4.8001 4.8001 5.0711 5.0711 6.2433 6.2433 6.3224 6.3224 6.3651 6.3651 6.8273 6.8273 8.1848 8.1848 8.4096 8.4096 9.6114 9.6114 9.7598 9.7598 k = 0.4403 0.3592 0.1434 ( 4462 PWs) bands (ev): -19.9140 -19.9140 -19.9127 -19.9127 -6.6378 -6.6378 -6.6238 -6.6238 -4.8246 -4.8246 -4.7367 -4.7367 -4.6038 -4.6038 -4.5509 -4.5509 -2.2649 -2.2649 -2.2330 -2.2330 1.6406 1.6406 1.8981 1.8981 4.7385 4.7385 5.0587 5.0587 6.2431 6.2431 6.3310 6.3310 6.3812 6.3812 6.9548 6.9548 8.0801 8.0801 8.3307 8.3307 9.6466 9.6466 9.7837 9.7837 k = 0.4329 0.3755 0.1614 ( 4474 PWs) bands (ev): -19.9139 -19.9139 -19.9123 -19.9123 -6.6405 -6.6405 -6.6249 -6.6249 -4.8338 -4.8338 -4.7363 -4.7363 -4.6082 -4.6082 -4.5505 -4.5505 -2.2491 -2.2491 -2.2100 -2.2100 1.5841 1.5841 1.9056 1.9056 4.6787 4.6787 5.0448 5.0448 6.2409 6.2409 6.3417 6.3417 6.3987 6.3987 7.0887 7.0887 7.9776 7.9776 8.2490 8.2490 9.6859 9.6859 9.8015 9.8015 k = 0.4254 0.3918 0.1793 ( 4478 PWs) bands (ev): -19.9138 -19.9138 -19.9118 -19.9118 -6.6434 -6.6434 -6.6263 -6.6263 -4.8432 -4.8432 -4.7367 -4.7367 -4.6121 -4.6121 -4.5501 -4.5501 -2.2321 -2.2321 -2.1845 -2.1845 1.5228 1.5228 1.9138 1.9138 4.6214 4.6214 5.0296 5.0296 6.2370 6.2370 6.3536 6.3536 6.4179 6.4179 7.2275 7.2275 7.8785 7.8785 8.1656 8.1656 9.7290 9.7290 9.8147 9.8147 k = 0.4179 0.4081 0.1972 ( 4487 PWs) bands (ev): -19.9137 -19.9137 -19.9113 -19.9113 -6.6464 -6.6464 -6.6279 -6.6279 -4.8529 -4.8529 -4.7381 -4.7381 -4.6155 -4.6155 -4.5498 -4.5498 -2.2140 -2.2140 -2.1568 -2.1568 1.4571 1.4571 1.9226 1.9226 4.5673 4.5673 5.0133 5.0133 6.2318 6.2318 6.3656 6.3656 6.4392 6.4392 7.3700 7.3700 7.7838 7.7838 8.0818 8.0818 9.7758 9.7758 9.8251 9.8251 k = 0.4105 0.4245 0.2151 ( 4477 PWs) bands (ev): -19.9136 -19.9136 -19.9108 -19.9108 -6.6495 -6.6495 -6.6297 -6.6297 -4.8627 -4.8627 -4.7405 -4.7405 -4.6182 -4.6182 -4.5495 -4.5495 -2.1950 -2.1950 -2.1268 -2.1268 1.3875 1.3875 1.9320 1.9320 4.5165 4.5165 4.9960 4.9960 6.2256 6.2256 6.3764 6.3764 6.4627 6.4627 7.5149 7.5149 7.6946 7.6946 7.9985 7.9985 9.8258 9.8258 9.8341 9.8341 k = 0.4030 0.4408 0.2331 ( 4475 PWs) bands (ev): -19.9135 -19.9135 -19.9102 -19.9102 -6.6526 -6.6526 -6.6317 -6.6317 -4.8725 -4.8725 -4.7437 -4.7437 -4.6204 -4.6204 -4.5492 -4.5492 -2.1755 -2.1755 -2.0946 -2.0946 1.3145 1.3145 1.9418 1.9418 4.4694 4.4694 4.9778 4.9778 6.2185 6.2185 6.3847 6.3847 6.4887 6.4887 7.6105 7.6105 7.6608 7.6608 7.9185 7.9185 9.8430 9.8430 9.8789 9.8789 k = 0.3956 0.4571 0.2510 ( 4479 PWs) bands (ev): -19.9134 -19.9134 -19.9096 -19.9096 -6.6559 -6.6559 -6.6338 -6.6338 -4.8824 -4.8824 -4.7478 -4.7478 -4.6221 -4.6221 -4.5487 -4.5487 -2.1554 -2.1554 -2.0603 -2.0603 1.2387 1.2387 1.9519 1.9519 4.4262 4.4262 4.9590 4.9590 6.2107 6.2107 6.3896 6.3896 6.5174 6.5174 7.5357 7.5357 7.7760 7.7760 7.8699 7.8699 9.8530 9.8530 9.9345 9.9345 k = 0.3881 0.4734 0.2689 ( 4481 PWs) bands (ev): -19.9133 -19.9133 -19.9089 -19.9089 -6.6591 -6.6591 -6.6361 -6.6361 -4.8922 -4.8922 -4.7527 -4.7527 -4.6233 -4.6233 -4.5480 -4.5480 -2.1352 -2.1352 -2.0240 -2.0240 1.1605 1.1605 1.9624 1.9624 4.3869 4.3869 4.9396 4.9396 6.2022 6.2022 6.3898 6.3898 6.5489 6.5489 7.4682 7.4682 7.7353 7.7353 7.9803 7.9803 9.8652 9.8652 9.9921 9.9921 k = 0.3806 0.4897 0.2869 ( 4473 PWs) bands (ev): -19.9132 -19.9132 -19.9083 -19.9083 -6.6624 -6.6624 -6.6385 -6.6385 -4.9018 -4.9018 -4.7581 -4.7581 -4.6241 -4.6241 -4.5471 -4.5471 -2.1150 -2.1150 -1.9858 -1.9858 1.0804 1.0804 1.9730 1.9730 4.3517 4.3517 4.9200 4.9200 6.1933 6.1933 6.3847 6.3847 6.5831 6.5831 7.4093 7.4093 7.6596 7.6596 8.1274 8.1274 9.8805 9.8805 10.0512 10.0512 k = 0.3732 0.5060 0.3048 ( 4485 PWs) bands (ev): -19.9131 -19.9131 -19.9076 -19.9076 -6.6656 -6.6656 -6.6411 -6.6411 -4.9111 -4.9111 -4.7640 -4.7640 -4.6247 -4.6247 -4.5460 -4.5460 -2.0950 -2.0950 -1.9458 -1.9458 0.9989 0.9989 1.9837 1.9837 4.3206 4.3206 4.9002 4.9002 6.1838 6.1838 6.3736 6.3736 6.6202 6.6202 7.3593 7.3593 7.5829 7.5829 8.2768 8.2768 9.8995 9.8995 10.1112 10.1112 k = 0.3657 0.5223 0.3227 ( 4489 PWs) bands (ev): -19.9130 -19.9130 -19.9069 -19.9069 -6.6688 -6.6688 -6.6437 -6.6437 -4.9202 -4.9202 -4.7703 -4.7703 -4.6253 -4.6253 -4.5446 -4.5446 -2.0753 -2.0753 -1.9040 -1.9040 0.9163 0.9163 1.9945 1.9945 4.2936 4.2936 4.8804 4.8804 6.1739 6.1739 6.3566 6.3566 6.6601 6.6601 7.3181 7.3181 7.5076 7.5076 8.4252 8.4252 9.9231 9.9231 10.1712 10.1712 k = 0.3582 0.5386 0.3406 ( 4499 PWs) bands (ev): -19.9130 -19.9130 -19.9062 -19.9062 -6.6719 -6.6719 -6.6465 -6.6465 -4.9288 -4.9288 -4.7768 -4.7768 -4.6257 -4.6257 -4.5429 -4.5429 -2.0563 -2.0563 -1.8606 -1.8606 0.8331 0.8331 2.0052 2.0052 4.2707 4.2707 4.8609 4.8609 6.1637 6.1637 6.3341 6.3341 6.7028 6.7028 7.2851 7.2851 7.4342 7.4342 8.5707 8.5707 9.9516 9.9516 10.2302 10.2302 k = 0.3508 0.5549 0.3586 ( 4491 PWs) bands (ev): -19.9130 -19.9130 -19.9055 -19.9055 -6.6748 -6.6748 -6.6492 -6.6492 -4.9369 -4.9369 -4.7833 -4.7833 -4.6263 -4.6263 -4.5410 -4.5410 -2.0381 -2.0381 -1.8156 -1.8156 0.7497 0.7497 2.0158 2.0158 4.2520 4.2520 4.8419 4.8419 6.1531 6.1531 6.3067 6.3067 6.7481 6.7481 7.2593 7.2593 7.3632 7.3632 8.7116 8.7116 9.9856 9.9856 10.2864 10.2864 k = 0.3433 0.5712 0.3765 ( 4483 PWs) bands (ev): -19.9130 -19.9130 -19.9047 -19.9047 -6.6776 -6.6776 -6.6520 -6.6520 -4.9445 -4.9445 -4.7900 -4.7900 -4.6269 -4.6269 -4.5388 -4.5388 -2.0210 -2.0210 -1.7692 -1.7692 0.6665 0.6665 2.0261 2.0261 4.2374 4.2374 4.8234 4.8234 6.1423 6.1423 6.2758 6.2758 6.7961 6.7961 7.2396 7.2396 7.2946 7.2946 8.8455 8.8455 10.0253 10.0253 10.3374 10.3374 k = 0.3359 0.5875 0.3944 ( 4461 PWs) bands (ev): -19.9130 -19.9130 -19.9040 -19.9040 -6.6802 -6.6802 -6.6549 -6.6549 -4.9515 -4.9515 -4.7965 -4.7965 -4.6277 -4.6277 -4.5365 -4.5365 -2.0051 -2.0051 -1.7214 -1.7214 0.5838 0.5838 2.0363 2.0363 4.2270 4.2270 4.8056 4.8056 6.1313 6.1313 6.2424 6.2424 6.8468 6.8468 7.2240 7.2240 7.2291 7.2291 8.9694 8.9694 10.0706 10.0706 10.3240 10.3240 k = 0.3284 0.6038 0.4123 ( 4465 PWs) bands (ev): -19.9131 -19.9131 -19.9033 -19.9033 -6.6826 -6.6826 -6.6576 -6.6576 -4.9578 -4.9578 -4.8030 -4.8030 -4.6287 -4.6287 -4.5339 -4.5339 -1.9906 -1.9906 -1.6724 -1.6724 0.5020 0.5020 2.0461 2.0461 4.2206 4.2206 4.7888 4.7888 6.1201 6.1201 6.2078 6.2078 6.8999 6.8999 7.1650 7.1650 7.2133 7.2133 9.0797 9.0797 10.1210 10.1210 10.2465 10.2465 k = 0.3209 0.6201 0.4303 ( 4477 PWs) bands (ev): -19.9132 -19.9132 -19.9026 -19.9026 -6.6848 -6.6848 -6.6604 -6.6604 -4.9634 -4.9634 -4.8093 -4.8093 -4.6299 -4.6299 -4.5311 -4.5311 -1.9778 -1.9778 -1.6224 -1.6224 0.4214 0.4214 2.0556 2.0556 4.2184 4.2184 4.7730 4.7730 6.1086 6.1086 6.1732 6.1732 6.9555 6.9555 7.1043 7.1043 7.2043 7.2043 9.1719 9.1719 10.1554 10.1554 10.1934 10.1934 k = 0.3135 0.6364 0.4482 ( 4481 PWs) bands (ev): -19.9133 -19.9133 -19.9019 -19.9019 -6.6867 -6.6867 -6.6630 -6.6630 -4.9683 -4.9683 -4.8153 -4.8153 -4.6313 -4.6313 -4.5282 -4.5282 -1.9668 -1.9668 -1.5713 -1.5713 0.3424 0.3424 2.0649 2.0649 4.2201 4.2201 4.7583 4.7583 6.0963 6.0963 6.1402 6.1402 7.0131 7.0131 7.0464 7.0464 7.1972 7.1972 9.2422 9.2422 10.0924 10.0924 10.2460 10.2460 k = 0.3060 0.6527 0.4661 ( 4477 PWs) bands (ev): -19.9135 -19.9135 -19.9012 -19.9012 -6.6883 -6.6883 -6.6656 -6.6656 -4.9724 -4.9724 -4.8211 -4.8211 -4.6329 -4.6329 -4.5253 -4.5253 -1.9579 -1.9579 -1.5194 -1.5194 0.2652 0.2652 2.0739 2.0739 4.2259 4.2259 4.7450 4.7450 6.0816 6.0816 6.1111 6.1111 6.9908 6.9908 7.0733 7.0733 7.1915 7.1915 9.2882 9.2882 10.0234 10.0234 10.3130 10.3130 k = 0.2986 0.6690 0.4841 ( 4461 PWs) bands (ev): -19.9137 -19.9137 -19.9006 -19.9006 -6.6897 -6.6897 -6.6680 -6.6680 -4.9757 -4.9757 -4.8266 -4.8266 -4.6347 -4.6347 -4.5222 -4.5222 -1.9513 -1.9513 -1.4669 -1.4669 0.1902 0.1902 2.0827 2.0827 4.2356 4.2356 4.7330 4.7330 6.0607 6.0607 6.0902 6.0902 6.9382 6.9382 7.1334 7.1334 7.1884 7.1884 9.3100 9.3100 9.9571 9.9571 10.3849 10.3849 k = 0.2911 0.6853 0.5020 ( 4465 PWs) bands (ev): -19.9139 -19.9139 -19.8999 -19.8999 -6.6908 -6.6908 -6.6702 -6.6702 -4.9782 -4.9782 -4.8318 -4.8318 -4.6368 -4.6368 -4.5191 -4.5191 -1.9472 -1.9472 -1.4138 -1.4138 0.1177 0.1177 2.0913 2.0913 4.2492 4.2492 4.7224 4.7224 6.0351 6.0351 6.0765 6.0765 6.8884 6.8884 7.1707 7.1707 7.2107 7.2107 9.3106 9.3106 9.8943 9.8943 10.4605 10.4605 k = 0.2836 0.7016 0.5199 ( 4461 PWs) bands (ev): -19.9142 -19.9142 -19.8993 -19.8993 -6.6916 -6.6916 -6.6721 -6.6721 -4.9798 -4.9798 -4.8367 -4.8367 -4.6390 -4.6390 -4.5160 -4.5160 -1.9458 -1.9458 -1.3604 -1.3604 0.0479 0.0479 2.1000 2.1000 4.2666 4.2666 4.7134 4.7134 6.0093 6.0093 6.0658 6.0658 6.8412 6.8412 7.1708 7.1708 7.2729 7.2729 9.2944 9.2944 9.8351 9.8351 10.5381 10.5381 k = 0.2762 0.7179 0.5378 ( 4463 PWs) bands (ev): -19.9145 -19.9145 -19.8987 -19.8987 -6.6923 -6.6923 -6.6737 -6.6737 -4.9805 -4.9805 -4.8413 -4.8413 -4.6414 -4.6414 -4.5129 -4.5129 -1.9473 -1.9473 -1.3068 -1.3068 -0.0188 -0.0188 2.1089 2.1089 4.2877 4.2877 4.7061 4.7061 5.9850 5.9850 6.0566 6.0566 6.7967 6.7967 7.1673 7.1673 7.3410 7.3410 9.2658 9.2658 9.7799 9.7799 10.6117 10.6117 k = 0.2762 0.7179 0.5378 ( 4463 PWs) bands (ev): -19.9145 -19.9145 -19.8987 -19.8987 -6.6923 -6.6923 -6.6737 -6.6737 -4.9805 -4.9805 -4.8413 -4.8413 -4.6414 -4.6414 -4.5129 -4.5129 -1.9473 -1.9473 -1.3068 -1.3068 -0.0188 -0.0188 2.1089 2.1089 4.2877 4.2877 4.7061 4.7061 5.9850 5.9850 6.0566 6.0566 6.7967 6.7967 7.1673 7.1673 7.3410 7.3410 9.2658 9.2658 9.7799 9.7799 10.6117 10.6117 k = 0.2532 0.7131 0.5431 ( 4468 PWs) bands (ev): -19.9146 -19.9146 -19.8985 -19.8985 -6.6924 -6.6924 -6.6741 -6.6741 -4.9804 -4.9804 -4.8428 -4.8428 -4.6418 -4.6418 -4.5122 -4.5122 -1.9488 -1.9488 -1.2901 -1.2901 -0.0385 -0.0385 2.1110 2.1110 4.2989 4.2989 4.7042 4.7042 5.9251 5.9251 6.1061 6.1061 6.7818 6.7818 7.1665 7.1665 7.3654 7.3654 9.2290 9.2290 9.7904 9.7904 10.5844 10.5844 k = 0.2302 0.7084 0.5483 ( 4466 PWs) bands (ev): -19.9147 -19.9147 -19.8983 -19.8983 -6.6925 -6.6925 -6.6745 -6.6745 -4.9800 -4.9800 -4.8450 -4.8450 -4.6417 -4.6417 -4.5116 -4.5116 -1.9513 -1.9513 -1.2718 -1.2718 -0.0590 -0.0590 2.1118 2.1118 4.3189 4.3189 4.7026 4.7026 5.8394 5.8394 6.1792 6.1792 6.7636 6.7636 7.1664 7.1664 7.3967 7.3967 9.1497 9.1497 9.8432 9.8432 10.4820 10.4820 k = 0.2071 0.7036 0.5536 ( 4469 PWs) bands (ev): -19.9149 -19.9149 -19.8981 -19.8981 -6.6925 -6.6925 -6.6749 -6.6749 -4.9793 -4.9793 -4.8476 -4.8476 -4.6410 -4.6410 -4.5114 -4.5114 -1.9544 -1.9544 -1.2526 -1.2526 -0.0797 -0.0797 2.1114 2.1114 4.3474 4.3474 4.7011 4.7011 5.7503 5.7503 6.2534 6.2534 6.7437 6.7437 7.1672 7.1672 7.4325 7.4325 9.0483 9.0483 9.9198 9.9198 10.3765 10.3765 k = 0.1841 0.6988 0.5588 ( 4471 PWs) bands (ev): -19.9151 -19.9151 -19.8979 -19.8979 -6.6925 -6.6925 -6.6753 -6.6753 -4.9783 -4.9783 -4.8505 -4.8505 -4.6399 -4.6399 -4.5113 -4.5113 -1.9579 -1.9579 -1.2331 -1.2331 -0.1002 -0.1002 2.1098 2.1098 4.3840 4.3840 4.6999 4.6999 5.6598 5.6598 6.3263 6.3263 6.7237 6.7237 7.1690 7.1690 7.4708 7.4708 8.9384 8.9384 10.0079 10.0079 10.2761 10.2761 k = 0.1611 0.6941 0.5641 ( 4472 PWs) bands (ev): -19.9152 -19.9152 -19.8977 -19.8977 -6.6924 -6.6924 -6.6758 -6.6758 -4.9771 -4.9771 -4.8537 -4.8537 -4.6385 -4.6385 -4.5115 -4.5115 -1.9615 -1.9615 -1.2140 -1.2140 -0.1199 -0.1199 2.1073 2.1073 4.4280 4.4280 4.6989 4.6989 5.5688 5.5688 6.3964 6.3964 6.7047 6.7047 7.1721 7.1721 7.5099 7.5099 8.8278 8.8278 10.1007 10.1007 10.1835 10.1835 k = 0.1381 0.6893 0.5693 ( 4476 PWs) bands (ev): -19.9154 -19.9154 -19.8975 -19.8975 -6.6922 -6.6922 -6.6762 -6.6762 -4.9758 -4.9758 -4.8570 -4.8570 -4.6368 -4.6368 -4.5119 -4.5119 -1.9649 -1.9649 -1.1959 -1.1959 -0.1384 -0.1384 2.1042 2.1042 4.4786 4.4786 4.6982 4.6982 5.4780 5.4780 6.4619 6.4619 6.6874 6.6874 7.1767 7.1767 7.5482 7.5482 8.7210 8.7210 10.0975 10.0975 10.1967 10.1967 k = 0.1151 0.6845 0.5745 ( 4473 PWs) bands (ev): -19.9155 -19.9155 -19.8973 -19.8973 -6.6920 -6.6920 -6.6767 -6.6767 -4.9745 -4.9745 -4.8601 -4.8601 -4.6351 -4.6351 -4.5123 -4.5123 -1.9681 -1.9681 -1.1794 -1.1794 -0.1550 -0.1550 2.1007 2.1007 4.5347 4.5347 4.6980 4.6980 5.3880 5.3880 6.5211 6.5211 6.6729 6.6729 7.1828 7.1828 7.5842 7.5842 8.6217 8.6217 10.0235 10.0235 10.2885 10.2885 k = 0.0921 0.6798 0.5798 ( 4463 PWs) bands (ev): -19.9157 -19.9157 -19.8972 -19.8972 -6.6918 -6.6918 -6.6771 -6.6771 -4.9732 -4.9732 -4.8630 -4.8630 -4.6335 -4.6335 -4.5128 -4.5128 -1.9708 -1.9708 -1.1650 -1.1650 -0.1693 -0.1693 2.0973 2.0973 4.5945 4.5945 4.6991 4.6991 5.2998 5.2998 6.5709 6.5709 6.6625 6.6625 7.1904 7.1904 7.6164 7.6164 8.5331 8.5331 9.9604 9.9604 10.3741 10.3741 k = 0.0690 0.6750 0.5850 ( 4466 PWs) bands (ev): -19.9158 -19.9158 -19.8970 -19.8970 -6.6916 -6.6916 -6.6775 -6.6775 -4.9721 -4.9721 -4.8655 -4.8655 -4.6320 -4.6320 -4.5133 -4.5133 -1.9731 -1.9731 -1.1532 -1.1532 -0.1810 -0.1810 2.0943 2.0943 4.6522 4.6522 4.7055 4.7055 5.2147 5.2147 6.6057 6.6057 6.6604 6.6604 7.1988 7.1988 7.6433 7.6433 8.4586 8.4586 9.9096 9.9096 10.4470 10.4470 k = 0.0460 0.6702 0.5903 ( 4468 PWs) bands (ev): -19.9158 -19.9158 -19.8969 -19.8969 -6.6914 -6.6914 -6.6778 -6.6778 -4.9712 -4.9712 -4.8674 -4.8674 -4.6309 -4.6309 -4.5137 -4.5137 -1.9747 -1.9747 -1.1445 -1.1445 -0.1896 -0.1896 2.0919 2.0919 4.6822 4.6822 4.7395 4.7395 5.1359 5.1359 6.6190 6.6190 6.6714 6.6714 7.2067 7.2067 7.6637 7.6637 8.4017 8.4017 9.8724 9.8724 10.5003 10.5003 k = 0.0230 0.6654 0.5955 ( 4464 PWs) bands (ev): -19.9159 -19.9159 -19.8969 -19.8969 -6.6913 -6.6913 -6.6779 -6.6779 -4.9706 -4.9706 -4.8686 -4.8686 -4.6301 -4.6301 -4.5140 -4.5140 -1.9757 -1.9757 -1.1391 -1.1391 -0.1949 -0.1949 2.0904 2.0904 4.6874 4.6874 4.7903 4.7903 5.0711 5.0711 6.6204 6.6204 6.6851 6.6851 7.2125 7.2125 7.6765 7.6765 8.3658 8.3658 9.8497 9.8497 10.5308 10.5308 k = 0.0000 0.6607 0.6008 ( 4466 PWs) bands (ev): -19.9159 -19.9159 -19.8969 -19.8969 -6.6913 -6.6913 -6.6780 -6.6780 -4.9704 -4.9704 -4.8690 -4.8690 -4.6299 -4.6299 -4.5141 -4.5141 -1.9760 -1.9760 -1.1373 -1.1373 -0.1966 -0.1966 2.0898 2.0898 4.6882 4.6882 4.8152 4.8152 5.0424 5.0424 6.6202 6.6202 6.6905 6.6905 7.2146 7.2146 7.6808 7.6808 8.3535 8.3535 9.8421 9.8421 10.5405 10.5405 k = 0.0000 0.6607 0.6008 ( 4466 PWs) bands (ev): -19.9159 -19.9159 -19.8969 -19.8969 -6.6913 -6.6913 -6.6780 -6.6780 -4.9704 -4.9704 -4.8690 -4.8690 -4.6299 -4.6299 -4.5141 -4.5141 -1.9760 -1.9760 -1.1373 -1.1373 -0.1966 -0.1966 2.0898 2.0898 4.6882 4.6882 4.8152 4.8152 5.0424 5.0424 6.6202 6.6202 6.6905 6.6905 7.2146 7.2146 7.6808 7.6808 8.3535 8.3535 9.8421 9.8421 10.5405 10.5405 k = 0.0076 0.6441 0.6190 ( 4464 PWs) bands (ev): -19.9159 -19.9159 -19.8969 -19.8969 -6.6913 -6.6913 -6.6780 -6.6780 -4.9702 -4.9702 -4.8687 -4.8687 -4.6302 -4.6302 -4.5143 -4.5143 -1.9760 -1.9760 -1.1382 -1.1382 -0.1962 -0.1962 2.0871 2.0871 4.6844 4.6844 4.8152 4.8152 5.0473 5.0473 6.6199 6.6199 6.6929 6.6929 7.2131 7.2131 7.6756 7.6756 8.3632 8.3632 9.8447 9.8447 10.5459 10.5459 k = 0.0152 0.6276 0.6372 ( 4464 PWs) bands (ev): -19.9158 -19.9158 -19.8968 -19.8968 -6.6914 -6.6914 -6.6779 -6.6779 -4.9697 -4.9697 -4.8681 -4.8681 -4.6311 -4.6311 -4.5151 -4.5151 -1.9758 -1.9758 -1.1410 -1.1410 -0.1947 -0.1947 2.0789 2.0789 4.6737 4.6737 4.8153 4.8153 5.0610 5.0610 6.6188 6.6188 6.7003 6.7003 7.2086 7.2086 7.6612 7.6612 8.3913 8.3913 9.8525 9.8525 10.5618 10.5618 k = 0.0227 0.6110 0.6554 ( 4464 PWs) bands (ev): -19.9157 -19.9157 -19.8968 -19.8968 -6.6915 -6.6915 -6.6777 -6.6777 -4.9688 -4.9688 -4.8670 -4.8670 -4.6326 -4.6326 -4.5164 -4.5164 -1.9755 -1.9755 -1.1457 -1.1457 -0.1922 -0.1922 2.0653 2.0653 4.6578 4.6578 4.8160 4.8160 5.0815 5.0815 6.6165 6.6165 6.7127 6.7127 7.2013 7.2013 7.6404 7.6404 8.4352 8.4352 9.8657 9.8657 10.5861 10.5861 k = 0.0303 0.5945 0.6736 ( 4466 PWs) bands (ev): -19.9155 -19.9155 -19.8968 -19.8968 -6.6917 -6.6917 -6.6774 -6.6774 -4.9675 -4.9675 -4.8655 -4.8655 -4.6347 -4.6347 -4.5182 -4.5182 -1.9750 -1.9750 -1.1523 -1.1523 -0.1887 -0.1887 2.0465 2.0465 4.6387 4.6387 4.8174 4.8174 5.1063 5.1063 6.6125 6.6125 6.7298 6.7298 7.1914 7.1914 7.6168 7.6168 8.4919 8.4919 9.8843 9.8843 10.6132 10.6132 k = 0.0379 0.5779 0.6918 ( 4468 PWs) bands (ev): -19.9152 -19.9152 -19.8967 -19.8967 -6.6919 -6.6919 -6.6772 -6.6772 -4.9659 -4.9659 -4.8636 -4.8636 -4.6373 -4.6373 -4.5204 -4.5204 -1.9744 -1.9744 -1.1607 -1.1607 -0.1841 -0.1841 2.0226 2.0226 4.6183 4.6183 4.8194 4.8194 5.1337 5.1337 6.6069 6.6069 6.7505 6.7505 7.1790 7.1790 7.5939 7.5939 8.5588 8.5588 9.9083 9.9083 10.6223 10.6223 k = 0.0455 0.5614 0.7100 ( 4464 PWs) bands (ev): -19.9149 -19.9149 -19.8967 -19.8967 -6.6922 -6.6922 -6.6769 -6.6769 -4.9640 -4.9640 -4.8613 -4.8613 -4.6404 -4.6404 -4.5231 -4.5231 -1.9737 -1.9737 -1.1710 -1.1710 -0.1785 -0.1785 1.9940 1.9940 4.5980 4.5980 4.8219 4.8219 5.1622 5.1622 6.5998 6.5998 6.7732 6.7732 7.1646 7.1646 7.5746 7.5746 8.6339 8.6339 9.9377 9.9377 10.5797 10.5797 k = 0.0530 0.5448 0.7282 ( 4460 PWs) bands (ev): -19.9146 -19.9146 -19.8966 -19.8966 -6.6924 -6.6924 -6.6766 -6.6766 -4.9617 -4.9617 -4.8586 -4.8586 -4.6439 -4.6439 -4.5262 -4.5262 -1.9729 -1.9729 -1.1830 -1.1830 -0.1717 -0.1717 1.9609 1.9609 4.5790 4.5790 4.8249 4.8249 5.1908 5.1908 6.5916 6.5916 6.7961 6.7961 7.1484 7.1484 7.5618 7.5618 8.7157 8.7157 9.9718 9.9718 10.5011 10.5011 k = 0.0606 0.5283 0.7464 ( 4462 PWs) bands (ev): -19.9142 -19.9142 -19.8965 -19.8965 -6.6927 -6.6927 -6.6763 -6.6763 -4.9591 -4.9591 -4.8557 -4.8557 -4.6477 -4.6477 -4.5297 -4.5297 -1.9719 -1.9719 -1.1969 -1.1969 -0.1638 -0.1638 1.9236 1.9236 4.5618 4.5618 4.8280 4.8280 5.2190 5.2190 6.5823 6.5823 6.8168 6.8168 7.1307 7.1307 7.5577 7.5577 8.8034 8.8034 10.0091 10.0091 10.4117 10.4117 k = 0.0682 0.5117 0.7646 ( 4458 PWs) bands (ev): -19.9137 -19.9137 -19.8964 -19.8964 -6.6930 -6.6930 -6.6760 -6.6760 -4.9562 -4.9562 -4.8524 -4.8524 -4.6518 -4.6518 -4.5335 -4.5335 -1.9708 -1.9708 -1.2124 -1.2124 -0.1547 -0.1547 1.8825 1.8825 4.5470 4.5470 4.8312 4.8312 5.2464 5.2464 6.5722 6.5722 6.8337 6.8337 7.1121 7.1121 7.5643 7.5643 8.8963 8.8963 10.0452 10.0452 10.3243 10.3243 k = 0.0758 0.4951 0.7828 ( 4456 PWs) bands (ev): -19.9133 -19.9133 -19.8963 -19.8963 -6.6932 -6.6932 -6.6757 -6.6757 -4.9531 -4.9531 -4.8490 -4.8490 -4.6561 -4.6561 -4.5376 -4.5376 -1.9695 -1.9695 -1.2296 -1.2296 -0.1444 -0.1444 1.8380 1.8380 4.5348 4.5348 4.8342 4.8342 5.2729 5.2729 6.5615 6.5615 6.8453 6.8453 7.0926 7.0926 7.5824 7.5824 8.9939 8.9939 10.0636 10.0636 10.2588 10.2588 k = 0.0833 0.4786 0.8010 ( 4468 PWs) bands (ev): -19.9128 -19.9128 -19.8963 -19.8963 -6.6935 -6.6935 -6.6756 -6.6756 -4.9497 -4.9497 -4.8453 -4.8453 -4.6604 -4.6604 -4.5420 -4.5420 -1.9681 -1.9681 -1.2484 -1.2484 -0.1328 -0.1328 1.7904 1.7904 4.5254 4.5254 4.8369 4.8369 5.2984 5.2984 6.5501 6.5501 6.8511 6.8511 7.0727 7.0727 7.6120 7.6120 9.0960 9.0960 10.0299 10.0299 10.2513 10.2513 k = 0.0909 0.4620 0.8192 ( 4474 PWs) bands (ev): -19.9122 -19.9122 -19.8962 -19.8962 -6.6938 -6.6938 -6.6754 -6.6754 -4.9462 -4.9462 -4.8416 -4.8416 -4.6648 -4.6648 -4.5465 -4.5465 -1.9665 -1.9665 -1.2687 -1.2687 -0.1198 -0.1198 1.7401 1.7401 4.5186 4.5186 4.8391 4.8391 5.3231 5.3231 6.5383 6.5383 6.8516 6.8516 7.0526 7.0526 7.6520 7.6520 9.2025 9.2025 9.9541 9.9541 10.2928 10.2928 k = 0.0985 0.4455 0.8374 ( 4474 PWs) bands (ev): -19.9116 -19.9116 -19.8961 -19.8961 -6.6940 -6.6940 -6.6754 -6.6754 -4.9424 -4.9424 -4.8378 -4.8378 -4.6691 -4.6691 -4.5513 -4.5513 -1.9646 -1.9646 -1.2904 -1.2904 -0.1054 -0.1054 1.6875 1.6875 4.5146 4.5146 4.8407 4.8407 5.3471 5.3471 6.5259 6.5259 6.8476 6.8476 7.0325 7.0325 7.7007 7.7007 9.3132 9.3132 9.8665 9.8665 10.3537 10.3537 k = 0.1061 0.4289 0.8556 ( 4478 PWs) bands (ev): -19.9110 -19.9110 -19.8960 -19.8960 -6.6942 -6.6942 -6.6754 -6.6754 -4.9385 -4.9385 -4.8340 -4.8340 -4.6732 -4.6732 -4.5561 -4.5561 -1.9626 -1.9626 -1.3134 -1.3134 -0.0895 -0.0895 1.6328 1.6328 4.5131 4.5131 4.8416 4.8416 5.3708 5.3708 6.5130 6.5130 6.8404 6.8404 7.0126 7.0126 7.7561 7.7561 9.4280 9.4280 9.7776 9.7776 10.4238 10.4238 k = 0.1136 0.4124 0.8738 ( 4468 PWs) bands (ev): -19.9104 -19.9104 -19.8960 -19.8960 -6.6945 -6.6945 -6.6755 -6.6755 -4.9344 -4.9344 -4.8303 -4.8303 -4.6770 -4.6770 -4.5610 -4.5610 -1.9602 -1.9602 -1.3376 -1.3376 -0.0721 -0.0721 1.5765 1.5765 4.5140 4.5140 4.8417 4.8417 5.3943 5.3943 6.4996 6.4996 6.8310 6.8310 6.9931 6.9931 7.8162 7.8162 9.5460 9.5460 9.6917 9.6917 10.5001 10.5001 k = 0.1212 0.3958 0.8920 ( 4474 PWs) bands (ev): -19.9097 -19.9097 -19.8959 -19.8959 -6.6946 -6.6946 -6.6757 -6.6757 -4.9303 -4.9303 -4.8268 -4.8268 -4.6805 -4.6805 -4.5658 -4.5658 -1.9575 -1.9575 -1.3629 -1.3629 -0.0532 -0.0532 1.5188 1.5188 4.5171 4.5171 4.8409 4.8409 5.4179 5.4179 6.4855 6.4855 6.8205 6.8205 6.9740 6.9740 7.8794 7.8794 9.6014 9.6014 9.6756 9.6756 10.5813 10.5813 k = 0.1288 0.3793 0.9102 ( 4476 PWs) bands (ev): -19.9090 -19.9090 -19.8959 -19.8959 -6.6948 -6.6948 -6.6760 -6.6760 -4.9262 -4.9262 -4.8235 -4.8235 -4.6835 -4.6835 -4.5706 -4.5706 -1.9545 -1.9545 -1.3890 -1.3890 -0.0326 -0.0326 1.4601 1.4601 4.5221 4.5221 4.8391 4.8391 5.4419 5.4419 6.4706 6.4706 6.8094 6.8094 6.9555 6.9555 7.9443 7.9443 9.5253 9.5253 9.7991 9.7991 10.6664 10.6664 k = 0.1364 0.3627 0.9284 ( 4474 PWs) bands (ev): -19.9083 -19.9083 -19.8959 -19.8959 -6.6949 -6.6949 -6.6764 -6.6764 -4.9221 -4.9221 -4.8205 -4.8205 -4.6859 -4.6859 -4.5754 -4.5754 -1.9510 -1.9510 -1.4158 -1.4158 -0.0103 -0.0103 1.4006 1.4006 4.5288 4.5288 4.8363 4.8363 5.4665 5.4665 6.4548 6.4548 6.7983 6.7983 6.9374 6.9374 8.0098 8.0098 9.4513 9.4513 9.9287 9.9287 10.7551 10.7551 k = 0.1439 0.3462 0.9466 ( 4476 PWs) bands (ev): -19.9076 -19.9076 -19.8959 -19.8959 -6.6950 -6.6950 -6.6769 -6.6769 -4.9180 -4.9180 -4.8179 -4.8179 -4.6878 -4.6878 -4.5799 -4.5799 -1.9471 -1.9471 -1.4433 -1.4433 0.0138 0.0138 1.3405 1.3405 4.5369 4.5369 4.8326 4.8326 5.4920 5.4920 6.4379 6.4379 6.7876 6.7876 6.9198 6.9198 8.0750 8.0750 9.3821 9.3821 10.0612 10.0612 10.8468 10.8468 k = 0.1515 0.3296 0.9649 ( 4480 PWs) bands (ev): -19.9069 -19.9069 -19.8959 -19.8959 -6.6950 -6.6950 -6.6774 -6.6774 -4.9141 -4.9141 -4.8157 -4.8157 -4.6892 -4.6892 -4.5843 -4.5843 -1.9426 -1.9426 -1.4711 -1.4711 0.0396 0.0396 1.2801 1.2801 4.5461 4.5461 4.8280 4.8280 5.5188 5.5188 6.4197 6.4197 6.7775 6.7775 6.9027 6.9027 8.1392 8.1392 9.3180 9.3180 10.1957 10.1957 10.9411 10.9411 k = 0.1591 0.3131 0.9831 ( 4478 PWs) bands (ev): -19.9062 -19.9062 -19.8959 -19.8959 -6.6950 -6.6950 -6.6781 -6.6781 -4.9103 -4.9103 -4.8139 -4.8139 -4.6899 -4.6899 -4.5885 -4.5885 -1.9374 -1.9374 -1.4991 -1.4991 0.0671 0.0671 1.2196 1.2196 4.5563 4.5563 4.8224 4.8224 5.5468 5.5468 6.4000 6.4000 6.7681 6.7681 6.8861 6.8861 8.2021 8.2021 9.2592 9.2592 10.3313 10.3313 11.0377 11.0377 k = 0.1667 0.2965 1.0013 ( 4480 PWs) bands (ev): -19.9055 -19.9055 -19.8960 -19.8960 -6.6950 -6.6950 -6.6788 -6.6788 -4.9066 -4.9066 -4.8126 -4.8126 -4.6900 -4.6900 -4.5925 -4.5925 -1.9316 -1.9316 -1.5273 -1.5273 0.0965 0.0965 1.1592 1.1592 4.5673 4.5673 4.8161 4.8161 5.5764 5.5764 6.3785 6.3785 6.7595 6.7595 6.8700 6.8700 8.2633 8.2633 9.2054 9.2054 10.4668 10.4668 11.1362 11.1362 k = 0.1742 0.2799 1.0195 ( 4484 PWs) bands (ev): -19.9048 -19.9048 -19.8961 -19.8961 -6.6949 -6.6949 -6.6796 -6.6796 -4.9032 -4.9032 -4.8116 -4.8116 -4.6897 -4.6897 -4.5962 -4.5962 -1.9250 -1.9250 -1.5552 -1.5552 0.1278 0.1278 1.0990 1.0990 4.5787 4.5787 4.8090 4.8090 5.6076 5.6076 6.3552 6.3552 6.7517 6.7517 6.8546 6.8546 8.3225 8.3225 9.1564 9.1564 10.6010 10.6010 11.2361 11.2361 k = 0.1818 0.2634 1.0377 ( 4486 PWs) bands (ev): -19.9041 -19.9041 -19.8962 -19.8962 -6.6947 -6.6947 -6.6804 -6.6804 -4.9000 -4.9000 -4.8110 -4.8110 -4.6889 -4.6889 -4.5995 -4.5995 -1.9175 -1.9175 -1.5829 -1.5829 0.1609 0.1609 1.0393 1.0393 4.5904 4.5904 4.8012 4.8012 5.6405 5.6405 6.3297 6.3297 6.7448 6.7448 6.8399 6.8399 8.3796 8.3796 9.1117 9.1117 10.7324 10.7324 11.3368 11.3368 k = 0.1894 0.2468 1.0559 ( 4484 PWs) bands (ev): -19.9035 -19.9035 -19.8964 -19.8964 -6.6945 -6.6945 -6.6813 -6.6813 -4.8971 -4.8971 -4.8106 -4.8106 -4.6878 -4.6878 -4.6026 -4.6026 -1.9091 -1.9091 -1.6102 -1.6102 0.1958 0.1958 0.9802 0.9802 4.6022 4.6022 4.7929 4.7929 5.6751 5.6751 6.3020 6.3020 6.7386 6.7386 6.8262 6.8262 8.4345 8.4345 9.0708 9.0708 10.8596 10.8596 11.4373 11.4373 k = 0.1970 0.2303 1.0741 ( 4490 PWs) bands (ev): -19.9028 -19.9028 -19.8966 -19.8966 -6.6943 -6.6943 -6.6822 -6.6822 -4.8945 -4.8945 -4.8105 -4.8105 -4.6864 -4.6864 -4.6054 -4.6054 -1.8997 -1.8997 -1.6368 -1.6368 0.2325 0.2325 0.9218 0.9218 4.6140 4.6140 4.7842 4.7842 5.7114 5.7114 6.2719 6.2719 6.7331 6.7331 6.8137 6.8137 8.4872 8.4872 9.0330 9.0330 10.9814 10.9814 11.5362 11.5362 k = 0.2045 0.2137 1.0923 ( 4492 PWs) bands (ev): -19.9022 -19.9022 -19.8968 -19.8968 -6.6939 -6.6939 -6.6831 -6.6831 -4.8923 -4.8923 -4.8105 -4.8105 -4.6850 -4.6850 -4.6078 -4.6078 -1.8892 -1.8892 -1.6627 -1.6627 0.2710 0.2710 0.8643 0.8643 4.6256 4.6256 4.7753 4.7753 5.7492 5.7492 6.2395 6.2395 6.7284 6.7284 6.8026 6.8026 8.5375 8.5375 8.9976 8.9976 11.0965 11.0965 11.6305 11.6305 k = 0.2121 0.1972 1.1105 ( 4490 PWs) bands (ev): -19.9016 -19.9016 -19.8970 -19.8970 -6.6935 -6.6935 -6.6840 -6.6840 -4.8903 -4.8903 -4.8106 -4.8106 -4.6836 -4.6836 -4.6099 -4.6099 -1.8777 -1.8777 -1.6876 -1.6876 0.3113 0.3113 0.8078 0.8078 4.6369 4.6369 4.7662 4.7662 5.7884 5.7884 6.2049 6.2049 6.7243 6.7243 6.7930 6.7930 8.5854 8.5854 8.9639 8.9639 11.2045 11.2045 11.7139 11.7139 k = 0.2197 0.1806 1.1287 ( 4490 PWs) bands (ev): -19.9010 -19.9010 -19.8973 -19.8973 -6.6931 -6.6931 -6.6849 -6.6849 -4.8887 -4.8887 -4.8108 -4.8108 -4.6822 -4.6822 -4.6116 -4.6116 -1.8650 -1.8650 -1.7114 -1.7114 0.3532 0.3532 0.7525 0.7525 4.6476 4.6476 4.7572 4.7572 5.8287 5.8287 6.1683 6.1683 6.7210 6.7210 6.7851 6.7851 8.6310 8.6310 8.9312 8.9312 11.3049 11.3049 11.7719 11.7719 k = 0.2273 0.1641 1.1469 ( 4482 PWs) bands (ev): -19.9004 -19.9004 -19.8977 -19.8977 -6.6927 -6.6927 -6.6857 -6.6857 -4.8875 -4.8875 -4.8110 -4.8110 -4.6811 -4.6811 -4.6129 -4.6129 -1.8513 -1.8513 -1.7340 -1.7340 0.3967 0.3967 0.6986 0.6986 4.6575 4.6575 4.7486 4.7486 5.8697 5.8697 6.1301 6.1301 6.7184 6.7184 6.7789 6.7789 8.6740 8.6740 8.8989 8.8989 11.3981 11.3981 11.7852 11.7852 k = 0.2348 0.1475 1.1651 ( 4486 PWs) bands (ev): -19.8999 -19.8999 -19.8980 -19.8980 -6.6923 -6.6923 -6.6863 -6.6863 -4.8866 -4.8866 -4.8111 -4.8111 -4.6802 -4.6802 -4.6139 -4.6139 -1.8369 -1.8369 -1.7549 -1.7549 0.4413 0.4413 0.6464 0.6464 4.6659 4.6659 4.7411 4.7411 5.9106 5.9106 6.0912 6.0912 6.7165 6.7165 6.7745 6.7745 8.7143 8.7143 8.8667 8.8667 11.4844 11.4844 11.7558 11.7558 k = 0.2424 0.1310 1.1833 ( 4476 PWs) bands (ev): -19.8994 -19.8994 -19.8984 -19.8984 -6.6920 -6.6920 -6.6868 -6.6868 -4.8860 -4.8860 -4.8112 -4.8112 -4.6797 -4.6797 -4.6145 -4.6145 -1.8227 -1.8227 -1.7729 -1.7729 0.4856 0.4856 0.5976 0.5976 4.6719 4.6719 4.7356 4.7356 5.9492 5.9492 6.0539 6.0539 6.7153 6.7153 6.7719 6.7719 8.7506 8.7506 8.8355 8.8355 11.5642 11.5642 11.7027 11.7027 k = 0.2500 0.1144 1.2015 ( 4472 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6919 -6.6919 -6.6869 -6.6869 -4.8858 -4.8858 -4.8113 -4.8113 -4.6795 -4.6795 -4.6147 -4.6147 -1.8147 -1.8147 -1.7822 -1.7822 0.5150 0.5150 0.5667 0.5667 4.6742 4.6742 4.7336 4.7336 5.9715 5.9715 6.0319 6.0319 6.7149 6.7149 6.7710 6.7710 8.7720 8.7720 8.8157 8.8157 11.6361 11.6361 11.6387 11.6387 k = 0.2500 0.1144 1.2015 ( 4472 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6919 -6.6919 -6.6869 -6.6869 -4.8858 -4.8858 -4.8113 -4.8113 -4.6795 -4.6795 -4.6147 -4.6147 -1.8147 -1.8147 -1.7822 -1.7822 0.5150 0.5150 0.5667 0.5667 4.6742 4.6742 4.7336 4.7336 5.9715 5.9715 6.0319 6.0319 6.7149 6.7149 6.7710 6.7710 8.7720 8.7720 8.8157 8.8157 11.6361 11.6361 11.6387 11.6387 k = 0.2708 0.1239 1.1910 ( 4478 PWs) bands (ev): -19.8991 -19.8991 -19.8987 -19.8987 -6.6919 -6.6919 -6.6869 -6.6869 -4.8856 -4.8856 -4.8118 -4.8118 -4.6791 -4.6791 -4.6149 -4.6149 -1.8160 -1.8160 -1.7807 -1.7807 0.5092 0.5092 0.5728 0.5728 4.6741 4.6741 4.7336 4.7336 5.9681 5.9681 6.0367 6.0367 6.7134 6.7134 6.7692 6.7692 8.7712 8.7712 8.8220 8.8220 11.6055 11.6055 11.6564 11.6564 k = 0.2917 0.1335 1.1805 ( 4484 PWs) bands (ev): -19.8992 -19.8992 -19.8986 -19.8986 -6.6919 -6.6919 -6.6869 -6.6869 -4.8850 -4.8850 -4.8132 -4.8132 -4.6778 -4.6778 -4.6154 -4.6154 -1.8187 -1.8187 -1.7775 -1.7775 0.4984 0.4984 0.5843 0.5843 4.6740 4.6740 4.7337 4.7337 5.9617 5.9617 6.0474 6.0474 6.7090 6.7090 6.7638 6.7638 8.7728 8.7728 8.8362 8.8362 11.5677 11.5677 11.6554 11.6554 k = 0.3125 0.1430 1.1701 ( 4483 PWs) bands (ev): -19.8993 -19.8993 -19.8985 -19.8985 -6.6919 -6.6919 -6.6869 -6.6869 -4.8840 -4.8840 -4.8155 -4.8155 -4.6757 -4.6757 -4.6162 -4.6162 -1.8214 -1.8214 -1.7741 -1.7741 0.4885 0.4885 0.5956 0.5956 4.6743 4.6743 4.7336 4.7336 5.9559 5.9559 6.0600 6.0600 6.7019 6.7019 6.7551 6.7551 8.7798 8.7798 8.8544 8.8544 11.5247 11.5247 11.6346 11.6346 k = 0.3333 0.1525 1.1596 ( 4489 PWs) bands (ev): -19.8995 -19.8995 -19.8984 -19.8984 -6.6919 -6.6919 -6.6868 -6.6868 -4.8827 -4.8827 -4.8185 -4.8185 -4.6730 -4.6730 -4.6174 -4.6174 -1.8234 -1.8234 -1.7712 -1.7712 0.4811 0.4811 0.6048 0.6048 4.6751 4.6751 4.7332 4.7332 5.9526 5.9526 6.0726 6.0726 6.6922 6.6922 6.7434 6.7434 8.7923 8.7923 8.8746 8.8746 11.4778 11.4778 11.5964 11.5964 k = 0.3542 0.1621 1.1491 ( 4484 PWs) bands (ev): -19.8995 -19.8995 -19.8984 -19.8984 -6.6919 -6.6919 -6.6867 -6.6867 -4.8810 -4.8810 -4.8221 -4.8221 -4.6697 -4.6697 -4.6189 -4.6189 -1.8243 -1.8243 -1.7691 -1.7691 0.4771 0.4771 0.6111 0.6111 4.6765 4.6765 4.7325 4.7325 5.9525 5.9525 6.0842 6.0842 6.6806 6.6806 6.7294 6.7294 8.8094 8.8094 8.8955 8.8955 11.4285 11.4285 11.5459 11.5459 k = 0.3750 0.1716 1.1386 ( 4492 PWs) bands (ev): -19.8996 -19.8996 -19.8984 -19.8984 -6.6919 -6.6919 -6.6866 -6.6866 -4.8791 -4.8791 -4.8260 -4.8260 -4.6660 -4.6660 -4.6208 -4.6208 -1.8240 -1.8240 -1.7683 -1.7683 0.4768 0.4768 0.6142 0.6142 4.6787 4.6787 4.7314 4.7314 5.9558 5.9558 6.0938 6.0938 6.6676 6.6676 6.7139 6.7139 8.8298 8.8298 8.9157 8.9157 11.3788 11.3788 11.4884 11.4884 k = 0.3958 0.1812 1.1281 ( 4496 PWs) bands (ev): -19.8996 -19.8996 -19.8984 -19.8984 -6.6920 -6.6920 -6.6864 -6.6864 -4.8771 -4.8771 -4.8300 -4.8300 -4.6620 -4.6620 -4.6229 -4.6229 -1.8224 -1.8224 -1.7686 -1.7686 0.4804 0.4804 0.6139 0.6139 4.6818 4.6818 4.7299 4.7299 5.9628 5.9628 6.1007 6.1007 6.6540 6.6540 6.6979 6.6979 8.8521 8.8521 8.9338 8.9338 11.3311 11.3311 11.4289 11.4289 k = 0.4167 0.1907 1.1176 ( 4495 PWs) bands (ev): -19.8996 -19.8996 -19.8985 -19.8985 -6.6921 -6.6921 -6.6862 -6.6862 -4.8752 -4.8752 -4.8338 -4.8338 -4.6580 -4.6580 -4.6252 -4.6252 -1.8194 -1.8194 -1.7703 -1.7703 0.4880 0.4880 0.6101 0.6101 4.6857 4.6857 4.7277 4.7277 5.9733 5.9733 6.1039 6.1039 6.6409 6.6409 6.6822 6.6822 8.8745 8.8745 8.9483 8.9483 11.2878 11.2878 11.3714 11.3714 k = 0.4375 0.2002 1.1071 ( 4490 PWs) bands (ev): -19.8996 -19.8996 -19.8987 -19.8987 -6.6922 -6.6922 -6.6860 -6.6860 -4.8736 -4.8736 -4.8371 -4.8371 -4.6542 -4.6542 -4.6276 -4.6276 -1.8149 -1.8149 -1.7734 -1.7734 0.4997 0.4997 0.6027 0.6027 4.6905 4.6905 4.7250 4.7250 5.9869 5.9869 6.1028 6.1028 6.6291 6.6291 6.6678 6.6678 8.8957 8.8957 8.9577 8.9577 11.2515 11.2515 11.3186 11.3186 k = 0.4583 0.2098 1.0967 ( 4493 PWs) bands (ev): -19.8995 -19.8995 -19.8988 -19.8988 -6.6924 -6.6924 -6.6857 -6.6857 -4.8727 -4.8727 -4.8395 -4.8395 -4.6508 -4.6508 -4.6299 -4.6299 -1.8091 -1.8091 -1.7776 -1.7776 0.5155 0.5155 0.5917 0.5917 4.6961 4.6961 4.7217 4.7217 6.0030 6.0030 6.0971 6.0971 6.6197 6.6197 6.6558 6.6558 8.9144 8.9144 8.9606 8.9606 11.2240 11.2240 11.2723 11.2723 k = 0.4792 0.2193 1.0862 ( 4494 PWs) bands (ev): -19.8994 -19.8994 -19.8990 -19.8990 -6.6925 -6.6925 -6.6853 -6.6853 -4.8727 -4.8727 -4.8406 -4.8406 -4.6484 -4.6484 -4.6314 -4.6314 -1.8022 -1.8022 -1.7828 -1.7828 0.5352 0.5352 0.5773 0.5773 4.7023 4.7023 4.7179 4.7179 6.0191 6.0191 6.0883 6.0883 6.6130 6.6130 6.6474 6.6474 8.9294 8.9294 8.9562 8.9562 11.2069 11.2069 11.2332 11.2332 k = 0.5000 0.2288 1.0757 ( 4484 PWs) bands (ev): -19.8993 -19.8993 -19.8993 -19.8993 -6.6927 -6.6927 -6.6849 -6.6849 -4.8739 -4.8739 -4.8402 -4.8402 -4.6478 -4.6478 -4.6314 -4.6314 -1.7970 -1.7970 -1.7859 -1.7859 0.5563 0.5563 0.5621 0.5621 4.7068 4.7068 4.7158 4.7158 6.0270 6.0270 6.0839 6.0839 6.6089 6.6089 6.6438 6.6438 8.9367 8.9367 8.9474 8.9474 11.2008 11.2008 11.2015 11.2015 k = 0.5000 0.2288 1.0757 ( 4484 PWs) bands (ev): -19.8993 -19.8993 -19.8993 -19.8993 -6.6927 -6.6927 -6.6849 -6.6849 -4.8739 -4.8739 -4.8402 -4.8402 -4.6478 -4.6478 -4.6314 -4.6314 -1.7970 -1.7970 -1.7859 -1.7859 0.5563 0.5563 0.5621 0.5621 4.7068 4.7068 4.7158 4.7158 6.0270 6.0270 6.0839 6.0839 6.6089 6.6089 6.6438 6.6438 8.9367 8.9367 8.9474 8.9474 11.2008 11.2008 11.2015 11.2015 k = 0.5000 0.2288 1.0501 ( 4492 PWs) bands (ev): -19.8995 -19.8995 -19.8995 -19.8995 -6.6932 -6.6932 -6.6838 -6.6838 -4.8780 -4.8780 -4.8378 -4.8378 -4.6489 -4.6489 -4.6294 -4.6294 -1.7954 -1.7954 -1.7820 -1.7820 0.5642 0.5642 0.5711 0.5711 4.7088 4.7088 4.7194 4.7194 6.0241 6.0241 6.0904 6.0904 6.6022 6.6022 6.6419 6.6419 8.9258 8.9258 8.9392 8.9392 11.1614 11.1614 11.1633 11.1633 k = 0.5000 0.2288 1.0245 ( 4494 PWs) bands (ev): -19.8997 -19.8997 -19.8997 -19.8997 -6.6936 -6.6936 -6.6827 -6.6827 -4.8821 -4.8821 -4.8356 -4.8356 -4.6499 -4.6499 -4.6273 -4.6273 -1.7936 -1.7936 -1.7781 -1.7781 0.5740 0.5740 0.5819 0.5819 4.7110 4.7110 4.7230 4.7230 6.0215 6.0215 6.0958 6.0958 6.5969 6.5969 6.6401 6.6401 8.9148 8.9148 8.9311 8.9311 11.1145 11.1145 11.1181 11.1181 k = 0.5000 0.2288 0.9989 ( 4486 PWs) bands (ev): -19.8999 -19.8999 -19.8999 -19.8999 -6.6939 -6.6939 -6.6816 -6.6816 -4.8862 -4.8862 -4.8336 -4.8336 -4.6507 -4.6507 -4.6252 -4.6252 -1.7919 -1.7919 -1.7743 -1.7743 0.5859 0.5859 0.5947 0.5947 4.7128 4.7128 4.7261 4.7261 6.0191 6.0191 6.0999 6.0999 6.5940 6.5940 6.6390 6.6390 8.9043 8.9043 8.9238 8.9238 11.0599 11.0599 11.0660 11.0660 k = 0.5000 0.2288 0.9732 ( 4494 PWs) bands (ev): -19.9002 -19.9002 -19.9002 -19.9002 -6.6941 -6.6941 -6.6804 -6.6804 -4.8902 -4.8902 -4.8317 -4.8317 -4.6513 -4.6513 -4.6229 -4.6229 -1.7905 -1.7905 -1.7709 -1.7709 0.5999 0.5999 0.6096 0.6096 4.7141 4.7141 4.7285 4.7285 6.0170 6.0170 6.1023 6.1023 6.5940 6.5940 6.6390 6.6390 8.8947 8.8947 8.9177 8.9177 10.9980 10.9980 11.0071 11.0071 k = 0.5000 0.2288 0.9476 ( 4498 PWs) bands (ev): -19.9005 -19.9005 -19.9005 -19.9005 -6.6942 -6.6942 -6.6791 -6.6791 -4.8940 -4.8940 -4.8299 -4.8299 -4.6518 -4.6518 -4.6207 -4.6207 -1.7896 -1.7896 -1.7681 -1.7681 0.6164 0.6164 0.6269 0.6269 4.7147 4.7147 4.7299 4.7299 6.0152 6.0152 6.1030 6.1030 6.5978 6.5978 6.6407 6.6407 8.8860 8.8860 8.9129 8.9129 10.9290 10.9290 10.9417 10.9417 k = 0.5000 0.2288 0.9220 ( 4494 PWs) bands (ev): -19.9008 -19.9008 -19.9008 -19.9008 -6.6942 -6.6942 -6.6778 -6.6778 -4.8976 -4.8976 -4.8282 -4.8282 -4.6521 -4.6521 -4.6183 -4.6183 -1.7895 -1.7895 -1.7661 -1.7661 0.6353 0.6353 0.6465 0.6465 4.7141 4.7141 4.7300 4.7300 6.0137 6.0137 6.1022 6.1022 6.6054 6.6054 6.6445 6.6445 8.8785 8.8785 8.9096 8.9096 10.8538 10.8538 10.8705 10.8705 k = 0.5000 0.2288 0.8964 ( 4492 PWs) bands (ev): -19.9012 -19.9012 -19.9012 -19.9012 -6.6940 -6.6940 -6.6764 -6.6764 -4.9010 -4.9010 -4.8264 -4.8264 -4.6522 -4.6522 -4.6160 -4.6160 -1.7903 -1.7903 -1.7651 -1.7651 0.6568 0.6568 0.6687 0.6687 4.7123 4.7123 4.7287 4.7287 6.0128 6.0128 6.1002 6.1002 6.6172 6.6172 6.6506 6.6506 8.8719 8.8719 8.9075 8.9075 10.7736 10.7736 10.7947 10.7947 k = 0.5000 0.2288 0.8708 ( 4496 PWs) bands (ev): -19.9015 -19.9015 -19.9015 -19.9015 -6.6937 -6.6937 -6.6750 -6.6750 -4.9042 -4.9042 -4.8247 -4.8247 -4.6522 -4.6522 -4.6135 -4.6135 -1.7923 -1.7923 -1.7653 -1.7653 0.6809 0.6809 0.6934 0.6934 4.7089 4.7089 4.7256 4.7256 6.0126 6.0126 6.0977 6.0977 6.6327 6.6327 6.6595 6.6595 8.8656 8.8656 8.9062 8.9062 10.6898 10.6898 10.7155 10.7155 k = 0.5000 0.2288 0.8452 ( 4492 PWs) bands (ev): -19.9019 -19.9019 -19.9019 -19.9019 -6.6933 -6.6933 -6.6734 -6.6734 -4.9070 -4.9070 -4.8228 -4.8228 -4.6520 -4.6520 -4.6110 -4.6110 -1.7955 -1.7955 -1.7669 -1.7669 0.7079 0.7079 0.7209 0.7209 4.7039 4.7039 4.7209 4.7209 6.0136 6.0136 6.0954 6.0954 6.6518 6.6518 6.6710 6.6710 8.8591 8.8591 8.9047 8.9047 10.6046 10.6046 10.6347 10.6347 k = 0.5000 0.2288 0.8196 ( 4500 PWs) bands (ev): -19.9024 -19.9024 -19.9024 -19.9024 -6.6927 -6.6927 -6.6718 -6.6718 -4.9094 -4.9094 -4.8209 -4.8209 -4.6517 -4.6517 -4.6084 -4.6084 -1.8002 -1.8002 -1.7702 -1.7702 0.7376 0.7376 0.7510 0.7510 4.6972 4.6972 4.7143 4.7143 6.0160 6.0160 6.0941 6.0941 6.6739 6.6739 6.6851 6.6851 8.8513 8.8513 8.9021 8.9021 10.5200 10.5200 10.5543 10.5543 k = 0.5000 0.2288 0.7940 ( 4496 PWs) bands (ev): -19.9028 -19.9028 -19.9028 -19.9028 -6.6919 -6.6919 -6.6701 -6.6701 -4.9114 -4.9114 -4.8188 -4.8188 -4.6512 -4.6512 -4.6058 -4.6058 -1.8066 -1.8066 -1.7751 -1.7751 0.7701 0.7701 0.7839 0.7839 4.6890 4.6890 4.7060 4.7060 6.0201 6.0201 6.0944 6.0944 6.6985 6.6985 6.7018 6.7018 8.8411 8.8411 8.8968 8.8968 10.4385 10.4385 10.4767 10.4767 k = 0.5000 0.2288 0.7684 ( 4500 PWs) bands (ev): -19.9033 -19.9033 -19.9033 -19.9033 -6.6910 -6.6910 -6.6684 -6.6684 -4.9130 -4.9130 -4.8165 -4.8165 -4.6506 -4.6506 -4.6031 -4.6031 -1.8146 -1.8146 -1.7819 -1.7819 0.8053 0.8053 0.8194 0.8194 4.6792 4.6792 4.6963 4.6963 6.0261 6.0261 6.0969 6.0969 6.7209 6.7209 6.7250 6.7250 8.8268 8.8268 8.8871 8.8871 10.3626 10.3626 10.4039 10.4039 k = 0.5000 0.2288 0.7427 ( 4498 PWs) bands (ev): -19.9037 -19.9037 -19.9037 -19.9037 -6.6899 -6.6899 -6.6665 -6.6665 -4.9141 -4.9141 -4.8140 -4.8140 -4.6500 -4.6500 -4.6003 -4.6003 -1.8243 -1.8243 -1.7905 -1.7905 0.8431 0.8431 0.8574 0.8574 4.6682 4.6682 4.6854 4.6854 6.0342 6.0342 6.1019 6.1019 6.7421 6.7421 6.7530 6.7530 8.8070 8.8070 8.8710 8.8710 10.2950 10.2950 10.3384 10.3384 k = 0.5000 0.2288 0.7171 ( 4494 PWs) bands (ev): -19.9042 -19.9042 -19.9042 -19.9042 -6.6886 -6.6886 -6.6646 -6.6646 -4.9147 -4.9147 -4.8112 -4.8112 -4.6492 -4.6492 -4.5975 -4.5975 -1.8359 -1.8359 -1.8011 -1.8011 0.8833 0.8833 0.8978 0.8978 4.6564 4.6564 4.6736 4.6736 6.0444 6.0444 6.1096 6.1096 6.7651 6.7651 6.7819 6.7819 8.7801 8.7801 8.8465 8.8465 10.2380 10.2380 10.2820 10.2820 k = 0.5000 0.2288 0.6915 ( 4498 PWs) bands (ev): -19.9047 -19.9047 -19.9047 -19.9047 -6.6871 -6.6871 -6.6626 -6.6626 -4.9148 -4.9148 -4.8081 -4.8081 -4.6484 -4.6484 -4.5947 -4.5947 -1.8491 -1.8491 -1.8136 -1.8136 0.9258 0.9258 0.9405 0.9405 4.6442 4.6442 4.6614 4.6614 6.0567 6.0567 6.1201 6.1201 6.7897 6.7897 6.8113 6.8113 8.7448 8.7448 8.8122 8.8122 10.1932 10.1932 10.2364 10.2364 k = 0.5000 0.2288 0.6659 ( 4494 PWs) bands (ev): -19.9052 -19.9052 -19.9052 -19.9052 -6.6855 -6.6855 -6.6605 -6.6605 -4.9143 -4.9143 -4.8047 -4.8047 -4.6475 -4.6475 -4.5918 -4.5918 -1.8642 -1.8642 -1.8279 -1.8279 0.9704 0.9704 0.9851 0.9851 4.6320 4.6320 4.6494 4.6494 6.0710 6.0710 6.1333 6.1333 6.8157 6.8157 6.8409 6.8409 8.7005 8.7005 8.7670 8.7670 10.1616 10.1616 10.2021 10.2021 k = 0.5000 0.2288 0.6403 ( 4482 PWs) bands (ev): -19.9057 -19.9057 -19.9057 -19.9057 -6.6837 -6.6837 -6.6583 -6.6583 -4.9132 -4.9132 -4.8011 -4.8011 -4.6465 -4.6465 -4.5889 -4.5889 -1.8808 -1.8808 -1.8441 -1.8441 1.0167 1.0167 1.0314 1.0314 4.6205 4.6205 4.6380 4.6380 6.0869 6.0869 6.1490 6.1490 6.8428 6.8428 6.8702 6.8702 8.6472 8.6472 8.7109 8.7109 10.1428 10.1428 10.1789 10.1789 k = 0.5000 0.2288 0.6147 ( 4474 PWs) bands (ev): -19.9063 -19.9063 -19.9063 -19.9063 -6.6817 -6.6817 -6.6561 -6.6561 -4.9116 -4.9116 -4.7971 -4.7971 -4.6455 -4.6455 -4.5860 -4.5860 -1.8990 -1.8990 -1.8620 -1.8620 1.0645 1.0645 1.0792 1.0792 4.6100 4.6100 4.6277 4.6277 6.1042 6.1042 6.1668 6.1668 6.8707 6.8707 6.8991 6.8991 8.5856 8.5856 8.6451 8.6451 10.1352 10.1352 10.1655 10.1655 k = 0.5000 0.2288 0.5891 ( 4476 PWs) bands (ev): -19.9068 -19.9068 -19.9068 -19.9068 -6.6795 -6.6795 -6.6539 -6.6539 -4.9095 -4.9095 -4.7928 -4.7928 -4.6444 -4.6444 -4.5831 -4.5831 -1.9187 -1.9187 -1.8814 -1.8814 1.1134 1.1134 1.1281 1.1281 4.6012 4.6012 4.6191 4.6191 6.1224 6.1224 6.1861 6.1861 6.8992 6.8992 6.9270 6.9270 8.5171 8.5171 8.5710 8.5710 10.1360 10.1360 10.1595 10.1595 k = 0.5000 0.2288 0.5635 ( 4476 PWs) bands (ev): -19.9073 -19.9073 -19.9073 -19.9073 -6.6772 -6.6772 -6.6515 -6.6515 -4.9067 -4.9067 -4.7883 -4.7883 -4.6432 -4.6432 -4.5802 -4.5802 -1.9396 -1.9396 -1.9024 -1.9024 1.1632 1.1632 1.1777 1.1777 4.5945 4.5945 4.6126 4.6126 6.1412 6.1412 6.2066 6.2066 6.9279 6.9279 6.9537 6.9537 8.4436 8.4436 8.4909 8.4909 10.1416 10.1416 10.1577 10.1577 k = 0.5000 0.2288 0.5378 ( 4476 PWs) bands (ev): -19.9078 -19.9078 -19.9078 -19.9078 -6.6748 -6.6748 -6.6492 -6.6492 -4.9034 -4.9034 -4.7836 -4.7836 -4.6420 -4.6420 -4.5773 -4.5773 -1.9616 -1.9616 -1.9246 -1.9246 1.2134 1.2134 1.2278 1.2278 4.5905 4.5905 4.6088 4.6088 6.1602 6.1602 6.2275 6.2275 6.9564 6.9564 6.9787 6.9787 8.3673 8.3673 8.4071 8.4071 10.1480 10.1480 10.1562 10.1562 k = 0.5000 0.2288 0.5122 ( 4478 PWs) bands (ev): -19.9083 -19.9083 -19.9083 -19.9083 -6.6722 -6.6722 -6.6468 -6.6468 -4.8995 -4.8995 -4.7786 -4.7786 -4.6407 -4.6407 -4.5744 -4.5744 -1.9847 -1.9847 -1.9480 -1.9480 1.2638 1.2638 1.2779 1.2779 4.5895 4.5895 4.6078 4.6078 6.1787 6.1787 6.2483 6.2483 6.9840 6.9840 7.0012 7.0012 8.2906 8.2906 8.3223 8.3223 10.1508 10.1508 10.1509 10.1509 k = 0.5000 0.2288 0.4866 ( 4478 PWs) bands (ev): -19.9088 -19.9088 -19.9088 -19.9088 -6.6695 -6.6695 -6.6445 -6.6445 -4.8951 -4.8951 -4.7736 -4.7736 -4.6393 -4.6393 -4.5717 -4.5717 -2.0084 -2.0084 -1.9723 -1.9723 1.3138 1.3138 1.3277 1.3277 4.5919 4.5919 4.6103 4.6103 6.1965 6.1965 6.2682 6.2682 7.0095 7.0095 7.0204 7.0204 8.2164 8.2164 8.2391 8.2391 10.1387 10.1387 10.1462 10.1462 k = 0.5000 0.2288 0.4610 ( 4474 PWs) bands (ev): -19.9093 -19.9093 -19.9093 -19.9093 -6.6667 -6.6667 -6.6422 -6.6422 -4.8902 -4.8902 -4.7685 -4.7685 -4.6377 -4.6377 -4.5690 -4.5690 -2.0327 -2.0327 -1.9973 -1.9973 1.3633 1.3633 1.3769 1.3769 4.5980 4.5980 4.6162 4.6162 6.2131 6.2131 6.2867 6.2867 7.0315 7.0315 7.0347 7.0347 8.1476 8.1476 8.1607 8.1607 10.1178 10.1178 10.1321 10.1321 k = 0.5000 0.2288 0.4354 ( 4466 PWs) bands (ev): -19.9098 -19.9098 -19.9098 -19.9098 -6.6638 -6.6638 -6.6398 -6.6398 -4.8849 -4.8849 -4.7635 -4.7635 -4.6359 -4.6359 -4.5664 -4.5664 -2.0574 -2.0574 -2.0228 -2.0228 1.4118 1.4118 1.4251 1.4251 4.6080 4.6080 4.6260 4.6260 6.2282 6.2282 6.3032 6.3032 7.0423 7.0423 7.0475 7.0475 8.0877 8.0877 8.0906 8.0906 10.0889 10.0889 10.1086 10.1086 k = 0.5000 0.2288 0.4098 ( 4466 PWs) bands (ev): -19.9103 -19.9103 -19.9103 -19.9103 -6.6609 -6.6609 -6.6376 -6.6376 -4.8790 -4.8790 -4.7586 -4.7586 -4.6340 -4.6340 -4.5639 -4.5639 -2.0822 -2.0822 -2.0486 -2.0486 1.4590 1.4590 1.4719 1.4719 4.6221 4.6221 4.6397 4.6397 6.2415 6.2415 6.3171 6.3171 7.0408 7.0408 7.0548 7.0548 8.0329 8.0329 8.0403 8.0403 10.0538 10.0538 10.0775 10.0775 k = 0.5000 0.2288 0.3842 ( 4470 PWs) bands (ev): -19.9108 -19.9108 -19.9108 -19.9108 -6.6579 -6.6579 -6.6354 -6.6354 -4.8728 -4.8728 -4.7540 -4.7540 -4.6317 -4.6317 -4.5616 -4.5616 -2.1069 -2.1069 -2.0745 -2.0745 1.5046 1.5046 1.5171 1.5171 4.6404 4.6404 4.6575 4.6575 6.2529 6.2529 6.3281 6.3281 7.0282 7.0282 7.0500 7.0500 7.9917 7.9917 8.0085 8.0085 10.0149 10.0149 10.0411 10.0411 k = 0.5000 0.2288 0.3586 ( 4464 PWs) bands (ev): -19.9112 -19.9112 -19.9112 -19.9112 -6.6549 -6.6549 -6.6333 -6.6333 -4.8662 -4.8662 -4.7498 -4.7498 -4.6291 -4.6291 -4.5594 -4.5594 -2.1313 -2.1313 -2.1003 -2.1003 1.5483 1.5483 1.5603 1.5603 4.6628 4.6628 4.6791 4.6791 6.2623 6.2623 6.3359 6.3359 7.0029 7.0029 7.0306 7.0306 7.9702 7.9702 7.9949 7.9949 9.9741 9.9741 10.0017 10.0017 k = 0.5000 0.2288 0.3330 ( 4466 PWs) bands (ev): -19.9116 -19.9116 -19.9116 -19.9116 -6.6519 -6.6519 -6.6314 -6.6314 -4.8592 -4.8592 -4.7461 -4.7461 -4.6261 -4.6261 -4.5575 -4.5575 -2.1552 -2.1552 -2.1256 -2.1256 1.5898 1.5898 1.6014 1.6014 4.6893 4.6893 4.7047 4.7047 6.2698 6.2698 6.3405 6.3405 6.9651 6.9651 6.9957 6.9957 7.9700 7.9700 8.0002 8.0002 9.9328 9.9328 9.9610 9.9610 k = 0.5000 0.2288 0.3073 ( 4478 PWs) bands (ev): -19.9120 -19.9120 -19.9120 -19.9120 -6.6489 -6.6489 -6.6295 -6.6295 -4.8520 -4.8520 -4.7430 -4.7430 -4.6227 -4.6227 -4.5559 -4.5559 -2.1783 -2.1783 -2.1503 -2.1503 1.6290 1.6290 1.6400 1.6400 4.7197 4.7197 4.7339 4.7339 6.2755 6.2755 6.3419 6.3419 6.9160 6.9160 6.9465 6.9465 7.9902 7.9902 8.0234 8.0234 9.8918 9.8918 9.9200 9.9200 k = 0.5000 0.2288 0.2817 ( 4478 PWs) bands (ev): -19.9124 -19.9124 -19.9124 -19.9124 -6.6460 -6.6460 -6.6278 -6.6278 -4.8446 -4.8446 -4.7406 -4.7406 -4.6188 -4.6188 -4.5545 -4.5545 -2.2004 -2.2004 -2.1742 -2.1742 1.6656 1.6656 1.6760 1.6760 4.7536 4.7536 4.7665 4.7665 6.2797 6.2797 6.3401 6.3401 6.8583 6.8583 6.8860 6.8860 8.0282 8.0282 8.0624 8.0624 9.8517 9.8517 9.8792 9.8792 k = 0.5000 0.2288 0.2561 ( 4466 PWs) bands (ev): -19.9127 -19.9127 -19.9127 -19.9127 -6.6432 -6.6432 -6.6263 -6.6263 -4.8370 -4.8370 -4.7390 -4.7390 -4.6146 -4.6146 -4.5534 -4.5534 -2.2214 -2.2214 -2.1971 -2.1971 1.6995 1.6995 1.7092 1.7092 4.7907 4.7907 4.8021 4.8021 6.2826 6.2826 6.3356 6.3356 6.7948 6.7948 6.8174 6.8174 8.0808 8.0808 8.1147 8.1147 9.8125 9.8125 9.8391 9.8391 k = 0.5000 0.2288 0.2305 ( 4462 PWs) bands (ev): -19.9130 -19.9130 -19.9130 -19.9130 -6.6404 -6.6404 -6.6249 -6.6249 -4.8293 -4.8293 -4.7382 -4.7382 -4.6100 -4.6100 -4.5527 -4.5527 -2.2409 -2.2409 -2.2186 -2.2186 1.7305 1.7305 1.7395 1.7395 4.8303 4.8303 4.8402 4.8402 6.2846 6.2846 6.3283 6.3283 6.7282 6.7282 6.7440 6.7440 8.1448 8.1448 8.1776 8.1776 9.7741 9.7741 9.7995 9.7995 k = 0.5000 0.2288 0.2049 ( 4462 PWs) bands (ev): -19.9133 -19.9133 -19.9133 -19.9133 -6.6378 -6.6378 -6.6238 -6.6238 -4.8215 -4.8215 -4.7383 -4.7383 -4.6051 -4.6051 -4.5523 -4.5523 -2.2588 -2.2588 -2.2387 -2.2387 1.7585 1.7585 1.7667 1.7667 4.8719 4.8719 4.8800 4.8800 6.2859 6.2859 6.3187 6.3187 6.6613 6.6613 6.6687 6.6687 8.2173 8.2173 8.2487 8.2487 9.7362 9.7362 9.7603 9.7603 k = 0.5000 0.2288 0.1793 ( 4466 PWs) bands (ev): -19.9136 -19.9136 -19.9136 -19.9136 -6.6353 -6.6353 -6.6229 -6.6229 -4.8138 -4.8138 -4.7392 -4.7392 -4.5999 -4.5999 -4.5524 -4.5524 -2.2749 -2.2749 -2.2571 -2.2571 1.7834 1.7834 1.7908 1.7908 4.9144 4.9144 4.9207 4.9207 6.2869 6.2869 6.3068 6.3068 6.5939 6.5939 6.5965 6.5965 8.2958 8.2958 8.3254 8.3254 9.6985 9.6985 9.7211 9.7211 k = 0.5000 0.2288 0.1537 ( 4462 PWs) bands (ev): -19.9138 -19.9138 -19.9138 -19.9138 -6.6329 -6.6329 -6.6222 -6.6222 -4.8062 -4.8062 -4.7409 -4.7409 -4.5947 -4.5947 -4.5529 -4.5529 -2.2891 -2.2891 -2.2736 -2.2736 1.8052 1.8052 1.8117 1.8117 4.9567 4.9567 4.9613 4.9613 6.2878 6.2878 6.2929 6.2929 6.5217 6.5217 6.5360 6.5360 8.3776 8.3776 8.4052 8.4052 9.6607 9.6607 9.6817 9.6817 k = 0.5000 0.2288 0.1281 ( 4466 PWs) bands (ev): -19.9140 -19.9140 -19.9140 -19.9140 -6.6308 -6.6308 -6.6217 -6.6217 -4.7987 -4.7987 -4.7433 -4.7433 -4.5894 -4.5894 -4.5539 -4.5539 -2.3012 -2.3012 -2.2881 -2.2881 1.8238 1.8238 1.8293 1.8293 4.9974 4.9974 5.0004 5.0004 6.2772 6.2772 6.2887 6.2887 6.4546 6.4546 6.4821 6.4821 8.4600 8.4600 8.4853 8.4853 9.6227 9.6227 9.6419 9.6419 k = 0.5000 0.2288 0.1024 ( 4468 PWs) bands (ev): -19.9142 -19.9142 -19.9142 -19.9142 -6.6288 -6.6288 -6.6215 -6.6215 -4.7913 -4.7913 -4.7464 -4.7464 -4.5843 -4.5843 -4.5554 -4.5554 -2.3110 -2.3110 -2.3004 -2.3004 1.8392 1.8392 1.8437 1.8437 5.0348 5.0348 5.0365 5.0365 6.2604 6.2604 6.2889 6.2889 6.3956 6.3956 6.4365 6.4365 8.5398 8.5398 8.5622 8.5622 9.5850 9.5850 9.6022 9.6022 k = 0.5000 0.2288 0.0768 ( 4458 PWs) bands (ev): -19.9143 -19.9143 -19.9143 -19.9143 -6.6271 -6.6271 -6.6215 -6.6215 -4.7843 -4.7843 -4.7502 -4.7502 -4.5793 -4.5793 -4.5574 -4.5574 -2.3184 -2.3184 -2.3105 -2.3105 1.8514 1.8514 1.8547 1.8547 5.0670 5.0670 5.0677 5.0677 6.2443 6.2443 6.2850 6.2850 6.3503 6.3503 6.4001 6.4001 8.6127 8.6127 8.6314 8.6314 9.5495 9.5495 9.5640 9.5640 k = 0.5000 0.2288 0.0512 ( 4462 PWs) bands (ev): -19.9144 -19.9144 -19.9144 -19.9144 -6.6255 -6.6255 -6.6218 -6.6218 -4.7775 -4.7775 -4.7547 -4.7547 -4.5746 -4.5746 -4.5599 -4.5599 -2.3234 -2.3234 -2.3181 -2.3181 1.8602 1.8602 1.8625 1.8625 5.0919 5.0919 5.0921 5.0921 6.2318 6.2318 6.2691 6.2691 6.3292 6.3292 6.3723 6.3723 8.6735 8.6735 8.6872 8.6872 9.5194 9.5194 9.5302 9.5302 k = 0.5000 0.2288 0.0256 ( 4462 PWs) bands (ev): -19.9144 -19.9144 -19.9144 -19.9144 -6.6242 -6.6242 -6.6224 -6.6224 -4.7711 -4.7711 -4.7597 -4.7597 -4.5703 -4.5703 -4.5629 -4.5629 -2.3259 -2.3259 -2.3232 -2.3232 1.8658 1.8658 1.8669 1.8669 5.1077 5.1077 5.1078 5.1078 6.2266 6.2266 6.2468 6.2468 6.3289 6.3289 6.3519 6.3519 8.7156 8.7156 8.7230 8.7230 9.4994 9.4994 9.5053 9.5053 k = 0.5000 0.2288-0.0000 ( 4460 PWs) bands (ev): -19.9145 -19.9145 -19.9145 -19.9145 -6.6232 -6.6232 -6.6232 -6.6232 -4.7652 -4.7652 -4.7652 -4.7652 -4.5663 -4.5663 -4.5663 -4.5663 -2.3258 -2.3258 -2.3258 -2.3258 1.8680 1.8680 1.8680 1.8680 5.1132 5.1132 5.1132 5.1132 6.2313 6.2313 6.2313 6.2313 6.3375 6.3375 6.3375 6.3375 8.7332 8.7332 8.7332 8.7332 9.4942 9.4942 9.4942 9.4942 k = 0.0000 0.0000 1.2015 ( 4484 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6894 -6.6894 -6.6894 -6.6894 -4.8549 -4.8549 -4.8549 -4.8549 -4.6406 -4.6406 -4.6406 -4.6406 -1.7989 -1.7989 -1.7989 -1.7989 0.5414 0.5414 0.5414 0.5414 4.7031 4.7031 4.7031 4.7031 6.0494 6.0494 6.0494 6.0494 6.6409 6.6409 6.6409 6.6409 8.9696 8.9696 8.9696 8.9696 11.2874 11.2874 11.2874 11.2874 k = 0.0227 0.0104 1.2015 ( 4474 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6898 -6.6898 -6.6891 -6.6891 -4.8598 -4.8598 -4.8498 -4.8498 -4.6451 -4.6451 -4.6364 -4.6364 -1.8012 -1.8012 -1.7966 -1.7966 0.5377 0.5377 0.5451 0.5451 4.6989 4.6989 4.7073 4.7073 6.0434 6.0434 6.0533 6.0533 6.6385 6.6385 6.6475 6.6475 8.9627 8.9627 8.9690 8.9690 11.2935 11.2935 11.2953 11.2953 k = 0.0455 0.0208 1.2015 ( 4482 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6901 -6.6901 -6.6887 -6.6887 -4.8644 -4.8644 -4.8445 -4.8445 -4.6497 -4.6497 -4.6325 -4.6325 -1.8035 -1.8035 -1.7943 -1.7943 0.5341 0.5341 0.5486 0.5486 4.6948 4.6948 4.7115 4.7115 6.0355 6.0355 6.0550 6.0550 6.6404 6.6404 6.6580 6.6580 8.9487 8.9487 8.9611 8.9611 11.3134 11.3134 11.3167 11.3167 k = 0.0682 0.0312 1.2015 ( 4498 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6905 -6.6905 -6.6884 -6.6884 -4.8687 -4.8687 -4.8392 -4.8392 -4.6543 -4.6543 -4.6289 -4.6289 -1.8056 -1.8056 -1.7921 -1.7921 0.5306 0.5306 0.5520 0.5520 4.6909 4.6909 4.7155 4.7155 6.0263 6.0263 6.0545 6.0545 6.6461 6.6461 6.6717 6.6717 8.9288 8.9288 8.9470 8.9470 11.3454 11.3454 11.3500 11.3500 k = 0.0909 0.0416 1.2015 ( 4498 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6908 -6.6908 -6.6881 -6.6881 -4.8726 -4.8726 -4.8339 -4.8339 -4.6590 -4.6590 -4.6256 -4.6256 -1.8076 -1.8076 -1.7900 -1.7900 0.5273 0.5273 0.5552 0.5552 4.6873 4.6873 4.7193 4.7193 6.0163 6.0163 6.0523 6.0523 6.6549 6.6549 6.6876 6.6876 8.9045 8.9045 8.9281 8.9281 11.3870 11.3870 11.3926 11.3926 k = 0.1136 0.0520 1.2015 ( 4498 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6911 -6.6911 -6.6878 -6.6878 -4.8760 -4.8760 -4.8289 -4.8289 -4.6635 -4.6635 -4.6228 -4.6228 -1.8094 -1.8094 -1.7881 -1.7881 0.5243 0.5243 0.5581 0.5581 4.6840 4.6840 4.7228 4.7228 6.0063 6.0063 6.0490 6.0490 6.6658 6.6658 6.7047 6.7047 8.8777 8.8777 8.9063 8.9063 11.4350 11.4350 11.4411 11.4411 k = 0.1364 0.0624 1.2015 ( 4484 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6913 -6.6913 -6.6875 -6.6875 -4.8789 -4.8789 -4.8241 -4.8241 -4.6678 -4.6678 -4.6203 -4.6203 -1.8110 -1.8110 -1.7864 -1.7864 0.5216 0.5216 0.5606 0.5606 4.6811 4.6811 4.7259 4.7259 5.9967 5.9967 6.0450 6.0450 6.6777 6.6777 6.7218 6.7218 8.8506 8.8506 8.8836 8.8836 11.4854 11.4854 11.4914 11.4914 k = 0.1591 0.0728 1.2015 ( 4488 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6915 -6.6915 -6.6873 -6.6873 -4.8814 -4.8814 -4.8199 -4.8199 -4.6717 -4.6717 -4.6183 -4.6183 -1.8123 -1.8123 -1.7849 -1.7849 0.5193 0.5193 0.5627 0.5627 4.6787 4.6787 4.7286 4.7286 5.9882 5.9882 6.0410 6.0410 6.6894 6.6894 6.7378 6.7378 8.8251 8.8251 8.8618 8.8618 11.5339 11.5339 11.5393 11.5393 k = 0.1818 0.0832 1.2015 ( 4482 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6917 -6.6917 -6.6871 -6.6871 -4.8833 -4.8833 -4.8163 -4.8163 -4.6749 -4.6749 -4.6167 -4.6167 -1.8133 -1.8133 -1.7837 -1.7837 0.5175 0.5175 0.5644 0.5644 4.6767 4.6767 4.7307 4.7307 5.9812 5.9812 6.0373 6.0373 6.6998 6.6998 6.7515 6.7515 8.8032 8.8032 8.8429 8.8429 11.5762 11.5762 11.5807 11.5807 k = 0.2045 0.0936 1.2015 ( 4482 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6918 -6.6918 -6.6870 -6.6870 -4.8847 -4.8847 -4.8136 -4.8136 -4.6774 -4.6774 -4.6156 -4.6156 -1.8141 -1.8141 -1.7829 -1.7829 0.5161 0.5161 0.5657 0.5657 4.6753 4.6753 4.7323 4.7323 5.9759 5.9759 6.0344 6.0344 6.7079 6.7079 6.7621 6.7621 8.7863 8.7863 8.8282 8.8282 11.6087 11.6087 11.6123 11.6123 k = 0.2273 0.1040 1.2015 ( 4482 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6919 -6.6919 -6.6869 -6.6869 -4.8856 -4.8856 -4.8119 -4.8119 -4.6790 -4.6790 -4.6149 -4.6149 -1.8146 -1.8146 -1.7824 -1.7824 0.5153 0.5153 0.5664 0.5664 4.6744 4.6744 4.7332 4.7332 5.9726 5.9726 6.0326 6.0326 6.7131 6.7131 6.7687 6.7687 8.7757 8.7757 8.8189 8.8189 11.6291 11.6291 11.6320 11.6320 k = 0.2500 0.1144 1.2015 ( 4472 PWs) bands (ev): -19.8989 -19.8989 -19.8989 -19.8989 -6.6919 -6.6919 -6.6869 -6.6869 -4.8858 -4.8858 -4.8113 -4.8113 -4.6795 -4.6795 -4.6147 -4.6147 -1.8147 -1.8147 -1.7822 -1.7822 0.5150 0.5150 0.5667 0.5667 4.6742 4.6742 4.7336 4.7336 5.9715 5.9715 6.0319 6.0319 6.7149 6.7149 6.7710 6.7710 8.7720 8.7720 8.8157 8.8157 11.6361 11.6361 11.6387 11.6387 Writing output data file BaGe2.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 175.41s CPU 177.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 175.40s CPU 177.52s 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 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 292 calls) cegterg : 159.54s CPU 161.19s WALL ( 332 calls) Called by sum_band: Called by *egterg: h_psi : 124.17s CPU 125.42s WALL ( 5973 calls) s_psi : 2.90s CPU 3.04s WALL ( 5973 calls) g_psi : 0.17s CPU 0.18s WALL ( 5349 calls) cdiaghg : 35.25s CPU 35.79s WALL ( 5641 calls) cegterg:over : 4.22s CPU 4.08s WALL ( 5349 calls) cegterg:upda : 3.64s CPU 3.72s WALL ( 5349 calls) cegterg:last : 1.73s CPU 1.69s WALL ( 953 calls) cdiaghg:chol : 1.93s CPU 2.03s WALL ( 5641 calls) cdiaghg:inve : 1.19s CPU 1.24s WALL ( 5641 calls) cdiaghg:para : 2.02s CPU 2.09s WALL ( 11282 calls) Called by h_psi: h_psi:vloc : 116.90s CPU 118.13s WALL ( 5973 calls) h_psi:vnl : 7.12s CPU 7.13s WALL ( 5973 calls) add_vuspsi : 3.34s CPU 3.54s WALL ( 5973 calls) General routines calbec : 3.77s CPU 3.57s WALL ( 5973 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 110.52s CPU 111.70s WALL ( 569232 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 584 calls) Parallel routines fft_scatter : 31.15s CPU 31.85s WALL ( 569255 calls) PWSCF : 3m 8.38s CPU 3m23.07s WALL This run was terminated on: 14: 0:48 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=