Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:32:21 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: ./CaxZnSix2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 45 13 1339 723 116 Max 69 46 14 1341 737 118 Sum 2457 1631 479 48221 26171 4207 bravais-lattice index = 14 lattice parameter (alat) = 11.4434 a.u. unit-cell volume = 621.4193 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.443365 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.762558 celldm(5)= -0.762558 celldm(6)= 0.525117 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.525117 0.851030 0.000000 ) a(3) = ( -0.762558 -0.425515 0.487280 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.617036 1.026104 ) b(2) = ( 0.000000 1.175046 1.026104 ) b(3) = ( 0.000000 0.000000 2.052209 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0000000 0.0190019), wk = 0.0029070 k( 3) = ( 0.0000000 0.0000000 0.0380039), wk = 0.0029070 k( 4) = ( 0.0000000 0.0000000 0.0570058), wk = 0.0029070 k( 5) = ( 0.0000000 0.0000000 0.0760077), wk = 0.0029070 k( 6) = ( 0.0000000 0.0000000 0.0950097), wk = 0.0029070 k( 7) = ( 0.0000000 0.0000000 0.1140116), wk = 0.0029070 k( 8) = ( 0.0000000 0.0000000 0.1330135), wk = 0.0029070 k( 9) = ( 0.0000000 0.0000000 0.1520155), wk = 0.0029070 k( 10) = ( 0.0000000 0.0000000 0.1710174), wk = 0.0029070 k( 11) = ( 0.0000000 0.0000000 0.1900193), wk = 0.0029070 k( 12) = ( 0.0000000 0.0000000 0.2090213), wk = 0.0029070 k( 13) = ( 0.0000000 0.0000000 0.2280232), wk = 0.0029070 k( 14) = ( 0.0000000 0.0000000 0.2470251), wk = 0.0029070 k( 15) = ( 0.0000000 0.0000000 0.2660271), wk = 0.0029070 k( 16) = ( 0.0000000 0.0000000 0.2850290), wk = 0.0029070 k( 17) = ( 0.0000000 0.0000000 0.3040309), wk = 0.0029070 k( 18) = ( 0.0000000 0.0000000 0.3230329), wk = 0.0029070 k( 19) = ( 0.0000000 0.0000000 0.3420348), wk = 0.0029070 k( 20) = ( 0.0000000 0.0000000 0.3610367), wk = 0.0029070 k( 21) = ( 0.0000000 0.0000000 0.3800387), wk = 0.0029070 k( 22) = ( 0.0000000 0.0000000 0.3990406), wk = 0.0029070 k( 23) = ( 0.0000000 0.0000000 0.4180425), wk = 0.0029070 k( 24) = ( 0.0000000 0.0000000 0.4370444), wk = 0.0029070 k( 25) = ( 0.0000000 0.0000000 0.4560464), wk = 0.0029070 k( 26) = ( 0.0000000 0.0000000 0.4750483), wk = 0.0029070 k( 27) = ( 0.0000000 0.0000000 0.4940502), wk = 0.0029070 k( 28) = ( 0.0000000 0.0000000 0.5130522), wk = 0.0029070 k( 29) = ( 0.0000000 0.0000000 0.5320541), wk = 0.0029070 k( 30) = ( 0.0000000 0.0000000 0.5510560), wk = 0.0029070 k( 31) = ( 0.0000000 0.0000000 0.5700580), wk = 0.0029070 k( 32) = ( 0.0000000 0.0000000 0.5890599), wk = 0.0029070 k( 33) = ( 0.0000000 0.0000000 0.6080618), wk = 0.0029070 k( 34) = ( 0.0000000 0.0000000 0.6270638), wk = 0.0029070 k( 35) = ( 0.0000000 0.0000000 0.6460657), wk = 0.0029070 k( 36) = ( 0.0000000 0.0000000 0.6650676), wk = 0.0029070 k( 37) = ( 0.0000000 0.0000000 0.6840696), wk = 0.0029070 k( 38) = ( 0.0000000 0.0000000 0.7030715), wk = 0.0029070 k( 39) = ( 0.0000000 0.0000000 0.7220734), wk = 0.0029070 k( 40) = ( 0.0000000 0.0000000 0.7410754), wk = 0.0029070 k( 41) = ( 0.0000000 0.0000000 0.7600773), wk = 0.0029070 k( 42) = ( 0.0000000 0.0000000 0.7790792), wk = 0.0029070 k( 43) = ( 0.0000000 0.0000000 0.7980812), wk = 0.0029070 k( 44) = ( 0.0000000 0.0000000 0.8170831), wk = 0.0029070 k( 45) = ( 0.0000000 0.0000000 0.8360850), wk = 0.0029070 k( 46) = ( 0.0000000 0.0000000 0.8550870), wk = 0.0029070 k( 47) = ( 0.0000000 0.0000000 0.8740889), wk = 0.0029070 k( 48) = ( 0.0000000 0.0000000 0.8930908), wk = 0.0029070 k( 49) = ( 0.0000000 0.0000000 0.9120928), wk = 0.0029070 k( 50) = ( 0.0000000 0.0000000 0.9310947), wk = 0.0029070 k( 51) = ( 0.0000000 0.0000000 0.9500966), wk = 0.0029070 k( 52) = ( 0.0000000 0.0000000 0.9690986), wk = 0.0029070 k( 53) = ( 0.0000000 0.0000000 0.9881005), wk = 0.0029070 k( 54) = ( 0.0000000 0.0000000 1.0071024), wk = 0.0029070 k( 55) = ( 0.0000000 0.0000000 1.0261044), wk = 0.0029070 k( 56) = ( 0.0000000 0.0000000 1.0261044), wk = 0.0029070 k( 57) = ( -0.0086493 0.0155003 1.0261044), wk = 0.0029070 k( 58) = ( -0.0172986 0.0310006 1.0261044), wk = 0.0029070 k( 59) = ( -0.0259479 0.0465008 1.0261044), wk = 0.0029070 k( 60) = ( -0.0345972 0.0620011 1.0261044), wk = 0.0029070 k( 61) = ( -0.0432465 0.0775014 1.0261044), wk = 0.0029070 k( 62) = ( -0.0518959 0.0930017 1.0261044), wk = 0.0029070 k( 63) = ( -0.0605452 0.1085019 1.0261044), wk = 0.0029070 k( 64) = ( -0.0691945 0.1240022 1.0261044), wk = 0.0029070 k( 65) = ( -0.0778438 0.1395025 1.0261044), wk = 0.0029070 k( 66) = ( -0.0778438 0.1395025 1.0261044), wk = 0.0029070 k( 67) = ( -0.0844400 0.1513234 1.0125676), wk = 0.0029070 k( 68) = ( -0.0910362 0.1631443 0.9990308), wk = 0.0029070 k( 69) = ( -0.0976324 0.1749653 0.9854941), wk = 0.0029070 k( 70) = ( -0.1042285 0.1867862 0.9719573), wk = 0.0029070 k( 71) = ( -0.1108247 0.1986071 0.9584205), wk = 0.0029070 k( 72) = ( -0.1174209 0.2104280 0.9448838), wk = 0.0029070 k( 73) = ( -0.1240171 0.2222489 0.9313470), wk = 0.0029070 k( 74) = ( -0.1306133 0.2340698 0.9178103), wk = 0.0029070 k( 75) = ( -0.1372095 0.2458908 0.9042735), wk = 0.0029070 k( 76) = ( -0.1438057 0.2577117 0.8907367), wk = 0.0029070 k( 77) = ( -0.1504019 0.2695326 0.8772000), wk = 0.0029070 k( 78) = ( -0.1569981 0.2813535 0.8636632), wk = 0.0029070 k( 79) = ( -0.1635943 0.2931745 0.8501265), wk = 0.0029070 k( 80) = ( -0.1701904 0.3049954 0.8365897), wk = 0.0029070 k( 81) = ( -0.1767866 0.3168163 0.8230529), wk = 0.0029070 k( 82) = ( -0.1833828 0.3286372 0.8095162), wk = 0.0029070 k( 83) = ( -0.1899790 0.3404581 0.7959794), wk = 0.0029070 k( 84) = ( -0.1965752 0.3522790 0.7824427), wk = 0.0029070 k( 85) = ( -0.2031714 0.3641000 0.7689059), wk = 0.0029070 k( 86) = ( -0.2097676 0.3759209 0.7553691), wk = 0.0029070 k( 87) = ( -0.2163638 0.3877418 0.7418324), wk = 0.0029070 k( 88) = ( -0.2229600 0.3995627 0.7282956), wk = 0.0029070 k( 89) = ( -0.2295562 0.4113837 0.7147589), wk = 0.0029070 k( 90) = ( -0.2361524 0.4232046 0.7012221), wk = 0.0029070 k( 91) = ( -0.2427486 0.4350255 0.6876853), wk = 0.0029070 k( 92) = ( -0.2493447 0.4468464 0.6741486), wk = 0.0029070 k( 93) = ( -0.2559409 0.4586673 0.6606118), wk = 0.0029070 k( 94) = ( -0.2625371 0.4704882 0.6470751), wk = 0.0029070 k( 95) = ( -0.2691333 0.4823092 0.6335383), wk = 0.0029070 k( 96) = ( -0.2757295 0.4941301 0.6200015), wk = 0.0029070 k( 97) = ( -0.2823257 0.5059510 0.6064648), wk = 0.0029070 k( 98) = ( -0.2889219 0.5177719 0.5929280), wk = 0.0029070 k( 99) = ( -0.2889219 0.5177719 0.5929280), wk = 0.0029070 k( 100) = ( -0.2823555 0.5060044 0.5794524), wk = 0.0029070 k( 101) = ( -0.2757891 0.4942368 0.5659767), wk = 0.0029070 k( 102) = ( -0.2692227 0.4824693 0.5525011), wk = 0.0029070 k( 103) = ( -0.2626563 0.4707018 0.5390255), wk = 0.0029070 k( 104) = ( -0.2560899 0.4589342 0.5255498), wk = 0.0029070 k( 105) = ( -0.2495235 0.4471667 0.5120742), wk = 0.0029070 k( 106) = ( -0.2429570 0.4353991 0.4985986), wk = 0.0029070 k( 107) = ( -0.2363906 0.4236316 0.4851229), wk = 0.0029070 k( 108) = ( -0.2298242 0.4118640 0.4716473), wk = 0.0029070 k( 109) = ( -0.2232578 0.4000965 0.4581716), wk = 0.0029070 k( 110) = ( -0.2166914 0.3883290 0.4446960), wk = 0.0029070 k( 111) = ( -0.2101250 0.3765614 0.4312204), wk = 0.0029070 k( 112) = ( -0.2035586 0.3647939 0.4177447), wk = 0.0029070 k( 113) = ( -0.1969922 0.3530263 0.4042691), wk = 0.0029070 k( 114) = ( -0.1904258 0.3412588 0.3907935), wk = 0.0029070 k( 115) = ( -0.1838594 0.3294912 0.3773178), wk = 0.0029070 k( 116) = ( -0.1772930 0.3177237 0.3638422), wk = 0.0029070 k( 117) = ( -0.1707266 0.3059561 0.3503666), wk = 0.0029070 k( 118) = ( -0.1641602 0.2941886 0.3368909), wk = 0.0029070 k( 119) = ( -0.1575938 0.2824211 0.3234153), wk = 0.0029070 k( 120) = ( -0.1510274 0.2706535 0.3099396), wk = 0.0029070 k( 121) = ( -0.1444609 0.2588860 0.2964640), wk = 0.0029070 k( 122) = ( -0.1378945 0.2471184 0.2829884), wk = 0.0029070 k( 123) = ( -0.1313281 0.2353509 0.2695127), wk = 0.0029070 k( 124) = ( -0.1247617 0.2235833 0.2560371), wk = 0.0029070 k( 125) = ( -0.1181953 0.2118158 0.2425615), wk = 0.0029070 k( 126) = ( -0.1116289 0.2000482 0.2290858), wk = 0.0029070 k( 127) = ( -0.1050625 0.1882807 0.2156102), wk = 0.0029070 k( 128) = ( -0.0984961 0.1765132 0.2021346), wk = 0.0029070 k( 129) = ( -0.0919297 0.1647456 0.1886589), wk = 0.0029070 k( 130) = ( -0.0853633 0.1529781 0.1751833), wk = 0.0029070 k( 131) = ( -0.0787969 0.1412105 0.1617076), wk = 0.0029070 k( 132) = ( -0.0722305 0.1294430 0.1482320), wk = 0.0029070 k( 133) = ( -0.0656641 0.1176754 0.1347564), wk = 0.0029070 k( 134) = ( -0.0590977 0.1059079 0.1212807), wk = 0.0029070 k( 135) = ( -0.0525313 0.0941403 0.1078051), wk = 0.0029070 k( 136) = ( -0.0459649 0.0823728 0.0943295), wk = 0.0029070 k( 137) = ( -0.0393984 0.0706053 0.0808538), wk = 0.0029070 k( 138) = ( -0.0328320 0.0588377 0.0673782), wk = 0.0029070 k( 139) = ( -0.0262656 0.0470702 0.0539026), wk = 0.0029070 k( 140) = ( -0.0196992 0.0353026 0.0404269), wk = 0.0029070 k( 141) = ( -0.0131328 0.0235351 0.0269513), wk = 0.0029070 k( 142) = ( -0.0065664 0.0117676 0.0134756), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 145) = ( 0.0166667 0.0093002 0.0000000), wk = 0.0029070 k( 146) = ( 0.0333333 0.0186003 0.0000000), wk = 0.0029070 k( 147) = ( 0.0500000 0.0279005 0.0000000), wk = 0.0029070 k( 148) = ( 0.0666667 0.0372007 0.0000000), wk = 0.0029070 k( 149) = ( 0.0833333 0.0465008 0.0000000), wk = 0.0029070 k( 150) = ( 0.1000000 0.0558010 0.0000000), wk = 0.0029070 k( 151) = ( 0.1166667 0.0651012 0.0000000), wk = 0.0029070 k( 152) = ( 0.1333333 0.0744013 0.0000000), wk = 0.0029070 k( 153) = ( 0.1500000 0.0837015 0.0000000), wk = 0.0029070 k( 154) = ( 0.1666667 0.0930017 0.0000000), wk = 0.0029070 k( 155) = ( 0.1833333 0.1023018 0.0000000), wk = 0.0029070 k( 156) = ( 0.2000000 0.1116020 0.0000000), wk = 0.0029070 k( 157) = ( 0.2166667 0.1209022 0.0000000), wk = 0.0029070 k( 158) = ( 0.2333333 0.1302023 0.0000000), wk = 0.0029070 k( 159) = ( 0.2500000 0.1395025 0.0000000), wk = 0.0029070 k( 160) = ( 0.2666667 0.1488027 0.0000000), wk = 0.0029070 k( 161) = ( 0.2833333 0.1581028 0.0000000), wk = 0.0029070 k( 162) = ( 0.3000000 0.1674030 0.0000000), wk = 0.0029070 k( 163) = ( 0.3166667 0.1767032 0.0000000), wk = 0.0029070 k( 164) = ( 0.3333333 0.1860033 0.0000000), wk = 0.0029070 k( 165) = ( 0.3500000 0.1953035 0.0000000), wk = 0.0029070 k( 166) = ( 0.3666667 0.2046036 0.0000000), wk = 0.0029070 k( 167) = ( 0.3833333 0.2139038 0.0000000), wk = 0.0029070 k( 168) = ( 0.4000000 0.2232040 0.0000000), wk = 0.0029070 k( 169) = ( 0.4166667 0.2325041 0.0000000), wk = 0.0029070 k( 170) = ( 0.4333333 0.2418043 0.0000000), wk = 0.0029070 k( 171) = ( 0.4500000 0.2511045 0.0000000), wk = 0.0029070 k( 172) = ( 0.4666667 0.2604046 0.0000000), wk = 0.0029070 k( 173) = ( 0.4833333 0.2697048 0.0000000), wk = 0.0029070 k( 174) = ( 0.5000000 0.2790050 0.0000000), wk = 0.0029070 k( 175) = ( 0.5000000 0.2790050 0.0000000), wk = 0.0029070 k( 176) = ( 0.4934038 0.2908259 0.0135368), wk = 0.0029070 k( 177) = ( 0.4868076 0.3026468 0.0270735), wk = 0.0029070 k( 178) = ( 0.4802114 0.3144677 0.0406103), wk = 0.0029070 k( 179) = ( 0.4736152 0.3262886 0.0541470), wk = 0.0029070 k( 180) = ( 0.4670190 0.3381096 0.0676838), wk = 0.0029070 k( 181) = ( 0.4604228 0.3499305 0.0812206), wk = 0.0029070 k( 182) = ( 0.4538267 0.3617514 0.0947573), wk = 0.0029070 k( 183) = ( 0.4472305 0.3735723 0.1082941), wk = 0.0029070 k( 184) = ( 0.4406343 0.3853933 0.1218308), wk = 0.0029070 k( 185) = ( 0.4340381 0.3972142 0.1353676), wk = 0.0029070 k( 186) = ( 0.4274419 0.4090351 0.1489044), wk = 0.0029070 k( 187) = ( 0.4208457 0.4208560 0.1624411), wk = 0.0029070 k( 188) = ( 0.4142495 0.4326769 0.1759779), wk = 0.0029070 k( 189) = ( 0.4076533 0.4444978 0.1895146), wk = 0.0029070 k( 190) = ( 0.4010571 0.4563188 0.2030514), wk = 0.0029070 k( 191) = ( 0.3944609 0.4681397 0.2165882), wk = 0.0029070 k( 192) = ( 0.3878647 0.4799606 0.2301249), wk = 0.0029070 k( 193) = ( 0.3812686 0.4917815 0.2436617), wk = 0.0029070 k( 194) = ( 0.3746724 0.5036025 0.2571985), wk = 0.0029070 k( 195) = ( 0.3680762 0.5154234 0.2707352), wk = 0.0029070 k( 196) = ( 0.3614800 0.5272443 0.2842720), wk = 0.0029070 k( 197) = ( 0.3548838 0.5390652 0.2978087), wk = 0.0029070 k( 198) = ( 0.3482876 0.5508861 0.3113455), wk = 0.0029070 k( 199) = ( 0.3416914 0.5627070 0.3248822), wk = 0.0029070 k( 200) = ( 0.3350952 0.5745280 0.3384190), wk = 0.0029070 k( 201) = ( 0.3284990 0.5863489 0.3519558), wk = 0.0029070 k( 202) = ( 0.3219028 0.5981698 0.3654925), wk = 0.0029070 k( 203) = ( 0.3153067 0.6099907 0.3790293), wk = 0.0029070 k( 204) = ( 0.3087105 0.6218117 0.3925661), wk = 0.0029070 k( 205) = ( 0.3021143 0.6336326 0.4061028), wk = 0.0029070 k( 206) = ( 0.2955181 0.6454535 0.4196396), wk = 0.0029070 k( 207) = ( 0.2889219 0.6572744 0.4331763), wk = 0.0029070 k( 208) = ( 0.2889219 0.6572744 0.4331763), wk = 0.0029070 k( 209) = ( 0.2708643 0.6529150 0.4381686), wk = 0.0029070 k( 210) = ( 0.2528067 0.6485555 0.4431608), wk = 0.0029070 k( 211) = ( 0.2347490 0.6441961 0.4481531), wk = 0.0029070 k( 212) = ( 0.2166914 0.6398366 0.4531453), wk = 0.0029070 k( 213) = ( 0.1986338 0.6354771 0.4581375), wk = 0.0029070 k( 214) = ( 0.1805762 0.6311177 0.4631298), wk = 0.0029070 k( 215) = ( 0.1625186 0.6267583 0.4681220), wk = 0.0029070 k( 216) = ( 0.1444609 0.6223988 0.4731143), wk = 0.0029070 k( 217) = ( 0.1264033 0.6180393 0.4781065), wk = 0.0029070 k( 218) = ( 0.1083457 0.6136799 0.4830987), wk = 0.0029070 k( 219) = ( 0.0902881 0.6093204 0.4880910), wk = 0.0029070 k( 220) = ( 0.0722305 0.6049610 0.4930832), wk = 0.0029070 k( 221) = ( 0.0541729 0.6006015 0.4980755), wk = 0.0029070 k( 222) = ( 0.0361152 0.5962421 0.5030677), wk = 0.0029070 k( 223) = ( 0.0180576 0.5918826 0.5080599), wk = 0.0029070 k( 224) = ( 0.0000000 0.5875232 0.5130522), wk = 0.0029070 k( 225) = ( 0.0000000 0.5875232 0.5130522), wk = 0.0029070 k( 226) = ( 0.0065790 0.5757332 0.5265536), wk = 0.0029070 k( 227) = ( 0.0131579 0.5639431 0.5400549), wk = 0.0029070 k( 228) = ( 0.0197368 0.5521531 0.5535563), wk = 0.0029070 k( 229) = ( 0.0263158 0.5403631 0.5670577), wk = 0.0029070 k( 230) = ( 0.0328947 0.5285731 0.5805590), wk = 0.0029070 k( 231) = ( 0.0394737 0.5167831 0.5940604), wk = 0.0029070 k( 232) = ( 0.0460526 0.5049931 0.6075618), wk = 0.0029070 k( 233) = ( 0.0526316 0.4932030 0.6210632), wk = 0.0029070 k( 234) = ( 0.0592105 0.4814130 0.6345645), wk = 0.0029070 k( 235) = ( 0.0657895 0.4696230 0.6480659), wk = 0.0029070 k( 236) = ( 0.0723684 0.4578330 0.6615673), wk = 0.0029070 k( 237) = ( 0.0789474 0.4460430 0.6750687), wk = 0.0029070 k( 238) = ( 0.0855263 0.4342529 0.6885700), wk = 0.0029070 k( 239) = ( 0.0921053 0.4224629 0.7020714), wk = 0.0029070 k( 240) = ( 0.0986842 0.4106729 0.7155728), wk = 0.0029070 k( 241) = ( 0.1052632 0.3988829 0.7290742), wk = 0.0029070 k( 242) = ( 0.1118421 0.3870929 0.7425755), wk = 0.0029070 k( 243) = ( 0.1184210 0.3753029 0.7560769), wk = 0.0029070 k( 244) = ( 0.1250000 0.3635128 0.7695783), wk = 0.0029070 k( 245) = ( 0.1315790 0.3517228 0.7830796), wk = 0.0029070 k( 246) = ( 0.1381579 0.3399328 0.7965810), wk = 0.0029070 k( 247) = ( 0.1447368 0.3281428 0.8100824), wk = 0.0029070 k( 248) = ( 0.1513158 0.3163528 0.8235838), wk = 0.0029070 k( 249) = ( 0.1578947 0.3045627 0.8370851), wk = 0.0029070 k( 250) = ( 0.1644737 0.2927727 0.8505865), wk = 0.0029070 k( 251) = ( 0.1710526 0.2809827 0.8640879), wk = 0.0029070 k( 252) = ( 0.1776316 0.2691927 0.8775893), wk = 0.0029070 k( 253) = ( 0.1842105 0.2574027 0.8910906), wk = 0.0029070 k( 254) = ( 0.1907895 0.2456127 0.9045920), wk = 0.0029070 k( 255) = ( 0.1973684 0.2338226 0.9180934), wk = 0.0029070 k( 256) = ( 0.2039474 0.2220326 0.9315947), wk = 0.0029070 k( 257) = ( 0.2105263 0.2102426 0.9450961), wk = 0.0029070 k( 258) = ( 0.2171053 0.1984526 0.9585975), wk = 0.0029070 k( 259) = ( 0.2236842 0.1866626 0.9720989), wk = 0.0029070 k( 260) = ( 0.2302632 0.1748725 0.9856002), wk = 0.0029070 k( 261) = ( 0.2368421 0.1630825 0.9991016), wk = 0.0029070 k( 262) = ( 0.2434210 0.1512925 1.0126030), wk = 0.0029070 k( 263) = ( 0.2500000 0.1395025 1.0261044), wk = 0.0029070 k( 264) = ( 0.2500000 0.1395025 1.0261044), wk = 0.0029070 k( 265) = ( 0.2638889 0.1472526 1.0172293), wk = 0.0029070 k( 266) = ( 0.2777778 0.1550028 1.0083542), wk = 0.0029070 k( 267) = ( 0.2916667 0.1627529 0.9994791), wk = 0.0029070 k( 268) = ( 0.3055556 0.1705030 0.9906040), wk = 0.0029070 k( 269) = ( 0.3194444 0.1782532 0.9817289), wk = 0.0029070 k( 270) = ( 0.3333333 0.1860033 0.9728538), wk = 0.0029070 k( 271) = ( 0.3472222 0.1937535 0.9639787), wk = 0.0029070 k( 272) = ( 0.3611111 0.2015036 0.9551036), wk = 0.0029070 k( 273) = ( 0.3750000 0.2092537 0.9462285), wk = 0.0029070 k( 274) = ( 0.3888889 0.2170039 0.9373534), wk = 0.0029070 k( 275) = ( 0.4027778 0.2247540 0.9284783), wk = 0.0029070 k( 276) = ( 0.4166667 0.2325041 0.9196032), wk = 0.0029070 k( 277) = ( 0.4305556 0.2402543 0.9107282), wk = 0.0029070 k( 278) = ( 0.4444444 0.2480044 0.9018530), wk = 0.0029070 k( 279) = ( 0.4583333 0.2557546 0.8929779), wk = 0.0029070 k( 280) = ( 0.4722222 0.2635047 0.8841029), wk = 0.0029070 k( 281) = ( 0.4861111 0.2712548 0.8752278), wk = 0.0029070 k( 282) = ( 0.5000000 0.2790050 0.8663527), wk = 0.0029070 k( 283) = ( 0.5000000 0.2790050 0.8663527), wk = 0.0029070 k( 284) = ( 0.5000000 0.2790050 0.8471004), wk = 0.0029070 k( 285) = ( 0.5000000 0.2790050 0.8278481), wk = 0.0029070 k( 286) = ( 0.5000000 0.2790050 0.8085958), wk = 0.0029070 k( 287) = ( 0.5000000 0.2790050 0.7893436), wk = 0.0029070 k( 288) = ( 0.5000000 0.2790050 0.7700913), wk = 0.0029070 k( 289) = ( 0.5000000 0.2790050 0.7508390), wk = 0.0029070 k( 290) = ( 0.5000000 0.2790050 0.7315867), wk = 0.0029070 k( 291) = ( 0.5000000 0.2790050 0.7123344), wk = 0.0029070 k( 292) = ( 0.5000000 0.2790050 0.6930821), wk = 0.0029070 k( 293) = ( 0.5000000 0.2790050 0.6738299), wk = 0.0029070 k( 294) = ( 0.5000000 0.2790050 0.6545776), wk = 0.0029070 k( 295) = ( 0.5000000 0.2790050 0.6353253), wk = 0.0029070 k( 296) = ( 0.5000000 0.2790050 0.6160730), wk = 0.0029070 k( 297) = ( 0.5000000 0.2790050 0.5968207), wk = 0.0029070 k( 298) = ( 0.5000000 0.2790050 0.5775684), wk = 0.0029070 k( 299) = ( 0.5000000 0.2790050 0.5583162), wk = 0.0029070 k( 300) = ( 0.5000000 0.2790050 0.5390639), wk = 0.0029070 k( 301) = ( 0.5000000 0.2790050 0.5198116), wk = 0.0029070 k( 302) = ( 0.5000000 0.2790050 0.5005593), wk = 0.0029070 k( 303) = ( 0.5000000 0.2790050 0.4813071), wk = 0.0029070 k( 304) = ( 0.5000000 0.2790050 0.4620548), wk = 0.0029070 k( 305) = ( 0.5000000 0.2790050 0.4428025), wk = 0.0029070 k( 306) = ( 0.5000000 0.2790050 0.4235502), wk = 0.0029070 k( 307) = ( 0.5000000 0.2790050 0.4042979), wk = 0.0029070 k( 308) = ( 0.5000000 0.2790050 0.3850456), wk = 0.0029070 k( 309) = ( 0.5000000 0.2790050 0.3657934), wk = 0.0029070 k( 310) = ( 0.5000000 0.2790050 0.3465411), wk = 0.0029070 k( 311) = ( 0.5000000 0.2790050 0.3272888), wk = 0.0029070 k( 312) = ( 0.5000000 0.2790050 0.3080365), wk = 0.0029070 k( 313) = ( 0.5000000 0.2790050 0.2887842), wk = 0.0029070 k( 314) = ( 0.5000000 0.2790050 0.2695319), wk = 0.0029070 k( 315) = ( 0.5000000 0.2790050 0.2502797), wk = 0.0029070 k( 316) = ( 0.5000000 0.2790050 0.2310274), wk = 0.0029070 k( 317) = ( 0.5000000 0.2790050 0.2117751), wk = 0.0029070 k( 318) = ( 0.5000000 0.2790050 0.1925228), wk = 0.0029070 k( 319) = ( 0.5000000 0.2790050 0.1732705), wk = 0.0029070 k( 320) = ( 0.5000000 0.2790050 0.1540183), wk = 0.0029070 k( 321) = ( 0.5000000 0.2790050 0.1347660), wk = 0.0029070 k( 322) = ( 0.5000000 0.2790050 0.1155137), wk = 0.0029070 k( 323) = ( 0.5000000 0.2790050 0.0962614), wk = 0.0029070 k( 324) = ( 0.5000000 0.2790050 0.0770091), wk = 0.0029070 k( 325) = ( 0.5000000 0.2790050 0.0577568), wk = 0.0029070 k( 326) = ( 0.5000000 0.2790050 0.0385046), wk = 0.0029070 k( 327) = ( 0.5000000 0.2790050 0.0192523), wk = 0.0029070 k( 328) = ( 0.5000000 0.2790050 0.0000000), wk = 0.0029070 k( 329) = ( 0.0000000 0.0000000 1.0261044), wk = 0.0029070 k( 330) = ( 0.0166667 0.0093002 1.0261044), wk = 0.0029070 k( 331) = ( 0.0333333 0.0186003 1.0261044), wk = 0.0029070 k( 332) = ( 0.0500000 0.0279005 1.0261044), wk = 0.0029070 k( 333) = ( 0.0666667 0.0372007 1.0261044), wk = 0.0029070 k( 334) = ( 0.0833333 0.0465008 1.0261044), wk = 0.0029070 k( 335) = ( 0.1000000 0.0558010 1.0261044), wk = 0.0029070 k( 336) = ( 0.1166667 0.0651012 1.0261044), wk = 0.0029070 k( 337) = ( 0.1333333 0.0744013 1.0261044), wk = 0.0029070 k( 338) = ( 0.1500000 0.0837015 1.0261044), wk = 0.0029070 k( 339) = ( 0.1666667 0.0930017 1.0261044), wk = 0.0029070 k( 340) = ( 0.1833333 0.1023018 1.0261044), wk = 0.0029070 k( 341) = ( 0.2000000 0.1116020 1.0261044), wk = 0.0029070 k( 342) = ( 0.2166667 0.1209022 1.0261044), wk = 0.0029070 k( 343) = ( 0.2333333 0.1302023 1.0261044), wk = 0.0029070 k( 344) = ( 0.2500000 0.1395025 1.0261044), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0029070 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0029070 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0029070 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0029070 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0029070 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0029070 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0029070 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0029070 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029070 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0029070 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0029070 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0029070 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0029070 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0029070 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0029070 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0029070 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0029070 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029070 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0029070 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0029070 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0029070 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0029070 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0029070 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0029070 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0029070 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0029070 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029070 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0029070 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0029070 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0029070 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0029070 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0029070 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0029070 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0029070 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0029070 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029070 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0029070 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0029070 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0029070 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0029070 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0029070 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0029070 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0029070 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0029070 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029070 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0029070 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0029070 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0029070 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0029070 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0029070 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0029070 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0029070 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0029070 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 57) = ( -0.0086493 0.0086493 0.5000000), wk = 0.0029070 k( 58) = ( -0.0172986 0.0172986 0.5000000), wk = 0.0029070 k( 59) = ( -0.0259479 0.0259479 0.5000000), wk = 0.0029070 k( 60) = ( -0.0345972 0.0345972 0.5000000), wk = 0.0029070 k( 61) = ( -0.0432465 0.0432465 0.5000000), wk = 0.0029070 k( 62) = ( -0.0518959 0.0518958 0.5000000), wk = 0.0029070 k( 63) = ( -0.0605452 0.0605452 0.5000000), wk = 0.0029070 k( 64) = ( -0.0691945 0.0691945 0.5000000), wk = 0.0029070 k( 65) = ( -0.0778438 0.0778438 0.5000000), wk = 0.0029070 k( 66) = ( -0.0778438 0.0778438 0.5000000), wk = 0.0029070 k( 67) = ( -0.0844400 0.0844400 0.4934038), wk = 0.0029070 k( 68) = ( -0.0910362 0.0910362 0.4868076), wk = 0.0029070 k( 69) = ( -0.0976324 0.0976324 0.4802114), wk = 0.0029070 k( 70) = ( -0.1042285 0.1042285 0.4736152), wk = 0.0029070 k( 71) = ( -0.1108247 0.1108247 0.4670190), wk = 0.0029070 k( 72) = ( -0.1174209 0.1174209 0.4604228), wk = 0.0029070 k( 73) = ( -0.1240171 0.1240171 0.4538267), wk = 0.0029070 k( 74) = ( -0.1306133 0.1306133 0.4472305), wk = 0.0029070 k( 75) = ( -0.1372095 0.1372095 0.4406343), wk = 0.0029070 k( 76) = ( -0.1438057 0.1438057 0.4340381), wk = 0.0029070 k( 77) = ( -0.1504019 0.1504019 0.4274419), wk = 0.0029070 k( 78) = ( -0.1569981 0.1569981 0.4208457), wk = 0.0029070 k( 79) = ( -0.1635943 0.1635943 0.4142495), wk = 0.0029070 k( 80) = ( -0.1701904 0.1701905 0.4076533), wk = 0.0029070 k( 81) = ( -0.1767866 0.1767866 0.4010571), wk = 0.0029070 k( 82) = ( -0.1833828 0.1833828 0.3944609), wk = 0.0029070 k( 83) = ( -0.1899790 0.1899790 0.3878647), wk = 0.0029070 k( 84) = ( -0.1965752 0.1965752 0.3812686), wk = 0.0029070 k( 85) = ( -0.2031714 0.2031714 0.3746724), wk = 0.0029070 k( 86) = ( -0.2097676 0.2097676 0.3680762), wk = 0.0029070 k( 87) = ( -0.2163638 0.2163638 0.3614800), wk = 0.0029070 k( 88) = ( -0.2229600 0.2229600 0.3548838), wk = 0.0029070 k( 89) = ( -0.2295562 0.2295562 0.3482876), wk = 0.0029070 k( 90) = ( -0.2361524 0.2361524 0.3416914), wk = 0.0029070 k( 91) = ( -0.2427486 0.2427486 0.3350952), wk = 0.0029070 k( 92) = ( -0.2493447 0.2493447 0.3284990), wk = 0.0029070 k( 93) = ( -0.2559409 0.2559409 0.3219028), wk = 0.0029070 k( 94) = ( -0.2625371 0.2625371 0.3153066), wk = 0.0029070 k( 95) = ( -0.2691333 0.2691333 0.3087105), wk = 0.0029070 k( 96) = ( -0.2757295 0.2757295 0.3021143), wk = 0.0029070 k( 97) = ( -0.2823257 0.2823257 0.2955181), wk = 0.0029070 k( 98) = ( -0.2889219 0.2889219 0.2889219), wk = 0.0029070 k( 99) = ( -0.2889219 0.2889219 0.2889219), wk = 0.0029070 k( 100) = ( -0.2823555 0.2823555 0.2823555), wk = 0.0029070 k( 101) = ( -0.2757891 0.2757891 0.2757891), wk = 0.0029070 k( 102) = ( -0.2692227 0.2692227 0.2692227), wk = 0.0029070 k( 103) = ( -0.2626563 0.2626563 0.2626563), wk = 0.0029070 k( 104) = ( -0.2560899 0.2560899 0.2560899), wk = 0.0029070 k( 105) = ( -0.2495235 0.2495235 0.2495234), wk = 0.0029070 k( 106) = ( -0.2429570 0.2429570 0.2429570), wk = 0.0029070 k( 107) = ( -0.2363906 0.2363906 0.2363906), wk = 0.0029070 k( 108) = ( -0.2298242 0.2298242 0.2298242), wk = 0.0029070 k( 109) = ( -0.2232578 0.2232578 0.2232578), wk = 0.0029070 k( 110) = ( -0.2166914 0.2166914 0.2166914), wk = 0.0029070 k( 111) = ( -0.2101250 0.2101250 0.2101250), wk = 0.0029070 k( 112) = ( -0.2035586 0.2035586 0.2035586), wk = 0.0029070 k( 113) = ( -0.1969922 0.1969922 0.1969922), wk = 0.0029070 k( 114) = ( -0.1904258 0.1904258 0.1904258), wk = 0.0029070 k( 115) = ( -0.1838594 0.1838594 0.1838594), wk = 0.0029070 k( 116) = ( -0.1772930 0.1772930 0.1772930), wk = 0.0029070 k( 117) = ( -0.1707266 0.1707266 0.1707266), wk = 0.0029070 k( 118) = ( -0.1641602 0.1641602 0.1641602), wk = 0.0029070 k( 119) = ( -0.1575938 0.1575938 0.1575938), wk = 0.0029070 k( 120) = ( -0.1510274 0.1510273 0.1510274), wk = 0.0029070 k( 121) = ( -0.1444609 0.1444609 0.1444609), wk = 0.0029070 k( 122) = ( -0.1378945 0.1378945 0.1378945), wk = 0.0029070 k( 123) = ( -0.1313281 0.1313281 0.1313281), wk = 0.0029070 k( 124) = ( -0.1247617 0.1247617 0.1247617), wk = 0.0029070 k( 125) = ( -0.1181953 0.1181953 0.1181953), wk = 0.0029070 k( 126) = ( -0.1116289 0.1116289 0.1116289), wk = 0.0029070 k( 127) = ( -0.1050625 0.1050625 0.1050625), wk = 0.0029070 k( 128) = ( -0.0984961 0.0984961 0.0984961), wk = 0.0029070 k( 129) = ( -0.0919297 0.0919297 0.0919297), wk = 0.0029070 k( 130) = ( -0.0853633 0.0853633 0.0853633), wk = 0.0029070 k( 131) = ( -0.0787969 0.0787969 0.0787969), wk = 0.0029070 k( 132) = ( -0.0722305 0.0722305 0.0722305), wk = 0.0029070 k( 133) = ( -0.0656641 0.0656641 0.0656641), wk = 0.0029070 k( 134) = ( -0.0590977 0.0590977 0.0590977), wk = 0.0029070 k( 135) = ( -0.0525313 0.0525312 0.0525312), wk = 0.0029070 k( 136) = ( -0.0459649 0.0459648 0.0459649), wk = 0.0029070 k( 137) = ( -0.0393984 0.0393984 0.0393984), wk = 0.0029070 k( 138) = ( -0.0328320 0.0328320 0.0328320), wk = 0.0029070 k( 139) = ( -0.0262656 0.0262656 0.0262656), wk = 0.0029070 k( 140) = ( -0.0196992 0.0196992 0.0196992), wk = 0.0029070 k( 141) = ( -0.0131328 0.0131328 0.0131328), wk = 0.0029070 k( 142) = ( -0.0065664 0.0065664 0.0065664), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 145) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0029070 k( 146) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0029070 k( 147) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0029070 k( 148) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0029070 k( 149) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029070 k( 150) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0029070 k( 151) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0029070 k( 152) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0029070 k( 153) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0029070 k( 154) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029070 k( 155) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0029070 k( 156) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0029070 k( 157) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0029070 k( 158) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0029070 k( 159) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029070 k( 160) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0029070 k( 161) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0029070 k( 162) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0029070 k( 163) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0029070 k( 164) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029070 k( 165) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0029070 k( 166) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0029070 k( 167) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0029070 k( 168) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0029070 k( 169) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029070 k( 170) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0029070 k( 171) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0029070 k( 172) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0029070 k( 173) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0029070 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070 k( 176) = ( 0.4934038 0.5065962 -0.4934038), wk = 0.0029070 k( 177) = ( 0.4868076 0.5131924 -0.4868076), wk = 0.0029070 k( 178) = ( 0.4802114 0.5197886 -0.4802114), wk = 0.0029070 k( 179) = ( 0.4736152 0.5263848 -0.4736152), wk = 0.0029070 k( 180) = ( 0.4670190 0.5329810 -0.4670190), wk = 0.0029070 k( 181) = ( 0.4604228 0.5395771 -0.4604228), wk = 0.0029070 k( 182) = ( 0.4538267 0.5461733 -0.4538267), wk = 0.0029070 k( 183) = ( 0.4472305 0.5527695 -0.4472305), wk = 0.0029070 k( 184) = ( 0.4406343 0.5593657 -0.4406343), wk = 0.0029070 k( 185) = ( 0.4340381 0.5659619 -0.4340381), wk = 0.0029070 k( 186) = ( 0.4274419 0.5725581 -0.4274419), wk = 0.0029070 k( 187) = ( 0.4208457 0.5791543 -0.4208457), wk = 0.0029070 k( 188) = ( 0.4142495 0.5857505 -0.4142495), wk = 0.0029070 k( 189) = ( 0.4076533 0.5923467 -0.4076533), wk = 0.0029070 k( 190) = ( 0.4010571 0.5989429 -0.4010571), wk = 0.0029070 k( 191) = ( 0.3944609 0.6055391 -0.3944609), wk = 0.0029070 k( 192) = ( 0.3878647 0.6121352 -0.3878647), wk = 0.0029070 k( 193) = ( 0.3812686 0.6187314 -0.3812686), wk = 0.0029070 k( 194) = ( 0.3746724 0.6253276 -0.3746724), wk = 0.0029070 k( 195) = ( 0.3680762 0.6319238 -0.3680762), wk = 0.0029070 k( 196) = ( 0.3614800 0.6385200 -0.3614800), wk = 0.0029070 k( 197) = ( 0.3548838 0.6451162 -0.3548838), wk = 0.0029070 k( 198) = ( 0.3482876 0.6517124 -0.3482876), wk = 0.0029070 k( 199) = ( 0.3416914 0.6583086 -0.3416914), wk = 0.0029070 k( 200) = ( 0.3350952 0.6649048 -0.3350952), wk = 0.0029070 k( 201) = ( 0.3284990 0.6715010 -0.3284990), wk = 0.0029070 k( 202) = ( 0.3219028 0.6780972 -0.3219028), wk = 0.0029070 k( 203) = ( 0.3153067 0.6846933 -0.3153066), wk = 0.0029070 k( 204) = ( 0.3087105 0.6912895 -0.3087105), wk = 0.0029070 k( 205) = ( 0.3021143 0.6978857 -0.3021143), wk = 0.0029070 k( 206) = ( 0.2955181 0.7044819 -0.2955181), wk = 0.0029070 k( 207) = ( 0.2889219 0.7110781 -0.2889219), wk = 0.0029070 k( 208) = ( 0.2889219 0.7110781 -0.2889219), wk = 0.0029070 k( 209) = ( 0.2708643 0.6978857 -0.2708643), wk = 0.0029070 k( 210) = ( 0.2528067 0.6846933 -0.2528066), wk = 0.0029070 k( 211) = ( 0.2347490 0.6715010 -0.2347490), wk = 0.0029070 k( 212) = ( 0.2166914 0.6583086 -0.2166914), wk = 0.0029070 k( 213) = ( 0.1986338 0.6451162 -0.1986338), wk = 0.0029070 k( 214) = ( 0.1805762 0.6319238 -0.1805762), wk = 0.0029070 k( 215) = ( 0.1625186 0.6187314 -0.1625186), wk = 0.0029070 k( 216) = ( 0.1444609 0.6055391 -0.1444609), wk = 0.0029070 k( 217) = ( 0.1264033 0.5923467 -0.1264033), wk = 0.0029070 k( 218) = ( 0.1083457 0.5791543 -0.1083457), wk = 0.0029070 k( 219) = ( 0.0902881 0.5659619 -0.0902881), wk = 0.0029070 k( 220) = ( 0.0722305 0.5527695 -0.0722305), wk = 0.0029070 k( 221) = ( 0.0541729 0.5395771 -0.0541729), wk = 0.0029070 k( 222) = ( 0.0361152 0.5263848 -0.0361152), wk = 0.0029070 k( 223) = ( 0.0180576 0.5131924 -0.0180576), wk = 0.0029070 k( 224) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 225) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 226) = ( 0.0065790 0.4934211 0.0065790), wk = 0.0029070 k( 227) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0029070 k( 228) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0029070 k( 229) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0029070 k( 230) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0029070 k( 231) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0029070 k( 232) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0029070 k( 233) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0029070 k( 234) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0029070 k( 235) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0029070 k( 236) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0029070 k( 237) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0029070 k( 238) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0029070 k( 239) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0029070 k( 240) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0029070 k( 241) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0029070 k( 242) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0029070 k( 243) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0029070 k( 244) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029070 k( 245) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0029070 k( 246) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0029070 k( 247) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0029070 k( 248) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0029070 k( 249) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0029070 k( 250) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0029070 k( 251) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0029070 k( 252) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0029070 k( 253) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0029070 k( 254) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0029070 k( 255) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0029070 k( 256) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0029070 k( 257) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0029070 k( 258) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0029070 k( 259) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0029070 k( 260) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0029070 k( 261) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0029070 k( 262) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0029070 k( 263) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070 k( 264) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070 k( 265) = ( 0.2638889 0.2638889 0.2317865), wk = 0.0029070 k( 266) = ( 0.2777778 0.2777778 0.2135729), wk = 0.0029070 k( 267) = ( 0.2916667 0.2916667 0.1953594), wk = 0.0029070 k( 268) = ( 0.3055556 0.3055556 0.1771458), wk = 0.0029070 k( 269) = ( 0.3194444 0.3194444 0.1589323), wk = 0.0029070 k( 270) = ( 0.3333333 0.3333333 0.1407187), wk = 0.0029070 k( 271) = ( 0.3472222 0.3472222 0.1225052), wk = 0.0029070 k( 272) = ( 0.3611111 0.3611111 0.1042917), wk = 0.0029070 k( 273) = ( 0.3750000 0.3750000 0.0860781), wk = 0.0029070 k( 274) = ( 0.3888889 0.3888889 0.0678646), wk = 0.0029070 k( 275) = ( 0.4027778 0.4027778 0.0496510), wk = 0.0029070 k( 276) = ( 0.4166667 0.4166667 0.0314375), wk = 0.0029070 k( 277) = ( 0.4305556 0.4305556 0.0132239), wk = 0.0029070 k( 278) = ( 0.4444444 0.4444444 -0.0049896), wk = 0.0029070 k( 279) = ( 0.4583333 0.4583333 -0.0232031), wk = 0.0029070 k( 280) = ( 0.4722222 0.4722222 -0.0414167), wk = 0.0029070 k( 281) = ( 0.4861111 0.4861111 -0.0596302), wk = 0.0029070 k( 282) = ( 0.5000000 0.5000000 -0.0778438), wk = 0.0029070 k( 283) = ( 0.5000000 0.5000000 -0.0778438), wk = 0.0029070 k( 284) = ( 0.5000000 0.5000000 -0.0872250), wk = 0.0029070 k( 285) = ( 0.5000000 0.5000000 -0.0966063), wk = 0.0029070 k( 286) = ( 0.5000000 0.5000000 -0.1059875), wk = 0.0029070 k( 287) = ( 0.5000000 0.5000000 -0.1153688), wk = 0.0029070 k( 288) = ( 0.5000000 0.5000000 -0.1247500), wk = 0.0029070 k( 289) = ( 0.5000000 0.5000000 -0.1341313), wk = 0.0029070 k( 290) = ( 0.5000000 0.5000000 -0.1435125), wk = 0.0029070 k( 291) = ( 0.5000000 0.5000000 -0.1528938), wk = 0.0029070 k( 292) = ( 0.5000000 0.5000000 -0.1622750), wk = 0.0029070 k( 293) = ( 0.5000000 0.5000000 -0.1716563), wk = 0.0029070 k( 294) = ( 0.5000000 0.5000000 -0.1810375), wk = 0.0029070 k( 295) = ( 0.5000000 0.5000000 -0.1904188), wk = 0.0029070 k( 296) = ( 0.5000000 0.5000000 -0.1998000), wk = 0.0029070 k( 297) = ( 0.5000000 0.5000000 -0.2091813), wk = 0.0029070 k( 298) = ( 0.5000000 0.5000000 -0.2185625), wk = 0.0029070 k( 299) = ( 0.5000000 0.5000000 -0.2279438), wk = 0.0029070 k( 300) = ( 0.5000000 0.5000000 -0.2373250), wk = 0.0029070 k( 301) = ( 0.5000000 0.5000000 -0.2467063), wk = 0.0029070 k( 302) = ( 0.5000000 0.5000000 -0.2560875), wk = 0.0029070 k( 303) = ( 0.5000000 0.5000000 -0.2654688), wk = 0.0029070 k( 304) = ( 0.5000000 0.5000000 -0.2748500), wk = 0.0029070 k( 305) = ( 0.5000000 0.5000000 -0.2842313), wk = 0.0029070 k( 306) = ( 0.5000000 0.5000000 -0.2936125), wk = 0.0029070 k( 307) = ( 0.5000000 0.5000000 -0.3029938), wk = 0.0029070 k( 308) = ( 0.5000000 0.5000000 -0.3123750), wk = 0.0029070 k( 309) = ( 0.5000000 0.5000000 -0.3217563), wk = 0.0029070 k( 310) = ( 0.5000000 0.5000000 -0.3311375), wk = 0.0029070 k( 311) = ( 0.5000000 0.5000000 -0.3405188), wk = 0.0029070 k( 312) = ( 0.5000000 0.5000000 -0.3499000), wk = 0.0029070 k( 313) = ( 0.5000000 0.5000000 -0.3592813), wk = 0.0029070 k( 314) = ( 0.5000000 0.5000000 -0.3686625), wk = 0.0029070 k( 315) = ( 0.5000000 0.5000000 -0.3780438), wk = 0.0029070 k( 316) = ( 0.5000000 0.5000000 -0.3874250), wk = 0.0029070 k( 317) = ( 0.5000000 0.5000000 -0.3968063), wk = 0.0029070 k( 318) = ( 0.5000000 0.5000000 -0.4061875), wk = 0.0029070 k( 319) = ( 0.5000000 0.5000000 -0.4155688), wk = 0.0029070 k( 320) = ( 0.5000000 0.5000000 -0.4249500), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 -0.4343312), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 -0.4437125), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 -0.4530937), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 -0.4624750), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 -0.4718562), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 -0.4812375), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 -0.4906187), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 330) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0029070 k( 331) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0029070 k( 332) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0029070 k( 333) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0029070 k( 334) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029070 k( 335) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0029070 k( 336) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0029070 k( 337) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0029070 k( 338) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0029070 k( 339) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029070 k( 340) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0029070 k( 341) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0029070 k( 342) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0029070 k( 343) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0029070 k( 344) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070 Dense grid: 48221 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26171 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 194, 50) NL pseudopotentials 0.25 Mb ( 97, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1341) G-vector shells 0.00 Mb ( 611) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 194, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.26 Mb ( 170, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CaxZnSix2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.6 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.0 secs Computing kpt #: 14 total cpu time spent up to now is 14.7 secs Computing kpt #: 15 total cpu time spent up to now is 15.4 secs Computing kpt #: 16 total cpu time spent up to now is 16.1 secs Computing kpt #: 17 total cpu time spent up to now is 16.7 secs Computing kpt #: 18 total cpu time spent up to now is 17.3 secs Computing kpt #: 19 total cpu time spent up to now is 17.9 secs Computing kpt #: 20 total cpu time spent up to now is 18.4 secs Computing kpt #: 21 total cpu time spent up to now is 19.1 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 21.6 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.8 secs Computing kpt #: 27 total cpu time spent up to now is 24.6 secs Computing kpt #: 28 total cpu time spent up to now is 25.4 secs Computing kpt #: 29 total cpu time spent up to now is 26.3 secs Computing kpt #: 30 total cpu time spent up to now is 27.2 secs Computing kpt #: 31 total cpu time spent up to now is 28.3 secs Computing kpt #: 32 total cpu time spent up to now is 29.4 secs Computing kpt #: 33 total cpu time spent up to now is 30.5 secs Computing kpt #: 34 total cpu time spent up to now is 31.3 secs Computing kpt #: 35 total cpu time spent up to now is 32.2 secs Computing kpt #: 36 total cpu time spent up to now is 33.1 secs Computing kpt #: 37 total cpu time spent up to now is 34.0 secs Computing kpt #: 38 total cpu time spent up to now is 34.9 secs Computing kpt #: 39 total cpu time spent up to now is 36.1 secs Computing kpt #: 40 total cpu time spent up to now is 37.0 secs Computing kpt #: 41 total cpu time spent up to now is 37.6 secs Computing kpt #: 42 total cpu time spent up to now is 38.2 secs Computing kpt #: 43 total cpu time spent up to now is 38.7 secs Computing kpt #: 44 total cpu time spent up to now is 39.3 secs Computing kpt #: 45 total cpu time spent up to now is 39.9 secs Computing kpt #: 46 total cpu time spent up to now is 40.4 secs Computing kpt #: 47 total cpu time spent up to now is 41.0 secs Computing kpt #: 48 total cpu time spent up to now is 41.6 secs Computing kpt #: 49 total cpu time spent up to now is 42.4 secs Computing kpt #: 50 total cpu time spent up to now is 43.0 secs Computing kpt #: 51 total cpu time spent up to now is 43.8 secs Computing kpt #: 52 total cpu time spent up to now is 44.4 secs Computing kpt #: 53 total cpu time spent up to now is 45.0 secs Computing kpt #: 54 total cpu time spent up to now is 45.7 secs Computing kpt #: 55 total cpu time spent up to now is 46.4 secs Computing kpt #: 56 total cpu time spent up to now is 47.0 secs Computing kpt #: 57 total cpu time spent up to now is 47.6 secs Computing kpt #: 58 total cpu time spent up to now is 48.2 secs Computing kpt #: 59 total cpu time spent up to now is 48.9 secs Computing kpt #: 60 total cpu time spent up to now is 49.6 secs Computing kpt #: 61 total cpu time spent up to now is 50.3 secs Computing kpt #: 62 total cpu time spent up to now is 51.1 secs Computing kpt #: 63 total cpu time spent up to now is 51.9 secs Computing kpt #: 64 total cpu time spent up to now is 52.8 secs Computing kpt #: 65 total cpu time spent up to now is 53.9 secs Computing kpt #: 66 total cpu time spent up to now is 54.8 secs Computing kpt #: 67 total cpu time spent up to now is 55.7 secs Computing kpt #: 68 total cpu time spent up to now is 56.6 secs Computing kpt #: 69 total cpu time spent up to now is 57.4 secs Computing kpt #: 70 total cpu time spent up to now is 58.3 secs Computing kpt #: 71 total cpu time spent up to now is 59.2 secs Computing kpt #: 72 total cpu time spent up to now is 60.3 secs Computing kpt #: 73 total cpu time spent up to now is 61.4 secs Computing kpt #: 74 total cpu time spent up to now is 62.5 secs Computing kpt #: 75 total cpu time spent up to now is 63.8 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.5 secs Computing kpt #: 77 total cpu time spent up to now is 66.6 secs Computing kpt #: 78 total cpu time spent up to now is 67.6 secs Computing kpt #: 79 total cpu time spent up to now is 68.4 secs Computing kpt #: 80 total cpu time spent up to now is 69.4 secs Computing kpt #: 81 total cpu time spent up to now is 70.2 secs Computing kpt #: 82 total cpu time spent up to now is 71.1 secs Computing kpt #: 83 total cpu time spent up to now is 72.0 secs Computing kpt #: 84 total cpu time spent up to now is 72.8 secs Computing kpt #: 85 total cpu time spent up to now is 73.7 secs Computing kpt #: 86 total cpu time spent up to now is 74.6 secs Computing kpt #: 87 total cpu time spent up to now is 75.3 secs Computing kpt #: 88 total cpu time spent up to now is 76.0 secs Computing kpt #: 89 total cpu time spent up to now is 76.9 secs Computing kpt #: 90 total cpu time spent up to now is 77.5 secs Computing kpt #: 91 total cpu time spent up to now is 78.5 secs Computing kpt #: 92 total cpu time spent up to now is 79.6 secs Computing kpt #: 93 total cpu time spent up to now is 80.6 secs Computing kpt #: 94 total cpu time spent up to now is 81.5 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.2 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 97 total cpu time spent up to now is 85.8 secs Computing kpt #: 98 total cpu time spent up to now is 86.7 secs Computing kpt #: 99 total cpu time spent up to now is 87.6 secs Computing kpt #: 100 total cpu time spent up to now is 88.5 secs Computing kpt #: 101 total cpu time spent up to now is 89.4 secs Computing kpt #: 102 total cpu time spent up to now is 90.3 secs Computing kpt #: 103 total cpu time spent up to now is 91.2 secs Computing kpt #: 104 total cpu time spent up to now is 92.0 secs Computing kpt #: 105 total cpu time spent up to now is 93.0 secs Computing kpt #: 106 total cpu time spent up to now is 93.9 secs Computing kpt #: 107 total cpu time spent up to now is 95.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.6 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.3 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.9 secs Computing kpt #: 111 total cpu time spent up to now is 101.2 secs Computing kpt #: 112 total cpu time spent up to now is 102.3 secs Computing kpt #: 113 total cpu time spent up to now is 103.2 secs Computing kpt #: 114 total cpu time spent up to now is 104.2 secs Computing kpt #: 115 total cpu time spent up to now is 105.1 secs Computing kpt #: 116 total cpu time spent up to now is 106.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.9 secs Computing kpt #: 118 total cpu time spent up to now is 108.7 secs Computing kpt #: 119 total cpu time spent up to now is 109.5 secs Computing kpt #: 120 total cpu time spent up to now is 110.2 secs Computing kpt #: 121 total cpu time spent up to now is 110.9 secs Computing kpt #: 122 total cpu time spent up to now is 111.6 secs Computing kpt #: 123 total cpu time spent up to now is 112.3 secs Computing kpt #: 124 total cpu time spent up to now is 113.0 secs Computing kpt #: 125 total cpu time spent up to now is 113.8 secs Computing kpt #: 126 total cpu time spent up to now is 114.6 secs Computing kpt #: 127 total cpu time spent up to now is 115.5 secs Computing kpt #: 128 total cpu time spent up to now is 116.6 secs Computing kpt #: 129 total cpu time spent up to now is 117.7 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.0 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 134 total cpu time spent up to now is 124.7 secs Computing kpt #: 135 total cpu time spent up to now is 125.2 secs Computing kpt #: 136 total cpu time spent up to now is 125.8 secs Computing kpt #: 137 total cpu time spent up to now is 126.3 secs Computing kpt #: 138 total cpu time spent up to now is 126.8 secs Computing kpt #: 139 total cpu time spent up to now is 127.4 secs Computing kpt #: 140 total cpu time spent up to now is 127.9 secs Computing kpt #: 141 total cpu time spent up to now is 128.5 secs Computing kpt #: 142 total cpu time spent up to now is 130.4 secs Computing kpt #: 143 total cpu time spent up to now is 131.0 secs Computing kpt #: 144 total cpu time spent up to now is 131.5 secs Computing kpt #: 145 total cpu time spent up to now is 132.0 secs Computing kpt #: 146 total cpu time spent up to now is 132.6 secs Computing kpt #: 147 total cpu time spent up to now is 133.1 secs Computing kpt #: 148 total cpu time spent up to now is 133.7 secs Computing kpt #: 149 total cpu time spent up to now is 134.3 secs Computing kpt #: 150 total cpu time spent up to now is 134.8 secs Computing kpt #: 151 total cpu time spent up to now is 135.5 secs Computing kpt #: 152 total cpu time spent up to now is 136.8 secs Computing kpt #: 153 total cpu time spent up to now is 137.9 secs Computing kpt #: 154 total cpu time spent up to now is 139.0 secs Computing kpt #: 155 total cpu time spent up to now is 140.0 secs Computing kpt #: 156 total cpu time spent up to now is 141.1 secs Computing kpt #: 157 total cpu time spent up to now is 142.1 secs Computing kpt #: 158 total cpu time spent up to now is 143.2 secs Computing kpt #: 159 total cpu time spent up to now is 144.4 secs Computing kpt #: 160 total cpu time spent up to now is 146.0 secs Computing kpt #: 161 total cpu time spent up to now is 146.7 secs Computing kpt #: 162 total cpu time spent up to now is 147.3 secs Computing kpt #: 163 total cpu time spent up to now is 148.0 secs Computing kpt #: 164 total cpu time spent up to now is 148.6 secs Computing kpt #: 165 total cpu time spent up to now is 149.3 secs Computing kpt #: 166 total cpu time spent up to now is 150.0 secs Computing kpt #: 167 total cpu time spent up to now is 150.9 secs Computing kpt #: 168 total cpu time spent up to now is 151.6 secs Computing kpt #: 169 total cpu time spent up to now is 152.5 secs Computing kpt #: 170 total cpu time spent up to now is 153.8 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.5 secs Computing kpt #: 172 total cpu time spent up to now is 156.8 secs Computing kpt #: 173 total cpu time spent up to now is 158.0 secs Computing kpt #: 174 total cpu time spent up to now is 159.2 secs Computing kpt #: 175 total cpu time spent up to now is 160.5 secs Computing kpt #: 176 total cpu time spent up to now is 161.5 secs Computing kpt #: 177 total cpu time spent up to now is 162.6 secs Computing kpt #: 178 total cpu time spent up to now is 163.7 secs Computing kpt #: 179 total cpu time spent up to now is 164.9 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.5 secs Computing kpt #: 181 total cpu time spent up to now is 168.1 secs Computing kpt #: 182 total cpu time spent up to now is 169.0 secs Computing kpt #: 183 total cpu time spent up to now is 170.0 secs Computing kpt #: 184 total cpu time spent up to now is 170.8 secs Computing kpt #: 185 total cpu time spent up to now is 171.8 secs Computing kpt #: 186 total cpu time spent up to now is 172.7 secs Computing kpt #: 187 total cpu time spent up to now is 173.5 secs Computing kpt #: 188 total cpu time spent up to now is 174.3 secs Computing kpt #: 189 total cpu time spent up to now is 175.2 secs Computing kpt #: 190 total cpu time spent up to now is 176.0 secs Computing kpt #: 191 total cpu time spent up to now is 177.4 secs Computing kpt #: 192 total cpu time spent up to now is 178.2 secs Computing kpt #: 193 total cpu time spent up to now is 179.1 secs Computing kpt #: 194 total cpu time spent up to now is 179.8 secs Computing kpt #: 195 total cpu time spent up to now is 180.5 secs Computing kpt #: 196 total cpu time spent up to now is 181.3 secs Computing kpt #: 197 total cpu time spent up to now is 182.1 secs Computing kpt #: 198 total cpu time spent up to now is 182.9 secs Computing kpt #: 199 total cpu time spent up to now is 183.8 secs Computing kpt #: 200 total cpu time spent up to now is 184.6 secs Computing kpt #: 201 total cpu time spent up to now is 185.5 secs Computing kpt #: 202 total cpu time spent up to now is 186.3 secs Computing kpt #: 203 total cpu time spent up to now is 187.2 secs Computing kpt #: 204 total cpu time spent up to now is 188.1 secs Computing kpt #: 205 total cpu time spent up to now is 188.9 secs Computing kpt #: 206 total cpu time spent up to now is 189.7 secs Computing kpt #: 207 total cpu time spent up to now is 190.7 secs Computing kpt #: 208 total cpu time spent up to now is 191.7 secs Computing kpt #: 209 total cpu time spent up to now is 192.6 secs Computing kpt #: 210 total cpu time spent up to now is 193.4 secs Computing kpt #: 211 total cpu time spent up to now is 194.3 secs Computing kpt #: 212 total cpu time spent up to now is 195.1 secs Computing kpt #: 213 total cpu time spent up to now is 195.9 secs Computing kpt #: 214 total cpu time spent up to now is 196.6 secs Computing kpt #: 215 total cpu time spent up to now is 197.3 secs Computing kpt #: 216 total cpu time spent up to now is 198.0 secs Computing kpt #: 217 total cpu time spent up to now is 198.6 secs Computing kpt #: 218 total cpu time spent up to now is 199.1 secs Computing kpt #: 219 total cpu time spent up to now is 199.8 secs Computing kpt #: 220 total cpu time spent up to now is 200.4 secs Computing kpt #: 221 total cpu time spent up to now is 201.1 secs Computing kpt #: 222 total cpu time spent up to now is 201.7 secs Computing kpt #: 223 total cpu time spent up to now is 202.2 secs Computing kpt #: 224 total cpu time spent up to now is 202.8 secs Computing kpt #: 225 total cpu time spent up to now is 203.4 secs Computing kpt #: 226 total cpu time spent up to now is 203.9 secs Computing kpt #: 227 total cpu time spent up to now is 204.5 secs Computing kpt #: 228 total cpu time spent up to now is 205.0 secs Computing kpt #: 229 total cpu time spent up to now is 205.7 secs Computing kpt #: 230 total cpu time spent up to now is 206.3 secs Computing kpt #: 231 total cpu time spent up to now is 206.9 secs Computing kpt #: 232 total cpu time spent up to now is 207.6 secs Computing kpt #: 233 total cpu time spent up to now is 208.3 secs Computing kpt #: 234 total cpu time spent up to now is 209.0 secs Computing kpt #: 235 total cpu time spent up to now is 209.9 secs Computing kpt #: 236 total cpu time spent up to now is 210.7 secs Computing kpt #: 237 total cpu time spent up to now is 211.6 secs Computing kpt #: 238 total cpu time spent up to now is 212.4 secs Computing kpt #: 239 total cpu time spent up to now is 213.1 secs Computing kpt #: 240 total cpu time spent up to now is 213.7 secs Computing kpt #: 241 total cpu time spent up to now is 214.3 secs Computing kpt #: 242 total cpu time spent up to now is 215.0 secs Computing kpt #: 243 total cpu time spent up to now is 215.6 secs Computing kpt #: 244 total cpu time spent up to now is 216.3 secs Computing kpt #: 245 total cpu time spent up to now is 216.9 secs Computing kpt #: 246 total cpu time spent up to now is 217.6 secs Computing kpt #: 247 total cpu time spent up to now is 218.1 secs Computing kpt #: 248 total cpu time spent up to now is 218.7 secs Computing kpt #: 249 total cpu time spent up to now is 219.2 secs Computing kpt #: 250 total cpu time spent up to now is 219.8 secs Computing kpt #: 251 total cpu time spent up to now is 220.3 secs Computing kpt #: 252 total cpu time spent up to now is 220.9 secs Computing kpt #: 253 total cpu time spent up to now is 221.4 secs Computing kpt #: 254 total cpu time spent up to now is 222.0 secs Computing kpt #: 255 total cpu time spent up to now is 222.6 secs Computing kpt #: 256 total cpu time spent up to now is 223.1 secs Computing kpt #: 257 total cpu time spent up to now is 223.6 secs Computing kpt #: 258 total cpu time spent up to now is 224.2 secs Computing kpt #: 259 total cpu time spent up to now is 224.8 secs Computing kpt #: 260 total cpu time spent up to now is 225.4 secs Computing kpt #: 261 total cpu time spent up to now is 225.9 secs Computing kpt #: 262 total cpu time spent up to now is 226.7 secs Computing kpt #: 263 total cpu time spent up to now is 227.4 secs Computing kpt #: 264 total cpu time spent up to now is 228.0 secs Computing kpt #: 265 total cpu time spent up to now is 228.7 secs Computing kpt #: 266 total cpu time spent up to now is 229.3 secs Computing kpt #: 267 total cpu time spent up to now is 229.8 secs Computing kpt #: 268 total cpu time spent up to now is 230.4 secs Computing kpt #: 269 total cpu time spent up to now is 230.9 secs Computing kpt #: 270 total cpu time spent up to now is 231.5 secs Computing kpt #: 271 total cpu time spent up to now is 232.0 secs Computing kpt #: 272 total cpu time spent up to now is 232.6 secs Computing kpt #: 273 total cpu time spent up to now is 233.2 secs Computing kpt #: 274 total cpu time spent up to now is 233.7 secs Computing kpt #: 275 total cpu time spent up to now is 234.4 secs Computing kpt #: 276 total cpu time spent up to now is 235.1 secs Computing kpt #: 277 total cpu time spent up to now is 235.7 secs Computing kpt #: 278 total cpu time spent up to now is 236.4 secs Computing kpt #: 279 total cpu time spent up to now is 237.3 secs Computing kpt #: 280 total cpu time spent up to now is 238.2 secs Computing kpt #: 281 total cpu time spent up to now is 239.2 secs Computing kpt #: 282 total cpu time spent up to now is 240.0 secs Computing kpt #: 283 total cpu time spent up to now is 241.1 secs Computing kpt #: 284 total cpu time spent up to now is 242.0 secs Computing kpt #: 285 total cpu time spent up to now is 242.7 secs Computing kpt #: 286 total cpu time spent up to now is 243.5 secs Computing kpt #: 287 total cpu time spent up to now is 244.3 secs Computing kpt #: 288 total cpu time spent up to now is 245.1 secs Computing kpt #: 289 total cpu time spent up to now is 246.1 secs Computing kpt #: 290 total cpu time spent up to now is 247.0 secs Computing kpt #: 291 total cpu time spent up to now is 248.1 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.4 secs Computing kpt #: 294 total cpu time spent up to now is 252.5 secs Computing kpt #: 295 total cpu time spent up to now is 253.4 secs Computing kpt #: 296 total cpu time spent up to now is 254.3 secs Computing kpt #: 297 total cpu time spent up to now is 255.2 secs Computing kpt #: 298 total cpu time spent up to now is 255.9 secs Computing kpt #: 299 total cpu time spent up to now is 256.6 secs Computing kpt #: 300 total cpu time spent up to now is 257.3 secs Computing kpt #: 301 total cpu time spent up to now is 258.0 secs Computing kpt #: 302 total cpu time spent up to now is 258.6 secs Computing kpt #: 303 total cpu time spent up to now is 259.3 secs Computing kpt #: 304 total cpu time spent up to now is 260.0 secs Computing kpt #: 305 total cpu time spent up to now is 260.6 secs Computing kpt #: 306 total cpu time spent up to now is 261.3 secs Computing kpt #: 307 total cpu time spent up to now is 261.9 secs Computing kpt #: 308 total cpu time spent up to now is 262.6 secs Computing kpt #: 309 total cpu time spent up to now is 263.3 secs Computing kpt #: 310 total cpu time spent up to now is 264.1 secs Computing kpt #: 311 total cpu time spent up to now is 264.9 secs Computing kpt #: 312 total cpu time spent up to now is 265.7 secs Computing kpt #: 313 total cpu time spent up to now is 266.6 secs Computing kpt #: 314 total cpu time spent up to now is 267.5 secs Computing kpt #: 315 total cpu time spent up to now is 269.0 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.6 secs Computing kpt #: 317 total cpu time spent up to now is 271.5 secs Computing kpt #: 318 total cpu time spent up to now is 272.5 secs Computing kpt #: 319 total cpu time spent up to now is 273.4 secs Computing kpt #: 320 total cpu time spent up to now is 274.3 secs Computing kpt #: 321 total cpu time spent up to now is 275.2 secs Computing kpt #: 322 total cpu time spent up to now is 276.2 secs Computing kpt #: 323 total cpu time spent up to now is 277.1 secs Computing kpt #: 324 total cpu time spent up to now is 278.0 secs Computing kpt #: 325 total cpu time spent up to now is 279.0 secs Computing kpt #: 326 total cpu time spent up to now is 280.0 secs Computing kpt #: 327 total cpu time spent up to now is 281.1 secs Computing kpt #: 328 total cpu time spent up to now is 282.4 secs Computing kpt #: 329 total cpu time spent up to now is 283.1 secs Computing kpt #: 330 total cpu time spent up to now is 283.7 secs Computing kpt #: 331 total cpu time spent up to now is 284.3 secs Computing kpt #: 332 total cpu time spent up to now is 284.9 secs Computing kpt #: 333 total cpu time spent up to now is 285.5 secs Computing kpt #: 334 total cpu time spent up to now is 286.1 secs Computing kpt #: 335 total cpu time spent up to now is 287.0 secs Computing kpt #: 336 total cpu time spent up to now is 287.7 secs Computing kpt #: 337 total cpu time spent up to now is 288.7 secs Computing kpt #: 338 total cpu time spent up to now is 289.4 secs Computing kpt #: 339 total cpu time spent up to now is 290.2 secs Computing kpt #: 340 total cpu time spent up to now is 290.9 secs Computing kpt #: 341 total cpu time spent up to now is 291.6 secs Computing kpt #: 342 total cpu time spent up to now is 292.4 secs Computing kpt #: 343 total cpu time spent up to now is 293.0 secs Computing kpt #: 344 total cpu time spent up to now is 293.7 secs ethr = 2.38E-08, avg # of iterations = 41.0 total cpu time spent up to now is 293.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -31.9111 -31.9111 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7393 -1.7393 0.8234 0.8234 1.3585 1.3585 1.3744 1.3744 1.4424 1.4424 1.6220 1.6220 1.8790 1.8790 1.9413 1.9413 2.0229 2.0229 2.1029 2.1029 2.2491 2.2491 3.3835 3.3835 3.7106 3.7106 7.2675 7.2675 7.3115 7.3115 8.7609 8.7609 8.7826 8.7826 9.3722 9.3722 9.5028 9.5028 11.0216 11.0216 12.0429 12.0429 k = 0.0000 0.0000 0.0190 ( 3265 PWs) bands (ev): -31.9110 -31.9110 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7381 -1.7381 0.8236 0.8236 1.3589 1.3589 1.3745 1.3745 1.4426 1.4426 1.6220 1.6220 1.8789 1.8789 1.9412 1.9412 2.0228 2.0228 2.1027 2.1027 2.2486 2.2486 3.3842 3.3842 3.7109 3.7109 7.2615 7.2615 7.3060 7.3060 8.7463 8.7463 8.7711 8.7711 9.3932 9.3932 9.5153 9.5153 11.0245 11.0245 12.0499 12.0499 k = 0.0000 0.0000 0.0380 ( 3273 PWs) bands (ev): -31.9110 -31.9110 -13.1911 -13.1911 -12.8310 -12.8310 -12.7917 -12.7917 -1.7343 -1.7343 0.8241 0.8241 1.3599 1.3599 1.3749 1.3749 1.4429 1.4429 1.6221 1.6221 1.8783 1.8783 1.9405 1.9405 2.0226 2.0226 2.1019 2.1019 2.2473 2.2473 3.3863 3.3863 3.7119 3.7119 7.2407 7.2407 7.2930 7.2930 8.6991 8.6991 8.7467 8.7467 9.4496 9.4496 9.5521 9.5521 11.0334 11.0334 12.0701 12.0701 k = 0.0000 0.0000 0.0570 ( 3268 PWs) bands (ev): -31.9110 -31.9110 -13.1912 -13.1912 -12.8310 -12.8310 -12.7919 -12.7919 -1.7280 -1.7280 0.8252 0.8252 1.3615 1.3615 1.3758 1.3758 1.4435 1.4435 1.6224 1.6224 1.8774 1.8774 1.9395 1.9395 2.0221 2.0221 2.1005 2.1005 2.2450 2.2450 3.3898 3.3898 3.7135 3.7135 7.2016 7.2016 7.2778 7.2778 8.6294 8.6294 8.7120 8.7120 9.5295 9.5295 9.6116 9.6116 11.0481 11.0481 12.1005 12.1005 k = 0.0000 0.0000 0.0760 ( 3268 PWs) bands (ev): -31.9110 -31.9110 -13.1913 -13.1913 -12.8311 -12.8311 -12.7922 -12.7922 -1.7193 -1.7193 0.8268 0.8268 1.3635 1.3635 1.3772 1.3772 1.4444 1.4444 1.6229 1.6229 1.8759 1.8759 1.9382 1.9382 2.0215 2.0215 2.0985 2.0985 2.2418 2.2418 3.3947 3.3947 3.7157 3.7157 7.1461 7.1461 7.2614 7.2614 8.5481 8.5481 8.6664 8.6664 9.6238 9.6238 9.6913 9.6913 11.0683 11.0683 12.1363 12.1363 k = 0.0000 0.0000 0.0950 ( 3258 PWs) bands (ev): -31.9109 -31.9109 -13.1915 -13.1915 -12.8311 -12.8311 -12.7926 -12.7926 -1.7081 -1.7081 0.8288 0.8288 1.3656 1.3656 1.3794 1.3794 1.4455 1.4455 1.6234 1.6234 1.8741 1.8741 1.9367 1.9367 2.0208 2.0208 2.0961 2.0961 2.2378 2.2378 3.4009 3.4009 3.7184 3.7184 7.0779 7.0779 7.2426 7.2426 8.4612 8.4612 8.6107 8.6107 9.7273 9.7273 9.7882 9.7882 11.0940 11.0940 12.1713 12.1713 k = 0.0000 0.0000 0.1140 ( 3262 PWs) bands (ev): -31.9109 -31.9109 -13.1917 -13.1917 -12.8313 -12.8313 -12.7930 -12.7930 -1.6944 -1.6944 0.8313 0.8313 1.3674 1.3674 1.3827 1.3827 1.4468 1.4468 1.6241 1.6241 1.8717 1.8717 1.9350 1.9350 2.0199 2.0199 2.0932 2.0932 2.2328 2.2328 3.4082 3.4082 3.7217 3.7217 7.0002 7.0002 7.2212 7.2212 8.3716 8.3716 8.5465 8.5465 9.8371 9.8371 9.8999 9.8999 11.1247 11.1247 12.2005 12.2005 k = 0.0000 0.0000 0.1330 ( 3264 PWs) bands (ev): -31.9109 -31.9109 -13.1919 -13.1919 -12.8314 -12.8314 -12.7936 -12.7936 -1.6784 -1.6784 0.8342 0.8342 1.3689 1.3689 1.3869 1.3869 1.4484 1.4484 1.6249 1.6249 1.8687 1.8687 1.9331 1.9331 2.0188 2.0188 2.0899 2.0899 2.2271 2.2271 3.4166 3.4166 3.7255 3.7255 6.9157 6.9157 7.1973 7.1973 8.2809 8.2809 8.4753 8.4753 9.9517 9.9517 10.0237 10.0237 11.1601 11.1601 12.2226 12.2226 k = 0.0000 0.0000 0.1520 ( 3268 PWs) bands (ev): -31.9108 -31.9108 -13.1922 -13.1922 -12.8316 -12.8316 -12.7942 -12.7942 -1.6599 -1.6599 0.8374 0.8374 1.3700 1.3700 1.3924 1.3924 1.4502 1.4502 1.6259 1.6259 1.8652 1.8652 1.9314 1.9314 2.0175 2.0175 2.0862 2.0862 2.2205 2.2205 3.4259 3.4259 3.7297 3.7297 6.8264 6.8264 7.1709 7.1709 8.1903 8.1903 8.3986 8.3986 10.0699 10.0699 10.1580 10.1580 11.1998 11.1998 12.2387 12.2387 k = 0.0000 0.0000 0.1710 ( 3272 PWs) bands (ev): -31.9108 -31.9108 -13.1925 -13.1925 -12.8318 -12.8318 -12.7949 -12.7949 -1.6391 -1.6391 0.8411 0.8411 1.3709 1.3709 1.3988 1.3988 1.4522 1.4522 1.6270 1.6270 1.8612 1.8612 1.9298 1.9298 2.0160 2.0160 2.0822 2.0822 2.2131 2.2131 3.4359 3.4359 3.7343 3.7343 6.7339 6.7339 7.1425 7.1425 8.1002 8.1002 8.3178 8.3178 10.1911 10.1911 10.3011 10.3011 11.2435 11.2435 12.2504 12.2504 k = 0.0000 0.0000 0.1900 ( 3286 PWs) bands (ev): -31.9107 -31.9107 -13.1929 -13.1929 -12.8320 -12.8320 -12.7957 -12.7957 -1.6160 -1.6160 0.8451 0.8451 1.3715 1.3715 1.4058 1.4058 1.4544 1.4544 1.6283 1.6283 1.8566 1.8566 1.9283 1.9283 2.0143 2.0143 2.0779 2.0779 2.2048 2.2048 3.4466 3.4466 3.7392 3.7392 6.6395 6.6395 7.1124 7.1124 8.0111 8.0111 8.2341 8.2341 10.3147 10.3147 10.4518 10.4518 11.2908 11.2908 12.2590 12.2590 k = 0.0000 0.0000 0.2090 ( 3294 PWs) bands (ev): -31.9106 -31.9106 -13.1933 -13.1933 -12.8322 -12.8322 -12.7966 -12.7966 -1.5906 -1.5906 0.8496 0.8496 1.3720 1.3720 1.4135 1.4135 1.4569 1.4569 1.6298 1.6298 1.8517 1.8517 1.9269 1.9269 2.0124 2.0124 2.0733 2.0733 2.1959 2.1959 3.4577 3.4577 3.7443 3.7443 6.5441 6.5441 7.0811 7.0811 7.9232 7.9232 8.1486 8.1486 10.4403 10.4403 10.6090 10.6090 11.3412 11.3412 12.2652 12.2652 k = 0.0000 0.0000 0.2280 ( 3294 PWs) bands (ev): -31.9105 -31.9105 -13.1937 -13.1937 -12.8325 -12.8325 -12.7974 -12.7974 -1.5630 -1.5630 0.8544 0.8544 1.3723 1.3723 1.4218 1.4218 1.4597 1.4597 1.6314 1.6314 1.8465 1.8465 1.9258 1.9258 2.0104 2.0104 2.0686 2.0686 2.1863 2.1863 3.4691 3.4691 3.7495 3.7495 6.4486 6.4486 7.0489 7.0489 7.8367 7.8367 8.0624 8.0624 10.5678 10.5678 10.7718 10.7718 11.3944 11.3944 12.2692 12.2693 k = 0.0000 0.0000 0.2470 ( 3294 PWs) bands (ev): -31.9105 -31.9105 -13.1942 -13.1942 -12.8327 -12.8327 -12.7984 -12.7984 -1.5333 -1.5333 0.8596 0.8596 1.3726 1.3726 1.4303 1.4303 1.4628 1.4628 1.6332 1.6332 1.8412 1.8412 1.9249 1.9249 2.0080 2.0080 2.0638 2.0638 2.1761 2.1761 3.4806 3.4806 3.7548 3.7548 6.3536 6.3536 7.0162 7.0162 7.7516 7.7516 7.9762 7.9762 10.6969 10.6969 10.9394 10.9394 11.4501 11.4501 12.2712 12.2712 k = 0.0000 0.0000 0.2660 ( 3294 PWs) bands (ev): -31.9104 -31.9104 -13.1946 -13.1946 -12.8330 -12.8330 -12.7994 -12.7994 -1.5015 -1.5015 0.8650 0.8650 1.3726 1.3726 1.4389 1.4389 1.4663 1.4663 1.6353 1.6353 1.8359 1.8359 1.9241 1.9241 2.0053 2.0053 2.0588 2.0588 2.1654 2.1654 3.4920 3.4920 3.7600 3.7600 6.2596 6.2596 6.9835 6.9835 7.6682 7.6682 7.8907 7.8907 10.8273 10.8273 11.1110 11.1110 11.5078 11.5078 12.2711 12.2711 k = 0.0000 0.0000 0.2850 ( 3298 PWs) bands (ev): -31.9103 -31.9103 -13.1951 -13.1951 -12.8332 -12.8332 -12.8004 -12.8004 -1.4677 -1.4677 0.8708 0.8708 1.3725 1.3725 1.4474 1.4474 1.4704 1.4704 1.6375 1.6375 1.8308 1.8308 1.9235 1.9235 2.0023 2.0023 2.0537 2.0537 2.1543 2.1543 3.5031 3.5031 3.7651 3.7651 6.1671 6.1671 6.9512 6.9512 7.5865 7.5865 7.8066 7.8066 10.9589 10.9589 11.2860 11.2860 11.5672 11.5672 12.2685 12.2685 k = 0.0000 0.0000 0.3040 ( 3298 PWs) bands (ev): -31.9102 -31.9102 -13.1957 -13.1957 -12.8335 -12.8335 -12.8015 -12.8015 -1.4319 -1.4319 0.8769 0.8769 1.3723 1.3723 1.4554 1.4554 1.4753 1.4753 1.6398 1.6398 1.8261 1.8261 1.9229 1.9229 1.9989 1.9989 2.0486 2.0486 2.1429 2.1429 3.5138 3.5138 3.7698 3.7698 6.0762 6.0762 6.9195 6.9195 7.5064 7.5064 7.7243 7.7243 11.0914 11.0914 11.4637 11.4637 11.6280 11.6280 12.2634 12.2634 k = 0.0000 0.0000 0.3230 ( 3298 PWs) bands (ev): -31.9101 -31.9101 -13.1962 -13.1962 -12.8338 -12.8338 -12.8026 -12.8026 -1.3944 -1.3944 0.8832 0.8832 1.3718 1.3718 1.4626 1.4626 1.4811 1.4811 1.6424 1.6424 1.8218 1.8218 1.9225 1.9225 1.9949 1.9949 2.0436 2.0436 2.1314 2.1314 3.5238 3.5238 3.7743 3.7743 5.9874 5.9874 6.8889 6.8889 7.4281 7.4281 7.6443 7.6443 11.2246 11.2246 11.6432 11.6432 11.6901 11.6901 12.2555 12.2555 k = 0.0000 0.0000 0.3420 ( 3286 PWs) bands (ev): -31.9099 -31.9099 -13.1967 -13.1967 -12.8341 -12.8341 -12.8038 -12.8038 -1.3551 -1.3551 0.8897 0.8897 1.3713 1.3713 1.4689 1.4689 1.4878 1.4878 1.6452 1.6452 1.8183 1.8183 1.9221 1.9221 1.9903 1.9903 2.0387 2.0387 2.1200 2.1200 3.5331 3.5331 3.7783 3.7783 5.9007 5.9007 6.8598 6.8598 7.3516 7.3516 7.5669 7.5669 11.3584 11.3584 11.7527 11.7527 11.8242 11.8242 12.2444 12.2444 k = 0.0000 0.0000 0.3610 ( 3278 PWs) bands (ev): -31.9098 -31.9098 -13.1973 -13.1973 -12.8343 -12.8343 -12.8049 -12.8049 -1.3141 -1.3141 0.8964 0.8964 1.3705 1.3705 1.4745 1.4745 1.4951 1.4951 1.6481 1.6481 1.8156 1.8156 1.9217 1.9217 1.9849 1.9849 2.0340 2.0340 2.1088 2.1088 3.5413 3.5413 3.7817 3.7817 5.8164 5.8164 6.8324 6.8324 7.2769 7.2769 7.4925 7.4925 11.4923 11.4923 11.8161 11.8161 12.0048 12.0048 12.2297 12.2297 k = 0.0000 0.0000 0.3800 ( 3274 PWs) bands (ev): -31.9097 -31.9097 -13.1978 -13.1978 -12.8346 -12.8346 -12.8061 -12.8061 -1.2716 -1.2716 0.9032 0.9032 1.3695 1.3695 1.4796 1.4796 1.5026 1.5026 1.6513 1.6513 1.8138 1.8138 1.9214 1.9214 1.9785 1.9785 2.0295 2.0295 2.0981 2.0981 3.5485 3.5485 3.7845 3.7845 5.7346 5.7346 6.8070 6.8070 7.2041 7.2041 7.4210 7.4210 11.6261 11.6261 11.8796 11.8796 12.1838 12.1838 12.2110 12.2110 k = 0.0000 0.0000 0.3990 ( 3266 PWs) bands (ev): -31.9096 -31.9096 -13.1984 -13.1984 -12.8349 -12.8349 -12.8074 -12.8074 -1.2277 -1.2277 0.9102 0.9102 1.3684 1.3684 1.4847 1.4847 1.5097 1.5097 1.6546 1.6546 1.8131 1.8131 1.9210 1.9210 1.9711 1.9711 2.0254 2.0254 2.0881 2.0881 3.5543 3.5543 3.7866 3.7866 5.6554 5.6554 6.7840 6.7840 7.1330 7.1330 7.3527 7.3527 11.7595 11.7595 11.9428 11.9428 12.1845 12.1845 12.3596 12.3596 k = 0.0000 0.0000 0.4180 ( 3274 PWs) bands (ev): -31.9095 -31.9095 -13.1990 -13.1990 -12.8352 -12.8352 -12.8086 -12.8086 -1.1826 -1.1826 0.9172 0.9172 1.3671 1.3671 1.4896 1.4896 1.5163 1.5163 1.6580 1.6580 1.8134 1.8134 1.9206 1.9206 1.9625 1.9625 2.0217 2.0217 2.0788 2.0788 3.5586 3.5586 3.7881 3.7881 5.5789 5.5789 6.7635 6.7635 7.0639 7.0639 7.2876 7.2876 11.8920 11.8920 12.0050 12.0050 12.1304 12.1304 12.2454 12.2454 k = 0.0000 0.0000 0.4370 ( 3282 PWs) bands (ev): -31.9093 -31.9093 -13.1997 -13.1997 -12.8355 -12.8355 -12.8099 -12.8099 -1.1363 -1.1363 0.9241 0.9241 1.3658 1.3658 1.4947 1.4947 1.5220 1.5220 1.6617 1.6617 1.8147 1.8147 1.9203 1.9203 1.9529 1.9529 2.0184 2.0184 2.0706 2.0706 3.5614 3.5614 3.7888 3.7888 5.5051 5.5051 6.7458 6.7458 6.9966 6.9966 7.2256 7.2256 11.9910 11.9910 12.0239 12.0239 12.0654 12.0654 12.1747 12.1747 k = 0.0000 0.0000 0.4560 ( 3282 PWs) bands (ev): -31.9092 -31.9092 -13.2003 -13.2003 -12.8358 -12.8358 -12.8112 -12.8112 -1.0890 -1.0890 0.9311 0.9311 1.3643 1.3643 1.4999 1.4999 1.5269 1.5269 1.6656 1.6656 1.8171 1.8171 1.9200 1.9200 1.9424 1.9424 2.0154 2.0154 2.0634 2.0634 3.5626 3.5626 3.7887 3.7887 5.4341 5.4341 6.7312 6.7312 6.9312 6.9312 7.1666 7.1666 11.8198 11.8198 12.1195 12.1195 12.1403 12.1403 12.1542 12.1542 k = 0.0000 0.0000 0.4750 ( 3278 PWs) bands (ev): -31.9091 -31.9091 -13.2009 -13.2009 -12.8361 -12.8361 -12.8125 -12.8125 -1.0408 -1.0408 0.9381 0.9381 1.3629 1.3629 1.5052 1.5052 1.5309 1.5309 1.6697 1.6697 1.8203 1.8203 1.9197 1.9197 1.9315 1.9315 2.0129 2.0129 2.0572 2.0572 3.5620 3.5620 3.7880 3.7880 5.3659 5.3659 6.7196 6.7196 6.8677 6.8677 7.1104 7.1104 11.6471 11.6471 12.1047 12.1047 12.1750 12.1750 12.2804 12.2804 k = 0.0000 0.0000 0.4941 ( 3274 PWs) bands (ev): -31.9090 -31.9090 -13.2016 -13.2016 -12.8364 -12.8364 -12.8138 -12.8138 -0.9920 -0.9920 0.9449 0.9449 1.3614 1.3614 1.5106 1.5106 1.5341 1.5341 1.6737 1.6737 1.8243 1.8243 1.9185 1.9185 1.9213 1.9213 2.0108 2.0108 2.0521 2.0521 3.5596 3.5596 3.7867 3.7867 5.3005 5.3005 6.7113 6.7113 6.8062 6.8062 7.0565 7.0565 11.4788 11.4788 12.0730 12.0730 12.2138 12.2138 12.4048 12.4048 k = 0.0000 0.0000 0.5131 ( 3270 PWs) bands (ev): -31.9088 -31.9088 -13.2022 -13.2022 -12.8366 -12.8366 -12.8150 -12.8150 -0.9427 -0.9427 0.9516 0.9516 1.3600 1.3600 1.5160 1.5160 1.5366 1.5366 1.6776 1.6776 1.8286 1.8286 1.9086 1.9086 1.9202 1.9202 2.0090 2.0090 2.0479 2.0479 3.5554 3.5554 3.7849 3.7849 5.2379 5.2379 6.7057 6.7057 6.7473 6.7473 7.0047 7.0047 11.3166 11.3166 12.0401 12.0401 12.2316 12.2316 12.5257 12.5257 k = 0.0000 0.0000 0.5321 ( 3268 PWs) bands (ev): -31.9087 -31.9087 -13.2028 -13.2028 -12.8369 -12.8369 -12.8163 -12.8163 -0.8932 -0.8932 0.9580 0.9580 1.3586 1.3586 1.5210 1.5210 1.5387 1.5387 1.6811 1.6811 1.8331 1.8331 1.8980 1.8980 1.9207 1.9207 2.0075 2.0075 2.0446 2.0446 3.5493 3.5493 3.7827 3.7827 5.1781 5.1781 6.6852 6.6852 6.7087 6.7087 6.9543 6.9543 11.1616 11.1616 12.0062 12.0062 12.2155 12.2155 12.6423 12.6423 k = 0.0000 0.0000 0.5511 ( 3268 PWs) bands (ev): -31.9086 -31.9086 -13.2034 -13.2034 -12.8372 -12.8372 -12.8175 -12.8175 -0.8435 -0.8435 0.9642 0.9642 1.3574 1.3574 1.5250 1.5250 1.5413 1.5413 1.6842 1.6842 1.8372 1.8372 1.8884 1.8884 1.9219 1.9219 2.0064 2.0064 2.0422 2.0422 3.5414 3.5414 3.7803 3.7803 5.1211 5.1211 6.6313 6.6313 6.7089 6.7089 6.9050 6.9050 11.0147 11.0147 11.9713 11.9713 12.1589 12.1589 12.7534 12.7534 k = 0.0000 0.0000 0.5701 ( 3260 PWs) bands (ev): -31.9084 -31.9084 -13.2040 -13.2040 -12.8374 -12.8374 -12.8187 -12.8187 -0.7939 -0.7939 0.9701 0.9701 1.3562 1.3562 1.5272 1.5272 1.5451 1.5451 1.6868 1.6868 1.8404 1.8404 1.8804 1.8804 1.9239 1.9239 2.0057 2.0057 2.0406 2.0406 3.5318 3.5318 3.7780 3.7780 5.0668 5.0668 6.5777 6.5777 6.7142 6.7142 6.8560 6.8560 10.8767 10.8767 11.9358 11.9358 12.0699 12.0699 12.7998 12.7998 k = 0.0000 0.0000 0.5891 ( 3268 PWs) bands (ev): -31.9083 -31.9083 -13.2046 -13.2046 -12.8377 -12.8377 -12.8200 -12.8200 -0.7446 -0.7446 0.9757 0.9757 1.3553 1.3553 1.5272 1.5272 1.5505 1.5505 1.6887 1.6887 1.8420 1.8420 1.8743 1.8743 1.9267 1.9267 2.0052 2.0052 2.0397 2.0397 3.5204 3.5204 3.7759 3.7759 5.0152 5.0152 6.5258 6.5258 6.7231 6.7231 6.8069 6.8069 10.7484 10.7484 11.8995 11.8995 11.9612 11.9612 12.8465 12.8465 k = 0.0000 0.0000 0.6081 ( 3272 PWs) bands (ev): -31.9082 -31.9082 -13.2053 -13.2053 -12.8379 -12.8379 -12.8212 -12.8212 -0.6959 -0.6959 0.9809 0.9809 1.3546 1.3546 1.5254 1.5254 1.5571 1.5571 1.6900 1.6900 1.8419 1.8419 1.8705 1.8705 1.9307 1.9307 2.0052 2.0052 2.0396 2.0396 3.5075 3.5075 3.7743 3.7743 4.9664 4.9664 6.4758 6.4758 6.7340 6.7340 6.7580 6.7580 10.6305 10.6305 11.8425 11.8425 11.8627 11.8627 12.9062 12.9062 k = 0.0000 0.0000 0.6271 ( 3276 PWs) bands (ev): -31.9081 -31.9081 -13.2059 -13.2059 -12.8382 -12.8382 -12.8223 -12.8223 -0.6479 -0.6479 0.9857 0.9857 1.3541 1.3541 1.5222 1.5222 1.5645 1.5645 1.6911 1.6911 1.8404 1.8404 1.8685 1.8685 1.9356 1.9356 2.0056 2.0056 2.0401 2.0401 3.4930 3.4930 3.7735 3.7735 4.9201 4.9201 6.4278 6.4278 6.7029 6.7029 6.7529 6.7529 10.5236 10.5236 11.7190 11.7190 11.8254 11.8254 12.9738 12.9738 k = 0.0000 0.0000 0.6461 ( 3272 PWs) bands (ev): -31.9080 -31.9080 -13.2064 -13.2064 -12.8384 -12.8384 -12.8235 -12.8235 -0.6009 -0.6009 0.9902 0.9902 1.3538 1.3538 1.5178 1.5178 1.5725 1.5725 1.6920 1.6920 1.8382 1.8382 1.8676 1.8676 1.9414 1.9414 2.0064 2.0064 2.0413 2.0413 3.4772 3.4772 3.7738 3.7738 4.8765 4.8765 6.3818 6.3818 6.6491 6.6491 6.7713 6.7713 10.4284 10.4284 11.5937 11.5937 11.7876 11.7876 13.0469 13.0469 k = 0.0000 0.0000 0.6651 ( 3264 PWs) bands (ev): -31.9078 -31.9078 -13.2069 -13.2069 -12.8386 -12.8386 -12.8245 -12.8245 -0.5551 -0.5551 0.9943 0.9943 1.3539 1.3539 1.5122 1.5122 1.5809 1.5809 1.6933 1.6933 1.8359 1.8359 1.8669 1.8669 1.9479 1.9479 2.0075 2.0075 2.0431 2.0431 3.4603 3.4603 3.7754 3.7754 4.8354 4.8354 6.3379 6.3379 6.5920 6.5920 6.7931 6.7931 10.3451 10.3451 11.4685 11.4685 11.7495 11.7495 13.1240 13.1240 k = 0.0000 0.0000 0.6841 ( 3260 PWs) bands (ev): -31.9077 -31.9077 -13.2075 -13.2075 -12.8388 -12.8388 -12.8256 -12.8256 -0.5107 -0.5107 0.9980 0.9980 1.3542 1.3542 1.5054 1.5054 1.5897 1.5897 1.6951 1.6951 1.8339 1.8339 1.8662 1.8662 1.9547 1.9547 2.0091 2.0091 2.0454 2.0454 3.4424 3.4424 3.7788 3.7788 4.7968 4.7968 6.2960 6.2960 6.5316 6.5316 6.8177 6.8177 10.2743 10.2743 11.3444 11.3444 11.7109 11.7109 13.2039 13.2039 k = 0.0000 0.0000 0.7031 ( 3254 PWs) bands (ev): -31.9076 -31.9076 -13.2080 -13.2080 -12.8389 -12.8389 -12.8265 -12.8265 -0.4679 -0.4679 1.0013 1.0013 1.3548 1.3548 1.4976 1.4976 1.5989 1.5989 1.6976 1.6976 1.8321 1.8321 1.8654 1.8654 1.9616 1.9616 2.0110 2.0110 2.0483 2.0483 3.4237 3.4237 3.7842 3.7842 4.7607 4.7607 6.2562 6.2562 6.4676 6.4676 6.8448 6.8448 10.2160 10.2160 11.2223 11.2223 11.6718 11.6718 13.2563 13.2563 k = 0.0000 0.0000 0.7221 ( 3260 PWs) bands (ev): -31.9075 -31.9075 -13.2085 -13.2085 -12.8391 -12.8391 -12.8275 -12.8275 -0.4269 -0.4269 1.0041 1.0041 1.3555 1.3555 1.4888 1.4888 1.6084 1.6084 1.7010 1.7010 1.8304 1.8304 1.8644 1.8644 1.9684 1.9684 2.0133 2.0133 2.0515 2.0515 3.4043 3.4043 3.7919 3.7919 4.7269 4.7269 6.2184 6.2184 6.3999 6.3999 6.8742 6.8742 10.1703 10.1703 11.1029 11.1029 11.6322 11.6322 13.2517 13.2517 k = 0.0000 0.0000 0.7411 ( 3260 PWs) bands (ev): -31.9074 -31.9074 -13.2090 -13.2090 -12.8393 -12.8393 -12.8284 -12.8284 -0.3879 -0.3879 1.0066 1.0066 1.3566 1.3566 1.4793 1.4793 1.6182 1.6182 1.7053 1.7053 1.8290 1.8290 1.8633 1.8633 1.9750 1.9750 2.0158 2.0158 2.0550 2.0550 3.3846 3.3846 3.8021 3.8021 4.6955 4.6955 6.1828 6.1828 6.3287 6.3287 6.9055 6.9055 10.1368 10.1368 10.9867 10.9867 11.5920 11.5920 13.2460 13.2460 k = 0.0000 0.0000 0.7601 ( 3256 PWs) bands (ev): -31.9073 -31.9073 -13.2094 -13.2094 -12.8395 -12.8395 -12.8293 -12.8293 -0.3510 -0.3510 1.0088 1.0088 1.3578 1.3578 1.4694 1.4694 1.6282 1.6282 1.7106 1.7106 1.8275 1.8275 1.8621 1.8621 1.9814 1.9814 2.0187 2.0187 2.0587 2.0587 3.3647 3.3647 3.8151 3.8151 4.6664 4.6664 6.1493 6.1493 6.2541 6.2541 6.9384 6.9384 10.1154 10.1154 10.8742 10.8742 11.5510 11.5510 13.2400 13.2400 k = 0.0000 0.0000 0.7791 ( 3256 PWs) bands (ev): -31.9072 -31.9072 -13.2098 -13.2098 -12.8396 -12.8396 -12.8301 -12.8301 -0.3164 -0.3164 1.0106 1.0106 1.3592 1.3592 1.4593 1.4593 1.6383 1.6383 1.7168 1.7168 1.8260 1.8260 1.8607 1.8607 1.9875 1.9875 2.0218 2.0218 2.0623 2.0623 3.3448 3.3448 3.8310 3.8310 4.6395 4.6395 6.1180 6.1180 6.1767 6.1767 6.9726 6.9726 10.1053 10.1053 10.7658 10.7658 11.5091 11.5091 13.2339 13.2339 k = 0.0000 0.0000 0.7981 ( 3260 PWs) bands (ev): -31.9071 -31.9071 -13.2102 -13.2102 -12.8397 -12.8397 -12.8309 -12.8309 -0.2842 -0.2842 1.0122 1.0122 1.3606 1.3606 1.4490 1.4490 1.6485 1.6485 1.7236 1.7236 1.8244 1.8244 1.8592 1.8592 1.9933 1.9933 2.0250 2.0250 2.0657 2.0657 3.3252 3.3252 3.8498 3.8498 4.6148 4.6148 6.0882 6.0882 6.0977 6.0977 7.0076 7.0076 10.1060 10.1060 10.6620 10.6620 11.4662 11.4662 13.2277 13.2277 k = 0.0000 0.0000 0.8171 ( 3260 PWs) bands (ev): -31.9071 -31.9071 -13.2106 -13.2106 -12.8399 -12.8399 -12.8316 -12.8316 -0.2545 -0.2545 1.0135 1.0135 1.3622 1.3622 1.4389 1.4389 1.6586 1.6586 1.7310 1.7310 1.8229 1.8229 1.8575 1.8575 1.9988 1.9988 2.0283 2.0283 2.0688 2.0688 3.3061 3.3061 3.8716 3.8716 4.5923 4.5923 6.0154 6.0154 6.0623 6.0623 7.0430 7.0430 10.1166 10.1166 10.5634 10.5634 11.4223 11.4223 13.2218 13.2218 k = 0.0000 0.0000 0.8361 ( 3264 PWs) bands (ev): -31.9070 -31.9070 -13.2109 -13.2109 -12.8400 -12.8400 -12.8322 -12.8322 -0.2274 -0.2274 1.0145 1.0145 1.3638 1.3638 1.4292 1.4292 1.6685 1.6685 1.7389 1.7389 1.8212 1.8212 1.8556 1.8556 2.0041 2.0041 2.0317 2.0317 2.0713 2.0713 3.2877 3.2877 3.8963 3.8963 4.5719 4.5719 5.9337 5.9337 6.0376 6.0376 7.0782 7.0782 10.1361 10.1361 10.4704 10.4704 11.3770 11.3770 13.2161 13.2161 k = 0.0000 0.0000 0.8551 ( 3262 PWs) bands (ev): -31.9069 -31.9069 -13.2113 -13.2113 -12.8401 -12.8401 -12.8328 -12.8328 -0.2028 -0.2028 1.0153 1.0153 1.3653 1.3653 1.4200 1.4200 1.6782 1.6782 1.7472 1.7472 1.8196 1.8196 1.8535 1.8535 2.0093 2.0093 2.0351 2.0351 2.0733 2.0733 3.2702 3.2702 3.9234 3.9234 4.5535 4.5535 5.8523 5.8523 6.0152 6.0152 7.1128 7.1128 10.1635 10.1635 10.3836 10.3836 11.3306 11.3306 13.2107 13.2107 k = 0.0000 0.0000 0.8741 ( 3256 PWs) bands (ev): -31.9069 -31.9069 -13.2115 -13.2115 -12.8401 -12.8401 -12.8333 -12.8333 -0.1809 -0.1809 1.0160 1.0160 1.3669 1.3669 1.4114 1.4114 1.6874 1.6874 1.7557 1.7557 1.8181 1.8181 1.8512 1.8512 2.0144 2.0144 2.0384 2.0384 2.0746 2.0746 3.2539 3.2539 3.9527 3.9527 4.5372 4.5372 5.7725 5.7725 5.9951 5.9951 7.1462 7.1462 10.1977 10.1977 10.3035 10.3035 11.2829 11.2829 13.2058 13.2058 k = 0.0000 0.0000 0.8931 ( 3260 PWs) bands (ev): -31.9068 -31.9068 -13.2118 -13.2118 -12.8402 -12.8402 -12.8338 -12.8338 -0.1616 -0.1616 1.0166 1.0166 1.3683 1.3683 1.4035 1.4035 1.6960 1.6960 1.7641 1.7641 1.8165 1.8165 1.8485 1.8485 2.0193 2.0193 2.0415 2.0415 2.0751 2.0751 3.2390 3.2390 3.9835 3.9835 4.5228 4.5228 5.6956 5.6956 5.9773 5.9773 7.1778 7.1778 10.2300 10.2300 10.2381 10.2381 11.2341 11.2341 13.2013 13.2013 k = 0.0000 0.0000 0.9121 ( 3260 PWs) bands (ev): -31.9068 -31.9068 -13.2120 -13.2120 -12.8403 -12.8403 -12.8342 -12.8342 -0.1450 -0.1450 1.0170 1.0170 1.3696 1.3696 1.3966 1.3966 1.7038 1.7038 1.7725 1.7725 1.8150 1.8150 1.8455 1.8455 2.0242 2.0242 2.0443 2.0443 2.0749 2.0749 3.2256 3.2256 4.0147 4.0147 4.5105 4.5105 5.6231 5.6231 5.9619 5.9619 7.2069 7.2069 10.1659 10.1659 10.2812 10.2812 11.1848 11.1848 13.1973 13.1973 k = 0.0000 0.0000 0.9311 ( 3264 PWs) bands (ev): -31.9067 -31.9067 -13.2122 -13.2122 -12.8404 -12.8404 -12.8346 -12.8346 -0.1310 -0.1310 1.0173 1.0173 1.3707 1.3707 1.3906 1.3906 1.7107 1.7107 1.7808 1.7808 1.8137 1.8137 1.8421 1.8421 2.0289 2.0289 2.0469 2.0469 2.0740 2.0740 3.2139 3.2139 4.0454 4.0454 4.5001 4.5001 5.5567 5.5567 5.9488 5.9488 7.2329 7.2329 10.1097 10.1097 10.3273 10.3273 11.1356 11.1356 13.1938 13.1938 k = 0.0000 0.0000 0.9501 ( 3256 PWs) bands (ev): -31.9067 -31.9067 -13.2123 -13.2123 -12.8404 -12.8404 -12.8349 -12.8349 -0.1195 -0.1195 1.0176 1.0176 1.3717 1.3717 1.3856 1.3856 1.7167 1.7167 1.7887 1.7887 1.8125 1.8125 1.8383 1.8383 2.0335 2.0335 2.0491 2.0491 2.0726 2.0726 3.2041 3.2041 4.0740 4.0740 4.4916 4.4916 5.4982 5.4982 5.9380 5.9380 7.2553 7.2553 10.0627 10.0627 10.3737 10.3737 11.0879 11.0879 13.1910 13.1910 k = 0.0000 0.0000 0.9691 ( 3248 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8404 -12.8404 -12.8351 -12.8351 -0.1106 -0.1106 1.0178 1.0178 1.3726 1.3726 1.3816 1.3816 1.7215 1.7215 1.7962 1.7962 1.8117 1.8117 1.8341 1.8341 2.0377 2.0377 2.0508 2.0508 2.0708 2.0708 3.1964 3.1964 4.0990 4.0990 4.4850 4.4850 5.4497 5.4497 5.9297 5.9297 7.2733 7.2733 10.0255 10.0255 10.4174 10.4174 11.0439 11.0439 13.1887 13.1887 k = 0.0000 0.0000 0.9881 ( 3250 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8352 -12.8352 -0.1043 -0.1043 1.0179 1.0179 1.3732 1.3732 1.3787 1.3787 1.7250 1.7250 1.8028 1.8028 1.8114 1.8114 1.8294 1.8294 2.0414 2.0414 2.0520 2.0520 2.0688 2.0688 3.1908 3.1908 4.1185 4.1185 4.4803 4.4803 5.4132 5.4132 5.9237 5.9237 7.2866 7.2866 9.9985 9.9985 10.4546 10.4546 11.0069 11.0069 13.1870 13.1870 k = 0.0000 0.0000 1.0071 ( 3246 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.1005 -0.1005 1.0180 1.0180 1.3736 1.3736 1.3769 1.3769 1.7271 1.7271 1.8070 1.8070 1.8132 1.8132 1.8245 1.8245 2.0440 2.0440 2.0528 2.0528 2.0672 2.0672 3.1874 3.1874 4.1310 4.1310 4.4774 4.4774 5.3904 5.3904 5.9201 5.9201 7.2948 7.2948 9.9821 9.9821 10.4803 10.4803 10.9814 10.9814 13.1860 13.1860 k = 0.0000 0.0000 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0180 1.0180 1.3738 1.3738 1.3763 1.3763 1.7278 1.7278 1.8079 1.8079 1.8164 1.8164 1.8208 1.8208 2.0451 2.0451 2.0530 2.0530 2.0665 2.0665 3.1862 3.1862 4.1353 4.1353 4.4765 4.4765 5.3827 5.3827 5.9189 5.9189 7.2975 7.2975 9.9766 9.9766 10.4897 10.4897 10.9722 10.9722 13.1857 13.1857 k = 0.0000 0.0000 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0180 1.0180 1.3738 1.3738 1.3763 1.3763 1.7278 1.7278 1.8079 1.8079 1.8164 1.8164 1.8208 1.8208 2.0451 2.0451 2.0530 2.0530 2.0665 2.0665 3.1862 3.1862 4.1353 4.1353 4.4765 4.4765 5.3827 5.3827 5.9189 5.9189 7.2975 7.2975 9.9766 9.9766 10.4897 10.4897 10.9722 10.9722 13.1857 13.1857 k =-0.0086 0.0155 1.0261 ( 3244 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0171 1.0171 1.3742 1.3742 1.3764 1.3764 1.7274 1.7274 1.8079 1.8079 1.8160 1.8160 1.8213 1.8213 2.0446 2.0446 2.0530 2.0530 2.0670 2.0670 3.1764 3.1764 4.1360 4.1360 4.4890 4.4890 5.3796 5.3796 5.9222 5.9222 7.2989 7.2989 9.9764 9.9764 10.4900 10.4900 10.9742 10.9742 13.1883 13.1883 k =-0.0173 0.0310 1.0261 ( 3244 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8352 -12.8352 -0.0995 -0.0995 1.0147 1.0147 1.3755 1.3755 1.3766 1.3766 1.7261 1.7261 1.8081 1.8081 1.8151 1.8151 1.8224 1.8224 2.0434 2.0434 2.0529 2.0529 2.0685 2.0685 3.1480 3.1480 4.1380 4.1380 4.5253 4.5253 5.3708 5.3708 5.9320 5.9320 7.3032 7.3032 9.9758 9.9758 10.4911 10.4911 10.9804 10.9804 13.1960 13.1960 k =-0.0259 0.0465 1.0261 ( 3244 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8404 -12.8404 -12.8351 -12.8351 -0.0998 -0.0998 1.0107 1.0107 1.3764 1.3764 1.3782 1.3782 1.7240 1.7240 1.8082 1.8082 1.8142 1.8142 1.8237 1.8237 2.0415 2.0415 2.0526 2.0526 2.0706 2.0706 3.1040 3.1040 4.1415 4.1415 4.5825 4.5825 5.3567 5.3567 5.9478 5.9478 7.3103 7.3103 9.9747 9.9747 10.4929 10.4929 10.9903 10.9903 13.2077 13.2077 k =-0.0346 0.0620 1.0261 ( 3250 PWs) bands (ev): -31.9067 -31.9067 -13.2123 -13.2123 -12.8404 -12.8404 -12.8349 -12.8349 -0.1002 -0.1002 1.0049 1.0049 1.3766 1.3766 1.3814 1.3814 1.7212 1.7212 1.8078 1.8078 1.8138 1.8138 1.8252 1.8252 2.0392 2.0392 2.0523 2.0523 2.0732 2.0732 3.0480 3.0480 4.1464 4.1464 4.6570 4.6570 5.3383 5.3383 5.9686 5.9686 7.3202 7.3202 9.9734 9.9734 10.4954 10.4954 11.0035 11.0035 13.2000 13.2000 k =-0.0432 0.0775 1.0261 ( 3258 PWs) bands (ev): -31.9067 -31.9067 -13.2122 -13.2122 -12.8404 -12.8404 -12.8347 -12.8347 -0.1008 -0.1008 0.9973 0.9973 1.3768 1.3768 1.3856 1.3856 1.7178 1.7178 1.8065 1.8065 1.8141 1.8141 1.8267 1.8267 2.0364 2.0364 2.0519 2.0519 2.0762 2.0762 2.9835 2.9835 4.1527 4.1527 4.7453 4.7453 5.3164 5.3164 5.9939 5.9939 7.3330 7.3330 9.9718 9.9718 10.4986 10.4986 11.0195 11.0195 13.1780 13.1780 k =-0.0519 0.0930 1.0261 ( 3262 PWs) bands (ev): -31.9067 -31.9067 -13.2121 -13.2121 -12.8404 -12.8404 -12.8344 -12.8344 -0.1015 -0.1015 0.9879 0.9879 1.3770 1.3770 1.3906 1.3906 1.7140 1.7140 1.8046 1.8046 1.8149 1.8149 1.8282 1.8282 2.0335 2.0335 2.0514 2.0514 2.0795 2.0795 2.9135 2.9135 4.1605 4.1605 4.8445 4.8445 5.2921 5.2921 6.0229 6.0229 7.3486 7.3486 9.9701 9.9701 10.5026 10.5026 11.0374 11.0374 13.1535 13.1535 k =-0.0605 0.1085 1.0261 ( 3262 PWs) bands (ev): -31.9068 -31.9068 -13.2119 -13.2119 -12.8403 -12.8403 -12.8341 -12.8341 -0.1025 -0.1025 0.9766 0.9766 1.3773 1.3773 1.3965 1.3965 1.7097 1.7097 1.8023 1.8023 1.8161 1.8161 1.8297 1.8297 2.0303 2.0303 2.0509 2.0509 2.0830 2.0830 2.8404 2.8404 4.1698 4.1698 4.9523 4.9523 5.2661 5.2661 6.0550 6.0550 7.3669 7.3669 9.9683 9.9683 10.5074 10.5074 11.0562 11.0562 13.1286 13.1286 k =-0.0692 0.1240 1.0261 ( 3258 PWs) bands (ev): -31.9068 -31.9068 -13.2117 -13.2117 -12.8403 -12.8403 -12.8336 -12.8336 -0.1036 -0.1036 0.9633 0.9633 1.3777 1.3777 1.4031 1.4031 1.7053 1.7053 1.7997 1.7997 1.8174 1.8174 1.8312 1.8312 2.0270 2.0270 2.0503 2.0503 2.0867 2.0867 2.7659 2.7659 4.1806 4.1806 5.0670 5.0670 5.2391 5.2391 6.0898 6.0898 7.3880 7.3880 9.9667 9.9667 10.5130 10.5130 11.0748 11.0748 13.1050 13.1050 k =-0.0778 0.1395 1.0261 ( 3254 PWs) bands (ev): -31.9069 -31.9069 -13.2115 -13.2115 -12.8402 -12.8402 -12.8332 -12.8332 -0.1050 -0.1050 0.9479 0.9479 1.3781 1.3781 1.4104 1.4104 1.7007 1.7007 1.7966 1.7966 1.8188 1.8188 1.8327 1.8327 2.0235 2.0235 2.0496 2.0496 2.0903 2.0903 2.6915 2.6915 4.1929 4.1929 5.1872 5.1872 5.2117 5.2117 6.1270 6.1270 7.4119 7.4119 9.9653 9.9653 10.5194 10.5194 11.0919 11.0919 13.0847 13.0847 k =-0.0778 0.1395 1.0261 ( 3254 PWs) bands (ev): -31.9069 -31.9069 -13.2115 -13.2115 -12.8402 -12.8402 -12.8332 -12.8332 -0.1050 -0.1050 0.9479 0.9479 1.3781 1.3781 1.4104 1.4104 1.7007 1.7007 1.7966 1.7966 1.8188 1.8188 1.8327 1.8327 2.0235 2.0235 2.0496 2.0496 2.0903 2.0903 2.6915 2.6915 4.1929 4.1929 5.1872 5.1872 5.2117 5.2117 6.1270 6.1270 7.4119 7.4119 9.9653 9.9653 10.5194 10.5194 11.0919 11.0919 13.0847 13.0847 k =-0.0844 0.1513 1.0126 ( 3258 PWs) bands (ev): -31.9069 -31.9069 -13.2113 -13.2113 -12.8402 -12.8402 -12.8328 -12.8328 -0.1069 -0.1069 0.9347 0.9347 1.3787 1.3787 1.4162 1.4162 1.6969 1.6969 1.7934 1.7934 1.8199 1.8199 1.8342 1.8342 2.0206 2.0206 2.0488 2.0488 2.0931 2.0931 2.6360 2.6360 4.1997 4.1997 5.1963 5.1963 5.2823 5.2823 6.1571 6.1571 7.4308 7.4308 9.9673 9.9673 10.5219 10.5219 11.1059 11.1059 13.0743 13.0743 k =-0.0910 0.1631 0.9990 ( 3260 PWs) bands (ev): -31.9070 -31.9070 -13.2111 -13.2111 -12.8402 -12.8402 -12.8322 -12.8322 -0.1099 -0.1099 0.9203 0.9203 1.3799 1.3799 1.4223 1.4223 1.6929 1.6929 1.7890 1.7890 1.8209 1.8209 1.8361 1.8361 2.0172 2.0172 2.0477 2.0477 2.0959 2.0959 2.5828 2.5828 4.1994 4.1994 5.1926 5.1926 5.3798 5.3798 6.1890 6.1890 7.4491 7.4491 9.9749 9.9749 10.5197 10.5197 11.1219 11.1219 13.0713 13.0713 k =-0.0976 0.1750 0.9855 ( 3265 PWs) bands (ev): -31.9070 -31.9070 -13.2108 -13.2108 -12.8403 -12.8403 -12.8316 -12.8316 -0.1141 -0.1141 0.9047 0.9047 1.3815 1.3815 1.4284 1.4284 1.6887 1.6887 1.7837 1.7837 1.8218 1.8218 1.8382 1.8382 2.0135 2.0135 2.0463 2.0463 2.0986 2.0986 2.5322 2.5322 4.1914 4.1914 5.2015 5.2015 5.4791 5.4791 6.2222 6.2222 7.4672 7.4672 9.9883 9.9883 10.5142 10.5142 11.1379 11.1379 13.0765 13.0765 k =-0.1042 0.1868 0.9720 ( 3263 PWs) bands (ev): -31.9071 -31.9071 -13.2105 -13.2105 -12.8404 -12.8404 -12.8309 -12.8309 -0.1192 -0.1192 0.8880 0.8880 1.3838 1.3838 1.4347 1.4347 1.6844 1.6844 1.7777 1.7777 1.8226 1.8226 1.8405 1.8405 2.0094 2.0094 2.0445 2.0445 2.1012 2.1012 2.4843 2.4843 4.1756 4.1756 5.2231 5.2231 5.5797 5.5797 6.2566 6.2566 7.4857 7.4857 10.0072 10.0072 10.5068 10.5068 11.1519 11.1519 13.0905 13.0905 k =-0.1108 0.1986 0.9584 ( 3257 PWs) bands (ev): -31.9072 -31.9072 -13.2102 -13.2102 -12.8405 -12.8405 -12.8300 -12.8300 -0.1254 -0.1254 0.8703 0.8703 1.3865 1.3865 1.4410 1.4410 1.6801 1.6801 1.7711 1.7711 1.8232 1.8232 1.8427 1.8427 2.0052 2.0052 2.0423 2.0423 2.1036 2.1036 2.4393 2.4393 4.1525 4.1525 5.2569 5.2569 5.6806 5.6806 6.2918 6.2918 7.5052 7.5052 10.0316 10.0316 10.4986 10.4986 11.1624 11.1624 13.1135 13.1135 k =-0.1174 0.2104 0.9449 ( 3269 PWs) bands (ev): -31.9072 -31.9072 -13.2100 -13.2100 -12.8407 -12.8407 -12.8292 -12.8292 -0.1324 -0.1324 0.8515 0.8515 1.3897 1.3897 1.4472 1.4472 1.6759 1.6759 1.7640 1.7640 1.8237 1.8237 1.8449 1.8449 2.0007 2.0007 2.0397 2.0397 2.1057 2.1057 2.3973 2.3973 4.1230 4.1230 5.3020 5.3020 5.7812 5.7812 6.3276 6.3276 7.5264 7.5264 10.0612 10.0612 10.4904 10.4904 11.1683 11.1683 13.1453 13.1453 k =-0.1240 0.2222 0.9313 ( 3271 PWs) bands (ev): -31.9073 -31.9073 -13.2097 -13.2097 -12.8409 -12.8409 -12.8282 -12.8282 -0.1402 -0.1402 0.8319 0.8319 1.3933 1.3933 1.4535 1.4535 1.6718 1.6718 1.7565 1.7565 1.8241 1.8241 1.8470 1.8470 1.9961 1.9961 2.0367 2.0367 2.1076 2.1076 2.3584 2.3584 4.0885 4.0885 5.3571 5.3571 5.8804 5.8804 6.3637 6.3637 7.5504 7.5504 10.0958 10.0958 10.4830 10.4830 11.1691 11.1691 13.1852 13.1852 k =-0.1306 0.2341 0.9178 ( 3269 PWs) bands (ev): -31.9074 -31.9074 -13.2093 -13.2093 -12.8412 -12.8412 -12.8271 -12.8271 -0.1486 -0.1486 0.8114 0.8114 1.3973 1.3973 1.4596 1.4596 1.6679 1.6679 1.7489 1.7489 1.8244 1.8244 1.8490 1.8490 1.9913 1.9913 2.0335 2.0335 2.1093 2.1093 2.3226 2.3226 4.0500 4.0500 5.4210 5.4210 5.9774 5.9774 6.3999 6.3999 7.5781 7.5781 10.1353 10.1353 10.4770 10.4770 11.1647 11.1647 13.2316 13.2316 k =-0.1372 0.2459 0.9043 ( 3267 PWs) bands (ev): -31.9075 -31.9075 -13.2090 -13.2090 -12.8414 -12.8414 -12.8259 -12.8259 -0.1577 -0.1577 0.7902 0.7902 1.4016 1.4016 1.4656 1.4656 1.6642 1.6642 1.7411 1.7411 1.8247 1.8247 1.8509 1.8509 1.9866 1.9866 2.0298 2.0298 2.1106 2.1106 2.2897 2.2897 4.0088 4.0088 5.4926 5.4926 6.0707 6.0707 6.4359 6.4359 7.6110 7.6110 10.1794 10.1794 10.4728 10.4728 11.1551 11.1551 13.2816 13.2816 k =-0.1438 0.2577 0.8907 ( 3273 PWs) bands (ev): -31.9076 -31.9076 -13.2086 -13.2086 -12.8418 -12.8418 -12.8247 -12.8247 -0.1671 -0.1671 0.7685 0.7685 1.4063 1.4063 1.4714 1.4714 1.6606 1.6606 1.7332 1.7332 1.8250 1.8250 1.8528 1.8528 1.9817 1.9817 2.0258 2.0258 2.1115 2.1115 2.2598 2.2598 3.9656 3.9656 5.5707 5.5707 6.1594 6.1594 6.4716 6.4716 7.6502 7.6502 10.2278 10.2278 10.4707 10.4707 11.1407 11.1407 13.3076 13.3081 k =-0.1504 0.2695 0.8772 ( 3273 PWs) bands (ev): -31.9077 -31.9077 -13.2083 -13.2083 -12.8421 -12.8421 -12.8235 -12.8235 -0.1770 -0.1770 0.7463 0.7463 1.4113 1.4113 1.4770 1.4770 1.6572 1.6572 1.7254 1.7254 1.8253 1.8253 1.8547 1.8547 1.9768 1.9768 2.0215 2.0215 2.1122 2.1122 2.2327 2.2327 3.9213 3.9213 5.6544 5.6544 6.2420 6.2420 6.5068 6.5068 7.6973 7.6973 10.2802 10.2802 10.4708 10.4708 11.1220 11.1220 13.2566 13.2566 k =-0.1570 0.2814 0.8637 ( 3274 PWs) bands (ev): -31.9077 -31.9077 -13.2080 -13.2080 -12.8424 -12.8424 -12.8222 -12.8222 -0.1871 -0.1871 0.7238 0.7238 1.4166 1.4166 1.4823 1.4823 1.6539 1.6539 1.7179 1.7179 1.8256 1.8256 1.8567 1.8567 1.9720 1.9720 2.0170 2.0170 2.1123 2.1123 2.2083 2.2083 3.8765 3.8765 5.7427 5.7427 6.3175 6.3175 6.5414 6.5414 7.7533 7.7533 10.3364 10.3364 10.4733 10.4733 11.0995 11.0995 13.1913 13.1913 k =-0.1636 0.2932 0.8501 ( 3274 PWs) bands (ev): -31.9078 -31.9078 -13.2076 -13.2076 -12.8427 -12.8427 -12.8209 -12.8209 -0.1973 -0.1973 0.7012 0.7012 1.4221 1.4221 1.4874 1.4874 1.6505 1.6505 1.7107 1.7107 1.8260 1.8260 1.8587 1.8587 1.9671 1.9671 2.0122 2.0122 2.1120 2.1120 2.1865 2.1865 3.8319 3.8319 5.8350 5.8350 6.3849 6.3849 6.5754 6.5754 7.8194 7.8194 10.3962 10.3962 10.4783 10.4783 11.0738 11.0738 13.1189 13.1189 k =-0.1702 0.3050 0.8366 ( 3270 PWs) bands (ev): -31.9079 -31.9079 -13.2073 -13.2073 -12.8431 -12.8431 -12.8196 -12.8196 -0.2077 -0.2077 0.6787 0.6787 1.4279 1.4279 1.4922 1.4922 1.6471 1.6471 1.7041 1.7041 1.8266 1.8266 1.8609 1.8609 1.9624 1.9624 2.0072 2.0072 2.1111 2.1111 2.1674 2.1674 3.7877 3.7877 5.9302 5.9302 6.4438 6.4438 6.6087 6.6087 7.8961 7.8961 10.4592 10.4592 10.4859 10.4859 11.0454 11.0454 13.0394 13.0394 k =-0.1768 0.3168 0.8231 ( 3269 PWs) bands (ev): -31.9080 -31.9080 -13.2069 -13.2069 -12.8434 -12.8434 -12.8183 -12.8183 -0.2180 -0.2180 0.6564 0.6564 1.4338 1.4338 1.4967 1.4967 1.6434 1.6434 1.6981 1.6981 1.8271 1.8271 1.8632 1.8632 1.9577 1.9577 2.0021 2.0021 2.1092 2.1092 2.1509 2.1509 3.7444 3.7444 6.0277 6.0277 6.4939 6.4939 6.6415 6.6415 7.9836 7.9836 10.4949 10.4949 10.5259 10.5259 11.0146 11.0146 12.9530 12.9530 k =-0.1834 0.3286 0.8095 ( 3273 PWs) bands (ev): -31.9081 -31.9081 -13.2066 -13.2066 -12.8438 -12.8438 -12.8169 -12.8169 -0.2283 -0.2283 0.6344 0.6344 1.4398 1.4398 1.5009 1.5009 1.6393 1.6393 1.6928 1.6928 1.8278 1.8278 1.8657 1.8657 1.9532 1.9532 1.9969 1.9969 2.1057 2.1057 2.1376 2.1376 3.7023 3.7023 6.1263 6.1263 6.5356 6.5356 6.6740 6.6740 8.0816 8.0816 10.5068 10.5068 10.5948 10.5948 10.9819 10.9819 12.8600 12.8600 k =-0.1900 0.3405 0.7960 ( 3272 PWs) bands (ev): -31.9082 -31.9082 -13.2063 -13.2063 -12.8441 -12.8441 -12.8157 -12.8157 -0.2383 -0.2383 0.6130 0.6130 1.4460 1.4460 1.5049 1.5049 1.6349 1.6349 1.6882 1.6882 1.8286 1.8286 1.8684 1.8684 1.9488 1.9488 1.9917 1.9917 2.1000 2.1000 2.1279 2.1279 3.6616 3.6616 6.2248 6.2248 6.5697 6.5697 6.7069 6.7069 8.1894 8.1894 10.5204 10.5204 10.6665 10.6665 10.9474 10.9474 12.7611 12.7611 k =-0.1966 0.3523 0.7824 ( 3272 PWs) bands (ev): -31.9083 -31.9083 -13.2060 -13.2060 -12.8444 -12.8444 -12.8144 -12.8144 -0.2481 -0.2481 0.5922 0.5922 1.4522 1.4522 1.5087 1.5087 1.6301 1.6301 1.6843 1.6843 1.8294 1.8294 1.8714 1.8714 1.9445 1.9445 1.9865 1.9865 2.0922 2.0922 2.1217 2.1217 3.6226 3.6226 6.3216 6.3216 6.5969 6.5969 6.7410 6.7410 8.3062 8.3062 10.5355 10.5355 10.7404 10.7404 10.9115 10.9115 12.6578 12.6578 k =-0.2032 0.3641 0.7689 ( 3274 PWs) bands (ev): -31.9084 -31.9084 -13.2058 -13.2058 -12.8448 -12.8448 -12.8132 -12.8132 -0.2575 -0.2575 0.5722 0.5722 1.4585 1.4585 1.5123 1.5123 1.6250 1.6250 1.6810 1.6810 1.8302 1.8302 1.8746 1.8746 1.9405 1.9405 1.9815 1.9815 2.0833 2.0833 2.1176 2.1176 3.5854 3.5854 6.4144 6.4144 6.6183 6.6183 6.7780 6.7780 8.4308 8.4308 10.5516 10.5516 10.8161 10.8161 10.8748 10.8748 12.5519 12.5519 k =-0.2098 0.3759 0.7554 ( 3273 PWs) bands (ev): -31.9084 -31.9084 -13.2055 -13.2055 -12.8451 -12.8451 -12.8120 -12.8120 -0.2666 -0.2666 0.5532 0.5532 1.4648 1.4648 1.5157 1.5157 1.6197 1.6197 1.6783 1.6783 1.8311 1.8311 1.8781 1.8781 1.9367 1.9367 1.9767 1.9767 2.0745 2.0745 2.1145 2.1145 3.5503 3.5503 6.4998 6.4998 6.6349 6.6349 6.8205 6.8205 8.5621 8.5621 10.5682 10.5682 10.8342 10.8342 10.8965 10.8965 12.4455 12.4455 k =-0.2164 0.3877 0.7418 ( 3275 PWs) bands (ev): -31.9085 -31.9085 -13.2052 -13.2052 -12.8454 -12.8454 -12.8109 -12.8109 -0.2751 -0.2751 0.5353 0.5353 1.4710 1.4710 1.5189 1.5189 1.6143 1.6143 1.6759 1.6759 1.8319 1.8319 1.8817 1.8817 1.9332 1.9332 1.9722 1.9722 2.0662 2.0662 2.1117 2.1117 3.5174 3.5174 6.5738 6.5738 6.6474 6.6474 6.8716 6.8716 8.6991 8.6991 10.5844 10.5844 10.7955 10.7955 10.9759 10.9759 12.3409 12.3409 k =-0.2230 0.3996 0.7283 ( 3271 PWs) bands (ev): -31.9086 -31.9086 -13.2050 -13.2050 -12.8456 -12.8456 -12.8098 -12.8098 -0.2831 -0.2831 0.5186 0.5186 1.4771 1.4771 1.5220 1.5220 1.6088 1.6088 1.6738 1.6738 1.8327 1.8327 1.8853 1.8853 1.9301 1.9301 1.9681 1.9681 2.0586 2.0586 2.1091 2.1091 3.4869 3.4869 6.6332 6.6332 6.6568 6.6568 6.9335 6.9335 8.8406 8.8406 10.5988 10.5988 10.7564 10.7564 11.0573 11.0573 12.2403 12.2403 k =-0.2296 0.4114 0.7148 ( 3273 PWs) bands (ev): -31.9086 -31.9086 -13.2048 -13.2048 -12.8459 -12.8459 -12.8088 -12.8088 -0.2905 -0.2905 0.5031 0.5031 1.4831 1.4831 1.5249 1.5249 1.6033 1.6033 1.6720 1.6720 1.8335 1.8335 1.8888 1.8888 1.9274 1.9274 1.9643 1.9643 2.0517 2.0517 2.1065 2.1065 3.4588 3.4588 6.6632 6.6632 6.6787 6.6787 7.0051 7.0051 8.9856 8.9856 10.6082 10.6082 10.7205 10.7205 11.1396 11.1396 12.1458 12.1458 k =-0.2362 0.4232 0.7012 ( 3272 PWs) bands (ev): -31.9087 -31.9087 -13.2046 -13.2046 -12.8461 -12.8461 -12.8079 -12.8079 -0.2973 -0.2973 0.4890 0.4890 1.4889 1.4889 1.5278 1.5278 1.5980 1.5980 1.6702 1.6702 1.8342 1.8342 1.8919 1.8919 1.9253 1.9253 1.9611 1.9611 2.0457 2.0457 2.1039 2.1039 3.4334 3.4334 6.6682 6.6682 6.7121 6.7121 7.0826 7.0826 9.1327 9.1327 10.6047 10.6047 10.6953 10.6953 11.2221 11.2221 12.0593 12.0593 k =-0.2427 0.4350 0.6877 ( 3272 PWs) bands (ev): -31.9087 -31.9087 -13.2044 -13.2044 -12.8463 -12.8463 -12.8071 -12.8071 -0.3034 -0.3034 0.4765 0.4765 1.4945 1.4945 1.5305 1.5305 1.5927 1.5927 1.6686 1.6686 1.8348 1.8348 1.8944 1.8944 1.9238 1.9238 1.9585 1.9585 2.0404 2.0404 2.1013 2.1013 3.4107 3.4107 6.6716 6.6716 6.7371 6.7371 7.1612 7.1612 9.2806 9.2806 10.5810 10.5810 10.6887 10.6887 11.3030 11.3030 11.9818 11.9818 k =-0.2493 0.4468 0.6741 ( 3266 PWs) bands (ev): -31.9088 -31.9088 -13.2043 -13.2043 -12.8465 -12.8465 -12.8064 -12.8064 -0.3087 -0.3087 0.4654 0.4654 1.4998 1.4998 1.5331 1.5331 1.5877 1.5877 1.6672 1.6672 1.8354 1.8354 1.8962 1.8962 1.9230 1.9230 1.9566 1.9566 2.0359 2.0359 2.0988 2.0988 3.3908 3.3908 6.6738 6.6738 6.7562 6.7562 7.2372 7.2372 9.4275 9.4275 10.5448 10.5448 10.6935 10.6935 11.3779 11.3779 11.8958 11.8959 k =-0.2559 0.4587 0.6606 ( 3276 PWs) bands (ev): -31.9088 -31.9088 -13.2042 -13.2042 -12.8467 -12.8467 -12.8058 -12.8058 -0.3133 -0.3133 0.4559 0.4559 1.5046 1.5046 1.5355 1.5355 1.5828 1.5828 1.6659 1.6659 1.8358 1.8358 1.8973 1.8973 1.9227 1.9227 1.9552 1.9552 2.0320 2.0320 2.0965 2.0965 3.3738 3.3738 6.6752 6.6752 6.7708 6.7708 7.3073 7.3073 9.5710 9.5710 10.5057 10.5057 10.7014 10.7014 11.4338 11.4338 11.7918 11.7918 k =-0.2625 0.4705 0.6471 ( 3276 PWs) bands (ev): -31.9089 -31.9089 -13.2041 -13.2041 -12.8468 -12.8468 -12.8053 -12.8053 -0.3171 -0.3171 0.4481 0.4481 1.5089 1.5089 1.5379 1.5379 1.5783 1.5783 1.6648 1.6648 1.8362 1.8362 1.8977 1.8977 1.9228 1.9228 1.9545 1.9545 2.0289 2.0289 2.0944 2.0944 3.3597 3.3597 6.6761 6.6761 6.7819 6.7819 7.3689 7.3689 9.7075 9.7075 10.4685 10.4685 10.7092 10.7092 11.4366 11.4366 11.7464 11.7464 k =-0.2691 0.4823 0.6335 ( 3280 PWs) bands (ev): -31.9089 -31.9089 -13.2040 -13.2040 -12.8469 -12.8469 -12.8049 -12.8049 -0.3201 -0.3201 0.4420 0.4420 1.5124 1.5124 1.5400 1.5400 1.5743 1.5743 1.6638 1.6638 1.8365 1.8365 1.8977 1.8977 1.9231 1.9231 1.9542 1.9542 2.0264 2.0264 2.0926 2.0926 3.3488 3.3488 6.6766 6.6766 6.7901 6.7901 7.4196 7.4196 9.8315 9.8315 10.4364 10.4364 10.7157 10.7157 11.3742 11.3742 11.7702 11.7703 k =-0.2757 0.4941 0.6200 ( 3282 PWs) bands (ev): -31.9089 -31.9089 -13.2040 -13.2040 -12.8470 -12.8470 -12.8046 -12.8046 -0.3222 -0.3222 0.4376 0.4376 1.5152 1.5152 1.5418 1.5418 1.5710 1.5710 1.6632 1.6632 1.8367 1.8367 1.8976 1.8976 1.9233 1.9233 1.9542 1.9542 2.0247 2.0247 2.0912 2.0912 3.3409 3.3409 6.6768 6.6768 6.7958 6.7958 7.4574 7.4574 9.9347 9.9347 10.4115 10.4115 10.7205 10.7205 11.2938 11.2938 11.7553 11.7553 k =-0.2823 0.5060 0.6065 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8471 -12.8471 -12.8044 -12.8044 -0.3235 -0.3235 0.4350 0.4350 1.5169 1.5169 1.5431 1.5431 1.5687 1.5687 1.6627 1.6627 1.8369 1.8369 1.8974 1.8974 1.9234 1.9234 1.9543 1.9543 2.0236 2.0236 2.0904 2.0904 3.3362 3.3362 6.6769 6.6769 6.7991 6.7991 7.4808 7.4808 10.0052 10.0052 10.3959 10.3959 10.7234 10.7234 11.2321 11.2321 11.7417 11.7417 k =-0.2889 0.5178 0.5929 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8471 -12.8471 -12.8044 -12.8044 -0.3239 -0.3239 0.4341 0.4341 1.5175 1.5175 1.5437 1.5437 1.5678 1.5678 1.6626 1.6626 1.8369 1.8369 1.8973 1.8973 1.9234 1.9234 1.9544 1.9544 2.0233 2.0233 2.0901 2.0901 3.3346 3.3346 6.6770 6.6770 6.8002 6.8002 7.4887 7.4887 10.0306 10.0306 10.3906 10.3906 10.7244 10.7244 11.2090 11.2090 11.7371 11.7371 k =-0.2889 0.5178 0.5929 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8471 -12.8471 -12.8044 -12.8044 -0.3239 -0.3239 0.4341 0.4341 1.5175 1.5175 1.5437 1.5437 1.5678 1.5678 1.6626 1.6626 1.8369 1.8369 1.8973 1.8973 1.9234 1.9234 1.9544 1.9544 2.0233 2.0233 2.0901 2.0901 3.3346 3.3346 6.6770 6.6770 6.8002 6.8002 7.4887 7.4887 10.0306 10.0306 10.3906 10.3906 10.7244 10.7244 11.2090 11.2090 11.7371 11.7371 k =-0.2824 0.5060 0.5795 ( 3286 PWs) bands (ev): -31.9089 -31.9089 -13.2042 -13.2042 -12.8475 -12.8475 -12.8044 -12.8044 -0.3384 -0.3384 0.4808 0.4808 1.5200 1.5200 1.5496 1.5496 1.5763 1.5763 1.6596 1.6596 1.8437 1.8437 1.8957 1.8957 1.9227 1.9227 1.9471 1.9471 2.0370 2.0370 2.0815 2.0815 3.3140 3.3140 6.5769 6.5769 6.7384 6.7384 7.5179 7.5179 9.9386 9.9386 10.4693 10.4693 10.7774 10.7774 11.1611 11.1611 11.7915 11.7915 k =-0.2758 0.4942 0.5660 ( 3286 PWs) bands (ev): -31.9089 -31.9089 -13.2044 -13.2044 -12.8478 -12.8478 -12.8045 -12.8045 -0.3561 -0.3561 0.5255 0.5255 1.5219 1.5219 1.5540 1.5540 1.5854 1.5854 1.6558 1.6558 1.8489 1.8489 1.8946 1.8946 1.9228 1.9228 1.9398 1.9398 2.0457 2.0457 2.0817 2.0817 3.3031 3.3031 6.4794 6.4794 6.6784 6.6784 7.5472 7.5472 9.8445 9.8445 10.5488 10.5488 10.8340 10.8340 11.1150 11.1150 11.8505 11.8505 k =-0.2692 0.4825 0.5525 ( 3284 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8480 -12.8480 -12.8045 -12.8045 -0.3772 -0.3772 0.5681 0.5681 1.5231 1.5231 1.5573 1.5573 1.5944 1.5944 1.6514 1.6514 1.8520 1.8520 1.8950 1.8950 1.9234 1.9234 1.9326 1.9326 2.0386 2.0386 2.1020 2.1020 3.3009 3.3009 6.3847 6.3847 6.6207 6.6207 7.5767 7.5767 9.7491 9.7491 10.6290 10.6290 10.8937 10.8937 11.0706 11.0706 11.9142 11.9142 k =-0.2627 0.4707 0.5390 ( 3272 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8481 -12.8481 -12.8045 -12.8045 -0.4015 -0.4015 0.6082 0.6082 1.5237 1.5237 1.5597 1.5597 1.6021 1.6021 1.6472 1.6472 1.8530 1.8530 1.8972 1.8972 1.9238 1.9238 1.9263 1.9263 2.0254 2.0254 2.1338 2.1338 3.3066 3.3066 6.2928 6.2928 6.5657 6.5657 7.6064 7.6064 9.6528 9.6528 10.7095 10.7095 10.9556 10.9556 11.0283 11.0283 11.9824 11.9824 k =-0.2561 0.4589 0.5255 ( 3273 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8045 -12.8045 -0.4292 -0.4292 0.6455 0.6455 1.5235 1.5235 1.5613 1.5613 1.6070 1.6070 1.6443 1.6443 1.8525 1.8525 1.9008 1.9008 1.9188 1.9188 1.9258 1.9258 2.0112 2.0112 2.1725 2.1725 3.3192 3.3192 6.2039 6.2039 6.5140 6.5140 7.6362 7.6362 9.5562 9.5562 10.7900 10.7900 10.9862 10.9862 11.0210 11.0210 12.0549 12.0549 k =-0.2495 0.4472 0.5121 ( 3277 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8045 -12.8045 -0.4599 -0.4599 0.6800 0.6800 1.5225 1.5225 1.5623 1.5623 1.6074 1.6074 1.6442 1.6442 1.8512 1.8512 1.9037 1.9037 1.9143 1.9143 1.9267 1.9267 1.9979 1.9979 2.2171 2.2171 3.3375 3.3375 6.1181 6.1181 6.4660 6.4660 7.6664 7.6664 9.4597 9.4597 10.8697 10.8697 10.9483 10.9483 11.0855 11.0855 12.1317 12.1317 k =-0.2430 0.4354 0.4986 ( 3277 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8481 -12.8481 -12.8044 -12.8044 -0.4936 -0.4936 0.7114 0.7114 1.5206 1.5206 1.5627 1.5627 1.6035 1.6035 1.6468 1.6468 1.8501 1.8501 1.9006 1.9006 1.9165 1.9165 1.9275 1.9275 1.9866 1.9866 2.2671 2.2671 3.3606 3.3606 6.0357 6.0357 6.4221 6.4221 7.6968 7.6968 9.3635 9.3635 10.9105 10.9105 10.9492 10.9492 11.1514 11.1514 12.2126 12.2126 k =-0.2364 0.4236 0.4851 ( 3285 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8480 -12.8480 -12.8044 -12.8044 -0.5301 -0.5301 0.7398 0.7398 1.5180 1.5180 1.5624 1.5624 1.5970 1.5970 1.6503 1.6503 1.8495 1.8495 1.8939 1.8939 1.9217 1.9217 1.9284 1.9284 1.9781 1.9781 2.3221 2.3221 3.3875 3.3875 5.9567 5.9567 6.3829 6.3829 7.7276 7.7276 9.2681 9.2681 10.8759 10.8759 11.0244 11.0244 11.2182 11.2182 12.2976 12.2976 k =-0.2298 0.4119 0.4716 ( 3285 PWs) bands (ev): -31.9088 -31.9088 -13.2043 -13.2043 -12.8477 -12.8477 -12.8044 -12.8044 -0.5691 -0.5691 0.7652 0.7652 1.5146 1.5146 1.5614 1.5614 1.5894 1.5894 1.6535 1.6535 1.8501 1.8501 1.8864 1.8864 1.9242 1.9242 1.9323 1.9323 1.9729 1.9729 2.3816 2.3816 3.4171 3.4171 5.8815 5.8815 6.3489 6.3489 7.7588 7.7588 9.1735 9.1735 10.8428 10.8428 11.0951 11.0951 11.2860 11.2860 12.3864 12.3865 k =-0.2233 0.4001 0.4582 ( 3287 PWs) bands (ev): -31.9089 -31.9089 -13.2041 -13.2041 -12.8474 -12.8474 -12.8043 -12.8043 -0.6103 -0.6103 0.7877 0.7877 1.5105 1.5105 1.5595 1.5595 1.5814 1.5814 1.6558 1.6558 1.8517 1.8517 1.8788 1.8788 1.9235 1.9235 1.9390 1.9390 1.9709 1.9709 2.4452 2.4452 3.4486 3.4486 5.8102 5.8102 6.3205 6.3205 7.7904 7.7904 9.0800 9.0800 10.8114 10.8114 11.1582 11.1582 11.3559 11.3559 12.4789 12.4790 k =-0.2167 0.3883 0.4447 ( 3295 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8470 -12.8470 -12.8043 -12.8043 -0.6536 -0.6536 0.8073 0.8073 1.5056 1.5056 1.5565 1.5565 1.5738 1.5738 1.6571 1.6571 1.8540 1.8540 1.8716 1.8716 1.9223 1.9223 1.9459 1.9459 1.9719 1.9719 2.5123 2.5123 3.4812 3.4812 5.7433 5.7433 6.2982 6.2982 7.8224 7.8224 8.9878 8.9878 10.7818 10.7818 11.2106 11.2106 11.4291 11.4291 12.5690 12.5703 k =-0.2101 0.3766 0.4312 ( 3291 PWs) bands (ev): -31.9090 -31.9090 -13.2036 -13.2036 -12.8465 -12.8465 -12.8042 -12.8042 -0.6985 -0.6985 0.8243 0.8243 1.5003 1.5003 1.5522 1.5522 1.5669 1.5669 1.6575 1.6575 1.8557 1.8557 1.8665 1.8665 1.9216 1.9216 1.9521 1.9521 1.9757 1.9757 2.5824 2.5824 3.5140 3.5140 5.6810 5.6810 6.2824 6.2824 7.8548 7.8548 8.8971 8.8971 10.7538 10.7538 11.2496 11.2496 11.5061 11.5061 12.6352 12.6352 k =-0.2036 0.3648 0.4177 ( 3291 PWs) bands (ev): -31.9090 -31.9090 -13.2032 -13.2032 -12.8460 -12.8460 -12.8042 -12.8042 -0.7448 -0.7448 0.8387 0.8387 1.4945 1.4945 1.5465 1.5465 1.5610 1.5610 1.6571 1.6571 1.8530 1.8530 1.8667 1.8667 1.9220 1.9220 1.9572 1.9572 1.9818 1.9818 2.6547 2.6547 3.5465 3.5465 5.6238 5.6238 6.2737 6.2737 7.8878 7.8878 8.8079 8.8079 10.7274 10.7274 11.2739 11.2739 11.5868 11.5868 12.7002 12.7002 k =-0.1970 0.3530 0.4043 ( 3295 PWs) bands (ev): -31.9091 -31.9091 -13.2029 -13.2029 -12.8454 -12.8454 -12.8041 -12.8041 -0.7922 -0.7922 0.8507 0.8507 1.4882 1.4882 1.5398 1.5398 1.5556 1.5556 1.6562 1.6562 1.8477 1.8477 1.8701 1.8701 1.9237 1.9237 1.9615 1.9615 1.9897 1.9897 2.7284 2.7284 3.5779 3.5779 5.5720 5.5720 6.2724 6.2724 7.9212 7.9212 8.7204 8.7204 10.7025 10.7025 11.2833 11.2833 11.6703 11.6703 12.7652 12.7652 k =-0.1904 0.3413 0.3908 ( 3299 PWs) bands (ev): -31.9091 -31.9091 -13.2025 -13.2025 -12.8448 -12.8448 -12.8040 -12.8040 -0.8404 -0.8404 0.8606 0.8606 1.4818 1.4818 1.5326 1.5326 1.5504 1.5504 1.6549 1.6549 1.8423 1.8423 1.8739 1.8739 1.9272 1.9272 1.9653 1.9653 1.9988 1.9988 2.8029 2.8029 3.6077 3.6077 5.5263 5.5263 6.2788 6.2788 7.9551 7.9551 8.6348 8.6348 10.6790 10.6790 11.2783 11.2783 11.7558 11.7558 12.8300 12.8300 k =-0.1839 0.3295 0.3773 ( 3299 PWs) bands (ev): -31.9092 -31.9092 -13.2020 -13.2020 -12.8441 -12.8441 -12.8038 -12.8038 -0.8891 -0.8891 0.8685 0.8685 1.4752 1.4752 1.5252 1.5252 1.5450 1.5450 1.6535 1.6535 1.8376 1.8376 1.8773 1.8773 1.9323 1.9323 1.9689 1.9689 2.0087 2.0087 2.8772 2.8772 3.6354 3.6354 5.4873 5.4873 6.2932 6.2932 7.9894 7.9894 8.5510 8.5510 10.6569 10.6569 11.2600 11.2600 11.8423 11.8423 12.8943 12.8943 k =-0.1773 0.3177 0.3638 ( 3301 PWs) bands (ev): -31.9093 -31.9093 -13.2016 -13.2016 -12.8433 -12.8433 -12.8037 -12.8037 -0.9381 -0.9381 0.8746 0.8746 1.4687 1.4687 1.5178 1.5178 1.5393 1.5393 1.6520 1.6520 1.8336 1.8336 1.8802 1.8802 1.9389 1.9389 1.9724 1.9724 2.0191 2.0191 2.9504 2.9504 3.6606 3.6606 5.4557 5.4557 6.3158 6.3158 8.0243 8.0243 8.4693 8.4693 10.6359 10.6359 11.2299 11.2299 11.9293 11.9293 12.9580 12.9580 k =-0.1707 0.3060 0.3504 ( 3293 PWs) bands (ev): -31.9093 -31.9093 -13.2011 -13.2011 -12.8425 -12.8425 -12.8034 -12.8034 -0.9870 -0.9870 0.8791 0.8791 1.4623 1.4623 1.5103 1.5103 1.5335 1.5335 1.6504 1.6504 1.8304 1.8304 1.8827 1.8827 1.9466 1.9466 1.9759 1.9759 2.0300 2.0300 3.0216 3.0216 3.6831 3.6831 5.4322 5.4322 6.3468 6.3468 8.0595 8.0595 8.3896 8.3896 10.6161 10.6161 11.1898 11.1898 12.0160 12.0160 13.0209 13.0232 k =-0.1642 0.2942 0.3369 ( 3289 PWs) bands (ev): -31.9094 -31.9094 -13.2005 -13.2005 -12.8417 -12.8417 -12.8032 -12.8032 -1.0356 -1.0356 0.8822 0.8822 1.4560 1.4560 1.5028 1.5028 1.5275 1.5275 1.6489 1.6489 1.8280 1.8280 1.8849 1.8849 1.9550 1.9550 1.9794 1.9794 2.0411 2.0411 3.0897 3.0897 3.7027 3.7027 5.4176 5.4176 6.3861 6.3861 8.0952 8.0952 8.3122 8.3122 10.5971 10.5971 11.1415 11.1415 12.1020 12.1020 12.9839 12.9839 k =-0.1576 0.2824 0.3234 ( 3287 PWs) bands (ev): -31.9095 -31.9095 -13.2000 -13.2000 -12.8409 -12.8409 -12.8029 -12.8029 -1.0838 -1.0838 0.8839 0.8839 1.4499 1.4499 1.4953 1.4953 1.5213 1.5213 1.6473 1.6473 1.8264 1.8264 1.8870 1.8870 1.9636 1.9636 1.9831 1.9831 2.0525 2.0525 3.1536 3.1536 3.7194 3.7194 5.4127 5.4127 6.4336 6.4336 8.1312 8.1312 8.2370 8.2370 10.5788 10.5788 11.0867 11.0867 12.1866 12.1866 12.9292 12.9292 k =-0.1510 0.2707 0.3099 ( 3291 PWs) bands (ev): -31.9096 -31.9096 -13.1995 -13.1995 -12.8401 -12.8401 -12.8026 -12.8026 -1.1312 -1.1312 0.8845 0.8845 1.4440 1.4440 1.4877 1.4877 1.5151 1.5151 1.6458 1.6458 1.8256 1.8256 1.8891 1.8891 1.9720 1.9720 1.9871 1.9871 2.0641 2.0641 3.2125 3.2125 3.7331 3.7331 5.4183 5.4183 6.4892 6.4892 8.1632 8.1632 8.1685 8.1685 10.5611 10.5611 11.0268 11.0268 12.2694 12.2694 12.8621 12.8621 k =-0.1445 0.2589 0.2965 ( 3289 PWs) bands (ev): -31.9097 -31.9097 -13.1989 -13.1989 -12.8393 -12.8393 -12.8023 -12.8023 -1.1778 -1.1778 0.8841 0.8841 1.4384 1.4384 1.4801 1.4801 1.5089 1.5089 1.6442 1.6442 1.8257 1.8257 1.8912 1.8912 1.9796 1.9796 1.9919 1.9919 2.0758 2.0758 3.2655 3.2655 3.7440 3.7440 5.4350 5.4350 6.5526 6.5526 8.0938 8.0938 8.2041 8.2041 10.5437 10.5437 10.9631 10.9631 12.3497 12.3497 12.7840 12.7840 k =-0.1379 0.2471 0.2830 ( 3285 PWs) bands (ev): -31.9098 -31.9098 -13.1983 -13.1983 -12.8385 -12.8385 -12.8019 -12.8019 -1.2233 -1.2233 0.8828 0.8828 1.4329 1.4329 1.4724 1.4724 1.5028 1.5028 1.6427 1.6427 1.8264 1.8264 1.8935 1.8935 1.9856 1.9856 1.9982 1.9982 2.0877 2.0877 3.3119 3.3119 3.7522 3.7522 5.4633 5.4633 6.6234 6.6234 8.0259 8.0259 8.2408 8.2408 10.5262 10.5262 10.8966 10.8966 12.4270 12.4270 12.6958 12.6958 k =-0.1313 0.2354 0.2695 ( 3287 PWs) bands (ev): -31.9099 -31.9099 -13.1978 -13.1978 -12.8377 -12.8377 -12.8015 -12.8015 -1.2675 -1.2675 0.8809 0.8809 1.4277 1.4277 1.4646 1.4646 1.4969 1.4969 1.6412 1.6412 1.8278 1.8278 1.8958 1.8958 1.9900 1.9900 2.0057 2.0057 2.0995 2.0995 3.3514 3.3514 3.7579 3.7579 5.5034 5.5034 6.7012 6.7012 7.9606 7.9606 8.2775 8.2775 10.5085 10.5085 10.8280 10.8280 12.5005 12.5005 12.5987 12.5987 k =-0.1248 0.2236 0.2560 ( 3287 PWs) bands (ev): -31.9099 -31.9099 -13.1972 -13.1972 -12.8370 -12.8370 -12.8010 -12.8010 -1.3104 -1.3104 0.8782 0.8782 1.4228 1.4228 1.4568 1.4568 1.4913 1.4913 1.6396 1.6396 1.8298 1.8298 1.8983 1.8983 1.9936 1.9936 2.0137 2.0137 2.1113 2.1113 3.3837 3.3837 3.7615 3.7615 5.5553 5.5553 6.7857 6.7857 7.8979 7.8979 8.3142 8.3142 10.4901 10.4901 10.7581 10.7581 12.4924 12.4924 12.5706 12.5706 k =-0.1182 0.2118 0.2426 ( 3289 PWs) bands (ev): -31.9100 -31.9100 -13.1967 -13.1967 -12.8363 -12.8363 -12.8005 -12.8005 -1.3518 -1.3518 0.8752 0.8752 1.4180 1.4180 1.4490 1.4490 1.4859 1.4859 1.6381 1.6381 1.8323 1.8323 1.9008 1.9008 1.9967 1.9967 2.0218 2.0218 2.1231 2.1231 3.4092 3.4092 3.7631 3.7631 5.6186 5.6186 6.8763 6.8763 7.8380 7.8380 8.3507 8.3507 10.4704 10.4704 10.6873 10.6873 12.3799 12.3799 12.6347 12.6347 k =-0.1116 0.2000 0.2291 ( 3293 PWs) bands (ev): -31.9101 -31.9101 -13.1962 -13.1962 -12.8356 -12.8356 -12.7999 -12.7999 -1.3914 -1.3914 0.8717 0.8717 1.4135 1.4135 1.4411 1.4411 1.4809 1.4809 1.6366 1.6366 1.8352 1.8352 1.9035 1.9035 1.9995 1.9995 2.0297 2.0297 2.1347 2.1347 3.4281 3.4281 3.7632 3.7632 5.6926 5.6926 6.9725 6.9725 7.7808 7.7808 8.3869 8.3869 10.4490 10.4490 10.6158 10.6158 12.2612 12.2612 12.6930 12.6930 k =-0.1051 0.1883 0.2156 ( 3293 PWs) bands (ev): -31.9102 -31.9102 -13.1956 -13.1956 -12.8350 -12.8350 -12.7993 -12.7993 -1.4294 -1.4294 0.8679 0.8679 1.4092 1.4092 1.4334 1.4334 1.4762 1.4762 1.6351 1.6351 1.8385 1.8385 1.9062 1.9062 2.0021 2.0021 2.0373 2.0373 2.1460 2.1460 3.4411 3.4411 3.7618 3.7618 5.7765 5.7765 7.0740 7.0740 7.7265 7.7265 8.4226 8.4226 10.4251 10.4251 10.5439 10.5439 12.1382 12.1382 12.7438 12.7438 k =-0.0985 0.1765 0.2021 ( 3291 PWs) bands (ev): -31.9103 -31.9103 -13.1951 -13.1951 -12.8344 -12.8344 -12.7987 -12.7987 -1.4655 -1.4655 0.8639 0.8639 1.4051 1.4051 1.4257 1.4257 1.4719 1.4719 1.6336 1.6336 1.8421 1.8421 1.9090 1.9090 2.0046 2.0046 2.0447 2.0447 2.1571 2.1571 3.4490 3.4490 3.7594 3.7594 5.8693 5.8693 7.1800 7.1800 7.6751 7.6751 8.4577 8.4577 10.3977 10.3977 10.4716 10.4716 12.0127 12.0127 12.7846 12.7846 k =-0.0919 0.1647 0.1887 ( 3295 PWs) bands (ev): -31.9104 -31.9104 -13.1947 -13.1947 -12.8339 -12.8339 -12.7980 -12.7980 -1.4996 -1.4996 0.8598 0.8598 1.4013 1.4013 1.4183 1.4183 1.4678 1.4678 1.6321 1.6321 1.8459 1.8459 1.9119 1.9119 2.0069 2.0069 2.0517 2.0517 2.1677 2.1677 3.4524 3.4524 3.7561 3.7561 5.9698 5.9698 7.2902 7.2902 7.6268 7.6268 8.4920 8.4920 10.3656 10.3656 10.3994 10.3994 11.8868 11.8868 12.8108 12.8109 k =-0.0854 0.1530 0.1752 ( 3293 PWs) bands (ev): -31.9105 -31.9105 -13.1942 -13.1942 -12.8334 -12.8334 -12.7973 -12.7973 -1.5317 -1.5317 0.8557 0.8557 1.3977 1.3977 1.4110 1.4110 1.4641 1.4641 1.6308 1.6308 1.8497 1.8497 1.9149 1.9149 2.0090 2.0090 2.0583 2.0583 2.1780 2.1780 3.4523 3.4523 3.7522 3.7522 6.0769 6.0769 7.4040 7.4040 7.5816 7.5816 8.5253 8.5253 10.3203 10.3203 10.3340 10.3340 11.7631 11.7631 12.8075 12.8132 k =-0.0788 0.1412 0.1617 ( 3293 PWs) bands (ev): -31.9106 -31.9106 -13.1937 -13.1937 -12.8330 -12.8330 -12.7967 -12.7967 -1.5617 -1.5617 0.8516 0.8516 1.3943 1.3943 1.4040 1.4040 1.4608 1.4608 1.6295 1.6295 1.8535 1.8535 1.9178 1.9178 2.0110 2.0110 2.0645 2.0645 2.1877 2.1877 3.4494 3.4494 3.7478 3.7478 6.1893 6.1893 7.5178 7.5178 7.5425 7.5425 8.5575 8.5575 10.2492 10.2492 10.2870 10.2870 11.6440 11.6440 12.7430 12.7431 k =-0.0722 0.1294 0.1482 ( 3287 PWs) bands (ev): -31.9106 -31.9106 -13.1933 -13.1933 -12.8326 -12.8326 -12.7960 -12.7960 -1.5895 -1.5895 0.8476 0.8476 1.3913 1.3913 1.3974 1.3974 1.4578 1.4578 1.6284 1.6284 1.8572 1.8572 1.9208 1.9208 2.0129 2.0129 2.0703 2.0703 2.1969 2.1969 3.4443 3.4443 3.7433 3.7433 6.3058 6.3058 7.4992 7.4992 7.6415 7.6415 8.5882 8.5882 10.1743 10.1743 10.2347 10.2347 11.5323 11.5323 12.6851 12.6852 k =-0.0657 0.1177 0.1348 ( 3283 PWs) bands (ev): -31.9107 -31.9107 -13.1929 -13.1929 -12.8323 -12.8323 -12.7953 -12.7953 -1.6151 -1.6151 0.8438 0.8438 1.3884 1.3884 1.3912 1.3912 1.4550 1.4550 1.6273 1.6273 1.8608 1.8608 1.9237 1.9237 2.0146 2.0146 2.0757 2.0757 2.2055 2.2055 3.4378 3.4378 3.7386 3.7386 6.4250 6.4250 7.4635 7.4635 7.7628 7.7628 8.6173 8.6173 10.0977 10.0977 10.1737 10.1737 11.4304 11.4304 12.6391 12.6400 k =-0.0591 0.1059 0.1213 ( 3279 PWs) bands (ev): -31.9108 -31.9108 -13.1926 -13.1926 -12.8320 -12.8320 -12.7947 -12.7947 -1.6384 -1.6384 0.8403 0.8403 1.3851 1.3851 1.3860 1.3860 1.4526 1.4526 1.6263 1.6263 1.8641 1.8641 1.9265 1.9265 2.0162 2.0162 2.0807 2.0807 2.2135 2.2135 3.4304 3.4304 3.7340 3.7340 6.5453 6.5453 7.4310 7.4310 7.8856 7.8856 8.6445 8.6445 10.0194 10.0194 10.1036 10.1036 11.3401 11.3401 12.5482 12.5483 k =-0.0525 0.0941 0.1078 ( 3273 PWs) bands (ev): -31.9108 -31.9108 -13.1922 -13.1922 -12.8317 -12.8317 -12.7941 -12.7941 -1.6594 -1.6594 0.8369 0.8369 1.3799 1.3799 1.3835 1.3835 1.4504 1.4504 1.6254 1.6254 1.8672 1.8672 1.9292 1.9292 2.0176 2.0176 2.0852 2.0852 2.2208 2.2208 3.4226 3.4226 3.7296 3.7296 6.6651 6.6651 7.4017 7.4017 8.0090 8.0090 8.6697 8.6697 9.9393 9.9393 10.0251 10.0251 11.2626 11.2626 12.4559 12.4559 k =-0.0460 0.0824 0.0943 ( 3267 PWs) bands (ev): -31.9109 -31.9109 -13.1919 -13.1919 -12.8315 -12.8315 -12.7935 -12.7935 -1.6780 -1.6780 0.8338 0.8338 1.3751 1.3751 1.3814 1.3814 1.4485 1.4485 1.6246 1.6246 1.8699 1.8699 1.9318 1.9318 2.0188 2.0188 2.0893 2.0893 2.2273 2.2273 3.4148 3.4148 3.7255 3.7255 6.7825 6.7825 7.3758 7.3758 8.1321 8.1321 8.6925 8.6925 9.8571 9.8571 9.9401 9.9401 11.1980 11.1980 12.3677 12.3677 k =-0.0394 0.0706 0.0809 ( 3263 PWs) bands (ev): -31.9109 -31.9109 -13.1917 -13.1917 -12.8313 -12.8313 -12.7930 -12.7930 -1.6942 -1.6942 0.8312 0.8312 1.3708 1.3708 1.3795 1.3795 1.4469 1.4469 1.6239 1.6239 1.8724 1.8724 1.9342 1.9342 2.0199 2.0199 2.0928 2.0928 2.2329 2.2329 3.4073 3.4073 3.7217 3.7217 6.8952 6.8952 7.3534 7.3534 8.2539 8.2539 8.7129 8.7129 9.7731 9.7731 9.8516 9.8516 11.1456 11.1456 12.2867 12.2867 k =-0.0328 0.0588 0.0674 ( 3263 PWs) bands (ev): -31.9110 -31.9110 -13.1915 -13.1915 -12.8312 -12.8312 -12.7925 -12.7925 -1.7079 -1.7079 0.8288 0.8288 1.3671 1.3671 1.3780 1.3780 1.4456 1.4456 1.6234 1.6234 1.8744 1.8744 1.9363 1.9363 2.0208 2.0208 2.0959 2.0959 2.2378 2.2378 3.4005 3.4005 3.7184 3.7184 7.0002 7.0002 7.3346 7.3346 8.3727 8.3727 8.7305 8.7305 9.6879 9.6879 9.7636 9.7636 11.1043 11.1043 12.2151 12.2151 k =-0.0263 0.0471 0.0539 ( 3263 PWs) bands (ev): -31.9110 -31.9110 -13.1913 -13.1913 -12.8311 -12.8311 -12.7922 -12.7922 -1.7192 -1.7192 0.8268 0.8268 1.3641 1.3641 1.3767 1.3767 1.4444 1.4444 1.6229 1.6229 1.8761 1.8761 1.9381 1.9381 2.0216 2.0216 2.0985 2.0985 2.2418 2.2418 3.3946 3.3946 3.7157 3.7157 7.0941 7.0941 7.3195 7.3195 8.4865 8.4865 8.7453 8.7453 9.6029 9.6029 9.6808 9.6808 11.0727 11.0727 12.1546 12.1546 k =-0.0197 0.0353 0.0404 ( 3263 PWs) bands (ev): -31.9110 -31.9110 -13.1912 -13.1912 -12.8310 -12.8310 -12.7919 -12.7919 -1.7280 -1.7280 0.8253 0.8253 1.3617 1.3617 1.3757 1.3757 1.4435 1.4435 1.6225 1.6225 1.8774 1.8774 1.9395 1.9395 2.0222 2.0222 2.1005 2.1005 2.2450 2.2450 3.3898 3.3898 3.7135 3.7135 7.1727 7.1727 7.3087 7.3087 8.5915 8.5915 8.7572 8.7572 9.5209 9.5209 9.6084 9.6084 11.0495 11.0495 12.1064 12.1064 k =-0.0131 0.0235 0.0270 ( 3273 PWs) bands (ev): -31.9110 -31.9110 -13.1911 -13.1911 -12.8310 -12.8310 -12.7917 -12.7917 -1.7343 -1.7343 0.8242 0.8242 1.3599 1.3599 1.3749 1.3749 1.4429 1.4429 1.6221 1.6221 1.8783 1.8783 1.9405 1.9405 2.0226 2.0226 2.1019 2.1019 2.2472 2.2472 3.3863 3.3863 3.7119 3.7119 7.2304 7.2304 7.3036 7.3036 8.6813 8.6813 8.7662 8.7662 9.4475 9.4475 9.5516 9.5516 11.0337 11.0337 12.0713 12.0713 k =-0.0066 0.0118 0.0135 ( 3269 PWs) bands (ev): -31.9110 -31.9110 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7380 -1.7380 0.8235 0.8235 1.3589 1.3589 1.3746 1.3746 1.4425 1.4425 1.6220 1.6220 1.8789 1.8789 1.9411 1.9411 2.0228 2.0228 2.1027 2.1027 2.2486 2.2486 3.3842 3.3842 3.7109 3.7109 7.2606 7.2606 7.3069 7.3069 8.7431 8.7431 8.7742 8.7742 9.3931 9.3931 9.5153 9.5153 11.0246 11.0246 12.0500 12.0500 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -31.9111 -31.9111 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7393 -1.7393 0.8234 0.8234 1.3585 1.3585 1.3744 1.3744 1.4424 1.4424 1.6220 1.6220 1.8790 1.8790 1.9413 1.9413 2.0229 2.0229 2.1029 2.1029 2.2491 2.2491 3.3835 3.3835 3.7106 3.7106 7.2675 7.2675 7.3115 7.3115 8.7609 8.7609 8.7826 8.7826 9.3722 9.3722 9.5028 9.5028 11.0216 11.0216 12.0429 12.0429 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -31.9111 -31.9111 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7393 -1.7393 0.8234 0.8234 1.3585 1.3585 1.3744 1.3744 1.4424 1.4424 1.6220 1.6220 1.8790 1.8790 1.9413 1.9413 2.0229 2.0229 2.1029 2.1029 2.2491 2.2491 3.3835 3.3835 3.7106 3.7106 7.2675 7.2675 7.3115 7.3115 8.7609 8.7609 8.7826 8.7826 9.3722 9.3722 9.5028 9.5028 11.0216 11.0216 12.0429 12.0429 k = 0.0167 0.0093 0.0000 ( 3249 PWs) bands (ev): -31.9110 -31.9110 -13.1910 -13.1910 -12.8308 -12.8308 -12.7914 -12.7914 -1.7379 -1.7379 0.8218 0.8218 1.3588 1.3588 1.3744 1.3744 1.4425 1.4425 1.6220 1.6220 1.8790 1.8790 1.9414 1.9414 2.0229 2.0229 2.1030 2.1030 2.2491 2.2491 3.3390 3.3390 3.7586 3.7586 7.2654 7.2654 7.3093 7.3093 8.7653 8.7653 8.7868 8.7868 9.3371 9.3371 9.5406 9.5406 11.0132 11.0132 12.0527 12.0527 k = 0.0333 0.0186 0.0000 ( 3249 PWs) bands (ev): -31.9110 -31.9110 -13.1910 -13.1910 -12.8309 -12.8309 -12.7914 -12.7914 -1.7338 -1.7338 0.8173 0.8173 1.3590 1.3590 1.3744 1.3744 1.4425 1.4425 1.6219 1.6219 1.8787 1.8787 1.9414 1.9414 2.0227 2.0227 2.1030 2.1030 2.2489 2.2489 3.2448 3.2448 3.8634 3.8634 7.2594 7.2594 7.3027 7.3027 8.7782 8.7782 8.7993 8.7993 9.2738 9.2738 9.6123 9.6123 10.9890 10.9890 12.0812 12.0812 k = 0.0500 0.0279 0.0000 ( 3257 PWs) bands (ev): -31.9110 -31.9110 -13.1910 -13.1910 -12.8309 -12.8309 -12.7915 -12.7915 -1.7270 -1.7270 0.8096 0.8096 1.3593 1.3593 1.3745 1.3745 1.4425 1.4425 1.6219 1.6219 1.8780 1.8780 1.9414 1.9414 2.0224 2.0224 2.1030 2.1030 2.2484 2.2484 3.1372 3.1372 3.9888 3.9888 7.2496 7.2496 7.2921 7.2921 8.7996 8.7996 8.8199 8.8199 9.2067 9.2067 9.6931 9.6931 10.9517 10.9517 12.1256 12.1256 k = 0.0667 0.0372 0.0000 ( 3261 PWs) bands (ev): -31.9110 -31.9110 -13.1911 -13.1911 -12.8310 -12.8310 -12.7915 -12.7915 -1.7174 -1.7174 0.7988 0.7988 1.3598 1.3598 1.3745 1.3745 1.4425 1.4425 1.6218 1.6218 1.8772 1.8772 1.9414 1.9414 2.0219 2.0219 2.1030 2.1030 2.2479 2.2479 3.0275 3.0275 4.1237 4.1237 7.2363 7.2363 7.2779 7.2779 8.8288 8.8288 8.8481 8.8481 9.1405 9.1405 9.7786 9.7786 10.9044 10.9044 12.1822 12.1822 k = 0.0833 0.0465 0.0000 ( 3261 PWs) bands (ev): -31.9110 -31.9110 -13.1911 -13.1911 -12.8310 -12.8310 -12.7915 -12.7915 -1.7051 -1.7051 0.7847 0.7847 1.3603 1.3603 1.3745 1.3745 1.4425 1.4425 1.6217 1.6217 1.8760 1.8760 1.9413 1.9413 2.0214 2.0214 2.1030 2.1030 2.2472 2.2472 2.9195 2.9195 4.2642 4.2642 7.2200 7.2200 7.2604 7.2604 8.8655 8.8655 8.8835 8.8835 9.0763 9.0763 9.8677 9.8677 10.8502 10.8502 12.2476 12.2476 k = 0.1000 0.0558 0.0000 ( 3261 PWs) bands (ev): -31.9110 -31.9110 -13.1911 -13.1911 -12.8311 -12.8311 -12.7915 -12.7915 -1.6902 -1.6902 0.7674 0.7674 1.3609 1.3609 1.3746 1.3746 1.4426 1.4426 1.6217 1.6217 1.8744 1.8744 1.9412 1.9412 2.0207 2.0207 2.1029 2.1029 2.2462 2.2462 2.8151 2.8151 4.4090 4.4090 7.2012 7.2012 7.2404 7.2404 8.9090 8.9090 8.9251 8.9251 9.0149 9.0149 9.9600 9.9600 10.7915 10.7915 12.3186 12.3186 k = 0.1167 0.0651 0.0000 ( 3261 PWs) bands (ev): -31.9110 -31.9110 -13.1912 -13.1912 -12.8312 -12.8312 -12.7915 -12.7915 -1.6725 -1.6725 0.7464 0.7464 1.3616 1.3616 1.3746 1.3746 1.4427 1.4427 1.6215 1.6215 1.8724 1.8724 1.9411 1.9411 2.0200 2.0200 2.1029 2.1029 2.2448 2.2448 2.7154 2.7154 4.5571 4.5571 7.1804 7.1804 7.2182 7.2182 8.9494 8.9494 8.9588 8.9588 8.9795 8.9795 10.0552 10.0552 10.7302 10.7302 12.3924 12.3924 k = 0.1333 0.0744 0.0000 ( 3261 PWs) bands (ev): -31.9110 -31.9110 -13.1913 -13.1913 -12.8313 -12.8313 -12.7915 -12.7915 -1.6521 -1.6521 0.7218 0.7218 1.3624 1.3624 1.3747 1.3747 1.4427 1.4427 1.6214 1.6214 1.8698 1.8698 1.9410 1.9410 2.0193 2.0193 2.1029 2.1029 2.2427 2.2427 2.6214 2.6214 4.7082 4.7082 7.1581 7.1581 7.1944 7.1944 8.8959 8.8959 9.0142 9.0142 9.0300 9.0300 10.1533 10.1533 10.6679 10.6679 12.3634 12.3634 k = 0.1500 0.0837 0.0000 ( 3273 PWs) bands (ev): -31.9110 -31.9110 -13.1914 -13.1914 -12.8315 -12.8315 -12.7915 -12.7915 -1.6291 -1.6291 0.6933 0.6933 1.3631 1.3631 1.3746 1.3746 1.4428 1.4428 1.6212 1.6212 1.8666 1.8666 1.9409 1.9409 2.0184 2.0184 2.1028 2.1028 2.2395 2.2395 2.5340 2.5340 4.8618 4.8618 7.1346 7.1346 7.1696 7.1696 8.8417 8.8417 9.0746 9.0746 9.0888 9.0888 10.2541 10.2541 10.6055 10.6055 12.3647 12.3647 k = 0.1667 0.0930 0.0000 ( 3273 PWs) bands (ev): -31.9110 -31.9110 -13.1914 -13.1914 -12.8316 -12.8316 -12.7915 -12.7915 -1.6034 -1.6034 0.6608 0.6608 1.3639 1.3639 1.3746 1.3746 1.4429 1.4429 1.6210 1.6210 1.8626 1.8626 1.9408 1.9408 2.0175 2.0175 2.1027 2.1027 2.2341 2.2341 2.4549 2.4549 5.0178 5.0178 7.1105 7.1105 7.1441 7.1441 8.7900 8.7900 9.1396 9.1396 9.1525 9.1525 10.3577 10.3577 10.5438 10.5438 12.3661 12.3661 k = 0.1833 0.1023 0.0000 ( 3269 PWs) bands (ev): -31.9110 -31.9110 -13.1915 -13.1915 -12.8317 -12.8317 -12.7915 -12.7915 -1.5751 -1.5751 0.6243 0.6243 1.3648 1.3648 1.3746 1.3746 1.4430 1.4430 1.6207 1.6207 1.8576 1.8576 1.9406 1.9406 2.0166 2.0166 2.1026 2.1026 2.2245 2.2245 2.3867 2.3867 5.1759 5.1759 7.0861 7.0861 7.1184 7.1184 8.7407 8.7407 9.2086 9.2086 9.2204 9.2204 10.4639 10.4639 10.4835 10.4835 12.3676 12.3676 k = 0.2000 0.1116 0.0000 ( 3269 PWs) bands (ev): -31.9110 -31.9110 -13.1916 -13.1916 -12.8318 -12.8318 -12.7915 -12.7915 -1.5442 -1.5442 0.5836 0.5836 1.3655 1.3655 1.3747 1.3747 1.4431 1.4431 1.6204 1.6204 1.8514 1.8514 1.9405 1.9405 2.0156 2.0156 2.1025 2.1025 2.2062 2.2062 2.3343 2.3343 5.3358 5.3358 7.0617 7.0617 7.0928 7.0928 8.6941 8.6941 9.2812 9.2812 9.2920 9.2920 10.4250 10.4250 10.5728 10.5728 12.3693 12.3693 k = 0.2167 0.1209 0.0000 ( 3274 PWs) bands (ev): -31.9110 -31.9110 -13.1917 -13.1917 -12.8319 -12.8319 -12.7916 -12.7916 -1.5108 -1.5108 0.5387 0.5387 1.3661 1.3661 1.3748 1.3748 1.4432 1.4432 1.6200 1.6200 1.8435 1.8435 1.9404 1.9404 2.0147 2.0147 2.1025 2.1025 2.1756 2.1756 2.3017 2.3017 5.4973 5.4973 7.0376 7.0376 7.0674 7.0674 8.6500 8.6500 9.3569 9.3569 9.3668 9.3668 10.3687 10.3687 10.6842 10.6842 12.3709 12.3709 k = 0.2333 0.1302 0.0000 ( 3254 PWs) bands (ev): -31.9110 -31.9110 -13.1917 -13.1917 -12.8320 -12.8320 -12.7915 -12.7915 -1.4748 -1.4748 0.4897 0.4897 1.3667 1.3667 1.3749 1.3749 1.4434 1.4434 1.6197 1.6197 1.8337 1.8337 1.9403 1.9403 2.0138 2.0138 2.1024 2.1024 2.1373 2.1373 2.2850 2.2850 5.6603 5.6603 7.0140 7.0140 7.0428 7.0428 8.6085 8.6085 9.4353 9.4353 9.4444 9.4444 10.3148 10.3148 10.7982 10.7982 12.3726 12.3726 k = 0.2500 0.1395 0.0000 ( 3254 PWs) bands (ev): -31.9110 -31.9110 -13.1918 -13.1918 -12.8321 -12.8321 -12.7916 -12.7916 -1.4364 -1.4364 0.4368 0.4368 1.3672 1.3672 1.3749 1.3749 1.4435 1.4435 1.6192 1.6192 1.8216 1.8216 1.9402 1.9402 2.0127 2.0127 2.0990 2.0990 2.1024 2.1024 2.2765 2.2765 5.8243 5.8243 6.9911 6.9911 7.0189 7.0189 8.5697 8.5697 9.5160 9.5160 9.5243 9.5243 10.2635 10.2635 10.9146 10.9146 12.3744 12.3744 k = 0.2667 0.1488 0.0000 ( 3254 PWs) bands (ev): -31.9110 -31.9110 -13.1919 -13.1919 -12.8322 -12.8322 -12.7916 -12.7916 -1.3954 -1.3954 0.3802 0.3802 1.3676 1.3676 1.3750 1.3750 1.4436 1.4436 1.6186 1.6186 1.8072 1.8072 1.9400 1.9400 2.0117 2.0117 2.0653 2.0653 2.1023 2.1023 2.2717 2.2717 5.9891 5.9891 6.9692 6.9692 6.9959 6.9959 8.5334 8.5334 9.5983 9.5983 9.6061 9.6061 10.2151 10.2151 11.0335 11.0335 12.3761 12.3761 k = 0.2833 0.1581 0.0000 ( 3254 PWs) bands (ev): -31.9110 -31.9110 -13.1919 -13.1919 -12.8324 -12.8324 -12.7916 -12.7916 -1.3521 -1.3521 0.3202 0.3202 1.3678 1.3678 1.3750 1.3750 1.4438 1.4438 1.6179 1.6179 1.7908 1.7908 1.9398 1.9398 2.0108 2.0108 2.0375 2.0375 2.1022 2.1022 2.2688 2.2688 6.1542 6.1542 6.9483 6.9483 6.9742 6.9742 8.4996 8.4996 9.6820 9.6820 9.6894 9.6894 10.1697 10.1697 11.1547 11.1547 12.2623 12.2623 k = 0.3000 0.1674 0.0000 ( 3254 PWs) bands (ev): -31.9110 -31.9110 -13.1920 -13.1920 -12.8325 -12.8325 -12.7916 -12.7916 -1.3064 -1.3064 0.2571 0.2571 1.3680 1.3680 1.3750 1.3750 1.4439 1.4439 1.6169 1.6169 1.7731 1.7731 1.9397 1.9397 2.0098 2.0098 2.0156 2.0156 2.1021 2.1021 2.2668 2.2668 6.3192 6.3192 6.9285 6.9285 6.9536 6.9536 8.4685 8.4685 9.7664 9.7664 9.7735 9.7735 10.1273 10.1273 11.2782 11.2782 12.0482 12.0482 k = 0.3167 0.1767 0.0000 ( 3258 PWs) bands (ev): -31.9110 -31.9110 -13.1921 -13.1921 -12.8326 -12.8326 -12.7916 -12.7916 -1.2584 -1.2584 0.1915 0.1915 1.3680 1.3680 1.3751 1.3751 1.4440 1.4440 1.6158 1.6158 1.7550 1.7550 1.9395 1.9395 1.9987 1.9987 2.0088 2.0088 2.1020 2.1020 2.2654 2.2654 6.4835 6.4835 6.9101 6.9101 6.9344 6.9344 8.4398 8.4398 9.8509 9.8509 9.8579 9.8579 10.0882 10.0882 11.4039 11.4039 11.8373 11.8373 k = 0.3333 0.1860 0.0000 ( 3266 PWs) bands (ev): -31.9110 -31.9110 -13.1922 -13.1922 -12.8328 -12.8328 -12.7917 -12.7917 -1.2081 -1.2081 0.1237 0.1237 1.3679 1.3679 1.3751 1.3751 1.4441 1.4441 1.6144 1.6144 1.7375 1.7375 1.9394 1.9394 1.9859 1.9859 2.0079 2.0079 2.1018 2.1018 2.2644 2.2644 6.6463 6.6463 6.8930 6.8930 6.9167 6.9167 8.4137 8.4137 9.9347 9.9347 9.9419 9.9419 10.0526 10.0526 11.5317 11.5317 11.6313 11.6313 k = 0.3500 0.1953 0.0000 ( 3270 PWs) bands (ev): -31.9110 -31.9110 -13.1923 -13.1923 -12.8329 -12.8329 -12.7917 -12.7917 -1.1556 -1.1556 0.0541 0.0541 1.3678 1.3678 1.3752 1.3752 1.4442 1.4442 1.6127 1.6127 1.7212 1.7212 1.9392 1.9392 1.9761 1.9761 2.0070 2.0070 2.1017 2.1017 2.2636 2.2636 6.8067 6.8067 6.8774 6.8774 6.9005 6.9005 8.3901 8.3901 10.0106 10.0106 10.0247 10.0247 10.0268 10.0268 11.4314 11.4314 11.6615 11.6615 k = 0.3667 0.2046 0.0000 ( 3282 PWs) bands (ev): -31.9110 -31.9110 -13.1924 -13.1924 -12.8330 -12.8330 -12.7917 -12.7917 -1.1011 -1.1011 -0.0168 -0.0168 1.3675 1.3675 1.3752 1.3752 1.4442 1.4442 1.6106 1.6106 1.7068 1.7068 1.9391 1.9391 1.9686 1.9686 2.0062 2.0062 2.1016 2.1016 2.2630 2.2630 6.8633 6.8633 6.8858 6.8858 6.9634 6.9634 8.3691 8.3691 9.9897 9.9897 10.0990 10.0990 10.1052 10.1052 11.2391 11.2391 11.7933 11.7933 k = 0.3833 0.2139 0.0000 ( 3282 PWs) bands (ev): -31.9110 -31.9110 -13.1925 -13.1925 -12.8331 -12.8331 -12.7917 -12.7917 -1.0444 -1.0444 -0.0886 -0.0886 1.3672 1.3672 1.3753 1.3753 1.4443 1.4443 1.6083 1.6083 1.6945 1.6945 1.9390 1.9390 1.9630 1.9630 2.0055 2.0055 2.1015 2.1015 2.2625 2.2625 6.8507 6.8507 6.8728 6.8728 7.1146 7.1146 8.3505 8.3505 9.9643 9.9643 10.1756 10.1756 10.1825 10.1825 11.0560 11.0560 11.9269 11.9269 k = 0.4000 0.2232 0.0000 ( 3290 PWs) bands (ev): -31.9110 -31.9110 -13.1926 -13.1926 -12.8333 -12.8333 -12.7917 -12.7917 -0.9859 -0.9859 -0.1609 -0.1609 1.3669 1.3669 1.3753 1.3753 1.4443 1.4443 1.6057 1.6057 1.6844 1.6844 1.9389 1.9389 1.9586 1.9586 2.0048 2.0048 2.1015 2.1015 2.2621 2.2621 6.8398 6.8398 6.8614 6.8614 7.2583 7.2583 8.3344 8.3344 9.9422 9.9422 10.2475 10.2475 10.2550 10.2550 10.8845 10.8845 12.0620 12.0620 k = 0.4167 0.2325 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1926 -13.1926 -12.8333 -12.8333 -12.7917 -12.7917 -0.9255 -0.9255 -0.2333 -0.2333 1.3665 1.3665 1.3754 1.3754 1.4443 1.4443 1.6030 1.6030 1.6765 1.6765 1.9388 1.9388 1.9553 1.9553 2.0042 2.0042 2.1014 2.1014 2.2618 2.2618 6.8305 6.8305 6.8517 6.8517 7.3916 7.3916 8.3209 8.3209 9.9237 9.9237 10.3132 10.3132 10.3212 10.3212 10.7273 10.7273 12.1986 12.1986 k = 0.4333 0.2418 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8334 -12.8334 -12.7917 -12.7917 -0.8635 -0.8635 -0.3055 -0.3055 1.3662 1.3662 1.3754 1.3754 1.4443 1.4443 1.6003 1.6003 1.6705 1.6705 1.9387 1.9387 1.9529 1.9529 2.0037 2.0037 2.1014 2.1014 2.2616 2.2616 6.8228 6.8228 6.8438 6.8438 7.5109 7.5109 8.3098 8.3098 9.9088 9.9088 10.3706 10.3706 10.3793 10.3793 10.5882 10.5882 12.3359 12.3359 k = 0.4500 0.2511 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.8002 -0.8002 -0.3769 -0.3769 1.3659 1.3659 1.3754 1.3754 1.4444 1.4444 1.5980 1.5980 1.6662 1.6662 1.9387 1.9387 1.9511 1.9511 2.0034 2.0034 2.1014 2.1014 2.2614 2.2614 6.8168 6.8168 6.8376 6.8376 7.6117 7.6117 8.3011 8.3011 9.8976 9.8976 10.4178 10.4178 10.4273 10.4273 10.4718 10.4718 12.3901 12.3904 k = 0.4667 0.2604 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.7362 -0.7362 -0.4467 -0.4467 1.3657 1.3657 1.3754 1.3754 1.4444 1.4444 1.5961 1.5961 1.6634 1.6634 1.9386 1.9386 1.9498 1.9498 2.0031 2.0031 2.1013 2.1013 2.2613 2.2613 6.8125 6.8125 6.8332 6.8332 7.6891 7.6891 8.2950 8.2950 9.8900 9.8900 10.3819 10.3819 10.4542 10.4542 10.4634 10.4634 12.3907 12.3907 k = 0.4833 0.2697 0.0000 ( 3298 PWs) bands (ev): -31.9111 -31.9111 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.6741 -0.6741 -0.5124 -0.5124 1.3655 1.3655 1.3754 1.3754 1.4444 1.4444 1.5949 1.5949 1.6617 1.6617 1.9386 1.9386 1.9491 1.9491 2.0029 2.0029 2.1013 2.1013 2.2612 2.2612 6.8099 6.8099 6.8305 6.8305 7.7381 7.7381 8.2913 8.2913 9.8857 9.8857 10.3258 10.3258 10.4761 10.4761 10.4859 10.4859 12.3910 12.3910 k = 0.5000 0.2790 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.6354 -0.6354 -0.5523 -0.5523 1.3655 1.3655 1.3754 1.3754 1.4444 1.4444 1.5946 1.5946 1.6612 1.6612 1.9386 1.9386 1.9489 1.9489 2.0029 2.0029 2.1013 2.1013 2.2612 2.2612 6.8091 6.8091 6.8296 6.8296 7.7549 7.7549 8.2901 8.2901 9.8843 9.8843 10.3065 10.3065 10.4836 10.4836 10.4935 10.4935 12.3911 12.3911 k = 0.5000 0.2790 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.6354 -0.6354 -0.5523 -0.5523 1.3655 1.3655 1.3754 1.3754 1.4444 1.4444 1.5946 1.5946 1.6612 1.6612 1.9386 1.9386 1.9489 1.9489 2.0029 2.0029 2.1013 2.1013 2.2612 2.2612 6.8091 6.8091 6.8296 6.8296 7.7549 7.7549 8.2901 8.2901 9.8843 9.8843 10.3065 10.3065 10.4836 10.4836 10.4935 10.4935 12.3911 12.3911 k = 0.4934 0.2908 0.0135 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7918 -12.7918 -0.6341 -0.6341 -0.5517 -0.5517 1.3658 1.3658 1.3756 1.3756 1.4446 1.4446 1.5947 1.5947 1.6614 1.6614 1.9386 1.9386 1.9489 1.9489 2.0028 2.0028 2.1012 2.1012 2.2607 2.2607 6.7962 6.7962 6.8246 6.8246 7.7548 7.7548 8.3043 8.3043 9.8917 9.8917 10.2761 10.2761 10.4883 10.4883 10.5124 10.5124 12.3609 12.3609 k = 0.4868 0.3026 0.0271 ( 3290 PWs) bands (ev): -31.9110 -31.9110 -13.1928 -13.1928 -12.8335 -12.8335 -12.7919 -12.7919 -0.6304 -0.6304 -0.5497 -0.5497 1.3667 1.3667 1.3763 1.3763 1.4449 1.4449 1.5950 1.5950 1.6619 1.6619 1.9385 1.9385 1.9491 1.9491 2.0026 2.0026 2.1008 2.1008 2.2593 2.2593 6.7453 6.7453 6.8245 6.8245 7.7545 7.7545 8.3444 8.3444 9.9141 9.9141 10.2077 10.2077 10.4911 10.4911 10.5581 10.5581 12.2977 12.2977 k = 0.4802 0.3145 0.0406 ( 3286 PWs) bands (ev): -31.9110 -31.9110 -13.1929 -13.1929 -12.8336 -12.8336 -12.7921 -12.7921 -0.6241 -0.6241 -0.5464 -0.5464 1.3681 1.3681 1.3772 1.3772 1.4455 1.4455 1.5956 1.5956 1.6628 1.6628 1.9383 1.9383 1.9495 1.9495 2.0022 2.0022 2.1001 2.1001 2.2568 2.2568 6.6628 6.6628 6.8286 6.8286 7.7540 7.7540 8.4042 8.4042 9.9515 9.9515 10.1223 10.1223 10.4948 10.4948 10.6075 10.6075 12.2256 12.2256 k = 0.4736 0.3263 0.0541 ( 3286 PWs) bands (ev): -31.9110 -31.9110 -13.1930 -13.1930 -12.8337 -12.8337 -12.7924 -12.7924 -0.6154 -0.6154 -0.5418 -0.5418 1.3702 1.3702 1.3785 1.3785 1.4464 1.4464 1.5963 1.5963 1.6641 1.6641 1.9380 1.9380 1.9500 1.9500 2.0017 2.0017 2.0992 2.0992 2.2534 2.2534 6.5578 6.5578 6.8350 6.8350 7.7530 7.7530 8.4764 8.4764 10.0031 10.0031 10.0274 10.0274 10.4998 10.4998 10.6550 10.6550 12.1493 12.1494 k = 0.4670 0.3381 0.0677 ( 3286 PWs) bands (ev): -31.9109 -31.9109 -13.1931 -13.1931 -12.8337 -12.8337 -12.7927 -12.7927 -0.6042 -0.6042 -0.5360 -0.5360 1.3727 1.3727 1.3802 1.3802 1.4475 1.4475 1.5973 1.5973 1.6657 1.6657 1.9375 1.9375 1.9508 1.9508 2.0011 2.0011 2.0980 2.0980 2.2490 2.2490 6.4367 6.4367 6.8435 6.8435 7.7517 7.7517 8.5547 8.5547 9.9227 9.9227 10.0716 10.0716 10.5061 10.5061 10.6996 10.6996 12.0410 12.0411 k = 0.4604 0.3499 0.0812 ( 3292 PWs) bands (ev): -31.9109 -31.9109 -13.1934 -13.1934 -12.8339 -12.8339 -12.7932 -12.7932 -0.5905 -0.5905 -0.5290 -0.5290 1.3756 1.3756 1.3824 1.3824 1.4488 1.4488 1.5984 1.5984 1.6677 1.6677 1.9369 1.9369 1.9518 1.9518 2.0003 2.0003 2.0965 2.0965 2.2438 2.2438 6.3046 6.3046 6.8538 6.8538 7.7496 7.7496 8.6345 8.6345 9.8130 9.8130 10.1527 10.1527 10.5137 10.5137 10.7414 10.7414 11.9148 11.9149 k = 0.4538 0.3618 0.0948 ( 3294 PWs) bands (ev): -31.9109 -31.9109 -13.1936 -13.1936 -12.8340 -12.8340 -12.7937 -12.7937 -0.5744 -0.5744 -0.5208 -0.5208 1.3788 1.3788 1.3851 1.3851 1.4504 1.4504 1.5999 1.5999 1.6700 1.6700 1.9360 1.9360 1.9531 1.9531 1.9993 1.9993 2.0949 2.0949 2.2376 2.2376 6.1648 6.1648 6.8659 6.8659 7.7468 7.7468 8.7127 8.7127 9.6983 9.6983 10.2467 10.2467 10.5225 10.5225 10.7811 10.7811 11.7918 11.7918 k = 0.4472 0.3736 0.1083 ( 3290 PWs) bands (ev): -31.9108 -31.9108 -13.1938 -13.1938 -12.8342 -12.8342 -12.7943 -12.7943 -0.5559 -0.5559 -0.5115 -0.5115 1.3821 1.3821 1.3886 1.3886 1.4523 1.4523 1.6016 1.6016 1.6726 1.6726 1.9350 1.9350 1.9546 1.9546 1.9982 1.9982 2.0930 2.0930 2.2307 2.2307 6.0202 6.0202 6.8797 6.8797 7.7429 7.7429 8.7879 8.7879 9.5795 9.5795 10.3510 10.3510 10.5325 10.5325 10.8194 10.8194 11.6749 11.6749 k = 0.4406 0.3854 0.1218 ( 3280 PWs) bands (ev): -31.9107 -31.9107 -13.1941 -13.1941 -12.8344 -12.8344 -12.7948 -12.7948 -0.5350 -0.5350 -0.5012 -0.5012 1.3856 1.3856 1.3928 1.3928 1.4545 1.4545 1.6036 1.6036 1.6757 1.6757 1.9338 1.9338 1.9564 1.9564 1.9971 1.9971 2.0910 2.0910 2.2229 2.2229 5.8725 5.8725 6.8951 6.8951 7.7376 7.7376 8.8593 8.8593 9.4574 9.4574 10.4621 10.4621 10.5436 10.5436 10.8568 10.8568 11.5666 11.5666 k = 0.4340 0.3972 0.1354 ( 3272 PWs) bands (ev): -31.9107 -31.9107 -13.1944 -13.1944 -12.8346 -12.8346 -12.7954 -12.7954 -0.5118 -0.5118 -0.4899 -0.4899 1.3891 1.3891 1.3977 1.3977 1.4569 1.4569 1.6058 1.6058 1.6790 1.6790 1.9324 1.9324 1.9584 1.9584 1.9957 1.9957 2.0890 2.0890 2.2145 2.2145 5.7232 5.7232 6.9121 6.9121 7.7307 7.7307 8.9272 8.9272 9.3329 9.3329 10.5537 10.5537 10.5770 10.5770 10.8939 10.8939 11.4709 11.4709 k = 0.4274 0.4090 0.1489 ( 3260 PWs) bands (ev): -31.9106 -31.9106 -13.1947 -13.1947 -12.8348 -12.8348 -12.7961 -12.7961 -0.4867 -0.4867 -0.4773 -0.4773 1.3928 1.3928 1.4031 1.4031 1.4596 1.4596 1.6084 1.6084 1.6827 1.6827 1.9309 1.9309 1.9607 1.9607 1.9943 1.9943 2.0869 2.0869 2.2053 2.2053 5.5734 5.5734 6.9305 6.9305 7.7218 7.7218 8.9920 8.9920 9.2064 9.2064 10.5673 10.5673 10.6819 10.6819 10.9313 10.9313 11.3952 11.3952 k = 0.4208 0.4209 0.1624 ( 3260 PWs) bands (ev): -31.9105 -31.9105 -13.1951 -13.1951 -12.8351 -12.8351 -12.7967 -12.7967 -0.4663 -0.4663 -0.4571 -0.4571 1.3967 1.3967 1.4088 1.4088 1.4625 1.4625 1.6112 1.6112 1.6867 1.6867 1.9293 1.9293 1.9630 1.9630 1.9928 1.9928 2.0847 2.0847 2.1955 2.1955 5.4240 5.4240 6.9503 6.9503 7.7106 7.7106 9.0542 9.0542 9.0788 9.0788 10.5804 10.5804 10.7655 10.7655 10.9691 10.9691 11.3529 11.3529 k = 0.4142 0.4327 0.1760 ( 3260 PWs) bands (ev): -31.9104 -31.9104 -13.1954 -13.1954 -12.8355 -12.8355 -12.7974 -12.7974 -0.4524 -0.4524 -0.4275 -0.4275 1.4009 1.4009 1.4149 1.4149 1.4657 1.4657 1.6142 1.6142 1.6910 1.6910 1.9276 1.9276 1.9652 1.9652 1.9912 1.9912 2.0827 2.0827 2.1851 2.1851 5.2756 5.2756 6.9713 6.9713 7.6968 7.6968 8.9499 8.9499 9.1150 9.1150 10.5936 10.5936 10.8074 10.8074 11.0078 11.0078 11.3621 11.3621 k = 0.4077 0.4445 0.1895 ( 3268 PWs) bands (ev): -31.9103 -31.9103 -13.1959 -13.1959 -12.8359 -12.8359 -12.7981 -12.7981 -0.4385 -0.4385 -0.3952 -0.3952 1.4052 1.4052 1.4212 1.4212 1.4692 1.4692 1.6175 1.6175 1.6956 1.6956 1.9258 1.9258 1.9673 1.9673 1.9896 1.9896 2.0808 2.0808 2.1741 2.1741 5.1289 5.1289 6.9935 6.9935 7.6800 7.6800 8.8208 8.8208 9.1746 9.1746 10.6066 10.6066 10.8022 10.8022 11.0476 11.0476 11.4263 11.4263 k = 0.4011 0.4563 0.2031 ( 3262 PWs) bands (ev): -31.9103 -31.9103 -13.1963 -13.1963 -12.8364 -12.8364 -12.7988 -12.7988 -0.4244 -0.4244 -0.3608 -0.3608 1.4100 1.4100 1.4277 1.4277 1.4729 1.4729 1.6211 1.6211 1.7007 1.7007 1.9240 1.9240 1.9690 1.9690 1.9882 1.9882 2.0794 2.0794 2.1626 2.1626 4.9844 4.9844 7.0167 7.0167 7.6598 7.6598 8.6917 8.6917 9.2336 9.2336 10.6192 10.6192 10.7668 10.7668 11.0885 11.0885 11.5240 11.5240 k = 0.3945 0.4681 0.2166 ( 3270 PWs) bands (ev): -31.9102 -31.9102 -13.1968 -13.1968 -12.8369 -12.8369 -12.7994 -12.7994 -0.4101 -0.4101 -0.3242 -0.3242 1.4151 1.4151 1.4343 1.4343 1.4770 1.4770 1.6248 1.6248 1.7061 1.7061 1.9221 1.9221 1.9699 1.9699 1.9870 1.9870 2.0784 2.0784 2.1508 2.1508 4.8426 4.8426 7.0409 7.0409 7.6359 7.6359 8.5627 8.5627 9.2926 9.2926 10.6306 10.6306 10.7192 10.7192 11.1307 11.1307 11.5361 11.5361 k = 0.3879 0.4800 0.2301 ( 3282 PWs) bands (ev): -31.9101 -31.9101 -13.1973 -13.1973 -12.8375 -12.8375 -12.8001 -12.8001 -0.3958 -0.3958 -0.2857 -0.2857 1.4204 1.4204 1.4410 1.4410 1.4813 1.4813 1.6287 1.6287 1.7118 1.7118 1.9201 1.9201 1.9699 1.9699 1.9863 1.9863 2.0781 2.0781 2.1386 2.1386 4.7039 4.7039 7.0659 7.0659 7.6082 7.6082 8.4342 8.4342 9.3520 9.3520 10.6399 10.6399 10.6700 10.6700 11.1741 11.1741 11.5131 11.5131 k = 0.3813 0.4918 0.2437 ( 3278 PWs) bands (ev): -31.9100 -31.9100 -13.1978 -13.1978 -12.8381 -12.8381 -12.8006 -12.8006 -0.3817 -0.3817 -0.2452 -0.2452 1.4261 1.4261 1.4477 1.4477 1.4859 1.4859 1.6327 1.6327 1.7180 1.7180 1.9183 1.9183 1.9689 1.9689 1.9859 1.9859 2.0786 2.0786 2.1263 2.1263 4.5688 4.5688 7.0917 7.0917 7.5763 7.5763 8.3064 8.3064 9.4121 9.4121 10.6219 10.6219 10.6489 10.6489 11.2189 11.2189 11.4938 11.4938 k = 0.3747 0.5036 0.2572 ( 3278 PWs) bands (ev): -31.9099 -31.9099 -13.1983 -13.1983 -12.8387 -12.8387 -12.8012 -12.8012 -0.3680 -0.3680 -0.2029 -0.2029 1.4322 1.4322 1.4543 1.4543 1.4908 1.4908 1.6368 1.6368 1.7246 1.7246 1.9164 1.9164 1.9670 1.9670 1.9856 1.9856 2.0800 2.0800 2.1138 2.1138 4.4376 4.4376 7.1181 7.1181 7.5403 7.5403 8.1795 8.1795 9.4731 9.4731 10.5814 10.5814 10.6525 10.6525 11.2647 11.2647 11.4792 11.4792 k = 0.3681 0.5154 0.2707 ( 3280 PWs) bands (ev): -31.9098 -31.9098 -13.1988 -13.1988 -12.8393 -12.8393 -12.8016 -12.8016 -0.3549 -0.3549 -0.1590 -0.1590 1.4387 1.4387 1.4607 1.4607 1.4958 1.4958 1.6409 1.6409 1.7316 1.7316 1.9146 1.9146 1.9645 1.9645 1.9850 1.9850 2.0825 2.0825 2.1011 2.1011 4.3109 4.3109 7.1450 7.1450 7.5001 7.5001 8.0538 8.0538 9.5353 9.5353 10.5476 10.5476 10.6520 10.6520 11.3113 11.3113 11.4693 11.4693 k = 0.3615 0.5272 0.2843 ( 3272 PWs) bands (ev): -31.9097 -31.9097 -13.1993 -13.1993 -12.8400 -12.8400 -12.8021 -12.8021 -0.3425 -0.3425 -0.1135 -0.1135 1.4456 1.4456 1.4671 1.4671 1.5012 1.5012 1.6449 1.6449 1.7390 1.7390 1.9129 1.9129 1.9614 1.9614 1.9841 1.9841 2.0857 2.0857 2.0887 2.0887 4.1891 4.1891 7.1725 7.1725 7.4557 7.4557 7.9293 7.9293 9.5987 9.5987 10.5214 10.5214 10.6460 10.6460 11.3580 11.3580 11.4645 11.4645 k = 0.3549 0.5391 0.2978 ( 3274 PWs) bands (ev): -31.9096 -31.9096 -13.1998 -13.1998 -12.8407 -12.8407 -12.8025 -12.8025 -0.3311 -0.3311 -0.0665 -0.0665 1.4529 1.4529 1.4733 1.4733 1.5068 1.5068 1.6488 1.6488 1.7468 1.7468 1.9113 1.9113 1.9580 1.9580 1.9828 1.9828 2.0760 2.0760 2.0900 2.0900 4.0727 4.0727 7.2003 7.2003 7.4075 7.4075 7.8062 7.8062 9.6635 9.6635 10.5032 10.5032 10.6330 10.6330 11.4034 11.4034 11.4650 11.4650 k = 0.3483 0.5509 0.3113 ( 3278 PWs) bands (ev): -31.9095 -31.9095 -13.2003 -13.2003 -12.8415 -12.8415 -12.8028 -12.8028 -0.3210 -0.3210 -0.0183 -0.0183 1.4604 1.4604 1.4793 1.4793 1.5125 1.5125 1.6525 1.6525 1.7550 1.7550 1.9098 1.9098 1.9543 1.9543 1.9812 1.9812 2.0637 2.0637 2.0946 2.0946 3.9622 3.9622 7.2283 7.2283 7.3557 7.3557 7.6846 7.6846 9.7297 9.7297 10.4931 10.4931 10.6120 10.6120 11.4439 11.4439 11.4719 11.4719 k = 0.3417 0.5627 0.3249 ( 3280 PWs) bands (ev): -31.9095 -31.9095 -13.2008 -13.2008 -12.8422 -12.8422 -12.8031 -12.8031 -0.3124 -0.3124 0.0310 0.0310 1.4685 1.4685 1.4851 1.4851 1.5183 1.5183 1.6558 1.6558 1.7636 1.7636 1.9083 1.9083 1.9504 1.9504 1.9794 1.9794 2.0517 2.0517 2.0993 2.0993 3.8582 3.8582 7.2564 7.2564 7.3009 7.3009 7.5648 7.5648 9.7974 9.7974 10.4909 10.4909 10.5819 10.5819 11.4711 11.4711 11.4882 11.4882 k = 0.3351 0.5745 0.3384 ( 3288 PWs) bands (ev): -31.9094 -31.9094 -13.2013 -13.2013 -12.8429 -12.8429 -12.8034 -12.8034 -0.3055 -0.3055 0.0811 0.0811 1.4769 1.4769 1.4908 1.4908 1.5241 1.5241 1.6589 1.6589 1.7725 1.7725 1.9069 1.9069 1.9463 1.9463 1.9775 1.9775 2.0402 2.0402 2.1036 2.1036 3.7614 3.7614 7.2420 7.2420 7.2857 7.2857 7.4468 7.4468 9.8666 9.8666 10.4959 10.4959 10.5427 10.5427 11.4886 11.4886 11.5008 11.5008 k = 0.3285 0.5863 0.3520 ( 3284 PWs) bands (ev): -31.9093 -31.9093 -13.2018 -13.2018 -12.8436 -12.8436 -12.8036 -12.8036 -0.3005 -0.3005 0.1319 0.1319 1.4855 1.4855 1.4965 1.4965 1.5300 1.5300 1.6615 1.6615 1.7818 1.7818 1.9057 1.9057 1.9422 1.9422 1.9759 1.9759 2.0294 2.0294 2.1073 2.1073 3.6723 3.6723 7.1820 7.1820 7.3113 7.3113 7.3334 7.3334 9.9372 9.9372 10.4881 10.4881 10.5140 10.5140 11.4862 11.4862 11.5120 11.5120 k = 0.3219 0.5982 0.3655 ( 3276 PWs) bands (ev): -31.9092 -31.9092 -13.2022 -13.2022 -12.8443 -12.8443 -12.8038 -12.8038 -0.2977 -0.2977 0.1831 0.1831 1.4938 1.4938 1.5025 1.5025 1.5359 1.5359 1.6636 1.6636 1.7913 1.7913 1.9045 1.9045 1.9382 1.9382 1.9745 1.9745 2.0197 2.0197 2.1098 2.1098 3.5917 3.5917 7.1199 7.1199 7.2154 7.2154 7.3438 7.3438 10.0092 10.0092 10.4313 10.4313 10.5320 10.5320 11.4534 11.4534 11.5369 11.5369 k = 0.3153 0.6100 0.3790 ( 3276 PWs) bands (ev): -31.9092 -31.9092 -13.2026 -13.2026 -12.8449 -12.8449 -12.8040 -12.8040 -0.2973 -0.2973 0.2343 0.2343 1.5008 1.5008 1.5098 1.5098 1.5418 1.5418 1.6651 1.6651 1.8010 1.8010 1.9033 1.9033 1.9343 1.9343 1.9732 1.9732 2.0118 2.0118 2.1104 2.1104 3.5201 3.5201 7.0565 7.0565 7.1034 7.1034 7.3724 7.3724 10.0824 10.0824 10.3642 10.3642 10.5587 10.5587 11.4088 11.4088 11.5670 11.5670 k = 0.3087 0.6218 0.3926 ( 3280 PWs) bands (ev): -31.9091 -31.9091 -13.2030 -13.2030 -12.8456 -12.8456 -12.8041 -12.8041 -0.2996 -0.2996 0.2854 0.2854 1.5063 1.5063 1.5184 1.5184 1.5476 1.5476 1.6658 1.6658 1.8106 1.8106 1.9021 1.9021 1.9306 1.9306 1.9710 1.9710 2.0071 2.0071 2.1089 2.1089 3.4583 3.4583 6.9920 6.9920 6.9936 6.9936 7.4014 7.4014 10.1562 10.1562 10.2903 10.2903 10.5919 10.5919 11.3595 11.3595 11.6021 11.6021 k = 0.3021 0.6336 0.4061 ( 3288 PWs) bands (ev): -31.9090 -31.9090 -13.2034 -13.2034 -12.8461 -12.8461 -12.8042 -12.8042 -0.3046 -0.3046 0.3360 0.3360 1.5107 1.5107 1.5275 1.5275 1.5536 1.5536 1.6657 1.6657 1.8199 1.8199 1.9008 1.9008 1.9274 1.9274 1.9671 1.9671 2.0071 2.0071 2.1050 2.1050 3.4066 3.4066 6.8855 6.8855 6.9278 6.9278 7.4304 7.4304 10.1997 10.1997 10.2418 10.2418 10.6310 10.6310 11.3088 11.3088 11.6422 11.6422 k = 0.2955 0.6455 0.4196 ( 3288 PWs) bands (ev): -31.9090 -31.9090 -13.2037 -13.2037 -12.8466 -12.8466 -12.8043 -12.8043 -0.3127 -0.3127 0.3856 0.3856 1.5144 1.5144 1.5361 1.5361 1.5603 1.5603 1.6646 1.6646 1.8289 1.8289 1.8991 1.8991 1.9250 1.9250 1.9613 1.9613 2.0127 2.0127 2.0985 2.0985 3.3654 3.3654 6.7800 6.7800 6.8636 6.8636 7.4595 7.4595 10.1198 10.1198 10.3129 10.3129 10.6753 10.6753 11.2584 11.2584 11.6872 11.6872 k = 0.2889 0.6573 0.4332 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8471 -12.8471 -12.8044 -12.8044 -0.3239 -0.3239 0.4341 0.4341 1.5175 1.5175 1.5437 1.5437 1.5678 1.5678 1.6626 1.6626 1.8369 1.8369 1.8973 1.8973 1.9234 1.9234 1.9544 1.9544 2.0233 2.0233 2.0901 2.0901 3.3346 3.3346 6.6770 6.6770 6.8002 6.8002 7.4887 7.4887 10.0306 10.0306 10.3906 10.3906 10.7244 10.7244 11.2090 11.2090 11.7371 11.7371 k = 0.2889 0.6573 0.4332 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2039 -13.2039 -12.8471 -12.8471 -12.8044 -12.8044 -0.3239 -0.3239 0.4341 0.4341 1.5175 1.5175 1.5437 1.5437 1.5678 1.5678 1.6626 1.6626 1.8369 1.8369 1.8973 1.8973 1.9234 1.9234 1.9544 1.9544 2.0233 2.0233 2.0901 2.0901 3.3346 3.3346 6.6770 6.6770 6.8002 6.8002 7.4887 7.4887 10.0306 10.0306 10.3906 10.3906 10.7244 10.7244 11.2090 11.2090 11.7371 11.7371 k = 0.2709 0.6529 0.4382 ( 3284 PWs) bands (ev): -31.9089 -31.9089 -13.2040 -13.2040 -12.8472 -12.8472 -12.8044 -12.8044 -0.3301 -0.3301 0.4527 0.4527 1.5185 1.5185 1.5461 1.5461 1.5708 1.5708 1.6616 1.6616 1.8396 1.8396 1.8967 1.8967 1.9230 1.9230 1.9516 1.9516 2.0273 2.0273 2.0876 2.0876 3.3287 3.3287 6.5608 6.5608 6.8569 6.8569 7.5000 7.5000 9.9949 9.9949 10.4164 10.4164 10.7232 10.7232 11.1994 11.1994 11.7364 11.7364 k = 0.2528 0.6486 0.4432 ( 3283 PWs) bands (ev): -31.9089 -31.9089 -13.2041 -13.2041 -12.8474 -12.8474 -12.8044 -12.8044 -0.3384 -0.3384 0.4729 0.4729 1.5195 1.5195 1.5482 1.5482 1.5740 1.5740 1.6603 1.6603 1.8423 1.8423 1.8962 1.8962 1.9227 1.9227 1.9488 1.9488 2.0299 2.0299 2.0870 2.0870 3.3302 3.3302 6.4080 6.4080 6.9528 6.9528 7.5122 7.5122 9.9561 9.9561 10.4318 10.4318 10.6917 10.6917 11.2020 11.2020 11.7080 11.7080 k = 0.2347 0.6442 0.4482 ( 3282 PWs) bands (ev): -31.9089 -31.9089 -13.2042 -13.2042 -12.8475 -12.8475 -12.8044 -12.8044 -0.3484 -0.3484 0.4938 0.4938 1.5205 1.5205 1.5501 1.5501 1.5773 1.5773 1.6588 1.6588 1.8448 1.8448 1.8959 1.8959 1.9224 1.9224 1.9458 1.9458 2.0308 2.0308 2.0878 2.0878 3.3394 3.3394 6.2535 6.2535 7.0535 7.0535 7.5251 7.5251 9.9154 9.9154 10.4242 10.4242 10.6562 10.6562 11.2078 11.2078 11.6692 11.6692 k = 0.2167 0.6398 0.4531 ( 3280 PWs) bands (ev): -31.9089 -31.9089 -13.2042 -13.2042 -12.8476 -12.8476 -12.8044 -12.8044 -0.3593 -0.3593 0.5147 0.5147 1.5215 1.5215 1.5517 1.5517 1.5807 1.5807 1.6572 1.6572 1.8471 1.8471 1.8957 1.8957 1.9220 1.9220 1.9428 1.9428 2.0306 2.0306 2.0895 2.0895 3.3565 3.3565 6.1006 6.1006 7.1557 7.1557 7.5386 7.5386 9.8739 9.8739 10.3777 10.3777 10.6437 10.6437 11.2112 11.2112 11.6283 11.6283 k = 0.1986 0.6355 0.4581 ( 3280 PWs) bands (ev): -31.9089 -31.9089 -13.2043 -13.2043 -12.8477 -12.8477 -12.8044 -12.8044 -0.3707 -0.3707 0.5353 0.5353 1.5224 1.5224 1.5531 1.5531 1.5842 1.5842 1.6553 1.6553 1.8494 1.8494 1.8957 1.8957 1.9216 1.9216 1.9399 1.9399 2.0295 2.0295 2.0913 2.0913 3.3813 3.3813 5.9506 5.9506 7.2583 7.2583 7.5523 7.5523 9.8328 9.8328 10.2976 10.2976 10.6563 10.6563 11.2104 11.2104 11.5882 11.5882 k = 0.1806 0.6311 0.4631 ( 3276 PWs) bands (ev): -31.9088 -31.9088 -13.2043 -13.2043 -12.8478 -12.8478 -12.8044 -12.8044 -0.3821 -0.3821 0.5549 0.5549 1.5234 1.5234 1.5542 1.5542 1.5878 1.5878 1.6532 1.6532 1.8515 1.8515 1.8960 1.8960 1.9210 1.9210 1.9372 1.9372 2.0281 2.0281 2.0929 2.0929 3.4136 3.4136 5.8041 5.8041 7.3609 7.3609 7.5661 7.5661 9.7926 9.7926 10.2000 10.2000 10.6821 10.6821 11.2058 11.2058 11.5502 11.5502 k = 0.1625 0.6268 0.4681 ( 3278 PWs) bands (ev): -31.9088 -31.9088 -13.2044 -13.2044 -12.8478 -12.8478 -12.8044 -12.8044 -0.3933 -0.3933 0.5732 0.5732 1.5244 1.5244 1.5550 1.5550 1.5914 1.5914 1.6509 1.6509 1.8536 1.8536 1.8964 1.8964 1.9202 1.9202 1.9346 1.9346 2.0266 2.0266 2.0939 2.0939 3.4530 3.4530 5.6618 5.6618 7.4627 7.4627 7.5797 7.5797 9.7542 9.7542 10.0948 10.0948 10.7140 10.7140 11.1979 11.1979 11.5151 11.5151 k = 0.1445 0.6224 0.4731 ( 3278 PWs) bands (ev): -31.9088 -31.9088 -13.2044 -13.2044 -12.8479 -12.8479 -12.8044 -12.8044 -0.4038 -0.4038 0.5901 0.5901 1.5253 1.5253 1.5557 1.5557 1.5950 1.5950 1.6485 1.6485 1.8554 1.8554 1.8970 1.8970 1.9193 1.9193 1.9321 1.9321 2.0251 2.0251 2.0942 2.0942 3.4988 3.4988 5.5245 5.5245 7.5626 7.5626 7.5935 7.5935 9.7182 9.7182 9.9872 9.9872 10.7487 10.7487 11.1875 11.1875 11.4832 11.4832 k = 0.1264 0.6180 0.4781 ( 3271 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8480 -12.8480 -12.8044 -12.8044 -0.4136 -0.4136 0.6052 0.6052 1.5262 1.5262 1.5562 1.5562 1.5987 1.5987 1.6459 1.6459 1.8572 1.8572 1.8978 1.8978 1.9183 1.9183 1.9299 1.9299 2.0238 2.0238 2.0940 2.0940 3.5501 3.5501 5.3931 5.3931 7.6046 7.6046 7.6618 7.6618 9.6849 9.6849 9.8805 9.8805 10.7846 10.7846 11.1750 11.1750 11.4548 11.4548 k = 0.1083 0.6137 0.4831 ( 3272 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8480 -12.8480 -12.8044 -12.8044 -0.4223 -0.4223 0.6185 0.6185 1.5270 1.5270 1.5566 1.5566 1.6023 1.6023 1.6432 1.6432 1.8588 1.8588 1.8986 1.8986 1.9172 1.9172 1.9279 1.9279 2.0227 2.0227 2.0932 2.0932 3.6054 3.6054 5.2688 5.2688 7.6164 7.6164 7.7559 7.7559 9.6549 9.6549 9.7774 9.7774 10.8206 10.8206 11.1608 11.1608 11.4299 11.4299 k = 0.0903 0.6093 0.4881 ( 3275 PWs) bands (ev): -31.9088 -31.9088 -13.2045 -13.2045 -12.8481 -12.8481 -12.8044 -12.8044 -0.4299 -0.4299 0.6299 0.6299 1.5277 1.5277 1.5569 1.5569 1.6060 1.6060 1.6403 1.6403 1.8602 1.8602 1.8995 1.8995 1.9161 1.9161 1.9261 1.9261 2.0219 2.0219 2.0921 2.0921 3.6629 3.6629 5.1533 5.1533 7.6266 7.6266 7.8446 7.8446 9.6281 9.6281 9.6810 9.6810 10.8560 10.8560 11.1451 11.1451 11.4087 11.4087 k = 0.0722 0.6050 0.4931 ( 3280 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8481 -12.8481 -12.8044 -12.8044 -0.4363 -0.4363 0.6393 0.6393 1.5283 1.5283 1.5570 1.5570 1.6096 1.6096 1.6372 1.6372 1.8614 1.8614 1.9002 1.9002 1.9152 1.9152 1.9244 1.9244 2.0213 2.0213 2.0908 2.0908 3.7201 3.7201 5.0491 5.0491 7.6354 7.6354 7.9255 7.9255 9.5873 9.5873 9.6115 9.6115 10.8900 10.8900 11.1280 11.1280 11.3913 11.3913 k = 0.0542 0.6006 0.4981 ( 3278 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8044 -12.8044 -0.4414 -0.4414 0.6466 0.6466 1.5288 1.5288 1.5571 1.5571 1.6132 1.6132 1.6342 1.6342 1.8625 1.8625 1.9008 1.9008 1.9146 1.9146 1.9229 1.9229 2.0208 2.0208 2.0896 2.0896 3.7734 3.7734 4.9594 4.9594 7.6425 7.6425 7.9952 7.9952 9.5143 9.5143 9.5915 9.5915 10.9218 10.9218 11.1100 11.1100 11.3777 11.3777 k = 0.0361 0.5962 0.5031 ( 3279 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8044 -12.8044 -0.4450 -0.4450 0.6518 0.6518 1.5292 1.5292 1.5572 1.5572 1.6166 1.6166 1.6310 1.6310 1.8633 1.8633 1.9012 1.9012 1.9144 1.9144 1.9216 1.9216 2.0206 2.0206 2.0887 2.0887 3.8180 3.8180 4.8888 4.8888 7.6476 7.6476 8.0498 8.0498 9.4556 9.4556 9.5786 9.5786 10.9500 10.9500 11.0920 11.0920 11.3680 11.3680 k = 0.0181 0.5919 0.5081 ( 3281 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8044 -12.8044 -0.4472 -0.4472 0.6550 0.6550 1.5294 1.5294 1.5572 1.5572 1.6199 1.6199 1.6279 1.6279 1.8637 1.8637 1.9014 1.9014 1.9145 1.9145 1.9207 1.9207 2.0204 2.0204 2.0880 2.0880 3.8482 3.8482 4.8431 4.8431 7.6508 7.6508 8.0849 8.0849 9.4178 9.4178 9.5708 9.5708 10.9718 10.9718 11.0764 11.0764 11.3622 11.3622 k = 0.0000 0.5875 0.5131 ( 3282 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8044 -12.8044 -0.4480 -0.4480 0.6560 0.6560 1.5295 1.5295 1.5572 1.5572 1.6219 1.6219 1.6260 1.6260 1.8639 1.8639 1.9015 1.9015 1.9145 1.9145 1.9203 1.9203 2.0204 2.0204 2.0878 2.0878 3.8590 3.8590 4.8271 4.8271 7.6519 7.6519 8.0971 8.0971 9.4047 9.4047 9.5683 9.5683 10.9808 10.9808 11.0695 11.0695 11.3602 11.3602 k = 0.0000 0.5875 0.5131 ( 3282 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8044 -12.8044 -0.4480 -0.4480 0.6560 0.6560 1.5295 1.5295 1.5572 1.5572 1.6219 1.6219 1.6260 1.6260 1.8639 1.8639 1.9015 1.9015 1.9145 1.9145 1.9203 1.9203 2.0204 2.0204 2.0878 2.0878 3.8590 3.8590 4.8271 4.8271 7.6519 7.6519 8.0971 8.0971 9.4047 9.4047 9.5683 9.5683 10.9808 10.9808 11.0695 11.0695 11.3602 11.3602 k = 0.0066 0.5757 0.5266 ( 3278 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8482 -12.8482 -12.8045 -12.8045 -0.4474 -0.4474 0.6567 0.6567 1.5288 1.5288 1.5576 1.5576 1.6186 1.6186 1.6292 1.6292 1.8636 1.8636 1.9010 1.9010 1.9142 1.9142 1.9214 1.9214 2.0208 2.0208 2.0889 2.0889 3.8596 3.8596 4.8281 4.8281 7.6452 7.6452 8.0947 8.0947 9.4057 9.4057 9.5422 9.5422 11.0086 11.0086 11.0681 11.0681 11.3707 11.3707 k = 0.0132 0.5639 0.5401 ( 3276 PWs) bands (ev): -31.9088 -31.9088 -13.2046 -13.2046 -12.8481 -12.8481 -12.8047 -12.8047 -0.4458 -0.4458 0.6589 0.6589 1.5268 1.5268 1.5586 1.5586 1.6139 1.6139 1.6336 1.6336 1.8625 1.8625 1.8994 1.8994 1.9138 1.9138 1.9236 1.9236 2.0218 2.0218 2.0923 2.0923 3.8614 3.8614 4.8309 4.8309 7.6254 7.6254 8.0877 8.0877 9.4083 9.4083 9.4701 9.4701 11.0634 11.0634 11.0879 11.0879 11.4006 11.4006 k = 0.0197 0.5522 0.5536 ( 3280 PWs) bands (ev): -31.9088 -31.9088 -13.2047 -13.2047 -12.8481 -12.8481 -12.8050 -12.8050 -0.4431 -0.4431 0.6625 0.6625 1.5239 1.5239 1.5597 1.5597 1.6093 1.6093 1.6379 1.6379 1.8609 1.8609 1.8969 1.8969 1.9142 1.9142 1.9264 1.9264 2.0236 2.0236 2.0979 2.0979 3.8644 3.8644 4.8356 4.8356 7.5932 7.5932 8.0758 8.0758 9.3597 9.3597 9.4168 9.4168 11.0610 11.0610 11.2032 11.2032 11.4470 11.4470 k = 0.0263 0.5404 0.5671 ( 3278 PWs) bands (ev): -31.9087 -31.9087 -13.2048 -13.2048 -12.8480 -12.8480 -12.8054 -12.8054 -0.4394 -0.4394 0.6675 0.6675 1.5203 1.5203 1.5603 1.5603 1.6054 1.6054 1.6419 1.6419 1.8588 1.8588 1.8939 1.8939 1.9154 1.9154 1.9293 1.9293 2.0260 2.0260 2.1055 2.1055 3.8686 3.8686 4.8420 4.8420 7.5497 7.5497 8.0589 8.0589 9.2305 9.2305 9.4235 9.4235 11.0605 11.0605 11.3452 11.3452 11.5064 11.5064 k = 0.0329 0.5286 0.5806 ( 3280 PWs) bands (ev): -31.9087 -31.9087 -13.2049 -13.2049 -12.8478 -12.8478 -12.8059 -12.8059 -0.4347 -0.4347 0.6738 0.6738 1.5163 1.5163 1.5598 1.5598 1.6026 1.6026 1.6456 1.6456 1.8562 1.8562 1.8905 1.8905 1.9171 1.9171 1.9324 1.9324 2.0289 2.0289 2.1149 2.1149 3.8740 3.8740 4.8502 4.8502 7.4961 7.4961 8.0369 8.0369 9.0864 9.0864 9.4331 9.4331 11.0637 11.0637 11.5041 11.5041 11.5762 11.5762 k = 0.0395 0.5168 0.5941 ( 3276 PWs) bands (ev): -31.9087 -31.9087 -13.2050 -13.2050 -12.8477 -12.8477 -12.8065 -12.8065 -0.4289 -0.4289 0.6815 0.6815 1.5119 1.5119 1.5577 1.5577 1.6014 1.6014 1.6490 1.6490 1.8535 1.8535 1.8871 1.8871 1.9193 1.9193 1.9358 1.9358 2.0324 2.0324 2.1260 2.1260 3.8805 3.8805 4.8601 4.8601 7.4338 7.4338 8.0099 8.0099 8.9339 8.9339 9.4449 9.4449 11.0711 11.0711 11.6514 11.6514 11.6763 11.6763 k = 0.0461 0.5050 0.6076 ( 3280 PWs) bands (ev): -31.9086 -31.9086 -13.2052 -13.2052 -12.8475 -12.8475 -12.8072 -12.8072 -0.4222 -0.4222 0.6904 0.6904 1.5073 1.5073 1.5539 1.5539 1.6016 1.6016 1.6522 1.6522 1.8505 1.8505 1.8838 1.8838 1.9218 1.9218 1.9393 1.9393 2.0363 2.0363 2.1387 2.1387 3.8881 3.8881 4.8715 4.8715 7.3642 7.3642 7.9781 7.9781 8.7769 8.7769 9.4585 9.4585 11.0827 11.0827 11.7351 11.7351 11.8523 11.8523 k = 0.0526 0.4932 0.6211 ( 3274 PWs) bands (ev): -31.9086 -31.9086 -13.2053 -13.2053 -12.8473 -12.8473 -12.8080 -12.8080 -0.4145 -0.4145 0.7005 0.7005 1.5025 1.5025 1.5487 1.5487 1.6032 1.6032 1.6551 1.6551 1.8475 1.8475 1.8806 1.8806 1.9246 1.9246 1.9430 1.9430 2.0404 2.0404 2.1529 2.1529 3.8969 3.8969 4.8842 4.8842 7.2884 7.2884 7.9417 7.9417 8.6179 8.6179 9.4740 9.4740 11.0983 11.0983 11.8208 11.8208 12.0332 12.0332 k = 0.0592 0.4814 0.6346 ( 3276 PWs) bands (ev): -31.9085 -31.9085 -13.2055 -13.2055 -12.8470 -12.8470 -12.8089 -12.8089 -0.4059 -0.4059 0.7116 0.7116 1.4975 1.4975 1.5424 1.5424 1.6058 1.6058 1.6580 1.6580 1.8446 1.8446 1.8777 1.8777 1.9277 1.9277 1.9470 1.9470 2.0448 2.0448 2.1684 2.1684 3.9068 3.9068 4.8982 4.8982 7.2078 7.2078 7.9009 7.9009 8.4585 8.4585 9.4909 9.4909 11.1177 11.1177 11.9071 11.9071 12.2151 12.2151 k = 0.0658 0.4696 0.6481 ( 3272 PWs) bands (ev): -31.9084 -31.9084 -13.2057 -13.2057 -12.8468 -12.8468 -12.8099 -12.8099 -0.3965 -0.3965 0.7238 0.7238 1.4925 1.4925 1.5354 1.5354 1.6089 1.6089 1.6607 1.6607 1.8417 1.8417 1.8750 1.8750 1.9310 1.9310 1.9513 1.9513 2.0492 2.0492 2.1854 2.1854 3.9177 3.9177 4.9131 4.9131 7.1234 7.1234 7.8561 7.8561 8.3001 8.3001 9.5091 9.5091 11.1403 11.1403 11.9917 11.9917 12.3939 12.3939 k = 0.0724 0.4578 0.6616 ( 3270 PWs) bands (ev): -31.9084 -31.9084 -13.2059 -13.2059 -12.8465 -12.8465 -12.8109 -12.8109 -0.3862 -0.3862 0.7368 0.7368 1.4872 1.4872 1.5279 1.5279 1.6124 1.6124 1.6636 1.6636 1.8390 1.8390 1.8725 1.8725 1.9345 1.9345 1.9557 1.9557 2.0537 2.0537 2.2036 2.2036 3.9296 3.9296 4.9287 4.9287 7.0361 7.0361 7.8079 7.8079 8.1436 8.1436 9.5284 9.5284 11.1658 11.1658 12.0723 12.0723 12.5432 12.5432 k = 0.0789 0.4460 0.6751 ( 3272 PWs) bands (ev): -31.9083 -31.9083 -13.2061 -13.2061 -12.8462 -12.8462 -12.8121 -12.8121 -0.3752 -0.3752 0.7506 0.7506 1.4818 1.4818 1.5201 1.5201 1.6162 1.6162 1.6665 1.6665 1.8365 1.8365 1.8702 1.8702 1.9383 1.9383 1.9603 1.9603 2.0582 2.0582 2.2233 2.2233 3.9425 3.9425 4.9447 4.9447 6.9470 6.9470 7.7564 7.7564 7.9898 7.9898 9.5484 9.5484 11.1938 11.1938 12.1468 12.1468 12.5017 12.5017 k = 0.0855 0.4343 0.6886 ( 3272 PWs) bands (ev): -31.9082 -31.9082 -13.2064 -13.2064 -12.8459 -12.8459 -12.8132 -12.8132 -0.3635 -0.3635 0.7651 0.7651 1.4764 1.4764 1.5120 1.5120 1.6201 1.6201 1.6698 1.6698 1.8342 1.8342 1.8683 1.8683 1.9423 1.9423 1.9651 1.9651 2.0625 2.0625 2.2443 2.2443 3.9563 3.9563 4.9608 4.9608 6.8568 6.8568 7.7021 7.7021 7.8396 7.8396 9.5687 9.5687 11.2239 11.2239 12.2135 12.2135 12.3945 12.3945 k = 0.0921 0.4225 0.7021 ( 3268 PWs) bands (ev): -31.9081 -31.9081 -13.2066 -13.2066 -12.8455 -12.8455 -12.8145 -12.8145 -0.3512 -0.3512 0.7801 0.7801 1.4708 1.4708 1.5039 1.5039 1.6240 1.6240 1.6733 1.6733 1.8321 1.8321 1.8665 1.8665 1.9465 1.9465 1.9699 1.9699 2.0667 2.0667 2.2667 2.2667 3.9709 3.9709 4.9764 4.9764 6.7662 6.7662 7.6448 7.6448 7.6941 7.6941 9.5888 9.5888 11.2557 11.2557 12.2703 12.2703 12.2837 12.2837 k = 0.0987 0.4107 0.7156 ( 3262 PWs) bands (ev): -31.9081 -31.9081 -13.2069 -13.2069 -12.8452 -12.8452 -12.8157 -12.8157 -0.3383 -0.3383 0.7954 0.7954 1.4652 1.4652 1.4957 1.4957 1.6281 1.6281 1.6773 1.6773 1.8304 1.8304 1.8650 1.8650 1.9508 1.9508 1.9749 1.9749 2.0707 2.0707 2.2906 2.2906 3.9864 3.9864 4.9911 4.9911 6.6759 6.6759 7.5502 7.5502 7.5890 7.5890 9.6083 9.6083 11.2888 11.2888 12.1721 12.1721 12.3196 12.3196 k = 0.1053 0.3989 0.7291 ( 3260 PWs) bands (ev): -31.9080 -31.9080 -13.2072 -13.2072 -12.8448 -12.8448 -12.8170 -12.8170 -0.3249 -0.3249 0.8110 0.8110 1.4595 1.4595 1.4875 1.4875 1.6321 1.6321 1.6818 1.6818 1.8288 1.8288 1.8636 1.8636 1.9554 1.9554 1.9799 1.9799 2.0744 2.0744 2.3160 2.3160 4.0025 4.0025 5.0041 5.0041 6.5864 6.5864 7.4155 7.4155 7.5281 7.5281 9.6264 9.6264 11.3229 11.3229 12.0654 12.0654 12.3587 12.3587 k = 0.1118 0.3871 0.7426 ( 3258 PWs) bands (ev): -31.9079 -31.9079 -13.2075 -13.2075 -12.8445 -12.8445 -12.8183 -12.8183 -0.3112 -0.3112 0.8267 0.8267 1.4537 1.4537 1.4794 1.4794 1.6361 1.6361 1.6868 1.6868 1.8275 1.8275 1.8624 1.8624 1.9600 1.9600 1.9849 1.9849 2.0778 2.0778 2.3430 2.3430 4.0192 4.0192 5.0148 5.0148 6.4983 6.4983 7.2864 7.2864 7.4668 7.4668 9.6425 9.6425 11.3576 11.3576 11.9641 11.9641 12.3895 12.3895 k = 0.1184 0.3753 0.7561 ( 3258 PWs) bands (ev): -31.9078 -31.9078 -13.2078 -13.2078 -12.8441 -12.8441 -12.8196 -12.8196 -0.2971 -0.2971 0.8424 0.8424 1.4479 1.4479 1.4714 1.4714 1.6402 1.6402 1.6922 1.6922 1.8263 1.8263 1.8613 1.8613 1.9648 1.9648 1.9899 1.9899 2.0810 2.0810 2.3718 2.3718 4.0364 4.0364 5.0223 5.0223 6.4121 6.4121 7.1646 7.1646 7.4048 7.4048 9.6558 9.6558 11.3926 11.3926 11.8697 11.8697 12.4129 12.4129 k = 0.1250 0.3635 0.7696 ( 3260 PWs) bands (ev): -31.9077 -31.9077 -13.2082 -13.2082 -12.8437 -12.8437 -12.8210 -12.8210 -0.2828 -0.2828 0.8578 0.8578 1.4421 1.4421 1.4635 1.4635 1.6444 1.6444 1.6982 1.6982 1.8253 1.8253 1.8603 1.8603 1.9697 1.9697 1.9949 1.9949 2.0838 2.0838 2.4023 2.4023 4.0539 4.0539 5.0257 5.0257 6.3283 6.3283 7.0511 7.0511 7.3423 7.3423 9.6654 9.6654 11.4276 11.4276 11.7835 11.7835 12.4305 12.4305 k = 0.1316 0.3517 0.7831 ( 3264 PWs) bands (ev): -31.9076 -31.9076 -13.2085 -13.2085 -12.8434 -12.8434 -12.8223 -12.8223 -0.2684 -0.2684 0.8730 0.8730 1.4363 1.4363 1.4557 1.4557 1.6487 1.6487 1.7046 1.7046 1.8245 1.8245 1.8594 1.8594 1.9746 1.9746 1.9997 1.9997 2.0863 2.0863 2.4346 2.4346 4.0718 4.0718 5.0239 5.0239 6.2472 6.2472 6.9468 6.9468 7.2798 7.2798 9.6705 9.6705 11.4622 11.4622 11.7069 11.7069 12.4433 12.4434 k = 0.1382 0.3399 0.7966 ( 3264 PWs) bands (ev): -31.9075 -31.9075 -13.2088 -13.2088 -12.8430 -12.8430 -12.8236 -12.8236 -0.2540 -0.2540 0.8877 0.8877 1.4306 1.4306 1.4482 1.4482 1.6532 1.6532 1.7113 1.7113 1.8237 1.8237 1.8586 1.8586 1.9796 1.9796 2.0045 2.0045 2.0884 2.0884 2.4689 2.4689 4.0897 4.0897 5.0160 5.0160 6.1692 6.1692 6.8528 6.8528 7.2176 7.2176 9.6703 9.6703 11.4961 11.4961 11.6409 11.6409 12.4529 12.4529 k = 0.1447 0.3281 0.8101 ( 3262 PWs) bands (ev): -31.9074 -31.9074 -13.2092 -13.2092 -12.8427 -12.8427 -12.8249 -12.8249 -0.2396 -0.2396 0.9019 0.9019 1.4249 1.4249 1.4409 1.4409 1.6578 1.6578 1.7185 1.7185 1.8231 1.8231 1.8578 1.8578 1.9846 1.9846 2.0092 2.0092 2.0901 2.0901 2.5051 2.5051 4.1075 4.1075 5.0009 5.0009 6.0947 6.0947 6.7701 6.7701 7.1560 7.1560 9.6641 9.6641 11.5289 11.5289 11.5865 11.5865 12.4601 12.4601 k = 0.1513 0.3164 0.8236 ( 3260 PWs) bands (ev): -31.9074 -31.9074 -13.2095 -13.2095 -12.8423 -12.8423 -12.8261 -12.8261 -0.2254 -0.2254 0.9155 0.9155 1.4194 1.4194 1.4339 1.4339 1.6626 1.6626 1.7258 1.7258 1.8224 1.8224 1.8570 1.8570 1.9897 1.9897 2.0137 2.0137 2.0915 2.0915 2.5433 2.5433 4.1252 4.1252 4.9779 4.9779 6.0241 6.0241 6.6992 6.6992 7.0953 7.0953 9.6515 9.6515 11.5436 11.5436 11.5610 11.5610 12.4660 12.4660 k = 0.1579 0.3046 0.8371 ( 3256 PWs) bands (ev): -31.9073 -31.9073 -13.2098 -13.2098 -12.8420 -12.8420 -12.8273 -12.8273 -0.2115 -0.2115 0.9284 0.9284 1.4140 1.4140 1.4272 1.4272 1.6676 1.6676 1.7334 1.7334 1.8218 1.8218 1.8562 1.8562 1.9948 1.9948 2.0180 2.0180 2.0926 2.0926 2.5835 2.5835 4.1425 4.1425 4.9468 4.9468 5.9576 5.9576 6.6404 6.6404 7.0359 7.0359 9.6325 9.6325 11.5139 11.5139 11.5905 11.5905 12.4712 12.4712 k = 0.1645 0.2928 0.8506 ( 3250 PWs) bands (ev): -31.9072 -31.9072 -13.2101 -13.2101 -12.8417 -12.8417 -12.8284 -12.8284 -0.1980 -0.1980 0.9405 0.9405 1.4089 1.4089 1.4208 1.4208 1.6727 1.6727 1.7411 1.7411 1.8212 1.8212 1.8553 1.8553 1.9998 1.9998 2.0221 2.0221 2.0932 2.0932 2.6255 2.6255 4.1592 4.1592 4.9074 4.9074 5.8954 5.8954 6.5938 6.5938 6.9781 6.9781 9.6074 9.6074 11.4962 11.4962 11.6184 11.6184 12.4765 12.4765 k = 0.1711 0.2810 0.8641 ( 3250 PWs) bands (ev): -31.9071 -31.9071 -13.2104 -13.2104 -12.8414 -12.8414 -12.8294 -12.8294 -0.1849 -0.1849 0.9517 0.9517 1.4039 1.4039 1.4148 1.4148 1.6780 1.6780 1.7487 1.7487 1.8206 1.8206 1.8544 1.8544 2.0047 2.0047 2.0260 2.0260 2.0935 2.0935 2.6693 2.6693 4.1752 4.1752 4.8603 4.8603 5.8379 5.8379 6.5586 6.5586 6.9223 6.9223 9.5768 9.5768 11.4901 11.4901 11.6442 11.6442 12.4823 12.4823 k = 0.1776 0.2692 0.8776 ( 3246 PWs) bands (ev): -31.9070 -31.9070 -13.2107 -13.2107 -12.8412 -12.8412 -12.8304 -12.8304 -0.1724 -0.1724 0.9621 0.9621 1.3991 1.3991 1.4092 1.4092 1.6833 1.6833 1.7563 1.7563 1.8199 1.8199 1.8533 1.8533 2.0097 2.0097 2.0296 2.0296 2.0935 2.0935 2.7146 2.7146 4.1903 4.1903 4.8066 4.8066 5.7852 5.7852 6.5339 6.5339 6.8689 6.8689 9.5418 9.5418 11.4947 11.4947 11.6675 11.6675 12.4889 12.4889 k = 0.1842 0.2574 0.8911 ( 3248 PWs) bands (ev): -31.9070 -31.9070 -13.2110 -13.2110 -12.8410 -12.8410 -12.8313 -12.8313 -0.1607 -0.1607 0.9716 0.9716 1.3947 1.3947 1.4040 1.4040 1.6887 1.6887 1.7638 1.7638 1.8191 1.8191 1.8521 1.8521 2.0145 2.0145 2.0330 2.0330 2.0931 2.0931 2.7612 2.7612 4.2043 4.2043 4.7475 4.7475 5.7375 5.7375 6.5183 6.5183 6.8183 6.8183 9.5036 9.5036 11.5087 11.5087 11.6884 11.6884 12.4963 12.4963 k = 0.1908 0.2456 0.9046 ( 3254 PWs) bands (ev): -31.9069 -31.9069 -13.2113 -13.2113 -12.8408 -12.8408 -12.8322 -12.8322 -0.1497 -0.1497 0.9801 0.9801 1.3905 1.3905 1.3992 1.3992 1.6940 1.6940 1.7711 1.7711 1.8182 1.8182 1.8507 1.8507 2.0191 2.0191 2.0361 2.0361 2.0924 2.0924 2.8086 2.8086 4.2171 4.2171 4.6847 4.6847 5.6948 5.6948 6.5102 6.5102 6.7707 6.7707 9.4636 9.4636 11.5308 11.5308 11.7068 11.7068 12.5046 12.5046 k = 0.1974 0.2338 0.9181 ( 3256 PWs) bands (ev): -31.9068 -31.9068 -13.2116 -13.2116 -12.8406 -12.8406 -12.8329 -12.8329 -0.1396 -0.1396 0.9877 0.9877 1.3867 1.3867 1.3948 1.3948 1.6992 1.6992 1.7782 1.7782 1.8173 1.8173 1.8491 1.8491 2.0236 2.0236 2.0389 2.0389 2.0914 2.0914 2.8564 2.8564 4.2286 4.2286 4.6199 4.6199 5.6572 5.6572 6.5081 6.5081 6.7267 6.7267 9.4232 9.4232 11.5591 11.5591 11.7226 11.7226 12.5135 12.5135 k = 0.2039 0.2220 0.9316 ( 3256 PWs) bands (ev): -31.9068 -31.9068 -13.2118 -13.2118 -12.8405 -12.8405 -12.8335 -12.8335 -0.1305 -0.1305 0.9945 0.9945 1.3833 1.3833 1.3910 1.3910 1.7041 1.7041 1.7849 1.7849 1.8164 1.8164 1.8474 1.8474 2.0280 2.0280 2.0414 2.0414 2.0901 2.0901 2.9038 2.9038 4.2388 4.2388 4.5550 4.5550 5.6246 5.6246 6.5103 6.5103 6.6866 6.6866 9.3838 9.3838 11.5921 11.5921 11.7360 11.7360 12.5229 12.5229 k = 0.2105 0.2102 0.9451 ( 3252 PWs) bands (ev): -31.9067 -31.9067 -13.2120 -13.2120 -12.8404 -12.8404 -12.8341 -12.8341 -0.1224 -0.1224 1.0003 1.0003 1.3802 1.3802 1.3876 1.3876 1.7088 1.7088 1.7912 1.7912 1.8156 1.8156 1.8454 1.8454 2.0321 2.0321 2.0436 2.0436 2.0887 2.0887 2.9498 2.9498 4.2475 4.2475 4.4919 4.4919 5.5969 5.5969 6.5155 6.5155 6.6507 6.6507 9.3467 9.3467 11.6278 11.6278 11.7471 11.7471 12.5323 12.5323 k = 0.2171 0.1985 0.9586 ( 3248 PWs) bands (ev): -31.9067 -31.9067 -13.2121 -13.2121 -12.8404 -12.8404 -12.8345 -12.8345 -0.1154 -0.1154 1.0052 1.0052 1.3777 1.3777 1.3847 1.3847 1.7131 1.7131 1.7969 1.7969 1.8149 1.8149 1.8432 1.8432 2.0360 2.0360 2.0454 2.0454 2.0872 2.0872 2.9932 2.9932 4.2548 4.2548 4.4327 4.4327 5.5740 5.5740 6.5222 6.5222 6.6196 6.6196 9.3131 9.3131 11.6642 11.6642 11.7562 11.7562 12.5412 12.5412 k = 0.2237 0.1867 0.9721 ( 3252 PWs) bands (ev): -31.9067 -31.9067 -13.2123 -13.2123 -12.8404 -12.8404 -12.8349 -12.8349 -0.1096 -0.1096 1.0092 1.0092 1.3755 1.3755 1.3823 1.3823 1.7168 1.7168 1.8018 1.8018 1.8148 1.8148 1.8407 1.8407 2.0394 2.0394 2.0469 2.0469 2.0856 2.0856 3.0326 3.0326 4.2606 4.2606 4.3796 4.3796 5.5557 5.5557 6.5293 6.5293 6.5936 6.5936 9.2841 9.2841 11.6988 11.6988 11.7633 11.7633 12.5493 12.5493 k = 0.2303 0.1749 0.9856 ( 3252 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8404 -12.8404 -12.8351 -12.8351 -0.1050 -0.1050 1.0122 1.0122 1.3737 1.3737 1.3805 1.3805 1.7199 1.7199 1.8053 1.8053 1.8156 1.8156 1.8380 1.8380 2.0424 2.0424 2.0481 2.0481 2.0841 2.0841 3.0662 3.0662 4.2651 4.2651 4.3348 4.3348 5.5417 5.5417 6.5359 6.5359 6.5730 6.5730 9.2605 9.2605 11.7294 11.7294 11.7686 11.7686 12.5561 12.5561 k = 0.2368 0.1631 0.9991 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8352 -12.8352 -0.1017 -0.1017 1.0145 1.0145 1.3726 1.3726 1.3792 1.3792 1.7222 1.7222 1.8070 1.8070 1.8180 1.8180 1.8352 1.8352 2.0448 2.0448 2.0489 2.0489 2.0829 2.0829 3.0921 3.0921 4.2680 4.2680 4.3008 4.3008 5.5319 5.5319 6.5412 6.5412 6.5581 6.5581 9.2432 9.2432 11.7533 11.7533 11.7726 11.7726 12.5613 12.5613 k = 0.2434 0.1513 1.0126 ( 3238 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0997 -0.0997 1.0158 1.0158 1.3718 1.3718 1.3784 1.3784 1.7236 1.7236 1.8075 1.8075 1.8207 1.8207 1.8326 1.8326 2.0464 2.0464 2.0493 2.0493 2.0820 2.0820 3.1086 3.1086 4.2691 4.2691 4.2801 4.2801 5.5261 5.5261 6.5443 6.5443 6.5493 6.5493 9.2325 9.2325 11.7679 11.7679 11.7758 11.7758 12.5645 12.5645 k = 0.2500 0.1395 1.0261 ( 3228 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0162 1.0162 1.3716 1.3716 1.3782 1.3782 1.7241 1.7241 1.8076 1.8076 1.8222 1.8222 1.8314 1.8314 2.0470 2.0470 2.0494 2.0494 2.0817 2.0817 3.1142 3.1142 4.2678 4.2678 4.2747 4.2747 5.5242 5.5242 6.5445 6.5445 6.5472 6.5472 9.2290 9.2290 11.7717 11.7717 11.7781 11.7781 12.5656 12.5656 k = 0.2500 0.1395 1.0261 ( 3228 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0162 1.0162 1.3716 1.3716 1.3782 1.3782 1.7241 1.7241 1.8076 1.8076 1.8222 1.8222 1.8314 1.8314 2.0470 2.0470 2.0494 2.0494 2.0817 2.0817 3.1142 3.1142 4.2678 4.2678 4.2747 4.2747 5.5242 5.5242 6.5445 6.5445 6.5472 6.5472 9.2290 9.2290 11.7717 11.7717 11.7781 11.7781 12.5656 12.5656 k = 0.2639 0.1473 1.0172 ( 3234 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0992 -0.0992 1.0161 1.0161 1.3717 1.3717 1.3782 1.3782 1.7240 1.7240 1.8076 1.8076 1.8218 1.8218 1.8315 1.8315 2.0468 2.0468 2.0494 2.0494 2.0817 2.0817 3.1134 3.1134 4.2571 4.2571 4.2874 4.2874 5.5234 5.5234 6.4900 6.4900 6.6030 6.6030 9.2335 9.2335 11.6641 11.6641 11.8853 11.8853 12.5431 12.5431 k = 0.2778 0.1550 1.0084 ( 3236 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0996 -0.0996 1.0159 1.0159 1.3719 1.3719 1.3784 1.3784 1.7238 1.7238 1.8075 1.8075 1.8210 1.8210 1.8319 1.8319 2.0464 2.0464 2.0495 2.0495 2.0815 2.0815 3.1106 3.1106 4.2447 4.2447 4.3067 4.3067 5.5206 5.5206 6.4358 6.4358 6.6615 6.6615 9.2469 9.2469 11.5551 11.5551 11.9933 11.9933 12.4822 12.4822 k = 0.2917 0.1628 0.9995 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.1001 -0.1001 1.0153 1.0153 1.3722 1.3722 1.3786 1.3786 1.7234 1.7234 1.8074 1.8074 1.8200 1.8200 1.8323 1.8323 2.0456 2.0456 2.0496 2.0496 2.0813 2.0813 3.1052 3.1052 4.2330 4.2330 4.3307 4.3307 5.5154 5.5154 6.3842 6.3842 6.7207 6.7207 9.2688 9.2688 11.4485 11.4485 12.0981 12.0981 12.3959 12.3959 k = 0.3056 0.1705 0.9906 ( 3234 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8403 -12.8403 -12.8352 -12.8352 -0.1007 -0.1007 1.0144 1.0144 1.3727 1.3727 1.3790 1.3790 1.7229 1.7229 1.8072 1.8072 1.8189 1.8189 1.8327 1.8327 2.0448 2.0448 2.0497 2.0497 2.0811 2.0811 3.0968 3.0968 4.2223 4.2223 4.3596 4.3596 5.5072 5.5072 6.3359 6.3359 6.7805 6.7805 9.2986 9.2986 11.3448 11.3448 12.1963 12.1963 12.2978 12.2978 k = 0.3194 0.1783 0.9817 ( 3235 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8403 -12.8403 -12.8352 -12.8352 -0.1013 -0.1013 1.0131 1.0131 1.3732 1.3732 1.3795 1.3795 1.7223 1.7223 1.8069 1.8069 1.8180 1.8180 1.8329 1.8329 2.0437 2.0437 2.0498 2.0498 2.0809 2.0809 3.0851 3.0851 4.2126 4.2126 4.3940 4.3940 5.4958 5.4958 6.2915 6.2915 6.8404 6.8404 9.3358 9.3358 11.2445 11.2445 12.1750 12.1750 12.3073 12.3073 k = 0.3333 0.1860 0.9729 ( 3239 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8403 -12.8403 -12.8351 -12.8351 -0.1020 -0.1020 1.0114 1.0114 1.3738 1.3738 1.3802 1.3802 1.7215 1.7215 1.8065 1.8065 1.8172 1.8172 1.8329 1.8329 2.0426 2.0426 2.0498 2.0498 2.0807 2.0807 3.0700 3.0700 4.2040 4.2040 4.4337 4.4337 5.4812 5.4812 6.2515 6.2515 6.9001 6.9001 9.3796 9.3796 11.1481 11.1481 12.0622 12.0622 12.3999 12.3999 k = 0.3472 0.1938 0.9640 ( 3243 PWs) bands (ev): -31.9066 -31.9066 -13.2124 -13.2124 -12.8403 -12.8403 -12.8350 -12.8350 -0.1026 -0.1026 1.0092 1.0092 1.3744 1.3744 1.3813 1.3813 1.7205 1.7205 1.8059 1.8059 1.8167 1.8167 1.8328 1.8328 2.0413 2.0413 2.0499 2.0499 2.0806 2.0806 3.0513 3.0513 4.1965 4.1965 4.4789 4.4789 5.4634 5.4634 6.2161 6.2161 6.9592 6.9592 9.4293 9.4293 11.0562 11.0562 11.9455 11.9455 12.4908 12.4908 k = 0.3611 0.2015 0.9551 ( 3243 PWs) bands (ev): -31.9067 -31.9067 -13.2123 -13.2123 -12.8403 -12.8403 -12.8349 -12.8349 -0.1031 -0.1031 1.0065 1.0065 1.3749 1.3749 1.3826 1.3826 1.7194 1.7194 1.8051 1.8051 1.8164 1.8164 1.8326 1.8326 2.0399 2.0399 2.0499 2.0499 2.0806 2.0806 3.0292 3.0292 4.1902 4.1902 4.5292 4.5292 5.4427 5.4427 6.1856 6.1856 7.0171 7.0171 9.4840 9.4840 10.9695 10.9695 11.8288 11.8288 12.5779 12.5779 k = 0.3750 0.2093 0.9462 ( 3249 PWs) bands (ev): -31.9067 -31.9067 -13.2123 -13.2123 -12.8403 -12.8403 -12.8348 -12.8348 -0.1035 -0.1035 1.0032 1.0032 1.3753 1.3753 1.3842 1.3842 1.7181 1.7181 1.8043 1.8043 1.8163 1.8163 1.8324 1.8324 2.0385 2.0385 2.0500 2.0500 2.0807 2.0807 3.0040 3.0040 4.1850 4.1850 4.5844 4.5844 5.4196 5.4196 6.1599 6.1599 7.0734 7.0734 9.5428 9.5428 10.8884 10.8884 11.7141 11.7141 12.6604 12.6604 k = 0.3889 0.2170 0.9374 ( 3249 PWs) bands (ev): -31.9067 -31.9067 -13.2122 -13.2122 -12.8403 -12.8403 -12.8347 -12.8347 -0.1038 -0.1038 0.9994 0.9994 1.3757 1.3757 1.3861 1.3861 1.7167 1.7167 1.8035 1.8035 1.8164 1.8164 1.8321 1.8321 2.0370 2.0370 2.0500 2.0500 2.0810 2.0810 2.9758 2.9758 4.1809 4.1809 4.6440 4.6440 5.3947 5.3947 6.1389 6.1389 7.1276 7.1276 9.6046 9.6046 10.8136 10.8136 11.6031 11.6031 12.7380 12.7380 k = 0.4028 0.2248 0.9285 ( 3257 PWs) bands (ev): -31.9067 -31.9067 -13.2122 -13.2122 -12.8403 -12.8403 -12.8346 -12.8346 -0.1040 -0.1040 0.9949 0.9949 1.3761 1.3761 1.3883 1.3883 1.7151 1.7151 1.8028 1.8028 1.8165 1.8165 1.8318 1.8318 2.0354 2.0354 2.0501 2.0501 2.0814 2.0814 2.9451 2.9451 4.1781 4.1781 4.7073 4.7073 5.3688 5.3688 6.1223 6.1223 7.1790 7.1790 9.6678 9.6678 10.7458 10.7458 11.4972 11.4972 12.8104 12.8104 k = 0.4167 0.2325 0.9196 ( 3258 PWs) bands (ev): -31.9067 -31.9067 -13.2121 -13.2121 -12.8403 -12.8403 -12.8344 -12.8344 -0.1041 -0.1041 0.9899 0.9899 1.3765 1.3765 1.3908 1.3908 1.7133 1.7133 1.8020 1.8020 1.8166 1.8166 1.8315 1.8315 2.0337 2.0337 2.0502 2.0502 2.0821 2.0821 2.9122 2.9122 4.1765 4.1765 4.7738 4.7738 5.3425 5.3425 6.1098 6.1098 7.2271 7.2271 9.7310 9.7310 10.6856 10.6856 11.3983 11.3983 12.8773 12.8773 k = 0.4306 0.2403 0.9107 ( 3255 PWs) bands (ev): -31.9068 -31.9068 -13.2120 -13.2120 -12.8403 -12.8403 -12.8342 -12.8342 -0.1041 -0.1041 0.9842 0.9842 1.3768 1.3768 1.3935 1.3935 1.7115 1.7115 1.8014 1.8014 1.8169 1.8169 1.8313 1.8313 2.0321 2.0321 2.0502 2.0502 2.0829 2.0829 2.8774 2.8774 4.1760 4.1760 4.8426 4.8426 5.3166 5.3166 6.1015 6.1015 7.2711 7.2711 9.7920 9.7920 10.6337 10.6337 11.3085 11.3085 12.9378 12.9378 k = 0.4444 0.2480 0.9019 ( 3259 PWs) bands (ev): -31.9068 -31.9068 -13.2119 -13.2119 -12.8403 -12.8403 -12.8341 -12.8341 -0.1041 -0.1041 0.9780 0.9780 1.3772 1.3772 1.3965 1.3965 1.7095 1.7095 1.8007 1.8007 1.8171 1.8171 1.8312 1.8312 2.0304 2.0304 2.0503 2.0503 2.0840 2.0840 2.8413 2.8413 4.1769 4.1769 4.9130 4.9130 5.2917 5.2917 6.0972 6.0972 7.3106 7.3106 9.8484 9.8484 10.5907 10.5907 11.2302 11.2302 12.9911 12.9911 k = 0.4583 0.2558 0.8930 ( 3257 PWs) bands (ev): -31.9068 -31.9068 -13.2118 -13.2118 -12.8403 -12.8403 -12.8339 -12.8339 -0.1041 -0.1041 0.9712 0.9712 1.3775 1.3775 1.3996 1.3996 1.7074 1.7074 1.8000 1.8000 1.8174 1.8174 1.8313 1.8313 2.0287 2.0287 2.0502 2.0502 2.0853 2.0853 2.8042 2.8042 4.1789 4.1789 4.9840 4.9840 5.2684 5.2684 6.0972 6.0972 7.3449 7.3449 9.8969 9.8969 10.5573 10.5573 11.1665 11.1665 13.0353 13.0353 k = 0.4722 0.2635 0.8841 ( 3259 PWs) bands (ev): -31.9068 -31.9068 -13.2117 -13.2117 -12.8403 -12.8403 -12.8336 -12.8336 -0.1042 -0.1042 0.9639 0.9639 1.3778 1.3778 1.4030 1.4030 1.7052 1.7052 1.7992 1.7992 1.8177 1.8177 1.8316 1.8316 2.0269 2.0269 2.0501 2.0501 2.0867 2.0867 2.7665 2.7665 4.1823 4.1823 5.0543 5.0543 5.2470 5.2470 6.1017 6.1017 7.3735 7.3735 9.9344 9.9344 10.5339 10.5339 11.1204 11.1204 13.0676 13.0676 k = 0.4861 0.2713 0.8752 ( 3258 PWs) bands (ev): -31.9068 -31.9068 -13.2116 -13.2116 -12.8402 -12.8402 -12.8334 -12.8334 -0.1045 -0.1045 0.9561 0.9561 1.3781 1.3781 1.4065 1.4065 1.7029 1.7029 1.7981 1.7981 1.8182 1.8182 1.8321 1.8321 2.0252 2.0252 2.0500 2.0500 2.0884 2.0884 2.7288 2.7288 4.1869 4.1869 5.1227 5.1227 5.2280 5.2280 6.1115 6.1115 7.3959 7.3959 9.9578 9.9578 10.5211 10.5211 11.0950 11.0950 13.0849 13.0849 k = 0.5000 0.2790 0.8664 ( 3254 PWs) bands (ev): -31.9069 -31.9069 -13.2115 -13.2115 -12.8402 -12.8402 -12.8332 -12.8332 -0.1051 -0.1051 0.9480 0.9480 1.3783 1.3783 1.4102 1.4102 1.7006 1.7006 1.7966 1.7966 1.8188 1.8188 1.8327 1.8327 2.0234 2.0234 2.0497 2.0497 2.0902 2.0902 2.6914 2.6914 4.1927 4.1927 5.1873 5.1873 5.2120 5.2120 6.1273 6.1273 7.4118 7.4118 9.9652 9.9652 10.5191 10.5191 11.0919 11.0919 13.0849 13.0849 k = 0.5000 0.2790 0.8664 ( 3254 PWs) bands (ev): -31.9069 -31.9069 -13.2115 -13.2115 -12.8402 -12.8402 -12.8332 -12.8332 -0.1051 -0.1051 0.9480 0.9480 1.3783 1.3783 1.4102 1.4102 1.7006 1.7006 1.7966 1.7966 1.8188 1.8188 1.8327 1.8327 2.0234 2.0234 2.0497 2.0497 2.0902 2.0902 2.6914 2.6914 4.1927 4.1927 5.1873 5.1873 5.2120 5.2120 6.1273 6.1273 7.4118 7.4118 9.9652 9.9652 10.5191 10.5191 11.0919 11.0919 13.0849 13.0849 k = 0.5000 0.2790 0.8471 ( 3258 PWs) bands (ev): -31.9069 -31.9069 -13.2112 -13.2112 -12.8402 -12.8402 -12.8326 -12.8326 -0.1070 -0.1070 0.9288 0.9288 1.3788 1.3788 1.4187 1.4187 1.6956 1.6956 1.7929 1.7929 1.8204 1.8204 1.8342 1.8342 2.0195 2.0195 2.0488 2.0488 2.0941 2.0941 2.6120 2.6120 4.2078 4.2078 5.1825 5.1825 5.3230 5.3230 6.1699 6.1699 7.4407 7.4407 9.9643 9.9643 10.5271 10.5271 11.1073 11.1073 13.0686 13.0686 k = 0.5000 0.2790 0.8278 ( 3258 PWs) bands (ev): -31.9070 -31.9070 -13.2109 -13.2109 -12.8401 -12.8401 -12.8320 -12.8320 -0.1092 -0.1092 0.9068 0.9068 1.3794 1.3794 1.4277 1.4277 1.6906 1.6906 1.7886 1.7886 1.8220 1.8220 1.8357 1.8357 2.0155 2.0155 2.0480 2.0480 2.0978 2.0978 2.5349 2.5349 4.2248 4.2248 5.1540 5.1540 5.4630 5.4630 6.2149 6.2149 7.4729 7.4729 9.9640 9.9640 10.5361 10.5361 11.1180 11.1180 13.0601 13.0601 k = 0.5000 0.2790 0.8086 ( 3256 PWs) bands (ev): -31.9071 -31.9071 -13.2105 -13.2105 -12.8400 -12.8400 -12.8313 -12.8313 -0.1119 -0.1119 0.8819 0.8819 1.3801 1.3801 1.4370 1.4370 1.6858 1.6858 1.7839 1.7839 1.8235 1.8235 1.8371 1.8371 2.0115 2.0115 2.0471 2.0471 2.1012 2.1012 2.4612 2.4612 4.2436 4.2436 5.1270 5.1270 5.6068 5.6068 6.2619 6.2619 7.5082 7.5082 9.9647 9.9647 10.5463 10.5463 11.1224 11.1224 13.0607 13.0607 k = 0.5000 0.2790 0.7893 ( 3260 PWs) bands (ev): -31.9072 -31.9072 -13.2102 -13.2102 -12.8399 -12.8399 -12.8306 -12.8306 -0.1151 -0.1151 0.8539 0.8539 1.3807 1.3807 1.4465 1.4465 1.6813 1.6813 1.7785 1.7785 1.8250 1.8250 1.8385 1.8385 2.0074 2.0074 2.0461 2.0461 2.1042 2.1042 2.3914 2.3914 4.2644 4.2644 5.1019 5.1019 5.7536 5.7536 6.3108 6.3108 7.5466 7.5466 9.9666 9.9666 10.5577 10.5577 11.1194 11.1194 13.0710 13.0710 k = 0.5000 0.2790 0.7701 ( 3262 PWs) bands (ev): -31.9073 -31.9073 -13.2098 -13.2098 -12.8399 -12.8399 -12.8298 -12.8298 -0.1189 -0.1189 0.8230 0.8230 1.3815 1.3815 1.4559 1.4559 1.6773 1.6773 1.7726 1.7726 1.8263 1.8263 1.8400 1.8400 2.0035 2.0035 2.0451 2.0451 2.1067 2.1067 2.3262 2.3262 4.2872 4.2872 5.0794 5.0794 5.9030 5.9030 6.3615 6.3615 7.5880 7.5880 9.9700 9.9700 10.5704 10.5704 11.1087 11.1087 13.0900 13.0900 k = 0.5000 0.2790 0.7508 ( 3266 PWs) bands (ev): -31.9073 -31.9073 -13.2094 -13.2094 -12.8398 -12.8398 -12.8289 -12.8289 -0.1232 -0.1232 0.7889 0.7889 1.3823 1.3823 1.4650 1.4650 1.6737 1.6737 1.7659 1.7659 1.8273 1.8273 1.8415 1.8415 1.9997 1.9997 2.0441 2.0441 2.1085 2.1085 2.2661 2.2661 4.3120 4.3120 5.0598 5.0598 6.0544 6.0544 6.4140 6.4140 7.6324 7.6324 9.9752 9.9752 10.5843 10.5843 11.0901 11.0901 13.1156 13.1156 k = 0.5000 0.2790 0.7316 ( 3274 PWs) bands (ev): -31.9075 -31.9075 -13.2090 -13.2090 -12.8397 -12.8397 -12.8281 -12.8281 -0.1282 -0.1282 0.7518 0.7518 1.3832 1.3832 1.4735 1.4735 1.6708 1.6708 1.7584 1.7584 1.8281 1.8281 1.8431 1.8431 1.9961 1.9961 2.0431 2.0431 2.1097 2.1097 2.2113 2.2113 4.3389 4.3389 5.0436 5.0436 6.2075 6.2075 6.4680 6.4680 7.6798 7.6798 9.9823 9.9823 10.5996 10.5996 11.0641 11.0641 13.1439 13.1439 k = 0.5000 0.2790 0.7123 ( 3274 PWs) bands (ev): -31.9076 -31.9076 -13.2085 -13.2085 -12.8396 -12.8396 -12.8271 -12.8271 -0.1338 -0.1338 0.7116 0.7116 1.3842 1.3842 1.4811 1.4811 1.6684 1.6684 1.7501 1.7501 1.8286 1.8286 1.8451 1.8451 1.9927 1.9927 2.0422 2.0422 2.1102 2.1102 2.1623 2.1623 4.3680 4.3680 5.0312 5.0312 6.3619 6.3619 6.5236 6.5236 7.7302 7.7302 9.9918 9.9918 10.6164 10.6164 11.0316 11.0316 13.1701 13.1701 k = 0.5000 0.2790 0.6931 ( 3282 PWs) bands (ev): -31.9077 -31.9077 -13.2081 -13.2081 -12.8395 -12.8395 -12.8262 -12.8262 -0.1402 -0.1402 0.6687 0.6687 1.3852 1.3852 1.4876 1.4876 1.6665 1.6665 1.7411 1.7411 1.8285 1.8285 1.8475 1.8475 1.9895 1.9895 2.0413 2.0413 2.1097 2.1097 2.1193 2.1193 4.3993 4.3993 5.0229 5.0229 6.5169 6.5169 6.5807 6.5807 7.7834 7.7834 10.0039 10.0039 10.6346 10.6346 10.9936 10.9936 13.1895 13.1895 k = 0.5000 0.2790 0.6738 ( 3280 PWs) bands (ev): -31.9078 -31.9078 -13.2076 -13.2076 -12.8393 -12.8393 -12.8251 -12.8251 -0.1473 -0.1473 0.6233 0.6233 1.3863 1.3863 1.4928 1.4928 1.6648 1.6648 1.7316 1.7316 1.8278 1.8278 1.8505 1.8505 1.9865 1.9865 2.0404 2.0404 2.0820 2.0820 2.1089 2.1089 4.4328 4.4328 5.0189 5.0189 6.6374 6.6374 6.6741 6.6741 7.8394 7.8394 10.0190 10.0190 10.6543 10.6543 10.9515 10.9515 13.1595 13.1848 k = 0.5000 0.2790 0.6546 ( 3278 PWs) bands (ev): -31.9079 -31.9079 -13.2071 -13.2071 -12.8392 -12.8392 -12.8240 -12.8240 -0.1551 -0.1551 0.5755 0.5755 1.3874 1.3874 1.4967 1.4967 1.6629 1.6629 1.7217 1.7217 1.8264 1.8264 1.8543 1.8543 1.9834 1.9834 2.0395 2.0395 2.0513 2.0513 2.1069 2.1069 4.4687 4.4687 5.0197 5.0197 6.6972 6.6972 6.8295 6.8295 7.8981 7.8981 10.0373 10.0373 10.6757 10.6757 10.9064 10.9064 13.0498 13.0498 k = 0.5000 0.2790 0.6353 ( 3270 PWs) bands (ev): -31.9080 -31.9080 -13.2065 -13.2065 -12.8390 -12.8390 -12.8229 -12.8229 -0.1638 -0.1638 0.5258 0.5258 1.3886 1.3886 1.4992 1.4992 1.6601 1.6601 1.7122 1.7122 1.8240 1.8240 1.8591 1.8591 1.9799 1.9799 2.0269 2.0269 2.0389 2.0389 2.1043 2.1043 4.5069 4.5069 5.0253 5.0253 6.7572 6.7572 6.9850 6.9850 7.9596 7.9596 10.0592 10.0592 10.6987 10.6987 10.8595 10.8595 12.9301 12.9301 k = 0.5000 0.2790 0.6161 ( 3268 PWs) bands (ev): -31.9081 -31.9081 -13.2059 -13.2059 -12.8389 -12.8389 -12.8217 -12.8217 -0.1732 -0.1732 0.4744 0.4744 1.3899 1.3899 1.5003 1.5003 1.6555 1.6555 1.7036 1.7036 1.8204 1.8204 1.8650 1.8650 1.9752 1.9752 2.0095 2.0095 2.0383 2.0383 2.1011 2.1011 4.5477 4.5477 5.0358 5.0358 6.8179 6.8179 7.1399 7.1399 8.0237 8.0237 10.0851 10.0851 10.7234 10.7234 10.8119 10.8119 12.8012 12.8012 k = 0.5000 0.2790 0.5968 ( 3262 PWs) bands (ev): -31.9082 -31.9082 -13.2054 -13.2054 -12.8387 -12.8387 -12.8205 -12.8205 -0.1835 -0.1835 0.4218 0.4218 1.3911 1.3911 1.5002 1.5002 1.6485 1.6485 1.6968 1.6968 1.8158 1.8158 1.8721 1.8721 1.9686 1.9686 1.9991 1.9991 2.0378 2.0378 2.0973 2.0973 4.5909 4.5909 5.0515 5.0515 6.8789 6.8789 7.2936 7.2936 8.0905 8.0905 10.1154 10.1154 10.7496 10.7496 10.7651 10.7651 12.6641 12.6641 k = 0.5000 0.2790 0.5776 ( 3266 PWs) bands (ev): -31.9084 -31.9084 -13.2048 -13.2048 -12.8385 -12.8385 -12.8193 -12.8193 -0.1945 -0.1945 0.3682 0.3682 1.3923 1.3923 1.4990 1.4990 1.6390 1.6390 1.6916 1.6916 1.8101 1.8101 1.8804 1.8804 1.9611 1.9611 1.9940 1.9940 2.0374 2.0374 2.0932 2.0932 4.6367 4.6367 5.0724 5.0724 6.9401 6.9401 7.4456 7.4456 8.1597 8.1597 10.1504 10.1504 10.7185 10.7185 10.7785 10.7785 12.5199 12.5199 k = 0.5000 0.2790 0.5583 ( 3266 PWs) bands (ev): -31.9085 -31.9085 -13.2042 -13.2042 -12.8383 -12.8383 -12.8181 -12.8181 -0.2064 -0.2064 0.3141 0.3141 1.3936 1.3936 1.4969 1.4969 1.6278 1.6278 1.6875 1.6875 1.8035 1.8035 1.8895 1.8895 1.9545 1.9545 1.9919 1.9919 2.0373 2.0373 2.0890 2.0890 4.6851 4.6851 5.0984 5.0984 7.0011 7.0011 7.5954 7.5954 8.2314 8.2314 10.1905 10.1905 10.6745 10.6745 10.8087 10.8087 12.3697 12.3697 k = 0.5000 0.2790 0.5391 ( 3270 PWs) bands (ev): -31.9086 -31.9086 -13.2037 -13.2037 -12.8381 -12.8381 -12.8168 -12.8168 -0.2189 -0.2189 0.2598 0.2598 1.3948 1.3948 1.4938 1.4938 1.6157 1.6157 1.6839 1.6839 1.7962 1.7962 1.8993 1.8993 1.9495 1.9495 1.9911 1.9911 2.0375 2.0375 2.0848 2.0848 4.7362 4.7362 5.1295 5.1295 7.0617 7.0617 7.7424 7.7424 8.3054 8.3054 10.2363 10.2363 10.6333 10.6333 10.8407 10.8407 12.2145 12.2145 k = 0.5000 0.2790 0.5198 ( 3274 PWs) bands (ev): -31.9088 -31.9088 -13.2031 -13.2031 -12.8380 -12.8380 -12.8156 -12.8156 -0.2322 -0.2322 0.2056 0.2056 1.3960 1.3960 1.4901 1.4901 1.6032 1.6032 1.6802 1.6802 1.7885 1.7885 1.9091 1.9091 1.9462 1.9462 1.9911 1.9911 2.0381 2.0381 2.0811 2.0811 4.7900 4.7900 5.1657 5.1657 7.1215 7.1215 7.8860 7.8860 8.3818 8.3818 10.2879 10.2879 10.5956 10.5956 10.8746 10.8746 12.0553 12.0553 k = 0.5000 0.2790 0.5006 ( 3278 PWs) bands (ev): -31.9089 -31.9089 -13.2025 -13.2025 -12.8378 -12.8378 -12.8143 -12.8143 -0.2461 -0.2461 0.1518 0.1518 1.3971 1.3971 1.4858 1.4858 1.5908 1.5908 1.6763 1.6763 1.7804 1.7804 1.9184 1.9184 1.9447 1.9447 1.9914 1.9914 2.0394 2.0394 2.0780 2.0780 4.8466 4.8466 5.2068 5.2068 7.1802 7.1802 8.0258 8.0258 8.4604 8.4604 10.3458 10.3458 10.5620 10.5620 10.9102 10.9102 11.8931 11.8931 k = 0.5000 0.2790 0.4813 ( 3278 PWs) bands (ev): -31.9090 -31.9090 -13.2019 -13.2019 -12.8376 -12.8376 -12.8130 -12.8130 -0.2606 -0.2606 0.0986 0.0986 1.3981 1.3981 1.4811 1.4811 1.5786 1.5786 1.6721 1.6721 1.7723 1.7723 1.9260 1.9260 1.9451 1.9451 1.9917 1.9917 2.0417 2.0417 2.0759 2.0759 4.9059 4.9059 5.2527 5.2527 7.2373 7.2373 8.1611 8.1611 8.5412 8.5412 10.4101 10.4101 10.5331 10.5331 10.9474 10.9474 11.7290 11.7290 k = 0.5000 0.2790 0.4621 ( 3274 PWs) bands (ev): -31.9092 -31.9092 -13.2013 -13.2013 -12.8373 -12.8373 -12.8117 -12.8117 -0.2756 -0.2756 0.0464 0.0464 1.3991 1.3991 1.4759 1.4759 1.5669 1.5669 1.6676 1.6676 1.7642 1.7642 1.9307 1.9307 1.9482 1.9482 1.9915 1.9915 2.0452 2.0452 2.0751 2.0751 4.9681 4.9681 5.3032 5.3032 7.2925 7.2925 8.2915 8.2915 8.6240 8.6240 10.4798 10.4798 10.5105 10.5105 10.9855 10.9855 11.5643 11.5643 k = 0.5000 0.2790 0.4428 ( 3278 PWs) bands (ev): -31.9093 -31.9093 -13.2007 -13.2007 -12.8371 -12.8371 -12.8104 -12.8104 -0.2910 -0.2910 -0.0048 -0.0048 1.4000 1.4000 1.4703 1.4703 1.5557 1.5557 1.6629 1.6629 1.7562 1.7562 1.9328 1.9328 1.9530 1.9530 1.9908 1.9908 2.0498 2.0498 2.0760 2.0760 5.0330 5.0330 5.3580 5.3580 7.3454 7.3454 8.4167 8.4167 8.7087 8.7087 10.4891 10.4891 10.5602 10.5602 11.0222 11.0222 11.4020 11.4020 k = 0.5000 0.2790 0.4236 ( 3290 PWs) bands (ev): -31.9094 -31.9094 -13.2002 -13.2002 -12.8369 -12.8369 -12.8091 -12.8091 -0.3069 -0.3069 -0.0547 -0.0547 1.4006 1.4006 1.4645 1.4645 1.5449 1.5449 1.6579 1.6579 1.7483 1.7483 1.9337 1.9337 1.9581 1.9581 1.9893 1.9893 2.0547 2.0547 2.0793 2.0793 5.1008 5.1008 5.4170 5.4170 7.3956 7.3956 8.5364 8.5364 8.7954 8.7954 10.4765 10.4765 10.6435 10.6435 11.0463 11.0463 11.2537 11.2537 k = 0.5000 0.2790 0.4043 ( 3290 PWs) bands (ev): -31.9095 -31.9095 -13.1996 -13.1996 -12.8367 -12.8367 -12.8079 -12.8079 -0.3230 -0.3230 -0.1032 -0.1032 1.4012 1.4012 1.4585 1.4585 1.5346 1.5346 1.6528 1.6528 1.7407 1.7407 1.9342 1.9342 1.9624 1.9624 1.9875 1.9875 2.0589 2.0589 2.0858 2.0858 5.1714 5.1714 5.4799 5.4799 7.4428 7.4428 8.6505 8.6505 8.8837 8.8837 10.4693 10.4693 10.7326 10.7326 10.9952 10.9952 11.1828 11.1828 k = 0.5000 0.2790 0.3850 ( 3284 PWs) bands (ev): -31.9097 -31.9097 -13.1990 -13.1990 -12.8365 -12.8365 -12.8066 -12.8066 -0.3392 -0.3392 -0.1501 -0.1501 1.4015 1.4015 1.4524 1.4524 1.5249 1.5249 1.6478 1.6478 1.7334 1.7334 1.9345 1.9345 1.9658 1.9658 1.9857 1.9857 2.0624 2.0624 2.0951 2.0951 5.2449 5.2449 5.5464 5.5464 7.4868 7.4868 8.7590 8.7590 8.9737 8.9737 10.4675 10.4675 10.8259 10.8259 10.8533 10.8533 11.2054 11.2054 k = 0.5000 0.2790 0.3658 ( 3284 PWs) bands (ev): -31.9098 -31.9098 -13.1985 -13.1985 -12.8362 -12.8362 -12.8053 -12.8053 -0.3556 -0.3556 -0.1952 -0.1952 1.4016 1.4016 1.4462 1.4462 1.5157 1.5157 1.6427 1.6427 1.7263 1.7263 1.9348 1.9348 1.9678 1.9678 1.9844 1.9844 2.0652 2.0652 2.1063 2.1063 5.3210 5.3210 5.6162 5.6162 7.5271 7.5271 8.8622 8.8622 9.0651 9.0651 10.4708 10.4708 10.6918 10.6918 10.9219 10.9219 11.2504 11.2504 k = 0.5000 0.2790 0.3465 ( 3286 PWs) bands (ev): -31.9099 -31.9099 -13.1980 -13.1980 -12.8360 -12.8360 -12.8041 -12.8041 -0.3719 -0.3719 -0.2386 -0.2386 1.4015 1.4015 1.4400 1.4400 1.5070 1.5070 1.6377 1.6377 1.7197 1.7197 1.9349 1.9349 1.9683 1.9683 1.9840 1.9840 2.0678 2.0678 2.1186 2.1186 5.3999 5.3999 5.6890 5.6890 7.5638 7.5638 8.9603 8.9603 9.1578 9.1578 10.4774 10.4774 10.5278 10.5278 11.0172 11.0172 11.3022 11.3022 k = 0.5000 0.2790 0.3273 ( 3274 PWs) bands (ev): -31.9100 -31.9100 -13.1974 -13.1974 -12.8358 -12.8358 -12.8029 -12.8029 -0.3881 -0.3881 -0.2799 -0.2799 1.4010 1.4010 1.4338 1.4338 1.4988 1.4988 1.6329 1.6329 1.7134 1.7134 1.9352 1.9352 1.9675 1.9675 1.9848 1.9848 2.0705 2.0705 2.1313 2.1313 5.4814 5.4814 5.7644 5.7644 7.5966 7.5966 9.0538 9.0538 9.2515 9.2515 10.3605 10.3605 10.4899 10.4899 11.1080 11.1080 11.3580 11.3580 k = 0.5000 0.2790 0.3080 ( 3278 PWs) bands (ev): -31.9101 -31.9101 -13.1969 -13.1969 -12.8355 -12.8355 -12.8018 -12.8018 -0.4041 -0.4041 -0.3193 -0.3193 1.4003 1.4003 1.4277 1.4277 1.4912 1.4912 1.6283 1.6283 1.7074 1.7074 1.9353 1.9353 1.9659 1.9659 1.9861 1.9861 2.0731 2.0731 2.1442 2.1442 5.5655 5.5655 5.8421 5.8421 7.6256 7.6256 9.1432 9.1432 9.3461 9.3461 10.1962 10.1962 10.5012 10.5012 11.1885 11.1885 11.4170 11.4170 k = 0.5000 0.2790 0.2888 ( 3270 PWs) bands (ev): -31.9102 -31.9102 -13.1964 -13.1964 -12.8353 -12.8353 -12.8006 -12.8006 -0.4197 -0.4197 -0.3566 -0.3566 1.3992 1.3992 1.4217 1.4217 1.4843 1.4843 1.6239 1.6239 1.7018 1.7018 1.9355 1.9355 1.9640 1.9640 1.9878 1.9878 2.0757 2.0757 2.1569 2.1569 5.6519 5.6519 5.9216 5.9216 7.6508 7.6508 9.2291 9.2291 9.4413 9.4413 10.0332 10.0332 10.5108 10.5108 11.2516 11.2516 11.4789 11.4789 k = 0.5000 0.2790 0.2695 ( 3266 PWs) bands (ev): -31.9103 -31.9103 -13.1959 -13.1959 -12.8351 -12.8351 -12.7995 -12.7995 -0.4349 -0.4349 -0.3917 -0.3917 1.3978 1.3978 1.4159 1.4159 1.4779 1.4779 1.6198 1.6198 1.6966 1.6966 1.9357 1.9357 1.9620 1.9620 1.9895 1.9895 2.0784 2.0784 2.1692 2.1692 5.7406 5.7406 6.0023 6.0023 7.6725 7.6725 9.3120 9.3120 9.5368 9.5368 9.8722 9.8722 10.5149 10.5149 11.2899 11.2899 11.5433 11.5433 k = 0.5000 0.2790 0.2503 ( 3266 PWs) bands (ev): -31.9104 -31.9104 -13.1955 -13.1955 -12.8349 -12.8349 -12.7985 -12.7985 -0.4497 -0.4497 -0.4246 -0.4246 1.3961 1.3961 1.4101 1.4101 1.4722 1.4722 1.6160 1.6160 1.6917 1.6917 1.9360 1.9360 1.9601 1.9601 1.9912 1.9912 2.0811 2.0811 2.1811 2.1811 5.8313 5.8313 6.0839 6.0839 7.6907 7.6907 9.3924 9.3924 9.6320 9.6320 9.7136 9.7136 10.5091 10.5091 11.2994 11.2994 11.6094 11.6094 k = 0.5000 0.2790 0.2310 ( 3266 PWs) bands (ev): -31.9105 -31.9105 -13.1951 -13.1951 -12.8347 -12.8347 -12.7975 -12.7975 -0.4642 -0.4642 -0.4547 -0.4547 1.3940 1.3940 1.4047 1.4047 1.4672 1.4672 1.6125 1.6125 1.6873 1.6873 1.9361 1.9361 1.9583 1.9583 1.9929 1.9929 2.0836 2.0836 2.1924 2.1924 5.9238 5.9238 6.1656 6.1656 7.7059 7.7059 9.4707 9.4707 9.5576 9.5576 9.7270 9.7270 10.4895 10.4895 11.2814 11.2814 11.6539 11.6539 k = 0.5000 0.2790 0.2118 ( 3266 PWs) bands (ev): -31.9106 -31.9106 -13.1947 -13.1947 -12.8345 -12.8345 -12.7967 -12.7967 -0.4848 -0.4848 -0.4757 -0.4757 1.3917 1.3917 1.3995 1.3995 1.4629 1.4629 1.6094 1.6094 1.6831 1.6831 1.9364 1.9364 1.9567 1.9567 1.9944 1.9944 2.0862 2.0862 2.2030 2.2030 6.0177 6.0177 6.2469 6.2469 7.7182 7.7182 9.4046 9.4046 9.5481 9.5481 9.8207 9.8207 10.4538 10.4538 11.2415 11.2415 11.6385 11.6385 k = 0.5000 0.2790 0.1925 ( 3270 PWs) bands (ev): -31.9106 -31.9106 -13.1944 -13.1944 -12.8343 -12.8343 -12.7958 -12.7958 -0.5103 -0.5103 -0.4887 -0.4887 1.3891 1.3891 1.3946 1.3946 1.4591 1.4591 1.6066 1.6066 1.6793 1.6793 1.9367 1.9367 1.9552 1.9552 1.9958 1.9958 2.0886 2.0886 2.2128 2.2128 6.1126 6.1126 6.3269 6.3269 7.7281 7.7281 9.2560 9.2560 9.6239 9.6239 9.9127 9.9127 10.4028 10.4028 11.1860 11.1860 11.6465 11.6465 k = 0.5000 0.2790 0.1733 ( 3274 PWs) bands (ev): -31.9107 -31.9107 -13.1941 -13.1941 -12.8342 -12.8342 -12.7951 -12.7951 -0.5338 -0.5338 -0.5003 -0.5003 1.3861 1.3861 1.3903 1.3903 1.4559 1.4559 1.6041 1.6041 1.6759 1.6759 1.9369 1.9369 1.9540 1.9540 1.9971 1.9971 2.0908 2.0908 2.2218 2.2218 6.2079 6.2079 6.4048 6.4048 7.7358 7.7358 9.1117 9.1117 9.6991 9.6991 10.0021 10.0021 10.3398 10.3398 11.1202 11.1202 11.6799 11.6799 k = 0.5000 0.2790 0.1540 ( 3282 PWs) bands (ev): -31.9108 -31.9108 -13.1938 -13.1938 -12.8341 -12.8341 -12.7944 -12.7944 -0.5549 -0.5549 -0.5108 -0.5108 1.3828 1.3828 1.3868 1.3868 1.4533 1.4533 1.6019 1.6019 1.6729 1.6729 1.9372 1.9372 1.9528 1.9528 1.9983 1.9983 2.0929 2.0929 2.2299 2.2299 6.3027 6.3027 6.4796 6.4796 7.7417 7.7417 8.9729 8.9729 9.7738 9.7738 10.0881 10.0881 10.2694 10.2694 11.0479 11.0479 11.7346 11.7346 k = 0.5000 0.2790 0.1348 ( 3286 PWs) bands (ev): -31.9109 -31.9109 -13.1936 -13.1936 -12.8339 -12.8339 -12.7938 -12.7938 -0.5737 -0.5737 -0.5203 -0.5203 1.3792 1.3792 1.3841 1.3841 1.4510 1.4510 1.6001 1.6001 1.6701 1.6701 1.9375 1.9375 1.9519 1.9519 1.9993 1.9993 2.0948 2.0948 2.2371 2.2371 6.3961 6.3961 6.5503 6.5503 7.7461 7.7461 8.8405 8.8405 9.8483 9.8483 10.1687 10.1687 10.1971 10.1971 10.9716 10.9716 11.8063 11.8063 k = 0.5000 0.2790 0.1155 ( 3286 PWs) bands (ev): -31.9109 -31.9109 -13.1933 -13.1933 -12.8338 -12.8338 -12.7933 -12.7933 -0.5900 -0.5900 -0.5286 -0.5286 1.3758 1.3758 1.3819 1.3819 1.4491 1.4491 1.5986 1.5986 1.6678 1.6678 1.9378 1.9378 1.9511 1.9511 2.0002 2.0002 2.0965 2.0965 2.2434 2.2434 6.4867 6.4867 6.6155 6.6155 7.7493 7.7493 8.7160 8.7160 9.9226 9.9226 10.1240 10.1240 10.2458 10.2458 10.8932 10.8932 11.8909 11.8909 k = 0.5000 0.2790 0.0963 ( 3284 PWs) bands (ev): -31.9109 -31.9109 -13.1931 -13.1931 -12.8337 -12.8337 -12.7928 -12.7928 -0.6038 -0.6038 -0.5358 -0.5358 1.3728 1.3728 1.3799 1.3799 1.4476 1.4476 1.5974 1.5974 1.6657 1.6657 1.9380 1.9380 1.9504 1.9504 2.0011 2.0011 2.0980 2.0980 2.2488 2.2488 6.5724 6.5724 6.6741 6.6741 7.7515 7.7515 8.6014 8.6014 9.9967 9.9967 10.0577 10.0577 10.3141 10.3141 10.8139 10.8139 11.9849 11.9849 k = 0.5000 0.2790 0.0770 ( 3286 PWs) bands (ev): -31.9110 -31.9110 -13.1930 -13.1930 -12.8336 -12.8336 -12.7924 -12.7924 -0.6152 -0.6152 -0.5417 -0.5417 1.3702 1.3702 1.3784 1.3784 1.4464 1.4464 1.5964 1.5964 1.6641 1.6641 1.9382 1.9382 1.9499 1.9499 2.0017 2.0017 2.0991 2.0991 2.2533 2.2533 6.6506 6.6506 6.7248 6.7248 7.7530 7.7530 8.4993 8.4993 9.9982 9.9982 10.0716 10.0716 10.3735 10.3735 10.7348 10.7348 12.0847 12.0847 k = 0.5000 0.2790 0.0578 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1929 -13.1929 -12.8336 -12.8336 -12.7921 -12.7921 -0.6240 -0.6240 -0.5463 -0.5463 1.3682 1.3682 1.3771 1.3771 1.4456 1.4456 1.5956 1.5956 1.6628 1.6628 1.9383 1.9383 1.9494 1.9494 2.0022 2.0022 2.1001 2.1001 2.2567 2.2567 6.7177 6.7177 6.7665 6.7665 7.7539 7.7539 8.4130 8.4130 9.9500 9.9500 10.1446 10.1446 10.4221 10.4221 10.6571 10.6571 12.1859 12.1859 k = 0.5000 0.2790 0.0385 ( 3292 PWs) bands (ev): -31.9110 -31.9110 -13.1928 -13.1928 -12.8336 -12.8336 -12.7919 -12.7919 -0.6303 -0.6303 -0.5496 -0.5496 1.3667 1.3667 1.3762 1.3762 1.4449 1.4449 1.5950 1.5950 1.6619 1.6619 1.9385 1.9385 1.9491 1.9491 2.0026 2.0026 2.1008 2.1008 2.2592 2.2592 6.7691 6.7691 6.7986 6.7986 7.7545 7.7545 8.3467 8.3467 9.9140 9.9140 10.2151 10.2151 10.4583 10.4583 10.5831 10.5831 12.2817 12.2817 k = 0.5000 0.2790 0.0193 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7918 -12.7918 -0.6341 -0.6341 -0.5516 -0.5516 1.3658 1.3658 1.3756 1.3756 1.4446 1.4446 1.5947 1.5947 1.6614 1.6614 1.9386 1.9386 1.9489 1.9489 2.0028 2.0028 2.1012 2.1012 2.2607 2.2607 6.7997 6.7997 6.8209 6.8209 7.7548 7.7548 8.3046 8.3046 9.8918 9.8918 10.2768 10.2768 10.4803 10.4803 10.5197 10.5197 12.3587 12.3587 k = 0.5000 0.2790 0.0000 ( 3294 PWs) bands (ev): -31.9110 -31.9110 -13.1927 -13.1927 -12.8335 -12.8335 -12.7917 -12.7917 -0.6354 -0.6354 -0.5523 -0.5523 1.3655 1.3655 1.3754 1.3754 1.4444 1.4444 1.5946 1.5946 1.6612 1.6612 1.9386 1.9386 1.9489 1.9489 2.0029 2.0029 2.1013 2.1013 2.2612 2.2612 6.8091 6.8091 6.8296 6.8296 7.7549 7.7549 8.2901 8.2901 9.8843 9.8843 10.3065 10.3065 10.4836 10.4836 10.4935 10.4935 12.3911 12.3911 k = 0.0000 0.0000 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0180 1.0180 1.3738 1.3738 1.3763 1.3763 1.7278 1.7278 1.8079 1.8079 1.8164 1.8164 1.8208 1.8208 2.0451 2.0451 2.0530 2.0530 2.0665 2.0665 3.1862 3.1862 4.1353 4.1353 4.4765 4.4765 5.3827 5.3827 5.9189 5.9189 7.2975 7.2975 9.9766 9.9766 10.4897 10.4897 10.9722 10.9722 13.1857 13.1857 k = 0.0167 0.0093 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0180 1.0180 1.3737 1.3737 1.3764 1.3764 1.7278 1.7278 1.8079 1.8079 1.8166 1.8166 1.8209 1.8209 2.0451 2.0451 2.0530 2.0530 2.0667 2.0667 3.1854 3.1854 4.1359 4.1359 4.4750 4.4750 5.3842 5.3842 5.9224 5.9224 7.2924 7.2924 9.9611 9.9611 10.4973 10.4973 10.9926 10.9926 13.1770 13.1770 k = 0.0333 0.0186 1.0261 ( 3236 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0179 1.0179 1.3736 1.3736 1.3765 1.3765 1.7277 1.7277 1.8079 1.8079 1.8170 1.8170 1.8210 1.8210 2.0451 2.0451 2.0529 2.0529 2.0672 2.0672 3.1831 3.1831 4.1378 4.1378 4.4706 4.4706 5.3887 5.3887 5.9329 5.9329 7.2773 7.2773 9.9181 9.9181 10.5199 10.5199 11.0503 11.0503 13.1509 13.1509 k = 0.0500 0.0279 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0993 -0.0993 1.0178 1.0178 1.3735 1.3735 1.3767 1.3767 1.7274 1.7274 1.8080 1.8080 1.8176 1.8176 1.8211 1.8211 2.0451 2.0451 2.0528 2.0528 2.0679 2.0679 3.1792 3.1792 4.1410 4.1410 4.4634 4.4634 5.3959 5.3959 5.9501 5.9501 7.2527 7.2527 9.8560 9.8560 10.5571 10.5571 11.1370 11.1370 13.1079 13.1079 k = 0.0667 0.0372 1.0261 ( 3250 PWs) bands (ev): -31.9066 -31.9066 -13.2126 -13.2126 -12.8405 -12.8405 -12.8353 -12.8353 -0.0993 -0.0993 1.0176 1.0176 1.3732 1.3732 1.3768 1.3768 1.7271 1.7271 1.8081 1.8081 1.8185 1.8185 1.8214 1.8214 2.0451 2.0451 2.0526 2.0526 2.0689 2.0689 3.1741 3.1741 4.1455 4.1455 4.4537 4.4537 5.4056 5.4056 5.9739 5.9739 7.2193 7.2193 9.7829 9.7829 10.6081 10.6081 11.2445 11.2445 13.0488 13.0488 k = 0.0833 0.0465 1.0261 ( 3250 PWs) bands (ev): -31.9066 -31.9066 -13.2126 -13.2126 -12.8405 -12.8405 -12.8353 -12.8353 -0.0992 -0.0992 1.0174 1.0174 1.3730 1.3730 1.3770 1.3770 1.7267 1.7267 1.8081 1.8081 1.8195 1.8195 1.8217 1.8217 2.0452 2.0452 2.0524 2.0524 2.0701 2.0701 3.1680 3.1680 4.1512 4.1512 4.4418 4.4418 5.4174 5.4174 6.0038 6.0038 7.1779 7.1779 9.7051 9.7051 10.6719 10.6719 11.3664 11.3664 12.9748 12.9748 k = 0.1000 0.0558 1.0261 ( 3238 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0992 -0.0992 1.0173 1.0173 1.3728 1.3728 1.3772 1.3772 1.7264 1.7264 1.8081 1.8081 1.8203 1.8203 1.8225 1.8225 2.0453 2.0453 2.0522 2.0522 2.0716 2.0716 3.1611 3.1611 4.1581 4.1581 4.4280 4.4280 5.4308 5.4308 6.0395 6.0395 7.1297 7.1297 9.6272 9.6272 10.7474 10.7474 11.4983 11.4983 12.8874 12.8874 k = 0.1167 0.0651 1.0261 ( 3238 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0992 -0.0992 1.0171 1.0171 1.3726 1.3726 1.3774 1.3774 1.7260 1.7260 1.8080 1.8080 1.8209 1.8209 1.8236 1.8236 2.0454 2.0454 2.0519 2.0519 2.0731 2.0731 3.1537 3.1537 4.1662 4.1662 4.4126 4.4126 5.4452 5.4452 6.0805 6.0805 7.0757 7.0757 9.5520 9.5520 10.8336 10.8336 11.6368 11.6368 12.7883 12.7883 k = 0.1333 0.0744 1.0261 ( 3244 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0992 -0.0992 1.0169 1.0169 1.3724 1.3724 1.3775 1.3775 1.7256 1.7256 1.8080 1.8080 1.8212 1.8212 1.8250 1.8250 2.0456 2.0456 2.0515 2.0515 2.0747 2.0747 3.1462 3.1462 4.1756 4.1756 4.3960 4.3960 5.4600 5.4600 6.1264 6.1264 7.0169 7.0169 9.4819 9.4819 10.9293 10.9293 11.7794 11.7794 12.6791 12.6791 k = 0.1500 0.0837 1.0261 ( 3232 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0168 1.0168 1.3722 1.3722 1.3777 1.3777 1.7253 1.7253 1.8079 1.8079 1.8215 1.8215 1.8265 1.8265 2.0459 2.0459 2.0511 2.0511 2.0763 2.0763 3.1388 3.1388 4.1861 4.1861 4.3786 4.3786 5.4745 5.4745 6.1767 6.1767 6.9543 6.9543 9.4182 9.4182 11.0332 11.0332 11.9238 11.9238 12.5619 12.5619 k = 0.1667 0.0930 1.0261 ( 3230 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0166 1.0166 1.3720 1.3720 1.3779 1.3779 1.7250 1.7250 1.8078 1.8078 1.8217 1.8217 1.8279 1.8279 2.0461 2.0461 2.0507 2.0507 2.0778 2.0778 3.1320 3.1320 4.1978 4.1978 4.3606 4.3606 5.4881 5.4881 6.2309 6.2309 6.8888 6.8888 9.3624 9.3624 11.1445 11.1445 12.0673 12.0673 12.4382 12.4382 k = 0.1833 0.1023 1.0261 ( 3230 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8403 -12.8403 -12.8353 -12.8353 -0.0991 -0.0991 1.0165 1.0165 1.3719 1.3719 1.3780 1.3780 1.7247 1.7247 1.8077 1.8077 1.8218 1.8218 1.8291 1.8291 2.0463 2.0463 2.0504 2.0504 2.0791 2.0791 3.1260 3.1260 4.2105 4.2105 4.3424 4.3424 5.5002 5.5002 6.2887 6.2887 6.8214 6.8214 9.3154 9.3154 11.2620 11.2620 12.2065 12.2065 12.3101 12.3101 k = 0.2000 0.1116 1.0261 ( 3240 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0163 1.0163 1.3718 1.3718 1.3781 1.3781 1.7244 1.7244 1.8077 1.8077 1.8219 1.8219 1.8300 1.8300 2.0465 2.0465 2.0499 2.0499 2.0802 2.0802 3.1210 3.1210 4.2243 4.2243 4.3242 4.3242 5.5103 5.5103 6.3495 6.3495 6.7527 6.7527 9.2781 9.2781 11.3847 11.3847 12.1772 12.1772 12.3382 12.3382 k = 0.2167 0.1209 1.0261 ( 3232 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0163 1.0163 1.3717 1.3717 1.3781 1.3781 1.7243 1.7243 1.8077 1.8077 1.8221 1.8221 1.8308 1.8308 2.0468 2.0468 2.0496 2.0496 2.0810 2.0810 3.1173 3.1173 4.2390 4.2390 4.3062 4.3062 5.5179 5.5179 6.4129 6.4129 6.6835 6.6835 9.2509 9.2509 11.5118 11.5118 12.0436 12.0436 12.4516 12.4516 k = 0.2333 0.1302 1.0261 ( 3234 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0162 1.0162 1.3716 1.3716 1.3782 1.3782 1.7242 1.7242 1.8076 1.8076 1.8221 1.8221 1.8312 1.8312 2.0470 2.0470 2.0494 2.0494 2.0815 2.0815 3.1150 3.1150 4.2545 4.2545 4.2886 4.2886 5.5226 5.5226 6.4785 6.4785 6.6144 6.6144 9.2345 9.2345 11.6421 11.6421 11.9091 11.9091 12.5341 12.5341 k = 0.2500 0.1395 1.0261 ( 3228 PWs) bands (ev): -31.9066 -31.9066 -13.2125 -13.2125 -12.8404 -12.8404 -12.8353 -12.8353 -0.0991 -0.0991 1.0162 1.0162 1.3716 1.3716 1.3782 1.3782 1.7241 1.7241 1.8076 1.8076 1.8222 1.8222 1.8314 1.8314 2.0470 2.0470 2.0494 2.0494 2.0817 2.0817 3.1142 3.1142 4.2678 4.2678 4.2747 4.2747 5.5242 5.5242 6.5445 6.5445 6.5472 6.5472 9.2290 9.2290 11.7717 11.7717 11.7781 11.7781 12.5656 12.5656 Writing output data file CaxZnSix2.save init_run : 0.38s CPU 0.96s WALL ( 1 calls) electrons : 284.10s CPU 289.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.27s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 284.09s CPU 289.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 344 calls) cegterg : 263.11s CPU 266.12s WALL ( 878 calls) Called by sum_band: Called by *egterg: h_psi : 164.05s CPU 166.18s WALL ( 15310 calls) s_psi : 8.66s CPU 8.84s WALL ( 15310 calls) g_psi : 0.28s CPU 0.26s WALL ( 14088 calls) cdiaghg : 87.07s CPU 87.73s WALL ( 14432 calls) cegterg:over : 6.34s CPU 6.55s WALL ( 14088 calls) cegterg:upda : 5.79s CPU 5.96s WALL ( 14088 calls) cegterg:last : 3.02s CPU 2.99s WALL ( 1896 calls) cdiaghg:chol : 5.05s CPU 4.78s WALL ( 14432 calls) cdiaghg:inve : 3.08s CPU 3.14s WALL ( 14432 calls) cdiaghg:para : 4.88s CPU 5.01s WALL ( 28864 calls) Called by h_psi: h_psi:vloc : 145.13s CPU 147.26s WALL ( 15310 calls) h_psi:vnl : 18.64s CPU 18.68s WALL ( 15310 calls) add_vuspsi : 10.31s CPU 10.20s WALL ( 15310 calls) General routines calbec : 8.28s CPU 8.44s WALL ( 15310 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 136.33s CPU 138.44s WALL ( 1086884 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 688 calls) Parallel routines fft_scatter : 41.44s CPU 42.03s WALL ( 1086907 calls) PWSCF : 4m59.58s CPU 5m44.45s WALL This run was terminated on: 16:38: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=