Program PWSCF v.5.1.1 starts on 25Oct2015 at 9:30:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgxAlSe2x2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 113 69 19 2996 1422 221 Max 114 70 20 2998 1439 224 Sum 5449 3327 959 143857 68675 10719 bravais-lattice index = 14 lattice parameter (alat) = 24.5189 a.u. unit-cell volume = 1124.4016 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 24.518897 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.955287 celldm(5)= 0.955287 celldm(6)= 0.955287 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.955287 0.295679 0.000000 ) a(3) = ( 0.955287 0.144459 0.257988 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.230830 -1.893759 ) b(2) = ( 0.000000 3.382050 -1.893759 ) b(3) = ( 0.000000 0.000000 3.876156 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Se 6.00 78.96000 Se( 1.00) Mg 10.00 24.30500 Mg( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0106383 -0.0343705 -0.0201464), wk = 0.0034014 k( 3) = ( 0.0212766 -0.0687411 -0.0402928), wk = 0.0034014 k( 4) = ( 0.0319149 -0.1031116 -0.0604391), wk = 0.0034014 k( 5) = ( 0.0425532 -0.1374821 -0.0805855), wk = 0.0034014 k( 6) = ( 0.0531915 -0.1718527 -0.1007319), wk = 0.0034014 k( 7) = ( 0.0638298 -0.2062232 -0.1208782), wk = 0.0034014 k( 8) = ( 0.0744681 -0.2405938 -0.1410246), wk = 0.0034014 k( 9) = ( 0.0851064 -0.2749643 -0.1611710), wk = 0.0034014 k( 10) = ( 0.0957447 -0.3093348 -0.1813174), wk = 0.0034014 k( 11) = ( 0.1063830 -0.3437053 -0.2014637), wk = 0.0034014 k( 12) = ( 0.1170213 -0.3780759 -0.2216101), wk = 0.0034014 k( 13) = ( 0.1276596 -0.4124464 -0.2417565), wk = 0.0034014 k( 14) = ( 0.1382979 -0.4468169 -0.2619029), wk = 0.0034014 k( 15) = ( 0.1489362 -0.4811875 -0.2820492), wk = 0.0034014 k( 16) = ( 0.1595745 -0.5155580 -0.3021956), wk = 0.0034014 k( 17) = ( 0.1702128 -0.5499286 -0.3223420), wk = 0.0034014 k( 18) = ( 0.1808511 -0.5842991 -0.3424883), wk = 0.0034014 k( 19) = ( 0.1914894 -0.6186696 -0.3626347), wk = 0.0034014 k( 20) = ( 0.2021277 -0.6530401 -0.3827811), wk = 0.0034014 k( 21) = ( 0.2127660 -0.6874107 -0.4029275), wk = 0.0034014 k( 22) = ( 0.2234043 -0.7217812 -0.4230739), wk = 0.0034014 k( 23) = ( 0.2340425 -0.7561517 -0.4432202), wk = 0.0034014 k( 24) = ( 0.2446809 -0.7905223 -0.4633666), wk = 0.0034014 k( 25) = ( 0.2553191 -0.8248928 -0.4835130), wk = 0.0034014 k( 26) = ( 0.2659574 -0.8592634 -0.5036593), wk = 0.0034014 k( 27) = ( 0.2765957 -0.8936339 -0.5238057), wk = 0.0034014 k( 28) = ( 0.2872340 -0.9280044 -0.5439521), wk = 0.0034014 k( 29) = ( 0.2978723 -0.9623749 -0.5640985), wk = 0.0034014 k( 30) = ( 0.3085106 -0.9967455 -0.5842448), wk = 0.0034014 k( 31) = ( 0.3191489 -1.0311160 -0.6043912), wk = 0.0034014 k( 32) = ( 0.3297872 -1.0654865 -0.6245376), wk = 0.0034014 k( 33) = ( 0.3404255 -1.0998571 -0.6446840), wk = 0.0034014 k( 34) = ( 0.3510638 -1.1342276 -0.6648303), wk = 0.0034014 k( 35) = ( 0.3617021 -1.1685982 -0.6849767), wk = 0.0034014 k( 36) = ( 0.3723404 -1.2029687 -0.7051231), wk = 0.0034014 k( 37) = ( 0.3829787 -1.2373392 -0.7252694), wk = 0.0034014 k( 38) = ( 0.3936170 -1.2717098 -0.7454158), wk = 0.0034014 k( 39) = ( 0.4042553 -1.3060803 -0.7655622), wk = 0.0034014 k( 40) = ( 0.4148936 -1.3404508 -0.7857086), wk = 0.0034014 k( 41) = ( 0.4255319 -1.3748213 -0.8058549), wk = 0.0034014 k( 42) = ( 0.4361702 -1.4091919 -0.8260013), wk = 0.0034014 k( 43) = ( 0.4468085 -1.4435624 -0.8461477), wk = 0.0034014 k( 44) = ( 0.4574468 -1.4779330 -0.8662941), wk = 0.0034014 k( 45) = ( 0.4680851 -1.5123035 -0.8864405), wk = 0.0034014 k( 46) = ( 0.4787234 -1.5466740 -0.9065868), wk = 0.0034014 k( 47) = ( 0.4893617 -1.5810446 -0.9267332), wk = 0.0034014 k( 48) = ( 0.5000000 -1.6154151 -0.9468796), wk = 0.0034014 k( 49) = ( 0.5000000 -1.6154151 -0.9468796), wk = 0.0034014 k( 50) = ( 0.5000000 -1.5946653 -0.9822795), wk = 0.0034014 k( 51) = ( 0.5000000 -1.5739155 -1.0176795), wk = 0.0034014 k( 52) = ( 0.5000000 -1.5531658 -1.0530794), wk = 0.0034014 k( 53) = ( 0.5000000 -1.5324160 -1.0884793), wk = 0.0034014 k( 54) = ( 0.5000000 -1.5116662 -1.1238793), wk = 0.0034014 k( 55) = ( 0.5000000 -1.4909165 -1.1592793), wk = 0.0034014 k( 56) = ( 0.5000000 -1.4701667 -1.1946792), wk = 0.0034014 k( 57) = ( 0.5000000 -1.4494170 -1.2300791), wk = 0.0034014 k( 58) = ( 0.5000000 -1.4286672 -1.2654791), wk = 0.0034014 k( 59) = ( 0.5000000 -1.4079174 -1.3008791), wk = 0.0034014 k( 60) = ( 0.5000000 -1.3871677 -1.3362790), wk = 0.0034014 k( 61) = ( 0.5000000 -1.3664179 -1.3716790), wk = 0.0034014 k( 62) = ( 0.5000000 -1.3456681 -1.4070789), wk = 0.0034014 k( 63) = ( 0.5000000 -1.3249184 -1.4424788), wk = 0.0034014 k( 64) = ( 0.5000000 -1.3041686 -1.4778788), wk = 0.0034014 k( 65) = ( 0.5000000 -1.2834188 -1.5132788), wk = 0.0034014 k( 66) = ( 0.5000000 -1.2626690 -1.5486787), wk = 0.0034014 k( 67) = ( 0.5000000 -1.2419193 -1.5840786), wk = 0.0034014 k( 68) = ( 0.5000000 -1.2211695 -1.6194786), wk = 0.0034014 k( 69) = ( 0.5000000 -1.2004197 -1.6548785), wk = 0.0034014 k( 70) = ( 0.5000000 -1.1796700 -1.6902785), wk = 0.0034014 k( 71) = ( 0.5000000 -1.1589202 -1.7256785), wk = 0.0034014 k( 72) = ( 0.5000000 -1.1381704 -1.7610784), wk = 0.0034014 k( 73) = ( 0.5000000 -1.1174207 -1.7964783), wk = 0.0034014 k( 74) = ( 0.5000000 -1.0966709 -1.8318783), wk = 0.0034014 k( 75) = ( 0.5000000 -1.0759211 -1.8672782), wk = 0.0034014 k( 76) = ( 0.5000000 -1.0551714 -1.9026782), wk = 0.0034014 k( 77) = ( 0.5000000 -1.0344216 -1.9380782), wk = 0.0034014 k( 78) = ( 0.8282126 -0.9847893 -1.8494401), wk = 0.0034014 k( 79) = ( 0.8221346 -0.9651522 -1.8143705), wk = 0.0034014 k( 80) = ( 0.8160566 -0.9455152 -1.7793009), wk = 0.0034014 k( 81) = ( 0.8099786 -0.9258782 -1.7442313), wk = 0.0034014 k( 82) = ( 0.8039006 -0.9062412 -1.7091617), wk = 0.0034014 k( 83) = ( 0.7978226 -0.8866042 -1.6740921), wk = 0.0034014 k( 84) = ( 0.7917446 -0.8669671 -1.6390224), wk = 0.0034014 k( 85) = ( 0.7856665 -0.8473301 -1.6039528), wk = 0.0034014 k( 86) = ( 0.7795885 -0.8276931 -1.5688832), wk = 0.0034014 k( 87) = ( 0.7735105 -0.8080561 -1.5338136), wk = 0.0034014 k( 88) = ( 0.7674325 -0.7884190 -1.4987440), wk = 0.0034014 k( 89) = ( 0.7613545 -0.7687820 -1.4636744), wk = 0.0034014 k( 90) = ( 0.7552765 -0.7491450 -1.4286048), wk = 0.0034014 k( 91) = ( 0.7491985 -0.7295080 -1.3935351), wk = 0.0034014 k( 92) = ( 0.7431205 -0.7098709 -1.3584655), wk = 0.0034014 k( 93) = ( 0.7370425 -0.6902339 -1.3233959), wk = 0.0034014 k( 94) = ( 0.7309644 -0.6705969 -1.2883263), wk = 0.0034014 k( 95) = ( 0.7248864 -0.6509599 -1.2532567), wk = 0.0034014 k( 96) = ( 0.7188084 -0.6313228 -1.2181871), wk = 0.0034014 k( 97) = ( 0.7127304 -0.6116858 -1.1831175), wk = 0.0034014 k( 98) = ( 0.7066524 -0.5920488 -1.1480479), wk = 0.0034014 k( 99) = ( 0.7005744 -0.5724118 -1.1129783), wk = 0.0034014 k( 100) = ( 0.6944964 -0.5527748 -1.0779087), wk = 0.0034014 k( 101) = ( 0.6884184 -0.5331377 -1.0428390), wk = 0.0034014 k( 102) = ( 0.6823404 -0.5135007 -1.0077694), wk = 0.0034014 k( 103) = ( 0.6762623 -0.4938637 -0.9726998), wk = 0.0034014 k( 104) = ( 0.6701843 -0.4742267 -0.9376302), wk = 0.0034014 k( 105) = ( 0.6641063 -0.4545896 -0.9025606), wk = 0.0034014 k( 106) = ( 0.6580283 -0.4349526 -0.8674910), wk = 0.0034014 k( 107) = ( 0.6519503 -0.4153156 -0.8324213), wk = 0.0034014 k( 108) = ( 0.6458723 -0.3956785 -0.7973517), wk = 0.0034014 k( 109) = ( 0.6397943 -0.3760415 -0.7622821), wk = 0.0034014 k( 110) = ( 0.6337163 -0.3564045 -0.7272125), wk = 0.0034014 k( 111) = ( 0.6276382 -0.3367675 -0.6921429), wk = 0.0034014 k( 112) = ( 0.6215602 -0.3171304 -0.6570732), wk = 0.0034014 k( 113) = ( 0.6154822 -0.2974934 -0.6220036), wk = 0.0034014 k( 114) = ( 0.6094042 -0.2778564 -0.5869340), wk = 0.0034014 k( 115) = ( 0.6033262 -0.2582194 -0.5518644), wk = 0.0034014 k( 116) = ( 0.5972482 -0.2385824 -0.5167948), wk = 0.0034014 k( 117) = ( 0.5911702 -0.2189454 -0.4817252), wk = 0.0034014 k( 118) = ( 0.5850922 -0.1993083 -0.4466556), wk = 0.0034014 k( 119) = ( 0.5790142 -0.1796713 -0.4115860), wk = 0.0034014 k( 120) = ( 0.5729361 -0.1600343 -0.3765164), wk = 0.0034014 k( 121) = ( 0.5668581 -0.1403972 -0.3414468), wk = 0.0034014 k( 122) = ( 0.5607801 -0.1207602 -0.3063772), wk = 0.0034014 k( 123) = ( 0.5547021 -0.1011232 -0.2713075), wk = 0.0034014 k( 124) = ( 0.5486241 -0.0814862 -0.2362379), wk = 0.0034014 k( 125) = ( 0.5425461 -0.0618491 -0.2011683), wk = 0.0034014 k( 126) = ( 0.5364681 -0.0422121 -0.1660987), wk = 0.0034014 k( 127) = ( 0.5303901 -0.0225751 -0.1310291), wk = 0.0034014 k( 128) = ( 0.5243121 -0.0029381 -0.0959595), wk = 0.0034014 k( 129) = ( 0.5182340 0.0166989 -0.0608899), wk = 0.0034014 k( 130) = ( 0.5121560 0.0363360 -0.0258202), wk = 0.0034014 k( 131) = ( 0.5060780 0.0559730 0.0092494), wk = 0.0034014 k( 132) = ( 0.5000000 0.0756100 0.0443190), wk = 0.0034014 k( 133) = ( 0.5000000 0.0756100 0.0443190), wk = 0.0034014 k( 134) = ( 0.4615385 0.0697939 0.0409098), wk = 0.0034014 k( 135) = ( 0.4230769 0.0639777 0.0375007), wk = 0.0034014 k( 136) = ( 0.3846154 0.0581616 0.0340915), wk = 0.0034014 k( 137) = ( 0.3461538 0.0523454 0.0306824), wk = 0.0034014 k( 138) = ( 0.3076923 0.0465292 0.0272732), wk = 0.0034014 k( 139) = ( 0.2692308 0.0407131 0.0238641), wk = 0.0034014 k( 140) = ( 0.2307692 0.0348969 0.0204549), wk = 0.0034014 k( 141) = ( 0.1923077 0.0290808 0.0170458), wk = 0.0034014 k( 142) = ( 0.1538461 0.0232646 0.0136366), wk = 0.0034014 k( 143) = ( 0.1153846 0.0174485 0.0102275), wk = 0.0034014 k( 144) = ( 0.0769231 0.0116323 0.0068183), wk = 0.0034014 k( 145) = ( 0.0384615 0.0058162 0.0034092), wk = 0.0034014 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 148) = ( 0.0061072 -0.0197312 -0.0352378), wk = 0.0034014 k( 149) = ( 0.0122143 -0.0394624 -0.0704756), wk = 0.0034014 k( 150) = ( 0.0183215 -0.0591936 -0.1057133), wk = 0.0034014 k( 151) = ( 0.0244286 -0.0789248 -0.1409511), wk = 0.0034014 k( 152) = ( 0.0305358 -0.0986560 -0.1761889), wk = 0.0034014 k( 153) = ( 0.0366430 -0.1183871 -0.2114267), wk = 0.0034014 k( 154) = ( 0.0427501 -0.1381183 -0.2466645), wk = 0.0034014 k( 155) = ( 0.0488573 -0.1578495 -0.2819023), wk = 0.0034014 k( 156) = ( 0.0549644 -0.1775807 -0.3171401), wk = 0.0034014 k( 157) = ( 0.0610716 -0.1973119 -0.3523778), wk = 0.0034014 k( 158) = ( 0.0671787 -0.2170431 -0.3876156), wk = 0.0034014 k( 159) = ( 0.0732859 -0.2367743 -0.4228534), wk = 0.0034014 k( 160) = ( 0.0793931 -0.2565055 -0.4580912), wk = 0.0034014 k( 161) = ( 0.0855002 -0.2762367 -0.4933290), wk = 0.0034014 k( 162) = ( 0.0916074 -0.2959679 -0.5285668), wk = 0.0034014 k( 163) = ( 0.0977145 -0.3156991 -0.5638046), wk = 0.0034014 k( 164) = ( 0.1038217 -0.3354302 -0.5990423), wk = 0.0034014 k( 165) = ( 0.1099288 -0.3551614 -0.6342801), wk = 0.0034014 k( 166) = ( 0.1160360 -0.3748926 -0.6695179), wk = 0.0034014 k( 167) = ( 0.1221432 -0.3946238 -0.7047557), wk = 0.0034014 k( 168) = ( 0.1282503 -0.4143550 -0.7399935), wk = 0.0034014 k( 169) = ( 0.1343575 -0.4340862 -0.7752312), wk = 0.0034014 k( 170) = ( 0.1404646 -0.4538174 -0.8104690), wk = 0.0034014 k( 171) = ( 0.1465718 -0.4735486 -0.8457068), wk = 0.0034014 k( 172) = ( 0.1526790 -0.4932798 -0.8809446), wk = 0.0034014 k( 173) = ( 0.1587861 -0.5130109 -0.9161824), wk = 0.0034014 k( 174) = ( 0.1648933 -0.5327421 -0.9514202), wk = 0.0034014 k( 175) = ( 0.1710004 -0.5524733 -0.9866580), wk = 0.0034014 k( 176) = ( 0.1771076 -0.5722045 -1.0218958), wk = 0.0034014 k( 177) = ( 0.1832147 -0.5919357 -1.0571335), wk = 0.0034014 k( 178) = ( 0.1893219 -0.6116669 -1.0923713), wk = 0.0034014 k( 179) = ( 0.1954290 -0.6313981 -1.1276091), wk = 0.0034014 k( 180) = ( 0.2015362 -0.6511293 -1.1628469), wk = 0.0034014 k( 181) = ( 0.2076434 -0.6708605 -1.1980847), wk = 0.0034014 k( 182) = ( 0.2137505 -0.6905917 -1.2333225), wk = 0.0034014 k( 183) = ( 0.2198577 -0.7103228 -1.2685602), wk = 0.0034014 k( 184) = ( 0.2259648 -0.7300540 -1.3037980), wk = 0.0034014 k( 185) = ( 0.2320720 -0.7497852 -1.3390358), wk = 0.0034014 k( 186) = ( 0.2381792 -0.7695164 -1.3742736), wk = 0.0034014 k( 187) = ( 0.2442863 -0.7892476 -1.4095113), wk = 0.0034014 k( 188) = ( 0.2503935 -0.8089788 -1.4447491), wk = 0.0034014 k( 189) = ( 0.2565006 -0.8287100 -1.4799869), wk = 0.0034014 k( 190) = ( 0.2626078 -0.8484412 -1.5152247), wk = 0.0034014 k( 191) = ( 0.2687150 -0.8681724 -1.5504625), wk = 0.0034014 k( 192) = ( 0.2748221 -0.8879035 -1.5857003), wk = 0.0034014 k( 193) = ( 0.2809293 -0.9076347 -1.6209381), wk = 0.0034014 k( 194) = ( 0.2870364 -0.9273659 -1.6561759), wk = 0.0034014 k( 195) = ( 0.2931436 -0.9470971 -1.6914137), wk = 0.0034014 k( 196) = ( 0.2992507 -0.9668283 -1.7266515), wk = 0.0034014 k( 197) = ( 0.3053579 -0.9865595 -1.7618892), wk = 0.0034014 k( 198) = ( 0.3114651 -1.0062907 -1.7971270), wk = 0.0034014 k( 199) = ( 0.3175722 -1.0260219 -1.8323648), wk = 0.0034014 k( 200) = ( 0.3236794 -1.0457531 -1.8676026), wk = 0.0034014 k( 201) = ( 0.3297865 -1.0654842 -1.9028403), wk = 0.0034014 k( 202) = ( 0.3358937 -1.0852154 -1.9380781), wk = 0.0034014 k( 203) = ( 0.6641063 -1.0096055 -1.8937591), wk = 0.0034014 k( 204) = ( 0.6580283 -0.9694123 -1.8937591), wk = 0.0034014 k( 205) = ( 0.6519503 -0.9292191 -1.8937591), wk = 0.0034014 k( 206) = ( 0.6458723 -0.8890259 -1.8937591), wk = 0.0034014 k( 207) = ( 0.6397943 -0.8488328 -1.8937591), wk = 0.0034014 k( 208) = ( 0.6337163 -0.8086396 -1.8937591), wk = 0.0034014 k( 209) = ( 0.6276382 -0.7684465 -1.8937591), wk = 0.0034014 k( 210) = ( 0.6215602 -0.7282532 -1.8937591), wk = 0.0034014 k( 211) = ( 0.6154822 -0.6880601 -1.8937591), wk = 0.0034014 k( 212) = ( 0.6094042 -0.6478669 -1.8937591), wk = 0.0034014 k( 213) = ( 0.6033262 -0.6076738 -1.8937591), wk = 0.0034014 k( 214) = ( 0.5972482 -0.5674806 -1.8937591), wk = 0.0034014 k( 215) = ( 0.5911702 -0.5272875 -1.8937591), wk = 0.0034014 k( 216) = ( 0.5850922 -0.4870943 -1.8937591), wk = 0.0034014 k( 217) = ( 0.5790142 -0.4469011 -1.8937591), wk = 0.0034014 k( 218) = ( 0.5729361 -0.4067080 -1.8937591), wk = 0.0034014 k( 219) = ( 0.5668581 -0.3665148 -1.8937591), wk = 0.0034014 k( 220) = ( 0.5607801 -0.3263216 -1.8937591), wk = 0.0034014 k( 221) = ( 0.5547021 -0.2861285 -1.8937591), wk = 0.0034014 k( 222) = ( 0.5486241 -0.2459353 -1.8937591), wk = 0.0034014 k( 223) = ( 0.5425461 -0.2057421 -1.8937591), wk = 0.0034014 k( 224) = ( 0.5364681 -0.1655490 -1.8937591), wk = 0.0034014 k( 225) = ( 0.5303901 -0.1253558 -1.8937591), wk = 0.0034014 k( 226) = ( 0.5243121 -0.0851627 -1.8937591), wk = 0.0034014 k( 227) = ( 0.5182340 -0.0449695 -1.8937591), wk = 0.0034014 k( 228) = ( 0.5121560 -0.0047763 -1.8937591), wk = 0.0034014 k( 229) = ( 0.5060780 0.0354169 -1.8937591), wk = 0.0034014 k( 230) = ( 0.5000000 0.0756100 -1.8937591), wk = 0.0034014 k( 231) = ( 0.5000000 0.0756100 -1.8937591), wk = 0.0034014 k( 232) = ( 0.5328213 0.0805732 -1.8848953), wk = 0.0034014 k( 233) = ( 0.5656425 0.0855365 -1.8760315), wk = 0.0034014 k( 234) = ( 0.5984638 0.0904997 -1.8671677), wk = 0.0034014 k( 235) = ( 0.6312851 0.0954629 -1.8583039), wk = 0.0034014 k( 236) = ( 0.6641063 0.1004262 -1.8494401), wk = 0.0034014 k( 237) = ( 0.6641063 0.1004262 -1.8494401), wk = 0.0034014 k( 238) = ( 0.6606147 0.0998982 -1.8091474), wk = 0.0034014 k( 239) = ( 0.6571231 0.0993702 -1.7688546), wk = 0.0034014 k( 240) = ( 0.6536315 0.0988422 -1.7285619), wk = 0.0034014 k( 241) = ( 0.6501398 0.0983142 -1.6882691), wk = 0.0034014 k( 242) = ( 0.6466482 0.0977862 -1.6479764), wk = 0.0034014 k( 243) = ( 0.6431566 0.0972582 -1.6076836), wk = 0.0034014 k( 244) = ( 0.6396650 0.0967302 -1.5673909), wk = 0.0034014 k( 245) = ( 0.6361733 0.0962022 -1.5270981), wk = 0.0034014 k( 246) = ( 0.6326817 0.0956741 -1.4868054), wk = 0.0034014 k( 247) = ( 0.6291901 0.0951461 -1.4465127), wk = 0.0034014 k( 248) = ( 0.6256985 0.0946181 -1.4062199), wk = 0.0034014 k( 249) = ( 0.6222068 0.0940901 -1.3659271), wk = 0.0034014 k( 250) = ( 0.6187152 0.0935621 -1.3256344), wk = 0.0034014 k( 251) = ( 0.6152236 0.0930341 -1.2853417), wk = 0.0034014 k( 252) = ( 0.6117320 0.0925061 -1.2450489), wk = 0.0034014 k( 253) = ( 0.6082403 0.0919781 -1.2047562), wk = 0.0034014 k( 254) = ( 0.6047487 0.0914501 -1.1644634), wk = 0.0034014 k( 255) = ( 0.6012571 0.0909221 -1.1241707), wk = 0.0034014 k( 256) = ( 0.5977655 0.0903941 -1.0838779), wk = 0.0034014 k( 257) = ( 0.5942738 0.0898661 -1.0435852), wk = 0.0034014 k( 258) = ( 0.5907822 0.0893381 -1.0032925), wk = 0.0034014 k( 259) = ( 0.5872906 0.0888101 -0.9629997), wk = 0.0034014 k( 260) = ( 0.5837990 0.0882821 -0.9227069), wk = 0.0034014 k( 261) = ( 0.5803073 0.0877541 -0.8824142), wk = 0.0034014 k( 262) = ( 0.5768157 0.0872261 -0.8421215), wk = 0.0034014 k( 263) = ( 0.5733241 0.0866981 -0.8018287), wk = 0.0034014 k( 264) = ( 0.5698325 0.0861701 -0.7615360), wk = 0.0034014 k( 265) = ( 0.5663409 0.0856421 -0.7212432), wk = 0.0034014 k( 266) = ( 0.5628492 0.0851141 -0.6809505), wk = 0.0034014 k( 267) = ( 0.5593576 0.0845861 -0.6406577), wk = 0.0034014 k( 268) = ( 0.5558660 0.0840581 -0.6003650), wk = 0.0034014 k( 269) = ( 0.5523744 0.0835301 -0.5600722), wk = 0.0034014 k( 270) = ( 0.5488827 0.0830021 -0.5197795), wk = 0.0034014 k( 271) = ( 0.5453911 0.0824741 -0.4794867), wk = 0.0034014 k( 272) = ( 0.5418995 0.0819461 -0.4391940), wk = 0.0034014 k( 273) = ( 0.5384079 0.0814181 -0.3989012), wk = 0.0034014 k( 274) = ( 0.5349162 0.0808901 -0.3586085), wk = 0.0034014 k( 275) = ( 0.5314246 0.0803620 -0.3183157), wk = 0.0034014 k( 276) = ( 0.5279330 0.0798340 -0.2780230), wk = 0.0034014 k( 277) = ( 0.5244414 0.0793060 -0.2377302), wk = 0.0034014 k( 278) = ( 0.5209497 0.0787780 -0.1974375), wk = 0.0034014 k( 279) = ( 0.5174581 0.0782500 -0.1571448), wk = 0.0034014 k( 280) = ( 0.5139665 0.0777220 -0.1168520), wk = 0.0034014 k( 281) = ( 0.5104749 0.0771940 -0.0765592), wk = 0.0034014 k( 282) = ( 0.5069832 0.0766660 -0.0362665), wk = 0.0034014 k( 283) = ( 0.5034916 0.0761380 0.0040263), wk = 0.0034014 k( 284) = ( 0.5000000 0.0756100 0.0443190), wk = 0.0034014 k( 285) = ( 0.5000000 -1.6154151 -0.9468796), wk = 0.0034014 k( 286) = ( 0.5364681 -1.6070140 -0.9419552), wk = 0.0034014 k( 287) = ( 0.5729361 -1.5986129 -0.9370309), wk = 0.0034014 k( 288) = ( 0.6094042 -1.5902118 -0.9321066), wk = 0.0034014 k( 289) = ( 0.6458723 -1.5818106 -0.9271822), wk = 0.0034014 k( 290) = ( 0.6823404 -1.5734095 -0.9222579), wk = 0.0034014 k( 291) = ( 0.7188084 -1.5650084 -0.9173336), wk = 0.0034014 k( 292) = ( 0.7552765 -1.5566073 -0.9124092), wk = 0.0034014 k( 293) = ( 0.7917446 -1.5482062 -0.9074849), wk = 0.0034014 k( 294) = ( 0.8282126 -1.5398051 -0.9025606), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0106383 0.0000000 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0212766 0.0000000 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0034014 k( 5) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0034014 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0034014 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0034014 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0034014 k( 9) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0034014 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0034014 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0034014 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0034014 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0034014 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0034014 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0034014 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0034014 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0034014 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0034014 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0034014 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0034014 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0034014 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0034014 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0034014 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0034014 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0034014 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0034014 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0034014 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0034014 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0034014 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0034014 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0034014 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0034014 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0034014 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0034014 k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0034014 k( 36) = ( 0.3723404 0.0000000 -0.0000000), wk = 0.0034014 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0034014 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0034014 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0034014 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0034014 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0034014 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0034014 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0034014 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0034014 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0034014 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0034014 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0034014 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 50) = ( 0.5000000 0.0061353 -0.0061353), wk = 0.0034014 k( 51) = ( 0.5000000 0.0122705 -0.0122705), wk = 0.0034014 k( 52) = ( 0.5000000 0.0184058 -0.0184058), wk = 0.0034014 k( 53) = ( 0.5000000 0.0245411 -0.0245410), wk = 0.0034014 k( 54) = ( 0.5000000 0.0306763 -0.0306763), wk = 0.0034014 k( 55) = ( 0.5000000 0.0368116 -0.0368116), wk = 0.0034014 k( 56) = ( 0.5000000 0.0429468 -0.0429468), wk = 0.0034014 k( 57) = ( 0.5000000 0.0490821 -0.0490821), wk = 0.0034014 k( 58) = ( 0.5000000 0.0552174 -0.0552174), wk = 0.0034014 k( 59) = ( 0.5000000 0.0613526 -0.0613526), wk = 0.0034014 k( 60) = ( 0.5000000 0.0674879 -0.0674879), wk = 0.0034014 k( 61) = ( 0.5000000 0.0736232 -0.0736232), wk = 0.0034014 k( 62) = ( 0.5000000 0.0797584 -0.0797584), wk = 0.0034014 k( 63) = ( 0.5000000 0.0858937 -0.0858937), wk = 0.0034014 k( 64) = ( 0.5000000 0.0920290 -0.0920289), wk = 0.0034014 k( 65) = ( 0.5000000 0.0981642 -0.0981642), wk = 0.0034014 k( 66) = ( 0.5000000 0.1042995 -0.1042995), wk = 0.0034014 k( 67) = ( 0.5000000 0.1104347 -0.1104347), wk = 0.0034014 k( 68) = ( 0.5000000 0.1165700 -0.1165700), wk = 0.0034014 k( 69) = ( 0.5000000 0.1227053 -0.1227053), wk = 0.0034014 k( 70) = ( 0.5000000 0.1288405 -0.1288405), wk = 0.0034014 k( 71) = ( 0.5000000 0.1349758 -0.1349758), wk = 0.0034014 k( 72) = ( 0.5000000 0.1411111 -0.1411111), wk = 0.0034014 k( 73) = ( 0.5000000 0.1472463 -0.1472463), wk = 0.0034014 k( 74) = ( 0.5000000 0.1533816 -0.1533816), wk = 0.0034014 k( 75) = ( 0.5000000 0.1595168 -0.1595168), wk = 0.0034014 k( 76) = ( 0.5000000 0.1656521 -0.1656521), wk = 0.0034014 k( 77) = ( 0.5000000 0.1717874 -0.1717874), wk = 0.0034014 k( 78) = ( 0.8282126 0.5000000 0.1717874), wk = 0.0034014 k( 79) = ( 0.8221346 0.5000000 0.1778654), wk = 0.0034014 k( 80) = ( 0.8160566 0.5000000 0.1839434), wk = 0.0034014 k( 81) = ( 0.8099786 0.5000000 0.1900214), wk = 0.0034014 k( 82) = ( 0.8039006 0.5000000 0.1960994), wk = 0.0034014 k( 83) = ( 0.7978226 0.5000000 0.2021774), wk = 0.0034014 k( 84) = ( 0.7917446 0.5000000 0.2082554), wk = 0.0034014 k( 85) = ( 0.7856665 0.5000000 0.2143335), wk = 0.0034014 k( 86) = ( 0.7795885 0.5000000 0.2204115), wk = 0.0034014 k( 87) = ( 0.7735105 0.5000000 0.2264895), wk = 0.0034014 k( 88) = ( 0.7674325 0.5000000 0.2325675), wk = 0.0034014 k( 89) = ( 0.7613545 0.5000000 0.2386455), wk = 0.0034014 k( 90) = ( 0.7552765 0.5000000 0.2447235), wk = 0.0034014 k( 91) = ( 0.7491985 0.5000000 0.2508015), wk = 0.0034014 k( 92) = ( 0.7431205 0.5000000 0.2568795), wk = 0.0034014 k( 93) = ( 0.7370425 0.5000000 0.2629575), wk = 0.0034014 k( 94) = ( 0.7309644 0.5000000 0.2690356), wk = 0.0034014 k( 95) = ( 0.7248864 0.5000000 0.2751136), wk = 0.0034014 k( 96) = ( 0.7188084 0.5000000 0.2811916), wk = 0.0034014 k( 97) = ( 0.7127304 0.5000000 0.2872696), wk = 0.0034014 k( 98) = ( 0.7066524 0.5000000 0.2933476), wk = 0.0034014 k( 99) = ( 0.7005744 0.5000000 0.2994256), wk = 0.0034014 k( 100) = ( 0.6944964 0.5000000 0.3055036), wk = 0.0034014 k( 101) = ( 0.6884184 0.5000000 0.3115816), wk = 0.0034014 k( 102) = ( 0.6823404 0.5000000 0.3176596), wk = 0.0034014 k( 103) = ( 0.6762623 0.5000000 0.3237377), wk = 0.0034014 k( 104) = ( 0.6701843 0.5000000 0.3298157), wk = 0.0034014 k( 105) = ( 0.6641063 0.5000000 0.3358937), wk = 0.0034014 k( 106) = ( 0.6580283 0.5000000 0.3419717), wk = 0.0034014 k( 107) = ( 0.6519503 0.5000000 0.3480497), wk = 0.0034014 k( 108) = ( 0.6458723 0.5000000 0.3541277), wk = 0.0034014 k( 109) = ( 0.6397943 0.5000000 0.3602057), wk = 0.0034014 k( 110) = ( 0.6337163 0.5000000 0.3662837), wk = 0.0034014 k( 111) = ( 0.6276382 0.5000000 0.3723617), wk = 0.0034014 k( 112) = ( 0.6215602 0.5000000 0.3784398), wk = 0.0034014 k( 113) = ( 0.6154822 0.5000000 0.3845178), wk = 0.0034014 k( 114) = ( 0.6094042 0.5000000 0.3905958), wk = 0.0034014 k( 115) = ( 0.6033262 0.5000000 0.3966738), wk = 0.0034014 k( 116) = ( 0.5972482 0.5000000 0.4027518), wk = 0.0034014 k( 117) = ( 0.5911702 0.5000000 0.4088298), wk = 0.0034014 k( 118) = ( 0.5850922 0.5000000 0.4149078), wk = 0.0034014 k( 119) = ( 0.5790142 0.5000000 0.4209858), wk = 0.0034014 k( 120) = ( 0.5729361 0.5000000 0.4270639), wk = 0.0034014 k( 121) = ( 0.5668581 0.5000000 0.4331419), wk = 0.0034014 k( 122) = ( 0.5607801 0.5000000 0.4392199), wk = 0.0034014 k( 123) = ( 0.5547021 0.5000000 0.4452979), wk = 0.0034014 k( 124) = ( 0.5486241 0.5000000 0.4513759), wk = 0.0034014 k( 125) = ( 0.5425461 0.5000000 0.4574539), wk = 0.0034014 k( 126) = ( 0.5364681 0.5000000 0.4635319), wk = 0.0034014 k( 127) = ( 0.5303901 0.5000000 0.4696099), wk = 0.0034014 k( 128) = ( 0.5243121 0.5000000 0.4756880), wk = 0.0034014 k( 129) = ( 0.5182340 0.5000000 0.4817660), wk = 0.0034014 k( 130) = ( 0.5121560 0.5000000 0.4878440), wk = 0.0034014 k( 131) = ( 0.5060780 0.5000000 0.4939220), wk = 0.0034014 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 134) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034014 k( 135) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034014 k( 136) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034014 k( 137) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034014 k( 138) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034014 k( 139) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034014 k( 140) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034014 k( 141) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034014 k( 142) = ( 0.1538461 0.1538461 0.1538462), wk = 0.0034014 k( 143) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034014 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034014 k( 145) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034014 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 148) = ( 0.0061072 0.0000000 -0.0061072), wk = 0.0034014 k( 149) = ( 0.0122143 0.0000000 -0.0122143), wk = 0.0034014 k( 150) = ( 0.0183215 0.0000000 -0.0183215), wk = 0.0034014 k( 151) = ( 0.0244286 0.0000000 -0.0244286), wk = 0.0034014 k( 152) = ( 0.0305358 0.0000000 -0.0305358), wk = 0.0034014 k( 153) = ( 0.0366430 0.0000000 -0.0366429), wk = 0.0034014 k( 154) = ( 0.0427501 0.0000000 -0.0427501), wk = 0.0034014 k( 155) = ( 0.0488573 0.0000000 -0.0488573), wk = 0.0034014 k( 156) = ( 0.0549644 0.0000000 -0.0549644), wk = 0.0034014 k( 157) = ( 0.0610716 0.0000000 -0.0610716), wk = 0.0034014 k( 158) = ( 0.0671787 0.0000000 -0.0671787), wk = 0.0034014 k( 159) = ( 0.0732859 0.0000000 -0.0732859), wk = 0.0034014 k( 160) = ( 0.0793931 0.0000000 -0.0793930), wk = 0.0034014 k( 161) = ( 0.0855002 0.0000000 -0.0855002), wk = 0.0034014 k( 162) = ( 0.0916074 0.0000000 -0.0916074), wk = 0.0034014 k( 163) = ( 0.0977145 0.0000000 -0.0977145), wk = 0.0034014 k( 164) = ( 0.1038217 0.0000000 -0.1038217), wk = 0.0034014 k( 165) = ( 0.1099288 0.0000000 -0.1099288), wk = 0.0034014 k( 166) = ( 0.1160360 0.0000000 -0.1160360), wk = 0.0034014 k( 167) = ( 0.1221432 0.0000000 -0.1221432), wk = 0.0034014 k( 168) = ( 0.1282503 0.0000000 -0.1282503), wk = 0.0034014 k( 169) = ( 0.1343575 0.0000000 -0.1343575), wk = 0.0034014 k( 170) = ( 0.1404646 0.0000000 -0.1404646), wk = 0.0034014 k( 171) = ( 0.1465718 0.0000000 -0.1465718), wk = 0.0034014 k( 172) = ( 0.1526790 0.0000000 -0.1526790), wk = 0.0034014 k( 173) = ( 0.1587861 0.0000000 -0.1587861), wk = 0.0034014 k( 174) = ( 0.1648933 0.0000000 -0.1648933), wk = 0.0034014 k( 175) = ( 0.1710004 0.0000000 -0.1710004), wk = 0.0034014 k( 176) = ( 0.1771076 0.0000000 -0.1771076), wk = 0.0034014 k( 177) = ( 0.1832147 0.0000000 -0.1832147), wk = 0.0034014 k( 178) = ( 0.1893219 0.0000000 -0.1893219), wk = 0.0034014 k( 179) = ( 0.1954290 0.0000000 -0.1954290), wk = 0.0034014 k( 180) = ( 0.2015362 0.0000000 -0.2015362), wk = 0.0034014 k( 181) = ( 0.2076434 0.0000000 -0.2076434), wk = 0.0034014 k( 182) = ( 0.2137505 0.0000000 -0.2137505), wk = 0.0034014 k( 183) = ( 0.2198577 0.0000000 -0.2198577), wk = 0.0034014 k( 184) = ( 0.2259648 0.0000000 -0.2259648), wk = 0.0034014 k( 185) = ( 0.2320720 0.0000000 -0.2320720), wk = 0.0034014 k( 186) = ( 0.2381792 0.0000000 -0.2381792), wk = 0.0034014 k( 187) = ( 0.2442863 0.0000000 -0.2442863), wk = 0.0034014 k( 188) = ( 0.2503935 0.0000000 -0.2503935), wk = 0.0034014 k( 189) = ( 0.2565006 0.0000000 -0.2565006), wk = 0.0034014 k( 190) = ( 0.2626078 0.0000000 -0.2626078), wk = 0.0034014 k( 191) = ( 0.2687150 0.0000000 -0.2687149), wk = 0.0034014 k( 192) = ( 0.2748221 0.0000000 -0.2748221), wk = 0.0034014 k( 193) = ( 0.2809293 0.0000000 -0.2809293), wk = 0.0034014 k( 194) = ( 0.2870364 0.0000000 -0.2870364), wk = 0.0034014 k( 195) = ( 0.2931436 0.0000000 -0.2931436), wk = 0.0034014 k( 196) = ( 0.2992507 0.0000000 -0.2992507), wk = 0.0034014 k( 197) = ( 0.3053579 0.0000000 -0.3053579), wk = 0.0034014 k( 198) = ( 0.3114651 -0.0000000 -0.3114650), wk = 0.0034014 k( 199) = ( 0.3175722 0.0000000 -0.3175722), wk = 0.0034014 k( 200) = ( 0.3236794 0.0000000 -0.3236794), wk = 0.0034014 k( 201) = ( 0.3297865 0.0000000 -0.3297865), wk = 0.0034014 k( 202) = ( 0.3358937 0.0000000 -0.3358937), wk = 0.0034014 k( 203) = ( 0.6641063 0.3358937 0.0000000), wk = 0.0034014 k( 204) = ( 0.6580283 0.3419717 -0.0000000), wk = 0.0034014 k( 205) = ( 0.6519503 0.3480497 0.0000000), wk = 0.0034014 k( 206) = ( 0.6458723 0.3541277 0.0000000), wk = 0.0034014 k( 207) = ( 0.6397943 0.3602057 0.0000000), wk = 0.0034014 k( 208) = ( 0.6337163 0.3662837 0.0000000), wk = 0.0034014 k( 209) = ( 0.6276382 0.3723617 0.0000000), wk = 0.0034014 k( 210) = ( 0.6215602 0.3784398 0.0000000), wk = 0.0034014 k( 211) = ( 0.6154822 0.3845178 0.0000000), wk = 0.0034014 k( 212) = ( 0.6094042 0.3905958 0.0000000), wk = 0.0034014 k( 213) = ( 0.6033262 0.3966738 -0.0000000), wk = 0.0034014 k( 214) = ( 0.5972482 0.4027518 0.0000000), wk = 0.0034014 k( 215) = ( 0.5911702 0.4088298 0.0000000), wk = 0.0034014 k( 216) = ( 0.5850922 0.4149078 0.0000000), wk = 0.0034014 k( 217) = ( 0.5790142 0.4209859 0.0000000), wk = 0.0034014 k( 218) = ( 0.5729361 0.4270639 -0.0000000), wk = 0.0034014 k( 219) = ( 0.5668581 0.4331419 0.0000000), wk = 0.0034014 k( 220) = ( 0.5607801 0.4392199 0.0000000), wk = 0.0034014 k( 221) = ( 0.5547021 0.4452979 0.0000000), wk = 0.0034014 k( 222) = ( 0.5486241 0.4513759 0.0000000), wk = 0.0034014 k( 223) = ( 0.5425461 0.4574539 0.0000000), wk = 0.0034014 k( 224) = ( 0.5364681 0.4635319 0.0000000), wk = 0.0034014 k( 225) = ( 0.5303901 0.4696099 0.0000000), wk = 0.0034014 k( 226) = ( 0.5243121 0.4756880 0.0000000), wk = 0.0034014 k( 227) = ( 0.5182340 0.4817660 0.0000000), wk = 0.0034014 k( 228) = ( 0.5121560 0.4878440 0.0000000), wk = 0.0034014 k( 229) = ( 0.5060780 0.4939220 0.0000000), wk = 0.0034014 k( 230) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 231) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 232) = ( 0.5328213 0.5328213 0.0343575), wk = 0.0034014 k( 233) = ( 0.5656425 0.5656425 0.0687150), wk = 0.0034014 k( 234) = ( 0.5984638 0.5984638 0.1030724), wk = 0.0034014 k( 235) = ( 0.6312851 0.6312851 0.1374299), wk = 0.0034014 k( 236) = ( 0.6641063 0.6641063 0.1717874), wk = 0.0034014 k( 237) = ( 0.6641063 0.6641063 0.1717874), wk = 0.0034014 k( 238) = ( 0.6606147 0.6606147 0.1787706), wk = 0.0034014 k( 239) = ( 0.6571231 0.6571231 0.1857539), wk = 0.0034014 k( 240) = ( 0.6536315 0.6536315 0.1927371), wk = 0.0034014 k( 241) = ( 0.6501398 0.6501398 0.1997204), wk = 0.0034014 k( 242) = ( 0.6466482 0.6466482 0.2067036), wk = 0.0034014 k( 243) = ( 0.6431566 0.6431566 0.2136868), wk = 0.0034014 k( 244) = ( 0.6396650 0.6396650 0.2206701), wk = 0.0034014 k( 245) = ( 0.6361733 0.6361733 0.2276534), wk = 0.0034014 k( 246) = ( 0.6326817 0.6326817 0.2346366), wk = 0.0034014 k( 247) = ( 0.6291901 0.6291901 0.2416198), wk = 0.0034014 k( 248) = ( 0.6256985 0.6256985 0.2486031), wk = 0.0034014 k( 249) = ( 0.6222068 0.6222068 0.2555863), wk = 0.0034014 k( 250) = ( 0.6187152 0.6187152 0.2625696), wk = 0.0034014 k( 251) = ( 0.6152236 0.6152236 0.2695528), wk = 0.0034014 k( 252) = ( 0.6117320 0.6117320 0.2765361), wk = 0.0034014 k( 253) = ( 0.6082403 0.6082403 0.2835193), wk = 0.0034014 k( 254) = ( 0.6047487 0.6047487 0.2905026), wk = 0.0034014 k( 255) = ( 0.6012571 0.6012571 0.2974858), wk = 0.0034014 k( 256) = ( 0.5977655 0.5977655 0.3044691), wk = 0.0034014 k( 257) = ( 0.5942738 0.5942738 0.3114523), wk = 0.0034014 k( 258) = ( 0.5907822 0.5907822 0.3184356), wk = 0.0034014 k( 259) = ( 0.5872906 0.5872906 0.3254188), wk = 0.0034014 k( 260) = ( 0.5837990 0.5837990 0.3324021), wk = 0.0034014 k( 261) = ( 0.5803073 0.5803074 0.3393853), wk = 0.0034014 k( 262) = ( 0.5768157 0.5768157 0.3463685), wk = 0.0034014 k( 263) = ( 0.5733241 0.5733241 0.3533518), wk = 0.0034014 k( 264) = ( 0.5698325 0.5698325 0.3603350), wk = 0.0034014 k( 265) = ( 0.5663409 0.5663409 0.3673183), wk = 0.0034014 k( 266) = ( 0.5628492 0.5628492 0.3743015), wk = 0.0034014 k( 267) = ( 0.5593576 0.5593576 0.3812848), wk = 0.0034014 k( 268) = ( 0.5558660 0.5558660 0.3882680), wk = 0.0034014 k( 269) = ( 0.5523744 0.5523744 0.3952513), wk = 0.0034014 k( 270) = ( 0.5488827 0.5488827 0.4022345), wk = 0.0034014 k( 271) = ( 0.5453911 0.5453911 0.4092178), wk = 0.0034014 k( 272) = ( 0.5418995 0.5418995 0.4162010), wk = 0.0034014 k( 273) = ( 0.5384079 0.5384079 0.4231843), wk = 0.0034014 k( 274) = ( 0.5349162 0.5349162 0.4301675), wk = 0.0034014 k( 275) = ( 0.5314246 0.5314246 0.4371508), wk = 0.0034014 k( 276) = ( 0.5279330 0.5279330 0.4441340), wk = 0.0034014 k( 277) = ( 0.5244414 0.5244414 0.4511173), wk = 0.0034014 k( 278) = ( 0.5209497 0.5209497 0.4581005), wk = 0.0034014 k( 279) = ( 0.5174581 0.5174581 0.4650838), wk = 0.0034014 k( 280) = ( 0.5139665 0.5139665 0.4720670), wk = 0.0034014 k( 281) = ( 0.5104749 0.5104749 0.4790503), wk = 0.0034014 k( 282) = ( 0.5069832 0.5069832 0.4860335), wk = 0.0034014 k( 283) = ( 0.5034916 0.5034916 0.4930168), wk = 0.0034014 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 285) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 286) = ( 0.5364681 0.0373215 0.0373215), wk = 0.0034014 k( 287) = ( 0.5729361 0.0746430 0.0746430), wk = 0.0034014 k( 288) = ( 0.6094042 0.1119646 0.1119646), wk = 0.0034014 k( 289) = ( 0.6458723 0.1492861 0.1492861), wk = 0.0034014 k( 290) = ( 0.6823404 0.1866076 0.1866076), wk = 0.0034014 k( 291) = ( 0.7188084 0.2239291 0.2239291), wk = 0.0034014 k( 292) = ( 0.7552765 0.2612506 0.2612506), wk = 0.0034014 k( 293) = ( 0.7917446 0.2985722 0.2985722), wk = 0.0034014 k( 294) = ( 0.8282126 0.3358937 0.3358937), wk = 0.0034014 Dense grid: 143857 G-vectors FFT dimensions: ( 160, 160, 160) Smooth grid: 68675 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 368, 48) NL pseudopotentials 0.31 Mb ( 184, 110) Each V/rho on FFT grid 1.56 Mb ( 102400) Each G-vector array 0.02 Mb ( 2997) G-vector shells 0.02 Mb ( 2599) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.08 Mb ( 368, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MgxAlSe2x2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 59.3 secs Computing kpt #: 2 total cpu time spent up to now is 77.6 secs Computing kpt #: 3 total cpu time spent up to now is 96.9 secs Computing kpt #: 4 total cpu time spent up to now is 114.9 secs Computing kpt #: 5 total cpu time spent up to now is 133.3 secs Computing kpt #: 6 total cpu time spent up to now is 153.4 secs Computing kpt #: 7 total cpu time spent up to now is 171.4 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 9 total cpu time spent up to now is 211.4 secs Computing kpt #: 10 total cpu time spent up to now is 227.9 secs Computing kpt #: 11 total cpu time spent up to now is 244.0 secs Computing kpt #: 12 total cpu time spent up to now is 258.7 secs Computing kpt #: 13 total cpu time spent up to now is 273.6 secs Computing kpt #: 14 total cpu time spent up to now is 288.1 secs Computing kpt #: 15 total cpu time spent up to now is 303.0 secs Computing kpt #: 16 total cpu time spent up to now is 317.6 secs Computing kpt #: 17 total cpu time spent up to now is 332.0 secs Computing kpt #: 18 total cpu time spent up to now is 346.8 secs Computing kpt #: 19 total cpu time spent up to now is 361.5 secs Computing kpt #: 20 total cpu time spent up to now is 376.0 secs Computing kpt #: 21 total cpu time spent up to now is 391.5 secs Computing kpt #: 22 total cpu time spent up to now is 407.1 secs Computing kpt #: 23 total cpu time spent up to now is 422.1 secs Computing kpt #: 24 total cpu time spent up to now is 436.9 secs Computing kpt #: 25 total cpu time spent up to now is 451.6 secs Computing kpt #: 26 total cpu time spent up to now is 466.1 secs Computing kpt #: 27 total cpu time spent up to now is 480.3 secs Computing kpt #: 28 total cpu time spent up to now is 493.9 secs Computing kpt #: 29 total cpu time spent up to now is 507.9 secs Computing kpt #: 30 total cpu time spent up to now is 521.5 secs Computing kpt #: 31 total cpu time spent up to now is 535.1 secs Computing kpt #: 32 total cpu time spent up to now is 548.3 secs Computing kpt #: 33 total cpu time spent up to now is 561.6 secs Computing kpt #: 34 total cpu time spent up to now is 574.8 secs Computing kpt #: 35 total cpu time spent up to now is 588.1 secs Computing kpt #: 36 total cpu time spent up to now is 601.5 secs Computing kpt #: 37 total cpu time spent up to now is 614.3 secs Computing kpt #: 38 total cpu time spent up to now is 627.4 secs Computing kpt #: 39 total cpu time spent up to now is 640.5 secs Computing kpt #: 40 total cpu time spent up to now is 652.3 secs Computing kpt #: 41 total cpu time spent up to now is 664.2 secs Computing kpt #: 42 total cpu time spent up to now is 675.9 secs Computing kpt #: 43 total cpu time spent up to now is 687.5 secs Computing kpt #: 44 total cpu time spent up to now is 700.3 secs Computing kpt #: 45 total cpu time spent up to now is 713.4 secs Computing kpt #: 46 total cpu time spent up to now is 725.1 secs Computing kpt #: 47 total cpu time spent up to now is 736.7 secs Computing kpt #: 48 total cpu time spent up to now is 749.6 secs Computing kpt #: 49 total cpu time spent up to now is 762.2 secs Computing kpt #: 50 total cpu time spent up to now is 774.9 secs Computing kpt #: 51 total cpu time spent up to now is 786.4 secs Computing kpt #: 52 total cpu time spent up to now is 798.2 secs Computing kpt #: 53 total cpu time spent up to now is 811.2 secs Computing kpt #: 54 total cpu time spent up to now is 824.1 secs Computing kpt #: 55 total cpu time spent up to now is 837.0 secs Computing kpt #: 56 total cpu time spent up to now is 849.9 secs Computing kpt #: 57 total cpu time spent up to now is 862.9 secs Computing kpt #: 58 total cpu time spent up to now is 876.0 secs Computing kpt #: 59 total cpu time spent up to now is 889.1 secs Computing kpt #: 60 total cpu time spent up to now is 902.2 secs Computing kpt #: 61 total cpu time spent up to now is 915.3 secs Computing kpt #: 62 total cpu time spent up to now is 928.2 secs Computing kpt #: 63 total cpu time spent up to now is 941.4 secs Computing kpt #: 64 total cpu time spent up to now is 954.6 secs Computing kpt #: 65 total cpu time spent up to now is 967.9 secs Computing kpt #: 66 total cpu time spent up to now is 981.5 secs Computing kpt #: 67 total cpu time spent up to now is 996.1 secs Computing kpt #: 68 total cpu time spent up to now is 1009.8 secs Computing kpt #: 69 total cpu time spent up to now is 1023.8 secs Computing kpt #: 70 total cpu time spent up to now is 1039.2 secs Computing kpt #: 71 total cpu time spent up to now is 1055.1 secs Computing kpt #: 72 total cpu time spent up to now is 1070.6 secs Computing kpt #: 73 total cpu time spent up to now is 1086.1 secs Computing kpt #: 74 total cpu time spent up to now is 1101.7 secs Computing kpt #: 75 total cpu time spent up to now is 1115.5 secs Computing kpt #: 76 total cpu time spent up to now is 1129.5 secs Computing kpt #: 77 total cpu time spent up to now is 1143.3 secs Computing kpt #: 78 total cpu time spent up to now is 1157.0 secs Computing kpt #: 79 total cpu time spent up to now is 1170.6 secs Computing kpt #: 80 total cpu time spent up to now is 1184.4 secs Computing kpt #: 81 total cpu time spent up to now is 1197.9 secs Computing kpt #: 82 total cpu time spent up to now is 1211.6 secs Computing kpt #: 83 total cpu time spent up to now is 1225.3 secs Computing kpt #: 84 total cpu time spent up to now is 1239.0 secs Computing kpt #: 85 total cpu time spent up to now is 1252.7 secs Computing kpt #: 86 total cpu time spent up to now is 1266.3 secs Computing kpt #: 87 total cpu time spent up to now is 1280.5 secs Computing kpt #: 88 total cpu time spent up to now is 1296.3 secs Computing kpt #: 89 total cpu time spent up to now is 1310.8 secs Computing kpt #: 90 total cpu time spent up to now is 1324.8 secs Computing kpt #: 91 total cpu time spent up to now is 1339.1 secs Computing kpt #: 92 total cpu time spent up to now is 1353.7 secs Computing kpt #: 93 total cpu time spent up to now is 1368.3 secs Computing kpt #: 94 total cpu time spent up to now is 1382.9 secs Computing kpt #: 95 total cpu time spent up to now is 1398.0 secs Computing kpt #: 96 total cpu time spent up to now is 1412.9 secs Computing kpt #: 97 total cpu time spent up to now is 1427.6 secs Computing kpt #: 98 total cpu time spent up to now is 1442.5 secs Computing kpt #: 99 total cpu time spent up to now is 1457.3 secs Computing kpt #: 100 total cpu time spent up to now is 1472.4 secs Computing kpt #: 101 total cpu time spent up to now is 1487.1 secs Computing kpt #: 102 total cpu time spent up to now is 1502.2 secs Computing kpt #: 103 total cpu time spent up to now is 1518.4 secs Computing kpt #: 104 total cpu time spent up to now is 1534.5 secs Computing kpt #: 105 total cpu time spent up to now is 1549.4 secs Computing kpt #: 106 total cpu time spent up to now is 1564.7 secs Computing kpt #: 107 total cpu time spent up to now is 1579.5 secs Computing kpt #: 108 total cpu time spent up to now is 1596.5 secs Computing kpt #: 109 total cpu time spent up to now is 1611.3 secs Computing kpt #: 110 total cpu time spent up to now is 1626.0 secs Computing kpt #: 111 total cpu time spent up to now is 1640.7 secs Computing kpt #: 112 total cpu time spent up to now is 1655.5 secs Computing kpt #: 113 total cpu time spent up to now is 1670.1 secs Computing kpt #: 114 total cpu time spent up to now is 1684.6 secs Computing kpt #: 115 total cpu time spent up to now is 1699.5 secs Computing kpt #: 116 total cpu time spent up to now is 1715.2 secs Computing kpt #: 117 total cpu time spent up to now is 1730.9 secs Computing kpt #: 118 total cpu time spent up to now is 1746.9 secs Computing kpt #: 119 total cpu time spent up to now is 1762.9 secs Computing kpt #: 120 total cpu time spent up to now is 1778.9 secs Computing kpt #: 121 total cpu time spent up to now is 1795.0 secs Computing kpt #: 122 total cpu time spent up to now is 1812.6 secs Computing kpt #: 123 total cpu time spent up to now is 1830.8 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1853.5 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1876.4 secs Computing kpt #: 126 total cpu time spent up to now is 1897.1 secs Computing kpt #: 127 total cpu time spent up to now is 1914.8 secs Computing kpt #: 128 total cpu time spent up to now is 1932.4 secs Computing kpt #: 129 total cpu time spent up to now is 1948.7 secs Computing kpt #: 130 total cpu time spent up to now is 1965.0 secs Computing kpt #: 131 total cpu time spent up to now is 1981.2 secs Computing kpt #: 132 total cpu time spent up to now is 1997.2 secs Computing kpt #: 133 total cpu time spent up to now is 2013.2 secs Computing kpt #: 134 total cpu time spent up to now is 2029.5 secs Computing kpt #: 135 total cpu time spent up to now is 2046.1 secs Computing kpt #: 136 total cpu time spent up to now is 2062.4 secs Computing kpt #: 137 total cpu time spent up to now is 2078.8 secs Computing kpt #: 138 total cpu time spent up to now is 2096.8 secs Computing kpt #: 139 total cpu time spent up to now is 2113.1 secs Computing kpt #: 140 total cpu time spent up to now is 2129.4 secs Computing kpt #: 141 total cpu time spent up to now is 2145.7 secs Computing kpt #: 142 total cpu time spent up to now is 2161.8 secs Computing kpt #: 143 total cpu time spent up to now is 2179.5 secs Computing kpt #: 144 total cpu time spent up to now is 2199.8 secs Computing kpt #: 145 total cpu time spent up to now is 2218.2 secs Computing kpt #: 146 total cpu time spent up to now is 2236.1 secs Computing kpt #: 147 total cpu time spent up to now is 2254.1 secs Computing kpt #: 148 total cpu time spent up to now is 2272.1 secs Computing kpt #: 149 total cpu time spent up to now is 2289.8 secs Computing kpt #: 150 total cpu time spent up to now is 2309.3 secs Computing kpt #: 151 total cpu time spent up to now is 2327.3 secs Computing kpt #: 152 total cpu time spent up to now is 2345.2 secs Computing kpt #: 153 total cpu time spent up to now is 2365.3 secs Computing kpt #: 154 total cpu time spent up to now is 2385.6 secs Computing kpt #: 155 total cpu time spent up to now is 2403.9 secs Computing kpt #: 156 total cpu time spent up to now is 2419.9 secs Computing kpt #: 157 total cpu time spent up to now is 2435.9 secs Computing kpt #: 158 total cpu time spent up to now is 2451.8 secs Computing kpt #: 159 total cpu time spent up to now is 2467.8 secs Computing kpt #: 160 total cpu time spent up to now is 2481.9 secs Computing kpt #: 161 total cpu time spent up to now is 2497.5 secs Computing kpt #: 162 total cpu time spent up to now is 2511.7 secs Computing kpt #: 163 total cpu time spent up to now is 2525.9 secs Computing kpt #: 164 total cpu time spent up to now is 2540.5 secs Computing kpt #: 165 total cpu time spent up to now is 2555.0 secs Computing kpt #: 166 total cpu time spent up to now is 2569.7 secs Computing kpt #: 167 total cpu time spent up to now is 2584.3 secs Computing kpt #: 168 total cpu time spent up to now is 2598.9 secs Computing kpt #: 169 total cpu time spent up to now is 2613.1 secs Computing kpt #: 170 total cpu time spent up to now is 2626.7 secs Computing kpt #: 171 total cpu time spent up to now is 2640.7 secs Computing kpt #: 172 total cpu time spent up to now is 2654.7 secs Computing kpt #: 173 total cpu time spent up to now is 2668.5 secs Computing kpt #: 174 total cpu time spent up to now is 2682.3 secs Computing kpt #: 175 total cpu time spent up to now is 2696.9 secs Computing kpt #: 176 total cpu time spent up to now is 2711.6 secs Computing kpt #: 177 total cpu time spent up to now is 2726.4 secs Computing kpt #: 178 total cpu time spent up to now is 2741.4 secs Computing kpt #: 179 total cpu time spent up to now is 2755.6 secs Computing kpt #: 180 total cpu time spent up to now is 2771.7 secs Computing kpt #: 181 total cpu time spent up to now is 2794.0 secs Computing kpt #: 182 total cpu time spent up to now is 2811.2 secs Computing kpt #: 183 total cpu time spent up to now is 2827.9 secs Computing kpt #: 184 total cpu time spent up to now is 2844.4 secs Computing kpt #: 185 total cpu time spent up to now is 2860.7 secs Computing kpt #: 186 total cpu time spent up to now is 2876.8 secs Computing kpt #: 187 total cpu time spent up to now is 2891.3 secs Computing kpt #: 188 total cpu time spent up to now is 2906.0 secs Computing kpt #: 189 total cpu time spent up to now is 2920.3 secs Computing kpt #: 190 total cpu time spent up to now is 2934.2 secs Computing kpt #: 191 total cpu time spent up to now is 2948.2 secs Computing kpt #: 192 total cpu time spent up to now is 2962.3 secs Computing kpt #: 193 total cpu time spent up to now is 2976.4 secs Computing kpt #: 194 total cpu time spent up to now is 2990.6 secs Computing kpt #: 195 total cpu time spent up to now is 3004.7 secs Computing kpt #: 196 total cpu time spent up to now is 3018.9 secs Computing kpt #: 197 total cpu time spent up to now is 3033.1 secs Computing kpt #: 198 total cpu time spent up to now is 3047.4 secs Computing kpt #: 199 total cpu time spent up to now is 3061.6 secs Computing kpt #: 200 total cpu time spent up to now is 3075.6 secs Computing kpt #: 201 total cpu time spent up to now is 3090.3 secs Computing kpt #: 202 total cpu time spent up to now is 3103.8 secs Computing kpt #: 203 total cpu time spent up to now is 3117.3 secs Computing kpt #: 204 total cpu time spent up to now is 3131.0 secs Computing kpt #: 205 total cpu time spent up to now is 3144.3 secs Computing kpt #: 206 total cpu time spent up to now is 3157.7 secs Computing kpt #: 207 total cpu time spent up to now is 3171.4 secs Computing kpt #: 208 total cpu time spent up to now is 3184.9 secs Computing kpt #: 209 total cpu time spent up to now is 3198.8 secs Computing kpt #: 210 total cpu time spent up to now is 3212.2 secs Computing kpt #: 211 total cpu time spent up to now is 3225.7 secs Computing kpt #: 212 total cpu time spent up to now is 3239.0 secs Computing kpt #: 213 total cpu time spent up to now is 3252.2 secs Computing kpt #: 214 total cpu time spent up to now is 3265.5 secs Computing kpt #: 215 total cpu time spent up to now is 3278.6 secs Computing kpt #: 216 total cpu time spent up to now is 3291.7 secs Computing kpt #: 217 total cpu time spent up to now is 3304.9 secs Computing kpt #: 218 total cpu time spent up to now is 3318.0 secs Computing kpt #: 219 total cpu time spent up to now is 3331.0 secs Computing kpt #: 220 total cpu time spent up to now is 3344.1 secs Computing kpt #: 221 total cpu time spent up to now is 3357.2 secs Computing kpt #: 222 total cpu time spent up to now is 3370.2 secs Computing kpt #: 223 total cpu time spent up to now is 3383.1 secs Computing kpt #: 224 total cpu time spent up to now is 3398.8 secs Computing kpt #: 225 total cpu time spent up to now is 3411.6 secs Computing kpt #: 226 total cpu time spent up to now is 3424.4 secs Computing kpt #: 227 total cpu time spent up to now is 3437.3 secs Computing kpt #: 228 total cpu time spent up to now is 3450.1 secs Computing kpt #: 229 total cpu time spent up to now is 3462.9 secs Computing kpt #: 230 total cpu time spent up to now is 3475.6 secs Computing kpt #: 231 total cpu time spent up to now is 3488.3 secs Computing kpt #: 232 total cpu time spent up to now is 3501.5 secs Computing kpt #: 233 total cpu time spent up to now is 3514.4 secs Computing kpt #: 234 total cpu time spent up to now is 3527.5 secs Computing kpt #: 235 total cpu time spent up to now is 3540.6 secs Computing kpt #: 236 total cpu time spent up to now is 3553.6 secs Computing kpt #: 237 total cpu time spent up to now is 3566.5 secs Computing kpt #: 238 total cpu time spent up to now is 3579.4 secs Computing kpt #: 239 total cpu time spent up to now is 3592.5 secs Computing kpt #: 240 total cpu time spent up to now is 3605.5 secs Computing kpt #: 241 total cpu time spent up to now is 3618.6 secs Computing kpt #: 242 total cpu time spent up to now is 3631.6 secs Computing kpt #: 243 total cpu time spent up to now is 3644.6 secs Computing kpt #: 244 total cpu time spent up to now is 3657.7 secs Computing kpt #: 245 total cpu time spent up to now is 3670.9 secs Computing kpt #: 246 total cpu time spent up to now is 3683.9 secs Computing kpt #: 247 total cpu time spent up to now is 3698.2 secs Computing kpt #: 248 total cpu time spent up to now is 3711.3 secs Computing kpt #: 249 total cpu time spent up to now is 3724.6 secs Computing kpt #: 250 total cpu time spent up to now is 3737.7 secs Computing kpt #: 251 total cpu time spent up to now is 3751.0 secs Computing kpt #: 252 total cpu time spent up to now is 3764.2 secs Computing kpt #: 253 total cpu time spent up to now is 3777.5 secs Computing kpt #: 254 total cpu time spent up to now is 3790.8 secs Computing kpt #: 255 total cpu time spent up to now is 3804.5 secs Computing kpt #: 256 total cpu time spent up to now is 3818.2 secs Computing kpt #: 257 total cpu time spent up to now is 3831.7 secs Computing kpt #: 258 total cpu time spent up to now is 3845.4 secs Computing kpt #: 259 total cpu time spent up to now is 3859.2 secs Computing kpt #: 260 total cpu time spent up to now is 3873.1 secs Computing kpt #: 261 total cpu time spent up to now is 3888.6 secs Computing kpt #: 262 total cpu time spent up to now is 3904.2 secs Computing kpt #: 263 total cpu time spent up to now is 3919.8 secs Computing kpt #: 264 total cpu time spent up to now is 3935.8 secs Computing kpt #: 265 total cpu time spent up to now is 3952.0 secs Computing kpt #: 266 total cpu time spent up to now is 3968.1 secs Computing kpt #: 267 total cpu time spent up to now is 3984.6 secs Computing kpt #: 268 total cpu time spent up to now is 4001.7 secs Computing kpt #: 269 total cpu time spent up to now is 4016.8 secs Computing kpt #: 270 total cpu time spent up to now is 4032.7 secs Computing kpt #: 271 total cpu time spent up to now is 4049.0 secs Computing kpt #: 272 total cpu time spent up to now is 4065.4 secs Computing kpt #: 273 total cpu time spent up to now is 4081.7 secs Computing kpt #: 274 total cpu time spent up to now is 4098.1 secs Computing kpt #: 275 total cpu time spent up to now is 4116.2 secs Computing kpt #: 276 total cpu time spent up to now is 4133.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4156.5 secs Computing kpt #: 278 total cpu time spent up to now is 4176.4 secs Computing kpt #: 279 total cpu time spent up to now is 4194.3 secs Computing kpt #: 280 total cpu time spent up to now is 4211.9 secs Computing kpt #: 281 total cpu time spent up to now is 4228.2 secs Computing kpt #: 282 total cpu time spent up to now is 4244.3 secs Computing kpt #: 283 total cpu time spent up to now is 4262.0 secs Computing kpt #: 284 total cpu time spent up to now is 4279.6 secs Computing kpt #: 285 total cpu time spent up to now is 4294.3 secs Computing kpt #: 286 total cpu time spent up to now is 4307.4 secs Computing kpt #: 287 total cpu time spent up to now is 4320.2 secs Computing kpt #: 288 total cpu time spent up to now is 4333.1 secs Computing kpt #: 289 total cpu time spent up to now is 4346.1 secs Computing kpt #: 290 total cpu time spent up to now is 4359.1 secs Computing kpt #: 291 total cpu time spent up to now is 4372.0 secs Computing kpt #: 292 total cpu time spent up to now is 4384.9 secs Computing kpt #: 293 total cpu time spent up to now is 4398.1 secs Computing kpt #: 294 total cpu time spent up to now is 4411.0 secs ethr = 2.50E-11, avg # of iterations = 39.2 total cpu time spent up to now is 4411.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3438 -9.3438 -8.9763 -8.9763 -7.5806 -7.5806 -6.6183 -6.6183 -0.5849 -0.5849 0.7432 0.7432 1.7827 1.7827 2.2916 2.2916 2.5323 2.5323 2.6845 2.6845 2.9376 2.9376 4.1448 4.1448 4.6675 4.6675 4.9234 4.9234 5.2475 5.2475 5.5023 5.5023 6.0278 6.0278 6.5886 6.5886 8.9484 8.9484 8.9842 8.9842 k = 0.0106-0.0344-0.0201 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3430 -9.3430 -8.9756 -8.9755 -7.5798 -7.5798 -6.6179 -6.6179 -0.5841 -0.5840 0.7416 0.7432 1.7798 1.7849 2.2860 2.2897 2.5279 2.5280 2.6769 2.6837 2.9327 2.9328 4.1433 4.1442 4.6639 4.6647 4.9190 4.9190 5.2443 5.2460 5.4985 5.4986 6.0367 6.0385 6.5948 6.5982 8.9472 8.9485 8.9843 8.9844 k = 0.0213-0.0687-0.0403 ( 8547 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3407 -9.3406 -8.9733 -8.9732 -7.5777 -7.5776 -6.6168 -6.6168 -0.5816 -0.5814 0.7384 0.7417 1.7761 1.7866 2.2729 2.2802 2.5151 2.5154 2.6604 2.6745 2.9187 2.9194 4.1398 4.1415 4.6536 4.6554 4.9063 4.9064 5.2361 5.2394 5.4880 5.4882 6.0645 6.0684 6.6164 6.6233 8.9414 8.9442 8.9881 8.9886 k = 0.0319-0.1031-0.0604 ( 8552 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3367 -9.3366 -8.9695 -8.9694 -7.5740 -7.5740 -6.6150 -6.6150 -0.5774 -0.5771 0.7335 0.7385 1.7711 1.7876 2.2521 2.2624 2.4950 2.4962 2.6342 2.6562 2.8969 2.8992 4.1341 4.1368 4.6365 4.6391 4.8861 4.8863 5.2220 5.2268 5.4726 5.4732 6.1093 6.1154 6.6528 6.6630 8.9271 8.9307 9.0009 9.0016 k = 0.0426-0.1375-0.0806 ( 8550 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3312 -9.3311 -8.9642 -8.9640 -7.5689 -7.5688 -6.6124 -6.6124 -0.5716 -0.5711 0.7266 0.7334 1.7639 1.7877 2.2235 2.2357 2.4696 2.4720 2.5975 2.6277 2.8700 2.8744 4.1263 4.1298 4.6119 4.6155 4.8596 4.8602 5.2009 5.2069 5.4551 5.4561 6.1686 6.1773 6.7025 6.7161 8.9050 8.9091 9.0225 9.0231 k = 0.0532-0.1719-0.1007 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3242 -9.3240 -8.9574 -8.9572 -7.5624 -7.5623 -6.6091 -6.6091 -0.5642 -0.5635 0.7176 0.7262 1.7536 1.7863 2.1877 2.1997 2.4410 2.4446 2.5504 2.5883 2.8404 2.8474 4.1160 4.1206 4.5792 4.5839 4.8287 4.8297 5.1719 5.1786 5.4377 5.4391 6.2400 6.2515 6.7639 6.7808 8.8774 8.8816 9.0516 9.0520 k = 0.0638-0.2062-0.1209 ( 8551 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3156 -9.3154 -8.9491 -8.9489 -7.5544 -7.5543 -6.6052 -6.6051 -0.5553 -0.5544 0.7061 0.7165 1.7383 1.7825 2.1466 2.1547 2.4104 2.4151 2.4940 2.5384 2.8104 2.8195 4.1032 4.1087 4.5381 4.5441 4.7951 4.7965 5.1342 5.1413 5.4220 5.4236 6.3212 6.3354 6.8350 6.8550 8.8462 8.8501 9.0873 9.0876 k = 0.0745-0.2406-0.1410 ( 8559 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.3055 -9.3053 -8.9393 -8.9391 -7.5450 -7.5449 -6.6005 -6.6005 -0.5449 -0.5439 0.6916 0.7039 1.7158 1.7745 2.1027 2.1030 2.3768 2.3833 2.4325 2.4801 2.7808 2.7914 4.0872 4.0941 4.4888 4.4961 4.7600 4.7620 5.0884 5.0955 5.4084 5.4100 6.4098 6.4267 6.9135 6.9364 8.8130 8.8166 9.1221 9.1258 k = 0.0851-0.2750-0.1612 ( 8569 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1653 -36.1653 -36.1510 -36.1510 -9.2939 -9.2936 -8.9281 -8.9278 -7.5343 -7.5342 -6.5952 -6.5952 -0.5333 -0.5320 0.6737 0.6879 1.6834 1.7596 2.0470 2.0607 2.3320 2.3467 2.3770 2.4188 2.7518 2.7631 4.0675 4.0760 4.4321 4.4411 4.7244 4.7268 5.0354 5.0423 5.3966 5.3980 6.5034 6.5230 6.9967 7.0223 8.7801 8.7829 9.0888 9.0923 k = 0.0957-0.3093-0.1813 ( 8566 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2809 -9.2806 -8.9155 -8.9151 -7.5222 -7.5220 -6.5893 -6.5892 -0.5204 -0.5188 0.6517 0.6678 1.6393 1.7337 1.9922 2.0226 2.2687 2.2983 2.3382 2.3645 2.7229 2.7345 4.0432 4.0538 4.3698 4.3810 4.6883 4.6913 4.9765 4.9831 5.3860 5.3873 6.5997 6.6216 7.0818 7.1097 8.7497 8.7513 9.0540 9.0563 k = 0.1064-0.3437-0.2015 ( 8571 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2664 -9.2660 -8.9015 -8.9011 -7.5087 -7.5086 -6.5828 -6.5827 -0.5065 -0.5046 0.6250 0.6428 1.5831 1.6926 1.9426 1.9892 2.2004 2.2359 2.3063 2.3229 2.6938 2.7052 4.0129 4.0260 4.3045 4.3185 4.6516 4.6552 4.9132 4.9194 5.3760 5.3771 6.6962 6.7201 7.1655 7.1954 8.7243 8.7243 9.0215 9.0220 k = 0.1170-0.3781-0.2216 ( 8569 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2505 -9.2501 -8.8861 -8.8857 -7.4940 -7.4938 -6.5757 -6.5757 -0.4919 -0.4896 0.5929 0.6122 1.5166 1.6346 1.8983 1.9580 2.1372 2.1703 2.2761 2.2880 2.6642 2.6753 3.9746 3.9906 4.2397 4.2568 4.6136 4.6181 4.8470 4.8527 5.3662 5.3671 6.7901 6.8158 7.2443 7.2757 8.7043 8.7068 8.9916 8.9936 k = 0.1277-0.4124-0.2418 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2332 -9.2328 -8.8694 -8.8690 -7.4780 -7.4778 -6.5681 -6.5681 -0.4769 -0.4741 0.5548 0.5750 1.4426 1.5625 1.8550 1.9233 2.0851 2.1119 2.2462 2.2552 2.6339 2.6445 3.9265 3.9451 4.1792 4.1991 4.5736 4.5793 4.7796 4.7845 5.3561 5.3568 6.8787 6.9058 7.3146 7.3471 8.6938 8.6997 8.9672 8.9729 k = 0.1383-0.4468-0.2619 ( 8578 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2146 -9.2142 -8.8515 -8.8511 -7.4607 -7.4605 -6.5601 -6.5600 -0.4617 -0.4583 0.5102 0.5306 1.3639 1.4806 1.8085 1.8798 2.0467 2.0679 2.2164 2.2232 2.6029 2.6131 3.8679 3.8881 4.1257 4.1475 4.5305 4.5378 4.7129 4.7167 5.3456 5.3461 6.9591 6.9871 7.3730 7.4060 8.6945 8.7051 8.9512 8.9620 k = 0.1489-0.4812-0.2820 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1656 -36.1656 -36.1510 -36.1510 -9.1948 -9.1943 -8.8324 -8.8319 -7.4423 -7.4421 -6.5516 -6.5515 -0.4470 -0.4427 0.4588 0.4785 1.2826 1.3925 1.7589 1.8273 2.0205 2.0389 2.1869 2.1916 2.5711 2.5809 3.7997 3.8202 4.0797 4.1022 4.4829 4.4923 4.6490 4.6514 5.3344 5.3348 7.0284 7.0568 7.4173 7.4500 8.7065 8.7232 8.9463 8.9637 k = 0.1596-0.5156-0.3022 ( 8579 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1656 -36.1656 -36.1510 -36.1510 -9.1737 -9.1732 -8.8121 -8.8116 -7.4228 -7.4226 -6.5428 -6.5427 -0.4333 -0.4280 0.4007 0.4186 1.2004 1.3011 1.7093 1.7710 2.0020 2.0198 2.1580 2.1605 2.5388 2.5480 3.7247 3.7446 4.0392 4.0617 4.4294 4.4413 4.5899 4.5907 5.3225 5.3228 7.0841 7.1123 7.4465 7.4783 8.7278 8.7517 8.9553 8.9802 k = 0.1702-0.5499-0.3223 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1515 -9.1510 -8.7907 -8.7901 -7.4022 -7.4020 -6.5336 -6.5335 -0.4215 -0.4148 0.3363 0.3510 1.1187 1.2085 1.6624 1.7160 1.9871 2.0053 2.1301 2.1301 2.5059 2.5147 3.6455 3.6647 4.0019 4.0242 4.3697 4.3839 4.5361 4.5368 5.3099 5.3101 7.1243 7.1515 7.4617 7.4916 8.7552 8.7858 8.9802 9.0122 k = 0.1809-0.5843-0.3425 ( 8570 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1282 -9.1276 -8.7682 -8.7676 -7.3806 -7.3803 -6.5242 -6.5241 -0.4126 -0.4041 0.2664 0.2766 1.0386 1.1166 1.6201 1.6652 1.9725 1.9916 2.1012 2.1037 2.4726 2.4809 3.5648 3.5832 3.9660 3.9882 4.3048 4.3210 4.4876 4.4892 5.2965 5.2966 7.1483 7.1735 7.4647 7.4919 8.7850 8.8201 9.0204 9.0569 k = 0.1915-0.6187-0.3626 ( 8578 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1658 -36.1658 -36.1511 -36.1511 -9.1038 -9.1033 -8.7448 -8.7442 -7.3580 -7.3577 -6.5146 -6.5144 -0.4082 -0.3971 0.1922 0.1965 0.9614 1.0275 1.5829 1.6201 1.9559 1.9758 2.0743 2.0794 2.4390 2.4469 3.4845 3.5023 3.9303 3.9525 4.2368 4.2546 4.4437 4.4457 5.2824 5.2825 7.1565 7.1790 7.4578 7.4815 8.8142 8.8510 9.0698 9.1078 k = 0.2021-0.6530-0.3828 ( 8573 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0785 -9.0779 -8.7205 -8.7198 -7.3345 -7.3342 -6.5048 -6.5047 -0.4099 -0.3954 0.1123 0.1152 0.8885 0.9432 1.5508 1.5809 1.9361 1.9565 2.0498 2.0571 2.4052 2.4127 3.4066 3.4237 3.8941 3.9165 4.1677 4.1868 4.4030 4.4052 5.2676 5.2677 7.1504 7.1697 7.4428 7.4627 8.8401 8.8769 9.1178 9.1555 k = 0.2128-0.6874-0.4029 ( 8564 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0524 -9.0517 -8.6953 -8.6947 -7.3102 -7.3099 -6.4950 -6.4948 -0.4199 -0.4009 0.0255 0.0369 0.8217 0.8657 1.5232 1.5473 1.9128 1.9331 2.0270 2.0359 2.3714 2.3784 3.3323 3.3488 3.8569 3.8793 4.0990 4.1192 4.3645 4.3668 5.2523 5.2523 7.1322 7.1483 7.4211 7.4373 8.8598 8.8959 9.1526 9.1894 k = 0.2234-0.7218-0.4231 ( 8574 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1660 -36.1660 -36.1511 -36.1511 -9.0254 -9.0248 -8.6694 -8.6688 -7.2851 -7.2848 -6.4851 -6.4849 -0.4405 -0.4159 -0.0617 -0.0409 0.7628 0.7974 1.4996 1.5187 1.8865 1.9063 2.0044 2.0143 2.3376 2.3441 3.2629 3.2789 3.8181 3.8405 4.0321 4.0532 4.3276 4.3299 5.2364 5.2364 7.1047 7.1177 7.3938 7.4065 8.8702 8.9060 9.1651 9.2015 k = 0.2340-0.7562-0.4432 ( 8578 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1661 -36.1661 -36.1511 -36.1511 -8.9977 -8.9971 -8.6429 -8.6423 -7.2593 -7.2590 -6.4753 -6.4751 -0.4738 -0.4430 -0.1473 -0.1169 0.7138 0.7403 1.4792 1.4942 1.8582 1.8773 1.9803 1.9911 2.3040 2.3100 3.1995 3.2148 3.7776 3.7991 3.9686 3.9898 4.2920 4.2942 5.2200 5.2201 7.0701 7.0805 7.3619 7.3716 8.8691 8.9050 9.1527 9.1897 k = 0.2447-0.7905-0.4634 ( 8576 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1661 -36.1661 -36.1511 -36.1511 -8.9695 -8.9688 -8.6159 -8.6152 -7.2330 -7.2327 -6.4656 -6.4655 -0.5205 -0.4843 -0.2293 -0.1907 0.6762 0.6960 1.4614 1.4731 1.8285 1.8470 1.9533 1.9648 2.2707 2.2762 3.1429 3.1574 3.7347 3.7546 3.9095 3.9299 4.2575 4.2596 5.2034 5.2036 7.0306 7.0387 7.3263 7.3335 8.8554 8.8918 9.1189 9.1572 k = 0.2553-0.8249-0.4835 ( 8576 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9407 -8.9400 -8.5884 -8.5877 -7.2062 -7.2058 -6.4562 -6.4560 -0.5796 -0.5403 -0.3066 -0.2628 0.6507 0.6654 1.4455 1.4546 1.7980 1.8160 1.9226 1.9348 2.2378 2.2427 3.0936 3.1071 3.6895 3.7062 3.8560 3.8743 4.2240 4.2261 5.1866 5.1867 6.9879 6.9941 7.2878 7.2929 8.8290 8.8663 9.0695 9.1095 k = 0.2660-0.8593-0.5037 ( 8585 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1663 -36.1663 -36.1511 -36.1511 -8.9116 -8.9109 -8.5605 -8.5598 -7.1789 -7.1785 -6.4470 -6.4468 -0.6486 -0.6092 -0.3801 -0.3348 0.6375 0.6482 1.4310 1.4380 1.7670 1.7846 1.8879 1.9008 2.2054 2.2098 3.0518 3.0640 3.6416 3.6542 3.8084 3.8235 4.1916 4.1935 5.1696 5.1698 6.9433 6.9479 7.2474 7.2508 8.7910 8.8293 9.0100 9.0515 k = 0.2766-0.8936-0.5238 ( 8592 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1663 -36.1663 -36.1511 -36.1511 -8.8822 -8.8815 -8.5325 -8.5317 -7.1513 -7.1510 -6.4381 -6.4379 -0.7246 -0.6872 -0.4517 -0.4078 0.6357 0.6437 1.4175 1.4229 1.7355 1.7530 1.8493 1.8630 2.1736 2.1777 3.0171 3.0279 3.5916 3.5993 3.7661 3.7775 4.1601 4.1620 5.1527 5.1529 6.8978 6.9012 7.2056 7.2076 8.7435 8.7824 8.9442 8.9868 k = 0.2872-0.9280-0.5440 ( 8599 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1664 -36.1664 -36.1511 -36.1511 -8.8527 -8.8520 -8.5043 -8.5036 -7.1235 -7.1231 -6.4297 -6.4295 -0.8048 -0.7704 -0.5233 -0.4823 0.6441 0.6502 1.4045 1.4087 1.7037 1.7211 1.8078 1.8220 2.1427 2.1464 2.9891 2.9982 3.5399 3.5429 3.7284 3.7363 4.1297 4.1316 5.1358 5.1360 6.8523 6.8546 7.1632 7.1639 8.6886 8.7274 8.8749 8.9178 k = 0.2979-0.9624-0.5641 ( 8609 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1511 -36.1511 -8.8232 -8.8225 -8.4762 -8.4755 -7.0956 -7.0952 -6.4217 -6.4215 -0.8869 -0.8560 -0.5955 -0.5581 0.6612 0.6659 1.3917 1.3951 1.6711 1.6883 1.7646 1.7792 2.1128 2.1161 2.9667 2.9740 3.4859 3.4873 3.6946 3.6994 4.1004 4.1022 5.1191 5.1194 6.8074 6.8088 7.1203 7.1205 8.6283 8.6666 8.8036 8.8461 k = 0.3085-0.9967-0.5842 ( 8602 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1511 -36.1511 -8.7938 -8.7931 -8.4482 -8.4475 -7.0677 -7.0673 -6.4143 -6.4141 -0.9694 -0.9418 -0.6684 -0.6346 0.6853 0.6892 1.3788 1.3818 1.6372 1.6534 1.7220 1.7363 2.0839 2.0870 2.9490 2.9542 3.4295 3.4348 3.6641 3.6666 4.0723 4.0740 5.1027 5.1030 6.7635 6.7642 7.0771 7.0781 8.5646 8.6018 8.7317 8.7731 k = 0.3191-1.0311-0.6044 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1666 -36.1666 -36.1511 -36.1511 -8.7646 -8.7640 -8.4206 -8.4199 -7.0400 -7.0395 -6.4075 -6.4072 -1.0512 -1.0266 -0.7412 -0.7110 0.7152 0.7186 1.3657 1.3687 1.6012 1.6149 1.6827 1.6952 2.0561 2.0591 2.9344 2.9374 3.3745 3.3831 3.6367 3.6375 4.0453 4.0471 5.0867 5.0869 6.7211 6.7212 7.0346 7.0363 8.4992 8.5347 8.6600 8.6998 k = 0.3298-1.0655-0.6245 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1666 -36.1666 -36.1511 -36.1511 -8.7360 -8.7353 -8.3934 -8.3927 -7.0124 -7.0120 -6.4013 -6.4010 -1.1312 -1.1094 -0.8134 -0.7865 0.7494 0.7525 1.3521 1.3555 1.5626 1.5723 1.6485 1.6579 2.0296 2.0325 2.9214 2.9222 3.3219 3.3334 3.6118 3.6123 4.0196 4.0214 5.0711 5.0714 6.6801 6.6805 6.9931 6.9954 8.4332 8.4668 8.5892 8.6271 k = 0.3404-1.0999-0.6447 ( 8593 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1511 -8.7079 -8.7072 -8.3668 -8.3661 -6.9853 -6.9849 -6.3958 -6.3955 -1.2087 -1.1895 -0.8843 -0.8603 0.7868 0.7899 1.3375 1.3420 1.5220 1.5271 1.6191 1.6252 2.0044 2.0072 2.9067 2.9082 3.2729 3.2868 3.5894 3.5906 3.9952 3.9969 5.0561 5.0563 6.6411 6.6420 6.9529 6.9556 8.3677 8.3993 8.5200 8.5557 k = 0.3511-1.1342-0.6648 ( 8584 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1512 -8.6805 -8.6799 -8.3409 -8.3402 -6.9586 -6.9582 -6.3910 -6.3907 -1.2833 -1.2663 -0.9531 -0.9318 0.8262 0.8294 1.3215 1.3279 1.4816 1.4822 1.5934 1.5967 1.9806 1.9834 2.8889 2.8924 3.2291 3.2448 3.5700 3.5717 3.9722 3.9739 5.0417 5.0419 6.6045 6.6057 6.9141 6.9172 8.3037 8.3331 8.4528 8.4862 k = 0.3617-1.1686-0.6850 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1668 -36.1668 -36.1512 -36.1512 -8.6541 -8.6534 -8.3159 -8.3153 -6.9326 -6.9322 -6.3869 -6.3867 -1.3544 -1.3394 -1.0193 -1.0005 0.8665 0.8700 1.3030 1.3123 1.4403 1.4443 1.5706 1.5720 1.9581 1.9610 2.8670 2.8719 3.1922 3.2090 3.5535 3.5553 3.9506 3.9522 5.0279 5.0282 6.5704 6.5719 6.8770 6.8804 8.2419 8.2690 8.3883 8.4193 k = 0.3723-1.2030-0.7051 ( 8593 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1668 -36.1668 -36.1512 -36.1512 -8.6287 -8.6281 -8.2920 -8.2914 -6.9074 -6.9070 -6.3836 -6.3834 -1.4216 -1.4084 -1.0824 -1.0658 0.9062 0.9105 1.2806 1.2936 1.4048 1.4132 1.5505 1.5505 1.9371 1.9401 2.8393 2.8448 3.1638 3.1805 3.5396 3.5413 3.9304 3.9320 5.0150 5.0152 6.5388 6.5405 6.8418 6.8454 8.1828 8.2076 8.3270 8.3555 k = 0.3830-1.2373-0.7253 ( 8590 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.6046 -8.6040 -8.2693 -8.2687 -6.8832 -6.8828 -6.3811 -6.3808 -1.4847 -1.4730 -1.1419 -1.1273 0.9441 0.9493 1.2537 1.2700 1.3792 1.3909 1.5320 1.5332 1.9176 1.9207 2.8052 2.8104 3.1440 3.1599 3.5280 3.5295 3.9116 3.9132 5.0028 5.0031 6.5099 6.5118 6.8085 6.8123 8.1269 8.1494 8.2691 8.2951 k = 0.3936-1.2717-0.7454 ( 8592 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.5819 -8.5813 -8.2479 -8.2474 -6.8601 -6.8597 -6.3792 -6.3789 -1.5432 -1.5330 -1.1974 -1.1846 0.9782 0.9852 1.2230 1.2415 1.3647 1.3778 1.5168 1.5188 1.8996 1.9029 2.7652 2.7696 3.1322 3.1464 3.5185 3.5198 3.8944 3.8960 4.9916 4.9918 6.4837 6.4857 6.7774 6.7812 8.0747 8.0950 8.2151 8.2387 k = 0.4043-1.3061-0.7656 ( 8583 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5607 -8.5602 -8.2281 -8.2275 -6.8382 -6.8378 -6.3781 -6.3778 -1.5969 -1.5880 -1.2485 -1.2374 1.0069 1.0164 1.1907 1.2110 1.3599 1.3727 1.5054 1.5081 1.8832 1.8867 2.7208 2.7240 3.1264 3.1387 3.5107 3.5117 3.8788 3.8802 4.9812 4.9814 6.4603 6.4624 6.7486 6.7524 8.0265 8.0446 8.1653 8.1865 k = 0.4149-1.3405-0.7857 ( 8583 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5413 -8.5408 -8.2099 -8.2094 -6.8179 -6.8175 -6.3775 -6.3772 -1.6455 -1.6379 -1.2950 -1.2855 1.0286 1.0419 1.1589 1.1816 1.3620 1.3736 1.4990 1.5022 1.8685 1.8722 2.6735 2.6757 3.1249 3.1353 3.5045 3.5052 3.8647 3.8661 4.9718 4.9721 6.4396 6.4417 6.7223 6.7259 7.9827 7.9986 8.1201 8.1388 k = 0.4255-1.3748-0.8059 ( 8590 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5238 -8.5234 -8.1934 -8.1930 -6.7992 -6.7989 -6.3774 -6.3772 -1.6889 -1.6825 -1.3366 -1.3285 1.0421 1.0608 1.1292 1.1556 1.3678 1.3777 1.4992 1.5026 1.8554 1.8593 2.6252 2.6263 3.1263 3.1348 3.4995 3.4999 3.8522 3.8535 4.9635 4.9637 6.4216 6.4236 6.6986 6.7020 7.9435 7.9573 8.0797 8.0960 k = 0.4362-1.4092-0.8260 ( 8591 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.5082 -8.5079 -8.1789 -8.1785 -6.7824 -6.7821 -6.3778 -6.3776 -1.7269 -1.7215 -1.3731 -1.3663 1.0472 1.0730 1.1031 1.1349 1.3738 1.3817 1.5073 1.5106 1.8440 1.8481 2.5774 2.5777 3.1293 3.1362 3.4956 3.4958 3.8413 3.8425 4.9562 4.9563 6.4063 6.4082 6.6776 6.6808 7.9093 7.9210 8.0443 8.0582 k = 0.4468-1.4436-0.8461 ( 8594 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.4949 -8.4946 -8.1664 -8.1661 -6.7677 -6.7674 -6.3785 -6.3783 -1.7592 -1.7548 -1.4042 -1.3986 1.0448 1.0720 1.0888 1.1206 1.3777 1.3836 1.5231 1.5260 1.8344 1.8385 2.5316 2.5317 3.1331 3.1385 3.4926 3.4926 3.8321 3.8331 4.9499 4.9501 6.3936 6.3953 6.6596 6.6624 7.8801 7.8897 8.0141 8.0257 k = 0.4574-1.4779-0.8663 ( 8602 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.4838 -8.4835 -8.1560 -8.1558 -6.7553 -6.7551 -6.3793 -6.3791 -1.7858 -1.7823 -1.4298 -1.4254 1.0376 1.0552 1.0908 1.1118 1.3792 1.3834 1.5435 1.5461 1.8265 1.8306 2.4896 2.4901 3.1371 3.1412 3.4902 3.4903 3.8246 3.8254 4.9448 4.9449 6.3835 6.3849 6.6446 6.6470 7.8561 7.8638 7.9894 7.9987 k = 0.4681-1.5123-0.8864 ( 8610 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4750 -8.4748 -8.1478 -8.1476 -6.7454 -6.7452 -6.3801 -6.3799 -1.8065 -1.8040 -1.4497 -1.4465 1.0290 1.0397 1.0934 1.1064 1.3792 1.3820 1.5649 1.5671 1.8206 1.8243 2.4537 2.4544 3.1407 3.1437 3.4884 3.4885 3.8187 3.8194 4.9408 4.9409 6.3757 6.3769 6.6329 6.6348 7.8376 7.8433 7.9703 7.9772 k = 0.4787-1.5467-0.9066 ( 8602 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4687 -8.4686 -8.1419 -8.1418 -6.7381 -6.7380 -6.3808 -6.3807 -1.8213 -1.8196 -1.4639 -1.4617 1.0219 1.0280 1.0951 1.1027 1.3786 1.3803 1.5835 1.5852 1.8167 1.8195 2.4261 2.4267 3.1436 3.1456 3.4872 3.4873 3.8146 3.8150 4.9379 4.9380 6.3704 6.3711 6.6246 6.6259 7.8245 7.8283 7.9569 7.9615 k = 0.4894-1.5810-0.9267 ( 8604 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4649 -8.4648 -8.1384 -8.1383 -6.7337 -6.7336 -6.3812 -6.3812 -1.8300 -1.8291 -1.4722 -1.4711 1.0176 1.0204 1.0966 1.1001 1.3782 1.3790 1.5963 1.5973 1.8147 1.8163 2.4086 2.4089 3.1457 3.1466 3.4866 3.4866 3.8121 3.8123 4.9362 4.9362 6.3672 6.3676 6.6197 6.6203 7.8170 7.8189 7.9493 7.9516 k = 0.5000-1.6154-0.9469 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7322 -6.7322 -6.3814 -6.3814 -1.8326 -1.8326 -1.4746 -1.4746 1.0170 1.0170 1.0981 1.0981 1.3783 1.3783 1.6012 1.6012 1.8146 1.8146 2.4027 2.4027 3.1467 3.1467 3.4864 3.4864 3.8114 3.8114 4.9356 4.9356 6.3663 6.3663 6.6182 6.6182 7.8152 7.8152 7.9475 7.9475 k = 0.5000-1.6154-0.9469 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7322 -6.7322 -6.3814 -6.3814 -1.8326 -1.8326 -1.4746 -1.4746 1.0170 1.0170 1.0981 1.0981 1.3783 1.3783 1.6012 1.6012 1.8146 1.8146 2.4027 2.4027 3.1467 3.1467 3.4864 3.4864 3.8114 3.8114 4.9356 4.9356 6.3663 6.3663 6.6182 6.6182 7.8152 7.8152 7.9475 7.9475 k = 0.5000-1.5947-0.9823 ( 8604 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4632 -8.4632 -8.1368 -8.1368 -6.7319 -6.7319 -6.3813 -6.3812 -1.8331 -1.8304 -1.4751 -1.4725 1.0168 1.0186 1.0942 1.0988 1.3704 1.3790 1.5887 1.6128 1.8028 1.8164 2.4021 2.4026 3.1459 3.1488 3.4810 3.4848 3.8095 3.8122 4.9304 4.9314 6.3730 6.3777 6.6244 6.6293 7.8162 7.8187 7.9489 7.9513 k = 0.5000-1.5739-1.0177 ( 8608 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4622 -8.4621 -8.1358 -8.1357 -6.7309 -6.7308 -6.3810 -6.3809 -1.8319 -1.8265 -1.4739 -1.4688 1.0176 1.0217 1.0863 1.0963 1.3568 1.3717 1.5762 1.6232 1.7810 1.8089 2.4009 2.4017 3.1463 3.1523 3.4687 3.4762 3.8068 3.8120 4.9157 4.9177 6.3976 6.4070 6.6477 6.6573 7.8219 7.8269 7.9555 7.9603 k = 0.5000-1.5532-1.0531 ( 8608 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4604 -8.4603 -8.1342 -8.1340 -6.7292 -6.7291 -6.3805 -6.3804 -1.8290 -1.8209 -1.4712 -1.4635 1.0185 1.0264 1.0735 1.0904 1.3390 1.3565 1.5640 1.6319 1.7499 1.7937 2.3991 2.4002 3.1477 3.1570 3.4494 3.4607 3.8035 3.8109 4.8920 4.8949 6.4396 6.4535 6.6874 6.7016 7.8324 7.8396 7.9673 7.9742 k = 0.5000-1.5324-1.0885 ( 8608 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4580 -8.4578 -8.1318 -8.1316 -6.7268 -6.7267 -6.3798 -6.3797 -1.8246 -1.8137 -1.4670 -1.4566 1.0168 1.0326 1.0548 1.0811 1.3186 1.3354 1.5516 1.6385 1.7116 1.7733 2.3967 2.3978 3.1497 3.1631 3.4231 3.4386 3.8000 3.8094 4.8598 4.8637 6.4983 6.5165 6.7426 6.7610 7.8475 7.8569 7.9842 7.9930 k = 0.5000-1.5117-1.1239 ( 8604 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4549 -8.4546 -8.1289 -8.1286 -6.7238 -6.7237 -6.3789 -6.3789 -1.8185 -1.8048 -1.4612 -1.4481 1.0039 1.0310 1.0411 1.0716 1.2955 1.3123 1.5375 1.6367 1.6744 1.7509 2.3935 2.3947 3.1516 3.1704 3.3899 3.4105 3.7966 3.8074 4.8198 4.8248 6.5726 6.5948 6.8119 6.8342 7.8675 7.8788 8.0060 8.0164 k = 0.5000-1.4909-1.1593 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4511 -8.4508 -8.1253 -8.1250 -6.7201 -6.7200 -6.3779 -6.3778 -1.8109 -1.7942 -1.4540 -1.4380 0.9703 1.0027 1.0502 1.0688 1.2682 1.2915 1.5202 1.6026 1.6652 1.7302 2.3896 2.3906 3.1525 3.1788 3.3505 3.3780 3.7932 3.8051 4.7731 4.7790 6.6611 6.6871 6.8935 6.9192 7.8926 7.9058 8.0323 8.0440 k = 0.5000-1.4702-1.1947 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4467 -8.4463 -8.1212 -8.1208 -6.7159 -6.7157 -6.3768 -6.3767 -1.8019 -1.7821 -1.4454 -1.4265 0.9211 0.9621 1.0610 1.0732 1.2369 1.2720 1.4998 1.5543 1.6700 1.7144 2.3849 2.3856 3.1501 3.1880 3.3057 3.3440 3.7896 3.8024 4.7204 4.7273 6.7625 6.7918 6.9854 7.0140 7.9234 7.9385 8.0629 8.0756 k = 0.5000-1.4494-1.2301 ( 8594 PWs) bands (ev): -69.5031 -69.5031 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4418 -8.4414 -8.1165 -8.1161 -6.7111 -6.7109 -6.3756 -6.3754 -1.7914 -1.7684 -1.4355 -1.4136 0.8613 0.9093 1.0728 1.0808 1.2013 1.2491 1.4782 1.5096 1.6771 1.7046 2.3791 2.3797 3.1406 3.1971 3.2573 3.3131 3.7857 3.7992 4.6627 4.6707 6.8750 6.9072 7.0853 7.1161 7.9606 7.9780 8.0973 8.1107 k = 0.5000-1.4287-1.2655 ( 8622 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4363 -8.4358 -8.1113 -8.1108 -6.7057 -6.7055 -6.3743 -6.3741 -1.7797 -1.7534 -1.4244 -1.3993 0.7933 0.8471 1.0836 1.0873 1.1623 1.2177 1.4582 1.4774 1.6850 1.7003 2.3719 2.3728 3.1192 3.1902 3.2222 3.2914 3.7811 3.7952 4.6011 4.6101 6.9966 7.0313 7.1902 7.2225 8.0056 8.0258 8.1350 8.1489 k = 0.5000-1.4079-1.3009 ( 8626 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4304 -8.4299 -8.1057 -8.1052 -6.6999 -6.6997 -6.3729 -6.3727 -1.7668 -1.7369 -1.4122 -1.3837 0.7194 0.7780 1.0700 1.0934 1.1356 1.1794 1.4431 1.4614 1.6934 1.6999 2.3633 2.3647 3.0841 3.1401 3.2286 3.2817 3.7756 3.7902 4.5364 4.5465 7.1251 7.1614 7.2974 7.3303 8.0598 8.0837 8.1755 8.1900 k = 0.5000-1.3872-1.3363 ( 8626 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4241 -8.4235 -8.0996 -8.0991 -6.6936 -6.6933 -6.3715 -6.3713 -1.7529 -1.7192 -1.3991 -1.3670 0.6412 0.7042 1.0186 1.0754 1.1369 1.1572 1.4373 1.4570 1.7020 1.7023 2.3531 2.3552 3.0383 3.0826 3.2418 3.2821 3.7689 3.7842 4.4696 4.4809 7.2575 7.2942 7.4042 7.4366 8.1248 8.1534 8.2181 8.2336 k = 0.5000-1.3664-1.3717 ( 8634 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1673 -36.1673 -36.1512 -36.1512 -8.4174 -8.4167 -8.0933 -8.0927 -6.6869 -6.6866 -6.3702 -6.3699 -1.7380 -1.7004 -1.3851 -1.3493 0.5604 0.6276 0.9513 1.0199 1.1502 1.1644 1.4404 1.4604 1.7064 1.7107 2.3414 2.3441 2.9866 3.0238 3.2568 3.2889 3.7611 3.7769 4.4014 4.4140 7.3896 7.4234 7.5099 7.5402 8.2012 8.2359 8.2620 8.2798 k = 0.5000-1.3457-1.4071 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.4104 -8.4097 -8.0867 -8.0861 -6.6798 -6.6795 -6.3689 -6.3686 -1.7225 -1.6806 -1.3706 -1.3307 0.4783 0.5497 0.8777 0.9508 1.1680 1.1808 1.4500 1.4696 1.7113 1.7192 2.3278 2.3312 2.9323 2.9653 3.2731 3.2998 3.7518 3.7683 4.3327 4.3466 7.5145 7.5385 7.6184 7.6438 8.2828 8.3043 8.3279 8.3386 k = 0.5000-1.3249-1.4425 ( 8638 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.4032 -8.4025 -8.0800 -8.0793 -6.6725 -6.6722 -6.3676 -6.3674 -1.7064 -1.6600 -1.3556 -1.3114 0.3961 0.4718 0.8011 0.8777 1.1878 1.2003 1.4640 1.4832 1.7164 1.7273 2.3124 2.3164 2.8779 2.9081 3.2906 3.3136 3.7412 3.7585 4.2640 4.2794 7.6221 7.6317 7.7311 7.7537 8.3412 8.3459 8.4168 8.4419 k = 0.5000-1.3042-1.4779 ( 8638 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.3960 -8.3952 -8.0731 -8.0724 -6.6650 -6.6646 -6.3665 -6.3662 -1.6900 -1.6389 -1.3403 -1.2917 0.3148 0.3951 0.7238 0.8038 1.2089 1.2215 1.4811 1.5002 1.7210 1.7348 2.2951 2.2996 2.8251 2.8535 3.3093 3.3295 3.7292 3.7473 4.1961 4.2130 7.7058 7.7097 7.8433 7.8669 8.3765 8.3805 8.5290 8.5569 k = 0.5000-1.2834-1.5133 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.3886 -8.3878 -8.0662 -8.0655 -6.6573 -6.6570 -6.3656 -6.3653 -1.6736 -1.6174 -1.3251 -1.2717 0.2356 0.3204 0.6474 0.7311 1.2308 1.2438 1.5005 1.5198 1.7246 1.7414 2.2760 2.2807 2.7753 2.8023 3.3290 3.3472 3.7158 3.7349 4.1295 4.1481 7.7706 7.7788 7.9482 7.9714 8.4004 8.4034 8.6520 8.6764 k = 0.5000-1.2627-1.5487 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3814 -8.3806 -8.0594 -8.0586 -6.6496 -6.6493 -6.3648 -6.3645 -1.6574 -1.5960 -1.3102 -1.2518 0.1593 0.2489 0.5733 0.6610 1.2531 1.2667 1.5212 1.5415 1.7269 1.7469 2.2551 2.2598 2.7297 2.7555 3.3498 3.3663 3.7012 3.7214 4.0645 4.0850 7.8268 7.8381 8.0369 8.0584 8.4151 8.4170 8.7798 8.7976 k = 0.5000-1.2419-1.5841 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3743 -8.3734 -8.0527 -8.0519 -6.6420 -6.6416 -6.3642 -6.3638 -1.6417 -1.5748 -1.2958 -1.2323 0.0868 0.1813 0.5025 0.5945 1.2754 1.2899 1.5426 1.5648 1.7275 1.7514 2.2328 2.2369 2.6893 2.7138 3.3716 3.3866 3.6855 3.7069 4.0016 4.0241 7.8770 7.8909 8.1011 8.1205 8.4280 8.4295 8.9072 8.9179 k = 0.5000-1.2212-1.6195 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3675 -8.3666 -8.0463 -8.0455 -6.6345 -6.6341 -6.3638 -6.3634 -1.6268 -1.5543 -1.2823 -1.2135 0.0190 0.1184 0.4362 0.5324 1.2972 1.3128 1.5640 1.5890 1.7263 1.7550 2.2094 2.2126 2.6548 2.6778 3.3942 3.4079 3.6690 3.6916 3.9411 3.9658 7.9219 7.9388 8.1340 8.1524 8.4499 8.4523 9.0273 9.0329 k = 0.5000-1.2004-1.6549 ( 8646 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3610 -8.3601 -8.0402 -8.0394 -6.6273 -6.6269 -6.3636 -6.3632 -1.6131 -1.5350 -1.2699 -1.1959 -0.0433 0.0611 0.3751 0.4758 1.3180 1.3348 1.5844 1.6135 1.7235 1.7581 2.1853 2.1875 2.6266 2.6481 3.4174 3.4300 3.6521 3.6759 3.8833 3.9104 7.9612 7.9827 8.1371 8.1576 8.4856 8.4898 9.1296 9.1335 k = 0.5000-1.1797-1.6903 ( 8648 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3551 -8.3541 -8.0346 -8.0337 -6.6205 -6.6201 -6.3636 -6.3631 -1.6008 -1.5172 -1.2590 -1.1797 -0.0991 0.0099 0.3202 0.4252 1.3370 1.3553 1.6031 1.6375 1.7197 1.7612 2.1607 2.1631 2.6049 2.6247 3.4407 3.4525 3.6352 3.6602 3.8283 3.8581 7.9921 8.0214 8.1219 8.1491 8.5318 8.5374 9.1998 9.2046 k = 0.5000-1.1589-1.7257 ( 8644 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3497 -8.3487 -8.0295 -8.0287 -6.6143 -6.6139 -6.3637 -6.3633 -1.5903 -1.5015 -1.2496 -1.1655 -0.1478 -0.0343 0.2723 0.3812 1.3536 1.3734 1.6194 1.6594 1.7161 1.7647 2.1367 2.1407 2.5896 2.6076 3.4629 3.4748 3.6194 3.6451 3.7767 3.8093 8.0078 8.0455 8.1083 8.1437 8.5829 8.5897 9.2269 9.2326 k = 0.5000-1.1382-1.7611 ( 8636 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3450 -8.3440 -8.0251 -8.0242 -6.6088 -6.6083 -6.3639 -6.3635 -1.5817 -1.4882 -1.2420 -1.1535 -0.1887 -0.0712 0.2318 0.3445 1.3669 1.3880 1.6327 1.6764 1.7154 1.7686 2.1155 2.1212 2.5803 2.5967 3.4810 3.4967 3.6060 3.6322 3.7291 3.7642 8.0023 8.0333 8.1248 8.1537 8.6357 8.6432 9.2194 9.2252 k = 0.5000-1.1174-1.7965 ( 8640 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3411 -8.3401 -8.0215 -8.0206 -6.6041 -6.6037 -6.3643 -6.3638 -1.5751 -1.4776 -1.2363 -1.1441 -0.2210 -0.1001 0.1995 0.3153 1.3761 1.3983 1.6429 1.6854 1.7206 1.7722 2.0991 2.1058 2.5765 2.5914 3.4905 3.5164 3.5959 3.6247 3.6872 3.7237 7.9818 8.0037 8.1565 8.1766 8.6885 8.6965 9.1951 9.2005 k = 0.5000-1.0967-1.8319 ( 8636 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3382 -8.3371 -8.0187 -8.0178 -6.6005 -6.6001 -6.3646 -6.3641 -1.5706 -1.4701 -1.2324 -1.1374 -0.2446 -0.1209 0.1756 0.2938 1.3809 1.4038 1.6493 1.6889 1.7287 1.7750 2.0897 2.0964 2.5775 2.5912 3.4884 3.5287 3.5869 3.6266 3.6568 3.6895 7.9560 7.9724 8.1896 8.2045 8.7406 8.7490 9.1644 9.1697 k = 0.5000-1.0759-1.8673 ( 8630 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3362 -8.3352 -8.0169 -8.0160 -6.5981 -6.5977 -6.3649 -6.3644 -1.5680 -1.4656 -1.2301 -1.1334 -0.2590 -0.1334 0.1602 0.2803 1.3814 1.4043 1.6501 1.6919 1.7334 1.7777 2.0889 2.0943 2.5827 2.5954 3.4763 3.5251 3.5755 3.6266 3.6532 3.6684 7.9302 7.9434 8.2214 8.2333 8.7915 8.7999 9.1320 9.1375 k = 0.5000-1.0552-1.9027 ( 8632 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3354 -8.3344 -8.0162 -8.0152 -6.5971 -6.5967 -6.3650 -6.3645 -1.5670 -1.4638 -1.2293 -1.1318 -0.2643 -0.1376 0.1533 0.2744 1.3781 1.4007 1.6444 1.6924 1.7349 1.7822 2.0968 2.1002 2.5915 2.6034 3.4580 3.5045 3.5634 3.6120 3.6692 3.6774 7.9070 7.9181 8.2510 8.2609 8.8405 8.8489 9.1001 9.1062 k = 0.5000-1.0344-1.9381 ( 8628 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3358 -8.3348 -8.0166 -8.0156 -6.5977 -6.5972 -6.3649 -6.3644 -1.5673 -1.4645 -1.2295 -1.1324 -0.2608 -0.1338 0.1546 0.2761 1.3719 1.3940 1.6323 1.6825 1.7404 1.7887 2.1125 2.1136 2.6033 2.6147 3.4362 3.4751 3.5540 3.5939 3.6921 3.7039 7.8877 7.8974 8.2777 8.2863 8.8869 8.8950 9.0697 9.0770 k = 0.8282-0.9848-1.8494 ( 8628 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3358 -8.3348 -8.0166 -8.0156 -6.5977 -6.5972 -6.3649 -6.3644 -1.5673 -1.4645 -1.2295 -1.1324 -0.2608 -0.1338 0.1546 0.2761 1.3719 1.3940 1.6323 1.6825 1.7404 1.7887 2.1125 2.1136 2.6033 2.6147 3.4362 3.4751 3.5540 3.5939 3.6921 3.7039 7.8877 7.8974 8.2777 8.2863 8.8869 8.8950 9.0697 9.0770 k = 0.8221-0.9652-1.8144 ( 8630 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3376 -8.3365 -8.0182 -8.0173 -6.5998 -6.5994 -6.3646 -6.3641 -1.5683 -1.4669 -1.2303 -1.1345 -0.2491 -0.1224 0.1637 0.2849 1.3642 1.3855 1.6148 1.6619 1.7513 1.7964 2.1329 2.1341 2.6176 2.6285 3.4127 3.4438 3.5479 3.5795 3.7206 3.7342 7.8732 7.8820 8.3007 8.3083 8.9286 8.9360 9.0426 9.0524 k = 0.8161-0.9455-1.7793 ( 8642 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3407 -8.3396 -8.0211 -8.0202 -6.6038 -6.6033 -6.3640 -6.3636 -1.5697 -1.4704 -1.2312 -1.1374 -0.2298 -0.1040 0.1799 0.3003 1.3558 1.3764 1.5926 1.6350 1.7644 1.8046 2.1570 2.1596 2.6341 2.6446 3.3887 3.4131 3.5451 3.5700 3.7522 3.7665 7.8638 7.8719 8.3200 8.3267 8.9597 8.9669 9.0232 9.0384 k = 0.8100-0.9259-1.7442 ( 8640 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3452 -8.3442 -8.0253 -8.0244 -6.6095 -6.6091 -6.3632 -6.3627 -1.5706 -1.4743 -1.2315 -1.1405 -0.2035 -0.0791 0.2026 0.3217 1.3477 1.3675 1.5669 1.6046 1.7773 1.8124 2.1842 2.1880 2.6527 2.6627 3.3650 3.3844 3.5458 3.5659 3.7856 3.8004 7.8597 7.8673 8.3349 8.3409 8.9647 8.9705 9.0302 9.0478 k = 0.8039-0.9062-1.7092 ( 8642 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3513 -8.3503 -8.0310 -8.0301 -6.6170 -6.6166 -6.3621 -6.3617 -1.5707 -1.4777 -1.2309 -1.1429 -0.1709 -0.0482 0.2312 0.3488 1.3405 1.3598 1.5388 1.5723 1.7889 1.8191 2.2131 2.2178 2.6733 2.6827 3.3425 3.3584 3.5501 3.5671 3.8203 3.8354 7.8610 7.8682 8.3452 8.3505 8.9510 8.9538 9.0562 9.0720 k = 0.7978-0.8866-1.6741 ( 8644 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3589 -8.3579 -8.0381 -8.0372 -6.6264 -6.6260 -6.3609 -6.3605 -1.5694 -1.4800 -1.2286 -1.1441 -0.1327 -0.0120 0.2651 0.3809 1.3347 1.3537 1.5092 1.5392 1.7983 1.8239 2.2427 2.2483 2.6959 2.7045 3.3220 3.3356 3.5584 3.5735 3.8560 3.8713 7.8677 7.8748 8.3507 8.3554 8.9334 8.9351 9.0813 9.0963 k = 0.7917-0.8670-1.6390 ( 8642 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3681 -8.3671 -8.0467 -8.0458 -6.6375 -6.6371 -6.3597 -6.3592 -1.5661 -1.4805 -1.2243 -1.1434 -0.0896 0.0290 0.3037 0.4176 1.3307 1.3495 1.4789 1.5059 1.8051 1.8264 2.2720 2.2786 2.7204 2.7283 3.3042 3.3167 3.5707 3.5848 3.8925 3.9080 7.8797 7.8868 8.3516 8.3556 8.9161 8.9174 9.1008 9.1154 k = 0.7857-0.8473-1.6040 ( 8654 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3789 -8.3779 -8.0568 -8.0559 -6.6504 -6.6499 -6.3584 -6.3580 -1.5605 -1.4787 -1.2175 -1.1402 -0.0421 0.0744 0.3463 0.4584 1.3283 1.3473 1.4485 1.4728 1.8091 1.8264 2.3003 2.3082 2.7470 2.7539 3.2898 3.3021 3.5869 3.6009 3.9296 3.9453 7.8970 7.9043 8.3479 8.3512 8.8999 8.9013 9.1129 9.1273 k = 0.7796-0.8277-1.5689 ( 8650 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3913 -8.3904 -8.0684 -8.0676 -6.6649 -6.6644 -6.3573 -6.3569 -1.5520 -1.4741 -1.2077 -1.1341 0.0092 0.1236 0.3925 0.5027 1.3274 1.3472 1.4188 1.4407 1.8103 1.8238 2.3269 2.3364 2.7755 2.7815 3.2795 3.2920 3.6070 3.6213 3.9674 3.9833 7.9192 7.9269 8.3404 8.3430 8.8849 8.8866 9.1165 9.1309 k = 0.7735-0.8081-1.5338 ( 8632 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.4053 -8.4044 -8.0816 -8.0807 -6.6809 -6.6804 -6.3563 -6.3559 -1.5405 -1.4663 -1.1947 -1.1246 0.0638 0.1763 0.4417 0.5501 1.3267 1.3485 1.3908 1.4102 1.8093 1.8191 2.3516 2.3627 2.8061 2.8112 3.2737 3.2867 3.6309 3.6456 4.0056 4.0218 7.9460 7.9545 8.3296 8.3315 8.8707 8.8728 9.1113 9.1256 k = 0.7674-0.7884-1.4987 ( 8654 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.4210 -8.4201 -8.0962 -8.0954 -6.6984 -6.6979 -6.3557 -6.3553 -1.5256 -1.4551 -1.1781 -1.1115 0.1213 0.2319 0.4934 0.6001 1.3222 1.3486 1.3674 1.3847 1.8065 1.8129 2.3740 2.3869 2.8385 2.8430 3.2730 3.2865 3.6582 3.6735 4.0443 4.0607 7.9770 7.9867 8.3162 8.3181 8.8566 8.8596 9.0973 9.1119 k = 0.7614-0.7688-1.4637 ( 8648 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1513 -36.1513 -8.4382 -8.4373 -8.1124 -8.1115 -6.7172 -6.7167 -6.3554 -6.3551 -1.5070 -1.4401 -1.1577 -1.0944 0.1813 0.2902 0.5472 0.6525 1.3078 1.3335 1.3596 1.3727 1.8028 1.8062 2.3943 2.4088 2.8726 2.8769 3.2773 3.2915 3.6886 3.7046 4.0834 4.1001 8.0114 8.0230 8.3008 8.3040 8.8421 8.8464 9.0754 9.0908 k = 0.7553-0.7491-1.4286 ( 8644 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1513 -36.1513 -8.4569 -8.4560 -8.1299 -8.1291 -6.7373 -6.7369 -6.3557 -6.3553 -1.4848 -1.4212 -1.1334 -1.0733 0.2435 0.3509 0.6025 0.7066 1.2847 1.3069 1.3621 1.3734 1.7987 1.8007 2.4125 2.4284 2.9082 2.9127 3.2868 3.3013 3.7219 3.7386 4.1228 4.1399 8.0480 8.0628 8.2847 8.2906 8.8266 8.8330 9.0470 9.0637 k = 0.7492-0.7295-1.3935 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1513 -36.1512 -8.4770 -8.4762 -8.1489 -8.1481 -6.7586 -6.7581 -6.3564 -6.3560 -1.4587 -1.3983 -1.1050 -1.0479 0.3074 0.4136 0.6589 0.7620 1.2587 1.2786 1.3668 1.3778 1.7949 1.7986 2.4292 2.4461 2.9451 2.9503 3.3010 3.3159 3.7576 3.7750 4.1627 4.1801 8.0846 8.1047 8.2694 8.2800 8.8101 8.8190 9.0138 9.0325 k = 0.7431-0.7099-1.3585 ( 8644 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4986 -8.4977 -8.1692 -8.1684 -6.7809 -6.7805 -6.3577 -6.3574 -1.4287 -1.3714 -1.0725 -1.0183 0.3729 0.4781 0.7156 0.8181 1.2320 1.2505 1.3719 1.3822 1.7940 1.8001 2.4449 2.4624 2.9834 2.9892 3.3195 3.3347 3.7955 3.8136 4.2029 4.2206 8.1171 8.1455 8.2580 8.2760 8.7922 8.8043 8.9775 8.9991 k = 0.7370-0.6902-1.3234 ( 8640 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.5214 -8.5206 -8.1908 -8.1900 -6.8043 -6.8038 -6.3596 -6.3593 -1.3947 -1.3403 -1.0358 -0.9843 0.4395 0.5440 0.7720 0.8743 1.2055 1.2230 1.3763 1.3854 1.7978 1.8060 2.4602 2.4780 3.0228 3.0293 3.3419 3.3572 3.8352 3.8539 4.2434 4.2614 8.1388 8.1757 8.2597 8.2848 8.7734 8.7892 8.9399 8.9652 k = 0.7310-0.6706-1.2883 ( 8636 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5454 -8.5446 -8.2135 -8.2127 -6.8285 -6.8280 -6.3622 -6.3619 -1.3569 -1.3052 -0.9950 -0.9460 0.5068 0.6111 0.8267 0.9296 1.1794 1.1967 1.3798 1.3873 1.8075 1.8175 2.4757 2.4935 3.0632 3.0702 3.3673 3.3827 3.8765 3.8959 4.2843 4.3026 8.1455 8.1823 8.2863 8.3093 8.7540 8.7741 8.9027 8.9323 k = 0.7249-0.6510-1.2533 ( 8636 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5705 -8.5697 -8.2373 -8.2365 -6.8535 -6.8530 -6.3654 -6.3651 -1.3153 -1.2662 -0.9501 -0.9034 0.5745 0.6790 0.8782 0.9824 1.1539 1.1726 1.3829 1.3885 1.8238 1.8351 2.4923 2.5097 3.1045 3.1118 3.3952 3.4107 3.9191 3.9390 4.3255 4.3442 8.1410 8.1742 8.3276 8.3440 8.7351 8.7598 8.8672 8.9018 k = 0.7188-0.6313-1.2182 ( 8638 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1669 -36.1669 -36.1512 -36.1512 -8.5967 -8.5959 -8.2621 -8.2613 -6.8791 -6.8787 -6.3693 -6.3690 -1.2700 -1.2233 -0.9012 -0.8567 0.6418 0.7473 0.9234 1.0304 1.1294 1.1525 1.3867 1.3917 1.8465 1.8588 2.5104 2.5273 3.1463 3.1538 3.4249 3.4404 3.9628 3.9832 4.3671 4.3861 8.1306 8.1618 8.3703 8.3809 8.7182 8.7478 8.8349 8.8743 k = 0.7127-0.6117-1.1831 ( 8630 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.6237 -8.6229 -8.2878 -8.2870 -6.9054 -6.9050 -6.3739 -6.3736 -1.2212 -1.1768 -0.8485 -0.8059 0.7079 0.8154 0.9581 1.0688 1.1076 1.1400 1.3931 1.4009 1.8753 1.8884 2.5308 2.5469 3.1885 3.1962 3.4559 3.4713 4.0073 4.0281 4.4091 4.4283 8.1175 8.1483 8.4075 8.4136 8.7048 8.7395 8.8062 8.8505 k = 0.7067-0.5920-1.1480 ( 8628 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1668 -36.1668 -36.1512 -36.1512 -8.6515 -8.6507 -8.3142 -8.3134 -6.9322 -6.9318 -6.3792 -6.3789 -1.1692 -1.1268 -0.7920 -0.7512 0.7709 0.8818 0.9775 1.0776 1.1056 1.1400 1.4059 1.4194 1.9096 1.9231 2.5537 2.5689 3.2312 3.2388 3.4875 3.5028 4.0525 4.0736 4.4515 4.4708 8.1028 8.1345 8.4333 8.4382 8.6964 8.7357 8.7813 8.8298 k = 0.7006-0.5724-1.1130 ( 8624 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4473 -36.1668 -36.1668 -36.1512 -36.1512 -8.6799 -8.6791 -8.3413 -8.3406 -6.9594 -6.9590 -6.3851 -6.3848 -1.1141 -1.0738 -0.7322 -0.6929 0.8274 0.9404 0.9850 1.0634 1.1210 1.1503 1.4285 1.4494 1.9483 1.9623 2.5796 2.5937 3.2741 3.2816 3.5194 3.5346 4.0981 4.1195 4.4942 4.5137 8.0870 8.1206 8.4449 8.4523 8.6916 8.7341 8.7594 8.8103 k = 0.6945-0.5528-1.0779 ( 8618 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1512 -8.7088 -8.7081 -8.3690 -8.3682 -6.9869 -6.9865 -6.3916 -6.3913 -1.0564 -1.0179 -0.6691 -0.6313 0.8705 0.9569 1.0160 1.0565 1.1384 1.1622 1.4622 1.4906 1.9908 2.0051 2.6088 2.6216 3.3174 3.3247 3.5511 3.5662 4.1441 4.1655 4.5373 4.5568 8.0701 8.1063 8.4449 8.4552 8.6855 8.7233 8.7455 8.7896 k = 0.6884-0.5331-1.0428 ( 8616 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1666 -36.1666 -36.1512 -36.1512 -8.7382 -8.7374 -8.3971 -8.3963 -7.0147 -7.0142 -6.3987 -6.3984 -0.9964 -0.9597 -0.6031 -0.5666 0.8905 0.9451 1.0514 1.0663 1.1676 1.1769 1.5060 1.5407 2.0361 2.0507 2.6413 2.6528 3.3610 3.3681 3.5824 3.5974 4.1902 4.2116 4.5807 4.6001 8.0522 8.0914 8.4370 8.4499 8.6687 8.6964 8.7430 8.7686 k = 0.6823-0.5135-1.0078 ( 8606 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1666 -36.1666 -36.1512 -36.1512 -8.7679 -8.7671 -8.4255 -8.4247 -7.0425 -7.0421 -6.4063 -6.4061 -0.9347 -0.8996 -0.5346 -0.4994 0.8875 0.9292 1.0655 1.0847 1.2027 1.2164 1.5574 1.5970 2.0836 2.0984 2.6772 2.6872 3.4050 3.4120 3.6131 3.6280 4.2364 4.2575 4.6243 4.6435 8.0329 8.0756 8.4246 8.4400 8.6335 8.6613 8.7436 8.7544 k = 0.6763-0.4939-0.9727 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1512 -36.1511 -8.7977 -8.7969 -8.4542 -8.4534 -7.0704 -7.0700 -6.4145 -6.4143 -0.8717 -0.8381 -0.4639 -0.4300 0.8722 0.9122 1.0691 1.0959 1.2450 1.2771 1.6142 1.6571 2.1326 2.1476 2.7164 2.7250 3.4495 3.4565 3.6430 3.6579 4.2823 4.3031 4.6681 4.6870 8.0120 8.0583 8.4102 8.4281 8.5851 8.6169 8.7463 8.7495 k = 0.6702-0.4742-0.9376 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1664 -36.1664 -36.1511 -36.1511 -8.8276 -8.8268 -8.4829 -8.4821 -7.0983 -7.0979 -6.4231 -6.4229 -0.8081 -0.7761 -0.3917 -0.3591 0.8525 0.8954 1.0680 1.1021 1.2995 1.3423 1.6744 1.7196 2.1824 2.1974 2.7588 2.7659 3.4947 3.5019 3.6721 3.6871 4.3280 4.3482 4.7119 4.7305 7.9892 8.0391 8.3957 8.4158 8.5299 8.5657 8.7494 8.7515 k = 0.6641-0.4546-0.9026 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1664 -36.1664 -36.1511 -36.1511 -8.8574 -8.8566 -8.5116 -8.5108 -7.1260 -7.1256 -6.4322 -6.4320 -0.7447 -0.7141 -0.3184 -0.2877 0.8324 0.8801 1.0666 1.1075 1.3602 1.4088 1.7368 1.7834 2.2323 2.2475 2.8041 2.8099 3.5405 3.5484 3.7003 3.7158 4.3732 4.3928 4.7557 4.7737 7.9640 8.0174 8.3819 8.4041 8.4713 8.5106 8.7521 8.7565 k = 0.6580-0.4350-0.8675 ( 8582 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1663 -36.1663 -36.1511 -36.1511 -8.8870 -8.8863 -8.5402 -8.5394 -7.1535 -7.1531 -6.4416 -6.4414 -0.6822 -0.6532 -0.2449 -0.2165 0.8139 0.8675 1.0679 1.1151 1.4235 1.4754 1.8003 1.8478 2.2818 2.2971 2.8519 2.8567 3.5872 3.5963 3.7279 3.7444 4.4179 4.4367 4.7992 4.8167 7.9360 7.9926 8.3675 8.3934 8.4128 8.4537 8.7538 8.7601 k = 0.6520-0.4153-0.8324 ( 8576 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9164 -8.9157 -8.5685 -8.5678 -7.1806 -7.1803 -6.4513 -6.4511 -0.6215 -0.5943 -0.1722 -0.1471 0.7985 0.8593 1.0738 1.1272 1.4878 1.5413 1.8642 1.9121 2.3303 2.3457 2.9017 2.9062 3.6344 3.6458 3.7552 3.7735 4.4619 4.4799 4.8424 4.8593 7.9045 7.9639 8.3355 8.3716 8.3840 8.3975 8.7525 8.7601 k = 0.6459-0.3957-0.7974 ( 8578 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9454 -8.9447 -8.5965 -8.5958 -7.2074 -7.2071 -6.4612 -6.4610 -0.5635 -0.5382 -0.1017 -0.0808 0.7879 0.8569 1.0856 1.1451 1.5519 1.6062 1.9279 1.9759 2.3773 2.3929 2.9530 2.9579 3.6819 3.6969 3.7826 3.8039 4.5051 4.5221 4.8851 4.9012 7.8688 7.9306 8.2764 8.3315 8.3663 8.3784 8.7480 8.7557 k = 0.6398-0.3760-0.7623 ( 8578 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1661 -36.1661 -36.1511 -36.1511 -8.9740 -8.9733 -8.6241 -8.6234 -7.2337 -7.2334 -6.4713 -6.4712 -0.5092 -0.4861 -0.0349 -0.0194 0.7840 0.8621 1.1048 1.1700 1.6153 1.6696 1.9910 2.0387 2.4224 2.4381 3.0054 3.0112 3.7288 3.7490 3.8114 3.8371 4.5474 4.5635 4.9271 4.9424 7.8283 7.8919 8.2122 8.2715 8.3622 8.3742 8.7423 8.7488 k = 0.6337-0.3564-0.7272 ( 8584 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1661 -36.1661 -36.1511 -36.1511 -9.0020 -9.0013 -8.6512 -8.6505 -7.2594 -7.2591 -6.4816 -6.4814 -0.4594 -0.4386 0.0259 0.0350 0.7893 0.8767 1.1324 1.2028 1.6776 1.7315 2.0531 2.1003 2.4652 2.4811 3.0583 3.0653 3.7738 3.7993 3.8448 3.8752 4.5888 4.6039 4.9682 4.9827 7.7826 7.8473 8.1463 8.2087 8.3634 8.3734 8.7379 8.7423 k = 0.6276-0.3368-0.6921 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1660 -36.1660 -36.1511 -36.1511 -9.0293 -9.0286 -8.6777 -8.6770 -7.2846 -7.2843 -6.4919 -6.4917 -0.4149 -0.3966 0.0785 0.0808 0.8059 0.9024 1.1690 1.2438 1.7383 1.7914 2.1138 2.1603 2.5053 2.5215 3.1111 3.1193 3.8158 3.8421 3.8894 3.9197 4.6291 4.6432 5.0083 5.0219 7.7313 7.7966 8.0788 8.1434 8.3689 8.3764 8.7369 8.7391 k = 0.6216-0.3171-0.6571 ( 8592 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0558 -9.0552 -8.7034 -8.7028 -7.3090 -7.3087 -6.5021 -6.5020 -0.3761 -0.3603 0.1168 0.1209 0.8361 0.9403 1.2150 1.2934 1.7973 1.8493 2.1727 2.2183 2.5426 2.5591 3.1630 3.1723 3.8550 3.8773 3.9455 3.9713 4.6685 4.6816 5.0472 5.0600 7.6745 7.7395 8.0094 8.0752 8.3783 8.3839 8.7397 8.7415 k = 0.6155-0.2975-0.6220 ( 8586 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0816 -9.0810 -8.7284 -8.7278 -7.3326 -7.3324 -6.5123 -6.5122 -0.3433 -0.3299 0.1429 0.1518 0.8810 0.9905 1.2705 1.3514 1.8542 1.9050 2.2297 2.2741 2.5770 2.5939 3.2131 3.2232 3.8930 3.9111 4.0078 4.0287 4.7070 4.7190 5.0848 5.0967 7.6121 7.6763 7.9377 8.0039 8.3913 8.3963 8.7465 8.7505 k = 0.6094-0.2779-0.5869 ( 8586 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1658 -36.1658 -36.1511 -36.1511 -9.1065 -9.1059 -8.7526 -8.7520 -7.3555 -7.3552 -6.5224 -6.5223 -0.3164 -0.3053 0.1597 0.1718 0.9400 1.0522 1.3350 1.4172 1.9091 1.9583 2.2845 2.3275 2.6084 2.6258 3.2604 3.2711 3.9318 3.9466 4.0734 4.0905 4.7445 4.7555 5.1209 5.1319 7.5445 7.6073 7.8635 7.9293 8.4079 8.4138 8.7588 8.7650 k = 0.6033-0.2582-0.5519 ( 8582 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1511 -36.1511 -9.1304 -9.1298 -8.7758 -8.7753 -7.3774 -7.3772 -6.5323 -6.5322 -0.2951 -0.2861 0.1687 0.1823 1.0115 1.1239 1.4079 1.4902 1.9617 2.0092 2.3368 2.3783 2.6369 2.6548 3.3039 3.3149 3.9728 3.9852 4.1413 4.1555 4.7812 4.7913 5.1554 5.1655 7.4719 7.5330 7.7863 7.8510 8.4284 8.4358 8.7764 8.7847 k = 0.5972-0.2386-0.5168 ( 8588 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1511 -36.1510 -9.1532 -9.1527 -8.7981 -8.7975 -7.3984 -7.3982 -6.5420 -6.5419 -0.2789 -0.2717 0.1714 0.1852 1.0933 1.2038 1.4883 1.5694 2.0120 2.0575 2.3865 2.4261 2.6626 2.6812 3.3426 3.3537 4.0170 4.0278 4.2104 4.2223 4.8173 4.8265 5.1882 5.1974 7.3947 7.4537 7.7061 7.7693 8.4529 8.4618 8.7992 8.8092 k = 0.5912-0.2189-0.4817 ( 8582 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1656 -36.1656 -36.1510 -36.1510 -9.1750 -9.1745 -8.8193 -8.8187 -7.4184 -7.4182 -6.5513 -6.5512 -0.2673 -0.2616 0.1694 0.1828 1.1828 1.2900 1.5749 1.6538 2.0598 2.1032 2.4334 2.4711 2.6857 2.7051 3.3761 3.3870 4.0649 4.0746 4.2800 4.2902 4.8529 4.8612 5.2192 5.2275 7.3133 7.3701 7.6229 7.6841 8.4813 8.4915 8.8266 8.8379 k = 0.5851-0.1993-0.4467 ( 8586 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1656 -36.1656 -36.1510 -36.1510 -9.1956 -9.1952 -8.8393 -8.8389 -7.4373 -7.4371 -6.5604 -6.5603 -0.2594 -0.2549 0.1641 0.1765 1.2781 1.3810 1.6665 1.7422 2.1052 2.1462 2.4772 2.5130 2.7065 2.7268 3.4039 3.4144 4.1164 4.1253 4.3493 4.3579 4.8883 4.8959 5.2484 5.2558 7.2283 7.2827 7.5368 7.5958 8.5132 8.5244 8.8580 8.8704 k = 0.5790-0.1797-0.4116 ( 8574 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2150 -9.2146 -8.8583 -8.8578 -7.4551 -7.4550 -6.5690 -6.5689 -0.2547 -0.2512 0.1566 0.1678 1.3771 1.4750 1.7618 1.8333 2.1482 2.1867 2.5179 2.5519 2.7250 2.7467 3.4259 3.4359 4.1711 4.1795 4.4172 4.4246 4.9237 4.9306 5.2758 5.2824 7.1405 7.1922 7.4483 7.5048 8.5481 8.5601 8.8930 8.9061 k = 0.5729-0.1600-0.3765 ( 8580 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2332 -9.2328 -8.8760 -8.8756 -7.4718 -7.4716 -6.5771 -6.5771 -0.2525 -0.2498 0.1477 0.1577 1.4783 1.5706 1.8595 1.9257 2.1890 2.2247 2.5551 2.5881 2.7417 2.7650 3.4423 3.4516 4.2281 4.2362 4.4828 4.4891 4.9594 4.9656 5.3013 5.3071 7.0505 7.0995 7.3581 7.4118 8.5857 8.5981 8.9307 8.9442 k = 0.5669-0.1404-0.3414 ( 8582 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2501 -9.2497 -8.8924 -8.8920 -7.4873 -7.4872 -6.5848 -6.5847 -0.2522 -0.2501 0.1380 0.1469 1.5800 1.6663 1.9582 2.0180 2.2277 2.2603 2.5885 2.6219 2.7566 2.7820 3.4533 3.4619 4.2863 4.2941 4.5453 4.5506 4.9953 5.0009 5.3252 5.3302 6.9595 7.0056 7.2669 7.3177 8.6252 8.6377 8.9704 8.9842 k = 0.5608-0.1208-0.3064 ( 8584 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2656 -9.2653 -8.9076 -8.9072 -7.5016 -7.5014 -6.5920 -6.5919 -0.2534 -0.2518 0.1281 0.1358 1.6808 1.7606 2.0564 2.1083 2.2647 2.2939 2.6179 2.6541 2.7700 2.7981 3.4594 3.4672 4.3445 4.3519 4.6038 4.6082 5.0314 5.0365 5.3476 5.3518 6.8687 6.9116 7.1758 7.2234 8.6660 8.6785 9.0114 9.0252 k = 0.5547-0.1011-0.2713 ( 8586 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2798 -9.2795 -8.9214 -8.9211 -7.5146 -7.5145 -6.5985 -6.5985 -0.2555 -0.2543 0.1184 0.1251 1.7790 1.8518 2.1522 2.1944 2.3011 2.3260 2.6431 2.6853 2.7820 2.8136 3.4608 3.4677 4.4012 4.4082 4.6579 4.6614 5.0672 5.0718 5.3687 5.3722 6.7793 6.8190 7.0863 7.1304 8.7073 8.7195 9.0528 9.0663 k = 0.5486-0.0815-0.2362 ( 8568 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1653 -36.1653 -36.1510 -36.1510 -9.2926 -9.2923 -8.9339 -8.9336 -7.5263 -7.5262 -6.6045 -6.6045 -0.2582 -0.2573 0.1091 0.1148 1.8731 1.9380 2.2430 2.2726 2.3389 2.3581 2.6646 2.7163 2.7926 2.8285 3.4580 3.4640 4.4550 4.4615 4.7074 4.7101 5.1018 5.1060 5.3889 5.3917 6.6930 6.7291 6.9996 7.0400 8.7484 8.7600 9.0931 9.1062 k = 0.5425-0.0618-0.2012 ( 8574 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.3039 -9.3036 -8.9449 -8.9447 -7.5367 -7.5366 -6.6099 -6.6098 -0.2613 -0.2606 0.1005 0.1053 1.9609 2.0173 2.3232 2.3359 2.3836 2.3941 2.6832 2.7476 2.8019 2.8431 3.4513 3.4562 4.5045 4.5104 4.7523 4.7543 5.1339 5.1377 5.4085 5.4105 6.6114 6.6437 6.9176 6.9539 8.7882 8.7991 9.1091 9.1231 k = 0.5365-0.0422-0.1661 ( 8572 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.3137 -9.3135 -8.9546 -8.9543 -7.5458 -7.5457 -6.6145 -6.6145 -0.2644 -0.2639 0.0928 0.0968 2.0405 2.0875 2.3775 2.3852 2.4355 2.4444 2.7004 2.7793 2.8106 2.8574 3.4412 3.4449 4.5484 4.5537 4.7930 4.7943 5.1624 5.1657 5.4277 5.4291 6.5362 6.5644 6.8418 6.8738 8.8258 8.8357 9.0712 9.0829 k = 0.5304-0.0226-0.1310 ( 8568 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3221 -9.3219 -8.9627 -8.9626 -7.5535 -7.5534 -6.6186 -6.6185 -0.2673 -0.2670 0.0861 0.0894 2.1094 2.1465 2.4148 2.4229 2.4867 2.5010 2.7179 2.8057 2.8244 2.8719 3.4283 3.4307 4.5860 4.5904 4.8293 4.8302 5.1860 5.1889 5.4462 5.4471 6.4691 6.4931 6.7742 6.8014 8.8601 8.8687 9.0361 9.0455 k = 0.5243-0.0029-0.0960 ( 8546 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3290 -9.3288 -8.9695 -8.9693 -7.5598 -7.5598 -6.6219 -6.6218 -0.2699 -0.2697 0.0805 0.0831 2.1659 2.1932 2.4489 2.4545 2.5277 2.5490 2.7377 2.8150 2.8541 2.8869 3.4134 3.4146 4.6165 4.6201 4.8611 4.8615 5.2044 5.2067 5.4637 5.4642 6.4118 6.4313 6.7165 6.7386 8.8898 8.8969 9.0074 9.0146 k = 0.5182 0.0167-0.0609 ( 8546 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3343 -9.3342 -8.9747 -8.9746 -7.5648 -7.5647 -6.6244 -6.6244 -0.2721 -0.2719 0.0762 0.0781 2.2089 2.2274 2.4803 2.4836 2.5574 2.5809 2.7597 2.8179 2.8862 2.9028 3.3979 3.3980 4.6400 4.6427 4.8875 4.8877 5.2176 5.2193 5.4791 5.4793 6.3659 6.3807 6.6702 6.6871 8.9134 8.9187 8.9864 8.9913 k = 0.5122 0.0363-0.0258 ( 8552 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3382 -9.3381 -8.9784 -8.9784 -7.5683 -7.5683 -6.6263 -6.6263 -0.2737 -0.2736 0.0731 0.0744 2.2388 2.2500 2.5071 2.5085 2.5772 2.5967 2.7809 2.8179 2.9133 2.9189 3.3832 3.3837 4.6566 4.6584 4.9075 4.9076 5.2261 5.2273 5.4912 5.4913 6.3328 6.3428 6.6369 6.6483 8.9290 8.9319 8.9744 8.9768 k = 0.5061 0.0560 0.0092 ( 8548 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3405 -9.3404 -8.9807 -8.9806 -7.5704 -7.5704 -6.6274 -6.6274 -0.2747 -0.2746 0.0714 0.0720 2.2568 2.2620 2.5258 2.5260 2.5896 2.6007 2.7976 2.8151 2.9312 2.9319 3.3729 3.3734 4.6666 4.6675 4.9201 4.9201 5.2309 5.2315 5.4990 5.4990 6.3136 6.3185 6.6176 6.6233 8.9352 8.9361 8.9713 8.9717 k = 0.5000 0.0756 0.0443 ( 8550 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3412 -9.3412 -8.9814 -8.9814 -7.5711 -7.5711 -6.6278 -6.6278 -0.2750 -0.2750 0.0710 0.0710 2.2643 2.2643 2.5325 2.5325 2.5974 2.5974 2.8087 2.8087 2.9372 2.9372 3.3694 3.3694 4.6702 4.6702 4.9244 4.9244 5.2326 5.2326 5.5016 5.5016 6.3087 6.3087 6.6130 6.6130 8.9362 8.9362 8.9714 8.9714 k = 0.5000 0.0756 0.0443 ( 8550 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3412 -9.3412 -8.9814 -8.9814 -7.5711 -7.5711 -6.6278 -6.6278 -0.2750 -0.2750 0.0710 0.0710 2.2643 2.2643 2.5325 2.5325 2.5974 2.5974 2.8087 2.8087 2.9372 2.9372 3.3694 3.3694 4.6702 4.6702 4.9244 4.9244 5.2326 5.2326 5.5016 5.5016 6.3087 6.3087 6.6130 6.6130 8.9362 8.9362 8.9714 8.9714 k = 0.4615 0.0698 0.0409 ( 8549 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3413 -9.3413 -8.9813 -8.9813 -7.5713 -7.5713 -6.6277 -6.6277 -0.2854 -0.2854 0.0850 0.0850 2.2637 2.2637 2.5325 2.5325 2.5903 2.5903 2.7944 2.7944 2.9372 2.9372 3.3904 3.3904 4.6702 4.6702 4.9243 4.9243 5.2327 5.2327 5.5016 5.5016 6.3055 6.3055 6.6124 6.6124 8.9364 8.9364 8.9716 8.9716 k = 0.4231 0.0640 0.0375 ( 8558 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3414 -9.3414 -8.9811 -8.9811 -7.5717 -7.5717 -6.6272 -6.6272 -0.3121 -0.3121 0.1227 0.1227 2.2618 2.2618 2.5325 2.5325 2.5661 2.5661 2.7622 2.7622 2.9373 2.9373 3.4460 3.4460 4.6701 4.6701 4.9243 4.9243 5.2331 5.2331 5.5017 5.5017 6.2957 6.2957 6.6107 6.6107 8.9369 8.9369 8.9721 8.9721 k = 0.3846 0.0582 0.0341 ( 8561 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3416 -9.3416 -8.9808 -8.9808 -7.5723 -7.5723 -6.6266 -6.6266 -0.3476 -0.3476 0.1761 0.1761 2.2577 2.2577 2.5200 2.5200 2.5325 2.5325 2.7317 2.7317 2.9373 2.9373 3.5222 3.5222 4.6700 4.6700 4.9242 4.9242 5.2337 5.2337 5.5017 5.5017 6.2797 6.2797 6.6082 6.6082 8.9377 8.9377 8.9729 8.9729 k = 0.3462 0.0523 0.0307 ( 8558 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3418 -9.3418 -8.9803 -8.9803 -7.5732 -7.5732 -6.6257 -6.6257 -0.3860 -0.3860 0.2391 0.2391 2.2492 2.2492 2.4555 2.4555 2.5325 2.5325 2.7120 2.7120 2.9373 2.9373 3.6082 3.6082 4.6698 4.6698 4.9241 4.9241 5.2346 5.2346 5.5018 5.5018 6.2579 6.2579 6.6052 6.6052 8.9387 8.9387 8.9741 8.9741 k = 0.3077 0.0465 0.0273 ( 8558 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3421 -9.3421 -8.9798 -8.9798 -7.5742 -7.5742 -6.6247 -6.6247 -0.4239 -0.4239 0.3078 0.3078 2.2300 2.2300 2.3879 2.3879 2.5325 2.5325 2.7008 2.7008 2.9373 2.9373 3.6974 3.6974 4.6696 4.6696 4.9240 4.9240 5.2357 5.2357 5.5018 5.5018 6.2309 6.2309 6.6021 6.6021 8.9400 8.9400 8.9754 8.9754 k = 0.2692 0.0407 0.0239 ( 8558 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3424 -9.3424 -8.9792 -8.9792 -7.5753 -7.5753 -6.6236 -6.6236 -0.4594 -0.4594 0.3797 0.3797 2.1869 2.1869 2.3379 2.3379 2.5324 2.5324 2.6944 2.6944 2.9374 2.9374 3.7855 3.7855 4.6693 4.6693 4.9239 4.9239 5.2371 5.2371 5.5019 5.5019 6.1999 6.1999 6.5990 6.5990 8.9414 8.9414 8.9769 8.9769 k = 0.2308 0.0349 0.0205 ( 8567 PWs) bands (ev): -69.5033 -69.5033 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3427 -9.3427 -8.9786 -8.9786 -7.5764 -7.5764 -6.6225 -6.6225 -0.4914 -0.4914 0.4525 0.4525 2.1178 2.1178 2.3133 2.3133 2.5324 2.5324 2.6906 2.6906 2.9374 2.9374 3.8692 3.8692 4.6690 4.6690 4.9238 4.9238 5.2388 5.2388 5.5020 5.5020 6.1663 6.1663 6.5962 6.5962 8.9429 8.9429 8.9785 8.9785 k = 0.1923 0.0291 0.0170 ( 8570 PWs) bands (ev): -69.5033 -69.5033 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3430 -9.3430 -8.9780 -8.9780 -7.5775 -7.5775 -6.6214 -6.6214 -0.5193 -0.5193 0.5240 0.5240 2.0379 2.0379 2.3025 2.3025 2.5324 2.5324 2.6882 2.6882 2.9375 2.9375 3.9460 3.9460 4.6687 4.6687 4.9237 4.9237 5.2406 5.2406 5.5021 5.5021 6.1321 6.1321 6.5939 6.5939 8.9443 8.9443 8.9800 8.9800 k = 0.1538 0.0233 0.0136 ( 8552 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3432 -9.3432 -8.9774 -8.9774 -7.5785 -7.5785 -6.6203 -6.6203 -0.5426 -0.5426 0.5916 0.5916 1.9592 1.9592 2.2972 2.2972 2.5324 2.5324 2.6866 2.6866 2.9375 2.9375 4.0133 4.0133 4.6684 4.6684 4.9236 4.9236 5.2426 5.2426 5.5022 5.5022 6.0993 6.0993 6.5919 6.5919 8.9456 8.9456 8.9814 8.9814 k = 0.1154 0.0174 0.0102 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3435 -9.3435 -8.9770 -8.9770 -7.5794 -7.5794 -6.6195 -6.6195 -0.5610 -0.5610 0.6517 0.6517 1.8888 1.8888 2.2943 2.2943 2.5324 2.5324 2.6856 2.6856 2.9375 2.9375 4.0688 4.0688 4.6680 4.6680 4.9235 4.9235 5.2444 5.2444 5.5022 5.5022 6.0703 6.0703 6.5905 6.5905 8.9468 8.9468 8.9826 8.9826 k = 0.0769 0.0116 0.0068 ( 8555 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3436 -9.3436 -8.9766 -8.9766 -7.5800 -7.5800 -6.6188 -6.6188 -0.5742 -0.5742 0.7001 0.7001 1.8324 1.8324 2.2927 2.2927 2.5324 2.5324 2.6849 2.6849 2.9376 2.9376 4.1103 4.1103 4.6678 4.6678 4.9234 4.9234 5.2460 5.2460 5.5023 5.5023 6.0475 6.0475 6.5894 6.5894 8.9476 8.9476 8.9835 8.9835 k = 0.0385 0.0058 0.0034 ( 8540 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3437 -9.3437 -8.9764 -8.9764 -7.5804 -7.5804 -6.6184 -6.6184 -0.5822 -0.5822 0.7320 0.7320 1.7955 1.7955 2.2919 2.2919 2.5323 2.5323 2.6846 2.6846 2.9376 2.9376 4.1360 4.1360 4.6676 4.6676 4.9234 4.9234 5.2471 5.2471 5.5023 5.5023 6.0328 6.0328 6.5888 6.5888 8.9482 8.9482 8.9840 8.9840 k = 0.0000 0.0000 0.0000 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3438 -9.3438 -8.9763 -8.9763 -7.5806 -7.5806 -6.6183 -6.6183 -0.5849 -0.5849 0.7432 0.7432 1.7827 1.7827 2.2916 2.2916 2.5323 2.5323 2.6845 2.6845 2.9376 2.9376 4.1448 4.1448 4.6675 4.6675 4.9234 4.9234 5.2475 5.2475 5.5023 5.5023 6.0278 6.0278 6.5886 6.5886 8.9484 8.9484 8.9842 8.9842 k = 0.0000 0.0000 0.0000 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3438 -9.3438 -8.9763 -8.9763 -7.5806 -7.5806 -6.6183 -6.6183 -0.5849 -0.5849 0.7432 0.7432 1.7827 1.7827 2.2916 2.2916 2.5323 2.5323 2.6845 2.6845 2.9376 2.9376 4.1448 4.1448 4.6675 4.6675 4.9234 4.9234 5.2475 5.2475 5.5023 5.5023 6.0278 6.0278 6.5886 6.5886 8.9484 8.9484 8.9842 8.9842 k = 0.0061-0.0197-0.0352 ( 8541 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3430 -9.3430 -8.9756 -8.9755 -7.5799 -7.5798 -6.6179 -6.6179 -0.5841 -0.5840 0.7417 0.7433 1.7797 1.7848 2.2861 2.2897 2.5280 2.5280 2.6769 2.6838 2.9328 2.9329 4.1434 4.1443 4.6639 4.6647 4.9190 4.9191 5.2443 5.2460 5.4986 5.4986 6.0366 6.0384 6.5947 6.5981 8.9471 8.9486 8.9841 8.9845 k = 0.0122-0.0395-0.0705 ( 8545 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3407 -9.3406 -8.9733 -8.9733 -7.5777 -7.5777 -6.6168 -6.6168 -0.5817 -0.5815 0.7388 0.7421 1.7757 1.7861 2.2731 2.2803 2.5152 2.5157 2.6606 2.6746 2.9188 2.9197 4.1401 4.1419 4.6538 4.6555 4.9063 4.9068 5.2362 5.2395 5.4881 5.4883 6.0640 6.0677 6.6161 6.6229 8.9410 8.9447 8.9871 8.9895 k = 0.0183-0.0592-0.1057 ( 8547 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3368 -9.3367 -8.9696 -8.9695 -7.5741 -7.5740 -6.6150 -6.6150 -0.5777 -0.5773 0.7344 0.7394 1.7702 1.7867 2.2525 2.2628 2.4952 2.4966 2.6347 2.6566 2.8970 2.8999 4.1349 4.1375 4.6368 4.6396 4.8856 4.8872 5.2225 5.2273 5.4728 5.4735 6.1080 6.1141 6.6520 6.6622 8.9260 8.9321 8.9986 9.0035 k = 0.0244-0.0789-0.1410 ( 8543 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3314 -9.3312 -8.9643 -8.9642 -7.5691 -7.5690 -6.6125 -6.6124 -0.5721 -0.5716 0.7282 0.7350 1.7626 1.7863 2.2243 2.2365 2.4698 2.4726 2.5985 2.6286 2.8696 2.8757 4.1275 4.1310 4.6126 4.6169 4.8579 4.8615 5.2025 5.2086 5.4551 5.4562 6.1664 6.1751 6.7013 6.7148 8.9030 8.9110 9.0187 9.0257 k = 0.0305-0.0987-0.1762 ( 8549 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3244 -9.3242 -8.9576 -8.9574 -7.5626 -7.5625 -6.6092 -6.6092 -0.5650 -0.5643 0.7200 0.7286 1.7518 1.7844 2.1890 2.2010 2.4409 2.4452 2.5519 2.5900 2.8392 2.8492 4.1178 4.1223 4.5810 4.5872 4.8240 4.8303 5.1760 5.1831 5.4367 5.4383 6.2369 6.2483 6.7623 6.7791 8.8739 8.8835 9.0457 9.0544 k = 0.0366-0.1184-0.2114 ( 8541 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3159 -9.3157 -8.9494 -8.9491 -7.5547 -7.5546 -6.6053 -6.6052 -0.5564 -0.5555 0.7094 0.7199 1.7363 1.7803 2.1484 2.1570 2.4093 2.4153 2.4963 2.5414 2.8076 2.8217 4.1055 4.1111 4.5420 4.5508 4.7843 4.7941 5.1436 5.1516 5.4187 5.4207 6.3172 6.3314 6.8334 6.8534 8.8401 8.8509 9.0758 9.0862 k = 0.0428-0.1381-0.2467 ( 8549 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.3060 -9.3057 -8.9397 -8.9394 -7.5455 -7.5454 -6.6007 -6.6006 -0.5464 -0.5454 0.6960 0.7084 1.7142 1.7727 2.1042 2.1075 2.3736 2.3826 2.4355 2.4850 2.7757 2.7935 4.0902 4.0971 4.4963 4.5084 4.7389 4.7526 5.1069 5.1155 5.4013 5.4034 6.4053 6.4223 6.9127 6.9356 8.8026 8.8145 9.0925 9.1052 k = 0.0489-0.1578-0.2819 ( 8551 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.2945 -9.2942 -8.9286 -8.9283 -7.5349 -7.5347 -6.5954 -6.5953 -0.5351 -0.5339 0.6791 0.6935 1.6832 1.7594 2.0510 2.0650 2.3266 2.3456 2.3780 2.4261 2.7435 2.7645 4.0713 4.0798 4.4449 4.4611 4.6875 4.7056 5.0679 5.0769 5.3842 5.3863 6.4994 6.5190 6.9983 7.0241 8.7625 8.7752 9.0716 9.0862 k = 0.0550-0.1776-0.3171 ( 8563 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1653 -36.1653 -36.1510 -36.1510 -9.2816 -9.2813 -8.9161 -8.9158 -7.5229 -7.5228 -6.5895 -6.5895 -0.5227 -0.5211 0.6582 0.6746 1.6416 1.7369 1.9977 2.0286 2.2635 2.2962 2.3330 2.3729 2.7106 2.7343 4.0481 4.0587 4.3894 4.4105 4.6299 4.6525 5.0284 5.0374 5.3666 5.3688 6.5976 6.6198 7.0885 7.1169 8.7206 8.7339 9.0356 9.0509 k = 0.0611-0.1973-0.3524 ( 8567 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2673 -9.2669 -8.9022 -8.9019 -7.5096 -7.5095 -6.5831 -6.5830 -0.5093 -0.5074 0.6327 0.6508 1.5891 1.7007 1.9508 1.9990 2.1928 2.2312 2.2965 2.3290 2.6765 2.7025 4.0198 4.0329 4.3314 4.3585 4.5661 4.5936 4.9896 4.9983 5.3483 5.3506 6.6983 6.7232 7.1814 7.2124 8.6780 8.6916 8.9961 9.0117 k = 0.0672-0.2170-0.3876 ( 8571 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2515 -9.2512 -8.8870 -8.8866 -7.4950 -7.4949 -6.5760 -6.5760 -0.4950 -0.4928 0.6018 0.6215 1.5270 1.6484 1.9133 1.9763 2.1225 2.1588 2.2617 2.2900 2.6406 2.6688 3.9854 4.0015 4.2724 4.3070 4.4965 4.5294 4.9521 4.9603 5.3286 5.3312 6.8003 6.8276 7.2757 7.3090 8.6355 8.6491 8.9559 8.9715 k = 0.0733-0.2368-0.4229 ( 8573 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2345 -9.2340 -8.8705 -8.8701 -7.4792 -7.4791 -6.5685 -6.5684 -0.4803 -0.4776 0.5651 0.5858 1.4578 1.5818 1.8831 1.9587 2.0571 2.0852 2.2268 2.2520 2.6029 2.6329 3.9443 3.9637 4.2140 4.2576 4.4219 4.4614 4.9160 4.9235 5.3075 5.3104 6.9022 6.9320 7.3698 7.4055 8.5939 8.6071 8.9164 8.9317 k = 0.0794-0.2565-0.4581 ( 8579 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2161 -9.2156 -8.8528 -8.8523 -7.4622 -7.4620 -6.5605 -6.5604 -0.4653 -0.4620 0.5221 0.5432 1.3842 1.5051 1.8553 1.9443 1.9999 2.0146 2.1915 2.2138 2.5632 2.5948 3.8965 3.9189 4.1568 4.2113 4.3434 4.3914 4.8809 4.8877 5.2848 5.2882 7.0031 7.0354 7.4627 7.5008 8.5538 8.5665 8.8784 8.8932 k = 0.0855-0.2762-0.4933 ( 8583 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1656 -36.1656 -36.1510 -36.1510 -9.1964 -9.1959 -8.8338 -8.8333 -7.4440 -7.4438 -6.5521 -6.5520 -0.4504 -0.4464 0.4727 0.4933 1.3081 1.4222 1.8254 1.9291 1.9446 1.9594 2.1559 2.1749 2.5213 2.5543 3.8425 3.8673 4.1003 4.1678 4.2625 4.3216 4.8465 4.8525 5.2604 5.2643 7.1019 7.1369 7.5534 7.5938 8.5160 8.5279 8.8427 8.8565 k = 0.0916-0.2960-0.5286 ( 8575 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1656 -36.1656 -36.1510 -36.1510 -9.1756 -9.1751 -8.8137 -8.8131 -7.4247 -7.4245 -6.5432 -6.5431 -0.4363 -0.4313 0.4169 0.4362 1.2312 1.3360 1.7926 1.8825 1.9087 1.9315 2.1203 2.1358 2.4773 2.5117 3.7835 3.8100 4.0430 4.1256 4.1813 4.2542 4.8121 4.8175 5.2344 5.2389 7.1982 7.2358 7.6412 7.6841 8.4811 8.4918 8.8097 8.8224 k = 0.0977-0.3157-0.5638 ( 8579 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1535 -9.1530 -8.7924 -8.7919 -7.4043 -7.4041 -6.5341 -6.5340 -0.4235 -0.4173 0.3553 0.3722 1.1547 1.2487 1.7592 1.8280 1.8792 1.9152 2.0843 2.0985 2.4314 2.4668 3.7212 3.7488 3.9828 4.0754 4.1092 4.1915 4.7775 4.7825 5.2068 5.2118 7.2913 7.3318 7.7255 7.7709 8.4495 8.4589 8.7800 8.7913 k = 0.1038-0.3354-0.5990 ( 8577 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1304 -9.1298 -8.7701 -8.7696 -7.3829 -7.3826 -6.5247 -6.5245 -0.4128 -0.4049 0.2886 0.3021 1.0797 1.1623 1.7281 1.7799 1.8471 1.8986 2.0470 2.0656 2.3837 2.4201 3.6571 3.6851 3.9185 4.0009 4.0623 4.1343 4.7423 4.7471 5.1776 5.1833 7.3807 7.4244 7.8058 7.8541 8.4219 8.4297 8.7539 8.7636 k = 0.1099-0.3552-0.6343 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1658 -36.1658 -36.1511 -36.1511 -9.1062 -9.1057 -8.7468 -8.7463 -7.3605 -7.3602 -6.5150 -6.5149 -0.4052 -0.3952 0.2177 0.2272 1.0072 1.0785 1.7006 1.7382 1.8111 1.8777 2.0099 2.0373 2.3346 2.3718 3.5925 3.6206 3.8502 3.9189 4.0240 4.0825 4.7062 4.7112 5.1469 5.1532 7.4661 7.5133 7.8819 7.9333 8.3986 8.4048 8.7316 8.7396 k = 0.1160-0.3749-0.6695 ( 8599 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0811 -9.0805 -8.7227 -8.7220 -7.3372 -7.3369 -6.5052 -6.5050 -0.4021 -0.3891 0.1431 0.1495 0.9386 0.9990 1.6769 1.7022 1.7701 1.8506 1.9752 2.0122 2.2846 2.3223 3.5284 3.5564 3.7793 3.8369 3.9868 4.0348 4.6692 4.6745 5.1147 5.1216 7.5473 7.5982 7.9536 8.0084 8.3799 8.3850 8.7131 8.7197 k = 0.1221-0.3946-0.7048 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1660 -36.1659 -36.1511 -36.1511 -9.0551 -9.0544 -8.6976 -8.6970 -7.3130 -7.3128 -6.4952 -6.4951 -0.4050 -0.3879 0.0639 0.0727 0.8751 0.9256 1.6545 1.6721 1.7245 1.8173 1.9433 1.9887 2.2341 2.2724 3.4658 3.4934 3.7074 3.7564 3.9494 3.9896 4.6312 4.6370 5.0812 5.0888 7.6238 7.6789 8.0207 8.0792 8.3660 8.3712 8.6982 8.7043 k = 0.1283-0.4144-0.7400 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1660 -36.1660 -36.1511 -36.1511 -9.0282 -9.0275 -8.6718 -8.6712 -7.2881 -7.2878 -6.4852 -6.4851 -0.4156 -0.3931 -0.0180 -0.0021 0.8183 0.8599 1.6268 1.6507 1.6755 1.7803 1.9124 1.9647 2.1841 2.2227 3.4054 3.4322 3.6359 3.6781 3.9114 3.9458 4.5921 4.5985 5.0465 5.0546 7.6953 7.7548 8.0828 8.1455 8.3573 8.3641 8.6864 8.6935 k = 0.1344-0.4341-0.7752 ( 8591 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1661 -36.1661 -36.1511 -36.1511 -9.0006 -8.9999 -8.6453 -8.6446 -7.2625 -7.2622 -6.4752 -6.4751 -0.4357 -0.4064 -0.0996 -0.0746 0.7697 0.8035 1.5898 1.6244 1.6375 1.7440 1.8800 1.9383 2.1356 2.1743 3.3477 3.3734 3.5661 3.6027 3.8724 3.9025 4.5521 4.5591 5.0105 5.0192 7.7613 7.8253 8.1400 8.2069 8.3552 8.3639 8.6778 8.6869 k = 0.1405-0.4538-0.8105 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1661 -36.1661 -36.1511 -36.1511 -8.9723 -8.9717 -8.6182 -8.6175 -7.2362 -7.2359 -6.4653 -6.4651 -0.4667 -0.4295 -0.1790 -0.1441 0.7304 0.7578 1.5418 1.5754 1.6262 1.7124 1.8440 1.9077 2.0896 2.1279 3.2932 3.3174 3.4989 3.5304 3.8324 3.8593 4.5112 4.5188 4.9735 4.9826 7.8215 7.8895 8.1919 8.2630 8.3606 8.3713 8.6721 8.6837 k = 0.1466-0.4735-0.8457 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9435 -8.9428 -8.5906 -8.5899 -7.2094 -7.2091 -6.4555 -6.4553 -0.5090 -0.4640 -0.2543 -0.2100 0.7014 0.7236 1.4853 1.5243 1.6168 1.6875 1.8032 1.8712 2.0471 2.0843 3.2423 3.2643 3.4349 3.4617 3.7915 3.8158 4.4694 4.4776 4.9354 4.9450 7.8756 7.9465 8.2386 8.3122 8.3746 8.3875 8.6686 8.6829 k = 0.1527-0.4933-0.8809 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1663 -36.1663 -36.1511 -36.1511 -8.9142 -8.9135 -8.5626 -8.5619 -7.1821 -7.1817 -6.4459 -6.4457 -0.5613 -0.5105 -0.3241 -0.2728 0.6829 0.7010 1.4242 1.4689 1.6076 1.6683 1.7579 1.8288 2.0083 2.0433 3.1950 3.2143 3.3747 3.3967 3.7498 3.7721 4.4270 4.4357 4.8962 4.9063 7.9234 7.9955 8.2803 8.3519 8.3974 8.4144 8.6667 8.6840 k = 0.1588-0.5130-0.9162 ( 8585 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1663 -36.1663 -36.1511 -36.1511 -8.8846 -8.8838 -8.5343 -8.5335 -7.1544 -7.1540 -6.4366 -6.4364 -0.6215 -0.5677 -0.3886 -0.3338 0.6744 0.6897 1.3606 1.4095 1.5968 1.6521 1.7100 1.7818 1.9724 2.0046 3.1513 3.1675 3.3185 3.3355 3.7074 3.7281 4.3839 4.3932 4.8562 4.8666 7.9652 8.0363 8.3175 8.3815 8.4279 8.4510 8.6655 8.6870 k = 0.1649-0.5327-0.9514 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1664 -36.1664 -36.1511 -36.1511 -8.8547 -8.8539 -8.5057 -8.5050 -7.1264 -7.1260 -6.4276 -6.4273 -0.6869 -0.6324 -0.4495 -0.3939 0.6751 0.6886 1.2955 1.3473 1.5806 1.6312 1.6675 1.7335 1.9382 1.9673 3.1108 3.1241 3.2662 3.2786 3.6648 3.6842 4.3405 4.3503 4.8152 4.8261 8.0017 8.0696 8.3500 8.4039 8.4632 8.4920 8.6653 8.6934 k = 0.1710-0.5525-0.9867 ( 8597 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1511 -36.1511 -8.8246 -8.8238 -8.4770 -8.4763 -7.0982 -7.0978 -6.4189 -6.4187 -0.7551 -0.7012 -0.5087 -0.4538 0.6835 0.6962 1.2300 1.2832 1.5508 1.5936 1.6456 1.6902 1.9046 1.9307 3.0726 3.0845 3.2169 3.2263 3.6224 3.6405 4.2968 4.3071 4.7734 4.7846 8.0335 8.0967 8.3763 8.4192 8.4999 8.5325 8.6690 8.7066 k = 0.1771-0.5722-1.0219 ( 8599 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1511 -36.1511 -8.7945 -8.7937 -8.4484 -8.4476 -7.0698 -7.0694 -6.4106 -6.4104 -0.8243 -0.7713 -0.5672 -0.5136 0.6978 0.7110 1.1650 1.2183 1.5024 1.5482 1.6342 1.6593 1.8708 1.8942 3.0354 3.0495 3.1691 3.1799 3.5806 3.5978 4.2531 4.2638 4.7308 4.7423 8.0617 8.1193 8.3934 8.4251 8.5353 8.5681 8.6837 8.7302 k = 0.1832-0.5919-1.0571 ( 8609 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1666 -36.1666 -36.1512 -36.1511 -8.7644 -8.7637 -8.4198 -8.4190 -7.0414 -7.0410 -6.4029 -6.4026 -0.8931 -0.8408 -0.6252 -0.5729 0.7155 0.7308 1.1019 1.1536 1.4437 1.4950 1.6253 1.6414 1.8366 1.8577 2.9989 3.0181 3.1227 3.1386 3.5401 3.5564 4.2096 4.2207 4.6875 4.6993 8.0868 8.1386 8.3979 8.4197 8.5690 8.5964 8.7158 8.7654 k = 0.1893-0.6117-1.0924 ( 8603 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1512 -8.7346 -8.7338 -8.3915 -8.3907 -7.0131 -7.0126 -6.3956 -6.3953 -0.9604 -0.9086 -0.6826 -0.6312 0.7330 0.7532 1.0438 1.0906 1.3812 1.4357 1.6178 1.6308 1.8020 1.8211 2.9635 2.9891 3.0786 3.1005 3.5017 3.5173 4.1664 4.1779 4.6434 4.6555 8.1091 8.1556 8.3891 8.4034 8.6023 8.6222 8.7624 8.8103 k = 0.1954-0.6314-1.1276 ( 8607 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1512 -8.7050 -8.7043 -8.3634 -8.3627 -6.9849 -6.9844 -6.3889 -6.3886 -1.0256 -0.9737 -0.7389 -0.6879 0.7435 0.7739 0.9964 1.0325 1.3176 1.3732 1.6113 1.6233 1.7672 1.7846 2.9289 2.9609 3.0368 3.0643 3.4663 3.4813 4.1238 4.1356 4.5986 4.6110 8.1289 8.1706 8.3701 8.3785 8.6369 8.6502 8.8168 8.8616 k = 0.2015-0.6511-1.1628 ( 8613 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4473 -36.1668 -36.1668 -36.1512 -36.1512 -8.6759 -8.6752 -8.3359 -8.3351 -6.9570 -6.9565 -6.3827 -6.3824 -1.0880 -1.0358 -0.7935 -0.7426 0.7365 0.7849 0.9691 0.9862 1.2548 1.3096 1.6056 1.6172 1.7329 1.7486 2.8949 2.9319 2.9976 3.0291 3.4346 3.4493 4.0819 4.0941 4.5532 4.5658 8.1455 8.1838 8.3452 8.3484 8.6734 8.6812 8.8734 8.9156 k = 0.2076-0.6709-1.1981 ( 8619 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1668 -36.1668 -36.1512 -36.1512 -8.6474 -8.6466 -8.3089 -8.3081 -6.9294 -6.9289 -6.3772 -6.3769 -1.1472 -1.0943 -0.8460 -0.7948 0.7055 0.7730 0.9606 0.9687 1.1952 1.2464 1.6000 1.6116 1.7000 1.7139 2.8609 2.9004 2.9611 2.9940 3.4074 3.4221 4.0409 4.0535 4.5072 4.5201 8.1581 8.1950 8.3153 8.3195 8.7112 8.7149 8.9179 8.9412 k = 0.2138-0.6906-1.2333 ( 8615 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.6196 -8.6188 -8.2826 -8.2818 -6.9022 -6.9018 -6.3723 -6.3720 -1.2030 -1.1491 -0.8960 -0.8441 0.6563 0.7345 0.9566 0.9844 1.1448 1.1861 1.5932 1.6055 1.6702 1.6817 2.8264 2.8652 2.9275 2.9584 3.3855 3.4005 4.0011 4.0140 4.4606 4.4738 8.1646 8.2029 8.2837 8.2961 8.7468 8.7527 8.8969 8.9027 k = 0.2199-0.7103-1.2686 ( 8619 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.5925 -8.5917 -8.2571 -8.2563 -6.8756 -6.8752 -6.3681 -6.3677 -1.2551 -1.1998 -0.9431 -0.8902 0.5977 0.6806 0.9477 1.0021 1.1165 1.1361 1.5830 1.5964 1.6467 1.6548 2.7907 2.8257 2.8960 2.9223 3.3690 3.3846 3.9624 3.9757 4.4135 4.4270 8.1623 8.2030 8.2594 8.2798 8.7759 8.7907 8.8564 8.8674 k = 0.2260-0.7301-1.3038 ( 8621 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5663 -8.5655 -8.2324 -8.2316 -6.8497 -6.8492 -6.3645 -6.3642 -1.3032 -1.2464 -0.9869 -0.9327 0.5348 0.6204 0.9146 0.9938 1.1167 1.1229 1.5665 1.5805 1.6332 1.6374 2.7532 2.7826 2.8657 2.8860 3.3581 3.3744 3.9251 3.9388 4.3660 4.3798 8.1504 8.1877 8.2510 8.2725 8.7771 8.7955 8.8480 8.8621 k = 0.2321-0.7498-1.3390 ( 8607 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5412 -8.5404 -8.2088 -8.2080 -6.8245 -6.8240 -6.3615 -6.3612 -1.3473 -1.2886 -1.0273 -0.9715 0.4702 0.5578 0.8635 0.9501 1.1388 1.1494 1.5447 1.5584 1.6278 1.6309 2.7133 2.7364 2.8357 2.8503 3.3526 3.3694 3.8892 3.9033 4.3181 4.3322 8.1319 8.1628 8.2537 8.2722 8.7450 8.7554 8.8837 8.8935 k = 0.2382-0.7695-1.3743 ( 8611 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.5173 -8.5164 -8.1863 -8.1855 -6.8001 -6.7996 -6.3592 -6.3589 -1.3872 -1.3265 -1.0640 -1.0064 0.4052 0.4948 0.8053 0.8937 1.1752 1.1863 1.5216 1.5345 1.6271 1.6319 2.6708 2.6877 2.8052 2.8161 3.3520 3.3692 3.8549 3.8693 4.2699 4.2844 8.1110 8.1370 8.2591 8.2755 8.7046 8.7117 8.9238 8.9347 k = 0.2443-0.7892-1.4095 ( 8605 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.4945 -8.4937 -8.1649 -8.1641 -6.7767 -6.7762 -6.3576 -6.3572 -1.4229 -1.3599 -1.0970 -1.0373 0.3406 0.4322 0.7448 0.8344 1.2156 1.2271 1.4998 1.5120 1.6300 1.6368 2.6255 2.6371 2.7740 2.7842 3.3557 3.3731 3.8220 3.8369 4.2215 4.2364 8.0906 8.1133 8.2642 8.2799 8.6635 8.6689 8.9651 8.9774 k = 0.2504-0.8090-1.4447 ( 8613 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4731 -8.4723 -8.1448 -8.1440 -6.7543 -6.7538 -6.3565 -6.3561 -1.4543 -1.3889 -1.1261 -1.0641 0.2770 0.3707 0.6840 0.7752 1.2561 1.2686 1.4808 1.4925 1.6358 1.6448 2.5779 2.5851 2.7429 2.7544 3.3630 3.3804 3.7907 3.8060 4.1729 4.1882 8.0723 8.0930 8.2678 8.2837 8.6243 8.6289 9.0063 9.0193 k = 0.2565-0.8287-1.4800 ( 8617 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4531 -8.4522 -8.1261 -8.1253 -6.7330 -6.7326 -6.3559 -6.3555 -1.4816 -1.4135 -1.1514 -1.0869 0.2147 0.3108 0.6240 0.7170 1.2942 1.3087 1.4658 1.4780 1.6438 1.6553 2.5281 2.5324 2.7129 2.7261 3.3734 3.3906 3.7609 3.7767 4.1243 4.1401 8.0570 8.0767 8.2683 8.2852 8.5894 8.5934 9.0465 9.0593 k = 0.2626-0.8484-1.5152 ( 8625 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4346 -8.4337 -8.1088 -8.1080 -6.7130 -6.7125 -6.3558 -6.3555 -1.5048 -1.4337 -1.1729 -1.1057 0.1542 0.2527 0.5654 0.6605 1.3269 1.3449 1.4565 1.4713 1.6540 1.6682 2.4763 2.4799 2.6847 2.6992 3.3862 3.4030 3.7327 3.7490 4.0756 4.0920 8.0452 8.0646 8.2640 8.2823 8.5615 8.5650 9.0845 9.0965 k = 0.2687-0.8682-1.5505 ( 8623 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1673 -36.1673 -36.1512 -36.1512 -8.4176 -8.4167 -8.0929 -8.0921 -6.6943 -6.6938 -6.3562 -6.3558 -1.5240 -1.4499 -1.1907 -1.1206 0.0959 0.1970 0.5088 0.6062 1.3501 1.3728 1.4562 1.4760 1.6660 1.6832 2.4234 2.4282 2.6587 2.6742 3.4009 3.4172 3.7061 3.7229 4.0271 4.0442 8.0370 8.0571 8.2531 8.2729 8.5433 8.5461 9.1194 9.1299 k = 0.2748-0.8879-1.5857 ( 8631 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.4022 -8.4013 -8.0785 -8.0777 -6.6770 -6.6766 -6.3569 -6.3565 -1.5394 -1.4621 -1.2050 -1.1318 0.0401 0.1439 0.4545 0.5544 1.3624 1.3876 1.4694 1.4932 1.6795 1.6999 2.3706 2.3770 2.6353 2.6513 3.4172 3.4328 3.6812 3.6985 3.9788 3.9967 8.0324 8.0541 8.2347 8.2563 8.5364 8.5384 9.1503 9.1589 k = 0.2809-0.9076-1.6209 ( 8633 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.3885 -8.3875 -8.0657 -8.0648 -6.6612 -6.6608 -6.3579 -6.3574 -1.5513 -1.4706 -1.2159 -1.1395 -0.0127 0.0939 0.4031 0.5056 1.3674 1.3921 1.4933 1.5181 1.6940 1.7176 2.3187 2.3268 2.6149 2.6310 3.4345 3.4494 3.6582 3.6759 3.9309 3.9497 8.0311 8.0555 8.2096 8.2337 8.5403 8.5419 9.1762 9.1826 k = 0.2870-0.9274-1.6562 ( 8631 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.3763 -8.3754 -8.0543 -8.0535 -6.6471 -6.6466 -6.3590 -6.3586 -1.5600 -1.4758 -1.2238 -1.1442 -0.0621 0.0474 0.3550 0.4601 1.3695 1.3931 1.5208 1.5456 1.7091 1.7356 2.2688 2.2783 2.5980 2.6140 3.4525 3.4664 3.6372 3.6552 3.8835 3.9033 8.0317 8.0606 8.1804 8.2085 8.5531 8.5553 9.1964 9.2007 k = 0.2931-0.9471-1.6914 ( 8629 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1673 -36.1513 -36.1512 -8.3658 -8.3649 -8.0445 -8.0437 -6.6346 -6.6342 -6.3602 -6.3598 -1.5657 -1.4780 -1.2290 -1.1460 -0.1076 0.0049 0.3106 0.4185 1.3712 1.3942 1.5480 1.5725 1.7240 1.7529 2.2216 2.2324 2.5848 2.6004 3.4705 3.4835 3.6188 3.6367 3.8368 3.8579 8.0322 8.0673 8.1515 8.1853 8.5730 8.5763 9.2105 9.2129 k = 0.2993-0.9668-1.7267 ( 8633 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3569 -8.3560 -8.0363 -8.0354 -6.6239 -6.6234 -6.3614 -6.3610 -1.5691 -1.4779 -1.2319 -1.1457 -0.1486 -0.0332 0.2705 0.3811 1.3733 1.3961 1.5736 1.5974 1.7375 1.7682 2.1787 2.1904 2.5757 2.5908 3.4869 3.5001 3.6038 3.6214 3.7912 3.8136 8.0282 8.0673 8.1325 8.1698 8.5986 8.6030 9.2180 9.2194 k = 0.3054-0.9866-1.7619 ( 8625 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3497 -8.3487 -8.0295 -8.0286 -6.6149 -6.6145 -6.3626 -6.3621 -1.5704 -1.4759 -1.2330 -1.1436 -0.1845 -0.0663 0.2353 0.3485 1.3760 1.3988 1.5969 1.6200 1.7483 1.7797 2.1418 2.1539 2.5706 2.5851 3.4985 3.5161 3.5929 3.6113 3.7470 3.7709 8.0158 8.0488 8.1365 8.1674 8.6285 8.6341 9.2187 9.2208 k = 0.3115-1.0063-1.7971 ( 8631 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3440 -8.3430 -8.0241 -8.0232 -6.6078 -6.6074 -6.3635 -6.3631 -1.5703 -1.4728 -1.2327 -1.1405 -0.2146 -0.0938 0.2055 0.3212 1.3788 1.4017 1.6173 1.6406 1.7544 1.7859 2.1132 2.1248 2.5696 2.5835 3.5017 3.5303 3.5853 3.6106 3.7056 3.7307 7.9951 8.0193 8.1564 8.1784 8.6617 8.6683 9.2135 9.2166 k = 0.3176-1.0260-1.8324 ( 8637 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3398 -8.3387 -8.0202 -8.0193 -6.6026 -6.6021 -6.3642 -6.3638 -1.5694 -1.4693 -1.2317 -1.1371 -0.2383 -0.1151 0.1818 0.2996 1.3808 1.4039 1.6340 1.6603 1.7537 1.7860 2.0952 2.1053 2.5723 2.5855 3.4965 3.5383 3.5804 3.6198 3.6704 3.6947 7.9695 7.9875 8.1838 8.1998 8.6973 8.7049 9.2030 9.2071 k = 0.3237-1.0458-1.8676 ( 8639 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3370 -8.3360 -8.0176 -8.0167 -6.5991 -6.5987 -6.3647 -6.3643 -1.5681 -1.4662 -1.2304 -1.1341 -0.2547 -0.1296 0.1648 0.2844 1.3813 1.4044 1.6451 1.6798 1.7448 1.7822 2.0888 2.0965 2.5782 2.5908 3.4854 3.5366 3.5724 3.6277 3.6530 3.6702 7.9420 7.9562 8.2158 8.2283 8.7342 8.7430 9.1877 9.1925 k = 0.3298-1.0655-1.9028 ( 8627 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3356 -8.3346 -8.0164 -8.0154 -6.5974 -6.5969 -6.3650 -6.3645 -1.5672 -1.4642 -1.2295 -1.1322 -0.2632 -0.1369 0.1551 0.2759 1.3795 1.4023 1.6478 1.6954 1.7321 1.7796 2.0929 2.0982 2.5867 2.5988 3.4699 3.5234 3.5569 3.6115 3.6662 3.6724 7.9146 7.9262 8.2511 8.2619 8.7715 8.7813 9.1679 9.1734 k = 0.3359-1.0852-1.9381 ( 8635 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3355 -8.3345 -8.0163 -8.0153 -6.5972 -6.5968 -6.3650 -6.3645 -1.5670 -1.4640 -1.2294 -1.1320 -0.2633 -0.1363 0.1531 0.2745 1.3747 1.3969 1.6393 1.6851 1.7401 1.7843 2.1052 2.1085 2.5974 2.6090 3.4502 3.4954 3.5470 3.5903 3.6873 3.6961 7.8881 7.8980 8.2885 8.2989 8.8079 8.8189 9.1439 9.1501 k = 0.6641-1.0096-1.8938 ( 8635 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3355 -8.3345 -8.0163 -8.0153 -6.5972 -6.5968 -6.3650 -6.3645 -1.5670 -1.4640 -1.2294 -1.1320 -0.2633 -0.1363 0.1531 0.2745 1.3747 1.3969 1.6393 1.6851 1.7401 1.7843 2.1052 2.1085 2.5974 2.6090 3.4502 3.4954 3.5470 3.5903 3.6873 3.6961 7.8881 7.8980 8.2885 8.2989 8.8079 8.8189 9.1439 9.1501 k = 0.6580-0.9694-1.8938 ( 8637 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3366 -8.3356 -8.0173 -8.0163 -6.5986 -6.5981 -6.3648 -6.3644 -1.5682 -1.4661 -1.2304 -1.1340 -0.2546 -0.1277 0.1592 0.2806 1.3667 1.3880 1.6202 1.6555 1.7653 1.7982 2.1230 2.1253 2.6097 2.6208 3.4264 3.4602 3.5434 3.5738 3.7146 3.7256 7.8633 7.8719 8.3267 8.3377 8.8417 8.8540 9.1160 9.1229 k = 0.6520-0.9292-1.8938 ( 8645 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3388 -8.3377 -8.0193 -8.0184 -6.6012 -6.6008 -6.3646 -6.3641 -1.5710 -1.4710 -1.2331 -1.1385 -0.2370 -0.1110 0.1735 0.2942 1.3554 1.3756 1.5936 1.6210 1.7956 1.8200 2.1439 2.1466 2.6231 2.6338 3.3989 3.4231 3.5431 3.5634 3.7464 3.7585 7.8401 7.8479 8.3646 8.3767 8.8711 8.8848 9.0842 9.0919 k = 0.6459-0.8890-1.8938 ( 8645 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3419 -8.3409 -8.0222 -8.0213 -6.6050 -6.6046 -6.3643 -6.3638 -1.5756 -1.4787 -1.2374 -1.1458 -0.2104 -0.0860 0.1961 0.3153 1.3411 1.3601 1.5629 1.5849 1.8289 1.8473 2.1667 2.1706 2.6375 2.6477 3.3690 3.3860 3.5456 3.5584 3.7820 3.7947 7.8189 7.8260 8.4003 8.4142 8.8932 8.9083 9.0481 9.0572 k = 0.6398-0.8488-1.8938 ( 8637 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3459 -8.3449 -8.0260 -8.0251 -6.6098 -6.6094 -6.3640 -6.3636 -1.5823 -1.4893 -1.2436 -1.1557 -0.1752 -0.0531 0.2267 0.3439 1.3243 1.3419 1.5302 1.5486 1.8645 1.8785 2.1904 2.1959 2.6526 2.6627 3.3378 3.3495 3.5503 3.5579 3.8211 3.8340 7.7995 7.8062 8.4311 8.4476 8.9041 8.9200 9.0078 9.0194 k = 0.6337-0.8086-1.8938 ( 8641 PWs) bands (ev): -69.5031 -69.5031 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3507 -8.3498 -8.0305 -8.0296 -6.6154 -6.6150 -6.3638 -6.3634 -1.5908 -1.5025 -1.2516 -1.1680 -0.1317 -0.0125 0.2650 0.3796 1.3053 1.3217 1.4970 1.5128 1.9012 1.9120 2.2141 2.2216 2.6688 2.6790 3.3063 3.3141 3.5571 3.5609 3.8636 3.8765 7.7819 7.7883 8.4533 8.4734 8.8984 8.9134 8.9634 8.9799 k = 0.6276-0.7684-1.8938 ( 8645 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3562 -8.3552 -8.0356 -8.0348 -6.6217 -6.6213 -6.3638 -6.3633 -1.6013 -1.5181 -1.2614 -1.1826 -0.0805 0.0354 0.3102 0.4219 1.2848 1.3001 1.4643 1.4784 1.9382 1.9466 2.2375 2.2471 2.6860 2.6969 3.2749 3.2799 3.5656 3.5669 3.9094 3.9222 7.7661 7.7722 8.4616 8.4865 8.8717 8.8833 8.9139 8.9386 k = 0.6216-0.7283-1.8938 ( 8657 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3622 -8.3613 -8.0413 -8.0405 -6.6284 -6.6280 -6.3639 -6.3635 -1.6133 -1.5356 -1.2726 -1.1989 -0.0224 0.0899 0.3618 0.4703 1.2632 1.2774 1.4326 1.4457 1.9743 1.9810 2.2600 2.2719 2.7050 2.7170 3.2438 3.2475 3.5746 3.5761 3.9586 3.9712 7.7518 7.7578 8.4478 8.4793 8.8238 8.8360 8.8569 8.8880 k = 0.6155-0.6881-1.8938 ( 8649 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1674 -36.1674 -36.1513 -36.1513 -8.3687 -8.3678 -8.0474 -8.0466 -6.6356 -6.6352 -6.3641 -6.3638 -1.6267 -1.5545 -1.2852 -1.2167 0.0419 0.1505 0.4186 0.5239 1.2409 1.2542 1.4027 1.4153 2.0083 2.0141 2.2817 2.2956 2.7262 2.7398 3.2131 3.2172 3.5846 3.5875 4.0110 4.0233 7.7391 7.7449 8.4034 8.4424 8.7447 8.7693 8.8084 8.8320 k = 0.6094-0.6479-1.8938 ( 8651 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3755 -8.3746 -8.0538 -8.0530 -6.6430 -6.6426 -6.3646 -6.3642 -1.6413 -1.5745 -1.2989 -1.2355 0.1116 0.2166 0.4798 0.5820 1.2183 1.2308 1.3750 1.3878 2.0391 2.0447 2.3022 2.3179 2.7503 2.7658 3.1832 3.1890 3.5957 3.5998 4.0664 4.0783 7.7275 7.7333 8.3242 8.3699 8.6338 8.6722 8.7755 8.7911 k = 0.6033-0.6077-1.8938 ( 8651 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3825 -8.3817 -8.0604 -8.0597 -6.6506 -6.6502 -6.3652 -6.3649 -1.6565 -1.5952 -1.3133 -1.2550 0.1859 0.2874 0.5440 0.6432 1.1958 1.2076 1.3503 1.3638 2.0661 2.0718 2.3216 2.3384 2.7778 2.7956 3.1546 3.1627 3.6078 3.6129 4.1246 4.1361 7.7171 7.7229 8.2146 8.2651 8.5030 8.5498 8.7521 8.7643 k = 0.5972-0.5675-1.8938 ( 8649 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3897 -8.3889 -8.0672 -8.0665 -6.6582 -6.6578 -6.3661 -6.3658 -1.6723 -1.6161 -1.3282 -1.2748 0.2639 0.3623 0.6096 0.7064 1.1737 1.1848 1.3292 1.3444 2.0887 2.0947 2.3396 2.3568 2.8089 2.8292 3.1275 3.1385 3.6204 3.6264 4.1852 4.1962 7.7075 7.7135 8.0834 8.1364 8.3602 8.4117 8.7332 8.7435 k = 0.5912-0.5273-1.8938 ( 8643 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.3970 -8.3962 -8.0740 -8.0734 -6.6657 -6.6654 -6.3671 -6.3668 -1.6882 -1.6370 -1.3433 -1.2946 0.3447 0.4405 0.6749 0.7696 1.1522 1.1627 1.3130 1.3307 2.1067 2.1129 2.3563 2.3729 2.8431 2.8667 3.1022 3.1171 3.6335 3.6401 4.2478 4.2583 7.6983 7.7047 7.9393 7.9927 8.2108 8.2643 8.7152 8.7245 k = 0.5851-0.4871-1.8938 ( 8641 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1513 -36.1513 -8.4042 -8.4035 -8.0808 -8.0802 -6.6732 -6.6729 -6.3682 -6.3679 -1.7041 -1.6576 -1.3584 -1.3141 0.4273 0.5210 0.7375 0.8308 1.1316 1.1415 1.3032 1.3245 2.1201 2.1265 2.3712 2.3866 2.8791 2.9074 3.0789 3.0995 3.6468 3.6539 4.3119 4.3218 7.6879 7.6959 7.7903 7.8407 8.0586 8.1120 8.6966 8.7052 k = 0.5790-0.4469-1.8938 ( 8637 PWs) bands (ev): -69.5032 -69.5032 -36.4477 -36.4477 -36.1673 -36.1673 -36.1512 -36.1512 -8.4113 -8.4106 -8.0875 -8.0869 -6.6804 -6.6801 -6.3694 -6.3692 -1.7197 -1.6776 -1.3733 -1.3332 0.5104 0.6031 0.7948 0.8871 1.1122 1.1214 1.3022 1.3278 2.1292 2.1357 2.3844 2.3979 2.9140 2.9499 3.0584 3.0880 3.6601 3.6676 4.3769 4.3862 7.6240 7.6738 7.6926 7.6989 7.9069 7.9582 8.6770 8.6850 k = 0.5729-0.4067-1.8938 ( 8623 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1673 -36.1673 -36.1512 -36.1512 -8.4181 -8.4175 -8.0940 -8.0935 -6.6873 -6.6871 -6.3707 -6.3705 -1.7347 -1.6968 -1.3877 -1.3516 0.5926 0.6854 0.8439 0.9356 1.0941 1.1031 1.3125 1.3427 2.1342 2.1410 2.3957 2.4071 2.9422 2.9887 3.0454 3.0871 3.6733 3.6812 4.4421 4.4507 7.4758 7.5277 7.6727 7.6854 7.7611 7.8061 8.6564 8.6640 k = 0.5669-0.3665-1.8938 ( 8631 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4247 -8.4241 -8.1003 -8.0998 -6.6939 -6.6937 -6.3721 -6.3719 -1.7491 -1.7151 -1.4015 -1.3691 0.6717 0.7659 0.8837 0.9739 1.0775 1.0874 1.3361 1.3705 2.1357 2.1428 2.4051 2.4144 2.9573 3.0003 3.0623 3.1021 3.6866 3.6947 4.5067 4.5148 7.3271 7.3758 7.5969 7.6507 7.6791 7.6886 8.6352 8.6424 k = 0.5608-0.3263-1.8938 ( 8627 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4310 -8.4304 -8.1062 -8.1057 -6.7001 -6.6999 -6.3735 -6.3733 -1.7625 -1.7323 -1.4144 -1.3856 0.7445 0.8398 0.9174 1.0013 1.0623 1.0776 1.3729 1.4103 2.1339 2.1417 2.4128 2.4200 2.9593 2.9890 3.1038 3.1317 3.6998 3.7080 4.5701 4.5775 7.1836 7.2291 7.4612 7.5097 7.6721 7.6746 8.6137 8.6206 k = 0.5547-0.2861-1.8938 ( 8615 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4368 -8.4363 -8.1117 -8.1113 -6.7059 -6.7057 -6.3748 -6.3746 -1.7750 -1.7483 -1.4264 -1.4010 0.8065 0.8907 0.9614 1.0150 1.0489 1.0824 1.4201 1.4594 2.1292 2.1379 2.4188 2.4243 2.9540 2.9748 3.1486 3.1689 3.7130 3.7211 4.6313 4.6380 7.0475 7.0895 7.3284 7.3727 7.6660 7.6682 8.5925 8.5989 k = 0.5486-0.2459-1.8938 ( 8619 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4422 -8.4418 -8.1168 -8.1164 -6.7112 -6.7110 -6.3761 -6.3759 -1.7863 -1.7630 -1.4373 -1.4151 0.8530 0.9110 1.0141 1.0162 1.0461 1.1095 1.4737 1.5139 2.1220 2.1319 2.4234 2.4274 2.9459 2.9612 3.1920 3.2079 3.7262 3.7342 4.6896 4.6956 6.9206 6.9589 7.2038 7.2441 7.6606 7.6629 8.5719 8.5778 k = 0.5425-0.2057-1.8938 ( 8627 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4470 -8.4467 -8.1214 -8.1211 -6.7159 -6.7158 -6.3773 -6.3772 -1.7963 -1.7763 -1.4470 -1.4279 0.8823 0.9179 1.0078 1.0175 1.1013 1.1534 1.5297 1.5704 2.1126 2.1240 2.4267 2.4297 2.9373 2.9489 3.2325 3.2454 3.7393 3.7470 4.7439 4.7492 6.8044 6.8388 7.0894 7.1255 7.6559 7.6581 8.5524 8.5578 k = 0.5365-0.1655-1.8938 ( 8621 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4513 -8.4510 -8.1255 -8.1252 -6.7201 -6.7200 -6.3784 -6.3783 -1.8051 -1.7881 -1.4554 -1.4392 0.8981 0.9195 1.0000 1.0079 1.1665 1.2058 1.5851 1.6258 2.1013 2.1145 2.4289 2.4314 2.9291 2.9380 3.2688 3.2795 3.7524 3.7595 4.7934 4.7980 6.7004 6.7306 6.9869 7.0185 7.6517 7.6538 8.5343 8.5391 k = 0.5304-0.1254-1.8938 ( 8621 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4550 -8.4548 -8.1290 -8.1288 -6.7237 -6.7236 -6.3794 -6.3793 -1.8124 -1.7984 -1.4625 -1.4492 0.9057 0.9187 0.9927 0.9989 1.2275 1.2590 1.6374 1.6775 2.0887 2.1038 2.4304 2.4325 2.9218 2.9287 3.3002 3.3091 3.7650 3.7713 4.8372 4.8411 6.6101 6.6358 6.8976 6.9245 7.6481 7.6499 8.5181 8.5222 k = 0.5243-0.0852-1.8938 ( 8621 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4581 -8.4579 -8.1319 -8.1317 -6.7266 -6.7265 -6.3803 -6.3802 -1.8182 -1.8071 -1.4681 -1.4576 0.9088 0.9168 0.9865 0.9912 1.2819 1.3077 1.6849 1.7233 2.0757 2.0921 2.4313 2.4331 2.9158 2.9210 3.3263 3.3333 3.7767 3.7821 4.8745 4.8776 6.5346 6.5556 6.8229 6.8448 7.6451 7.6466 8.5042 8.5076 k = 0.5182-0.0450-1.8938 ( 8610 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4605 -8.4603 -8.1342 -8.1340 -6.7289 -6.7289 -6.3809 -6.3809 -1.8225 -1.8142 -1.4723 -1.4644 0.9097 0.9147 0.9817 0.9851 1.3278 1.3482 1.7261 1.7605 2.0636 2.0800 2.4319 2.4334 2.9111 2.9149 3.3467 3.3520 3.7870 3.7911 4.9044 4.9068 6.4752 6.4911 6.7641 6.7808 7.6427 7.6439 8.4930 8.4957 k = 0.5122-0.0048-1.8938 ( 8610 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4622 -8.4621 -8.1358 -8.1357 -6.7306 -6.7306 -6.3814 -6.3814 -1.8252 -1.8197 -1.4749 -1.4697 0.9099 0.9127 0.9783 0.9805 1.3634 1.3778 1.7600 1.7868 2.0543 2.0683 2.4323 2.4334 2.9079 2.9103 3.3615 3.3650 3.7951 3.7980 4.9265 4.9281 6.4328 6.4435 6.7221 6.7334 7.6411 7.6419 8.4849 8.4867 k = 0.5061 0.0354-1.8938 ( 8600 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4633 -8.4632 -8.1368 -8.1368 -6.7316 -6.7316 -6.3817 -6.3817 -1.8263 -1.8235 -1.4760 -1.4734 0.9099 0.9112 0.9765 0.9775 1.3872 1.3946 1.7850 1.8000 2.0498 2.0582 2.4327 2.4332 2.9062 2.9074 3.3706 3.3724 3.8006 3.8021 4.9401 4.9409 6.4081 6.4135 6.6977 6.7034 7.6401 7.6406 8.4801 8.4810 k = 0.5000 0.0756-1.8938 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1371 -8.1371 -6.7319 -6.7319 -6.3818 -6.3818 -1.8257 -1.8257 -1.4755 -1.4755 0.9103 0.9103 0.9762 0.9762 1.3978 1.3978 1.7990 1.7990 2.0514 2.0514 2.4330 2.4330 2.9060 2.9060 3.3743 3.3743 3.8030 3.8030 4.9449 4.9449 6.4017 6.4017 6.6915 6.6915 7.6400 7.6400 8.4788 8.4788 k = 0.5000 0.0756-1.8938 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1371 -8.1371 -6.7319 -6.7319 -6.3818 -6.3818 -1.8257 -1.8257 -1.4755 -1.4755 0.9103 0.9103 0.9762 0.9762 1.3978 1.3978 1.7990 1.7990 2.0514 2.0514 2.4330 2.4330 2.9060 2.9060 3.3743 3.3743 3.8030 3.8030 4.9449 4.9449 6.4017 6.4017 6.6915 6.6915 7.6400 7.6400 8.4788 8.4788 k = 0.5328 0.0806-1.8849 ( 8594 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1371 -6.7320 -6.7320 -6.3818 -6.3818 -1.8258 -1.8257 -1.4754 -1.4753 0.9112 0.9122 0.9761 0.9774 1.3977 1.3979 1.7982 1.7994 2.0439 2.0452 2.4354 2.4367 2.9063 2.9076 3.3763 3.3767 3.8030 3.8032 4.9448 4.9448 6.4007 6.4014 6.6902 6.6913 7.6410 7.6416 8.4725 8.4728 k = 0.5656 0.0855-1.8760 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4637 -8.4637 -8.1372 -8.1372 -6.7321 -6.7321 -6.3817 -6.3817 -1.8260 -1.8258 -1.4752 -1.4749 0.9147 0.9169 0.9772 0.9798 1.3975 1.3979 1.7968 1.7994 2.0241 2.0268 2.4428 2.4452 2.9089 2.9113 3.3825 3.3833 3.8032 3.8036 4.9445 4.9446 6.3986 6.4000 6.6876 6.6898 7.6446 7.6458 8.4543 8.4548 k = 0.5985 0.0905-1.8672 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4638 -8.4638 -8.1374 -8.1373 -6.7323 -6.7322 -6.3817 -6.3817 -1.8262 -1.8259 -1.4748 -1.4744 0.9208 0.9243 0.9794 0.9834 1.3972 1.3979 1.7947 1.7988 1.9947 1.9989 2.4523 2.4556 2.9147 2.9180 3.3924 3.3934 3.8037 3.8042 4.9441 4.9442 6.3955 6.3975 6.6839 6.6869 7.6507 7.6524 8.4256 8.4264 k = 0.6313 0.0955-1.8583 ( 8590 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4640 -8.4640 -8.1375 -8.1375 -6.7325 -6.7325 -6.3816 -6.3816 -1.8265 -1.8260 -1.4742 -1.4736 0.9293 0.9342 0.9826 0.9882 1.3968 1.3978 1.7913 1.7976 1.9591 1.9650 2.4609 2.4648 2.9247 2.9286 3.4048 3.4061 3.8043 3.8050 4.9435 4.9436 6.3917 6.3942 6.6791 6.6829 7.6591 7.6613 8.3887 8.3896 k = 0.6641 0.1004-1.8494 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4643 -8.4642 -8.1378 -8.1377 -6.7328 -6.7328 -6.3816 -6.3815 -1.8267 -1.8262 -1.4734 -1.4728 0.9398 0.9465 0.9867 0.9943 1.3963 1.3976 1.7859 1.7952 1.9202 1.9288 2.4665 2.4706 2.9394 2.9437 3.4188 3.4202 3.8052 3.8059 4.9428 4.9430 6.3873 6.3902 6.6736 6.6780 7.6694 7.6720 8.3456 8.3467 k = 0.6641 0.1004-1.8494 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4643 -8.4642 -8.1378 -8.1377 -6.7328 -6.7328 -6.3816 -6.3815 -1.8267 -1.8262 -1.4734 -1.4728 0.9398 0.9465 0.9867 0.9943 1.3963 1.3976 1.7859 1.7952 1.9202 1.9288 2.4665 2.4706 2.9394 2.9437 3.4188 3.4202 3.8052 3.8059 4.9428 4.9430 6.3873 6.3902 6.6736 6.6780 7.6694 7.6720 8.3456 8.3467 k = 0.6606 0.0999-1.8091 ( 8601 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4673 -8.4672 -8.1406 -8.1405 -6.7364 -6.7363 -6.3811 -6.3811 -1.8208 -1.8194 -1.4660 -1.4642 0.9403 0.9475 0.9910 0.9993 1.3978 1.3996 1.7849 1.7980 1.9070 1.9187 2.4776 2.4803 2.9376 2.9399 3.4280 3.4293 3.8072 3.8078 4.9442 4.9444 6.3882 6.3911 6.6781 6.6826 7.6742 7.6763 8.3542 8.3547 k = 0.6571 0.0994-1.7689 ( 8611 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4728 -8.4726 -8.1458 -8.1456 -6.7427 -6.7426 -6.3805 -6.3803 -1.8092 -1.8069 -1.4527 -1.4499 0.9399 0.9469 1.0001 1.0085 1.4010 1.4032 1.7830 1.8011 1.8889 1.9047 2.4930 2.4941 2.9380 2.9382 3.4414 3.4427 3.8109 3.8113 4.9468 4.9469 6.3915 6.3943 6.6856 6.6900 7.6815 7.6831 8.3690 8.3691 k = 0.6536 0.0988-1.7286 ( 8612 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4806 -8.4804 -8.1532 -8.1529 -6.7517 -6.7515 -6.3796 -6.3795 -1.7919 -1.7888 -1.4336 -1.4297 0.9388 0.9454 1.0130 1.0214 1.4056 1.4083 1.7784 1.8030 1.8686 1.8900 2.5100 2.5106 2.9401 2.9421 3.4583 3.4595 3.8163 3.8165 4.9504 4.9505 6.3972 6.3999 6.6959 6.7002 7.6912 7.6924 8.3892 8.3900 k = 0.6501 0.0983-1.6883 ( 8616 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4908 -8.4905 -8.1627 -8.1624 -6.7632 -6.7629 -6.3787 -6.3785 -1.7690 -1.7651 -1.4088 -1.4038 0.9373 0.9434 1.0291 1.0374 1.4118 1.4150 1.7689 1.7991 1.8526 1.8783 2.5263 2.5286 2.9471 2.9512 3.4778 3.4790 3.8233 3.8234 4.9552 4.9553 6.4054 6.4079 6.7091 6.7132 7.7035 7.7042 8.4152 8.4166 k = 0.6466 0.0978-1.6480 ( 8610 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.5032 -8.5029 -8.1743 -8.1740 -6.7769 -6.7766 -6.3780 -6.3778 -1.7407 -1.7359 -1.3785 -1.3723 0.9352 0.9409 1.0476 1.0560 1.4195 1.4231 1.7533 1.7834 1.8484 1.8729 2.5412 2.5452 2.9603 2.9664 3.4993 3.5005 3.8319 3.8320 4.9610 4.9611 6.4161 6.4183 6.7251 6.7289 7.7185 7.7187 8.4466 8.4486 k = 0.6432 0.0973-1.6077 ( 8608 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1671 -36.1671 -36.1512 -36.1512 -8.5177 -8.5173 -8.1880 -8.1876 -6.7927 -6.7924 -6.3775 -6.3773 -1.7071 -1.7013 -1.3427 -1.3353 0.9325 0.9377 1.0679 1.0765 1.4285 1.4327 1.7329 1.7599 1.8539 1.8739 2.5541 2.5595 2.9805 2.9883 3.5221 3.5233 3.8421 3.8423 4.9679 4.9679 6.4294 6.4313 6.7438 6.7474 7.7361 7.7363 8.4830 8.4854 k = 0.6397 0.0967-1.5674 ( 8614 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5342 -8.5338 -8.2035 -8.2030 -6.8104 -6.8100 -6.3774 -6.3771 -1.6683 -1.6616 -1.3016 -1.2930 0.9290 0.9339 1.0889 1.0979 1.4391 1.4435 1.7110 1.7354 1.8640 1.8801 2.5647 2.5712 3.0075 3.0168 3.5458 3.5470 3.8538 3.8543 4.9758 4.9758 6.4452 6.4468 6.7653 6.7685 7.7564 7.7571 8.5238 8.5267 k = 0.6362 0.0962-1.5271 ( 8607 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5526 -8.5521 -8.2208 -8.2203 -6.8297 -6.8293 -6.3778 -6.3775 -1.6245 -1.6168 -1.2553 -1.2455 0.9245 0.9290 1.1093 1.1188 1.4511 1.4556 1.6909 1.7137 1.8769 1.8901 2.5738 2.5810 3.0407 3.0511 3.5698 3.5710 3.8672 3.8679 4.9846 4.9847 6.4636 6.4649 6.7893 6.7921 7.7799 7.7811 8.5686 8.5720 k = 0.6327 0.0957-1.4868 ( 8605 PWs) bands (ev): -69.5032 -69.5032 -36.4475 -36.4475 -36.1670 -36.1670 -36.1512 -36.1512 -8.5727 -8.5721 -8.2398 -8.2393 -6.8505 -6.8501 -6.3788 -6.3785 -1.5760 -1.5673 -1.2042 -1.1930 0.9191 0.9231 1.1275 1.1375 1.4649 1.4691 1.6757 1.6972 1.8918 1.9029 2.5822 2.5898 3.0790 3.0903 3.5939 3.5951 3.8821 3.8830 4.9944 4.9945 6.4846 6.4854 6.8159 6.8183 7.8068 7.8083 8.6169 8.6207 k = 0.6292 0.0951-1.4465 ( 8592 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.5943 -8.5938 -8.2603 -8.2597 -6.8725 -6.8721 -6.3804 -6.3801 -1.5230 -1.5131 -1.1483 -1.1357 0.9126 0.9159 1.1415 1.1517 1.4809 1.4842 1.6679 1.6882 1.9085 1.9181 2.5908 2.5986 3.1214 3.1333 3.6180 3.6191 3.8986 3.8997 5.0051 5.0052 6.5081 6.5086 6.8449 6.8468 7.8370 7.8389 8.6681 8.6723 k = 0.6257 0.0946-1.4062 ( 8593 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1669 -36.1669 -36.1512 -36.1512 -8.6175 -8.6169 -8.2822 -8.2816 -6.8958 -6.8953 -6.3828 -6.3825 -1.4657 -1.4547 -1.0880 -1.0739 0.9049 0.9074 1.1495 1.1596 1.4996 1.5013 1.6698 1.6882 1.9270 1.9353 2.6007 2.6084 3.1669 3.1792 3.6418 3.6429 3.9166 3.9179 5.0166 5.0167 6.5342 6.5342 6.8763 6.8777 7.8706 7.8730 8.7217 8.7263 k = 0.6222 0.0941-1.3659 ( 8591 PWs) bands (ev): -69.5032 -69.5032 -36.4474 -36.4474 -36.1668 -36.1668 -36.1512 -36.1512 -8.6418 -8.6412 -8.3054 -8.3047 -6.9199 -6.9195 -6.3859 -6.3856 -1.4045 -1.3923 -1.0235 -1.0079 0.8961 0.8976 1.1507 1.1598 1.5211 1.5212 1.6822 1.6982 1.9470 1.9545 2.6125 2.6200 3.2144 3.2272 3.6653 3.6663 3.9361 3.9376 5.0289 5.0290 6.5622 6.5627 6.9099 6.9108 7.9077 7.9104 8.7771 8.7820 k = 0.6187 0.0936-1.3256 ( 8588 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1668 -36.1668 -36.1512 -36.1512 -8.6673 -8.6667 -8.3296 -8.3290 -6.9449 -6.9445 -6.3898 -6.3895 -1.3397 -1.3262 -0.9552 -0.9379 0.8863 0.8863 1.1453 1.1525 1.5435 1.5455 1.7052 1.7184 1.9685 1.9754 2.6268 2.6338 3.2634 3.2765 3.6886 3.6895 3.9570 3.9588 5.0420 5.0421 6.5926 6.5935 6.9457 6.9460 7.9481 7.9512 8.8337 8.8388 k = 0.6152 0.0930-1.2853 ( 8592 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1512 -36.1511 -8.6938 -8.6931 -8.3548 -8.3542 -6.9706 -6.9701 -6.3944 -6.3941 -1.2716 -1.2569 -0.8832 -0.8642 0.8737 0.8756 1.1346 1.1391 1.5680 1.5717 1.7382 1.7484 1.9915 1.9980 2.6439 2.6503 3.3132 3.3266 3.7118 3.7126 3.9794 3.9813 5.0557 5.0558 6.6253 6.6267 6.9832 6.9836 7.9916 7.9951 8.8906 8.8960 k = 0.6117 0.0925-1.2450 ( 8588 PWs) bands (ev): -69.5032 -69.5032 -36.4473 -36.4473 -36.1667 -36.1667 -36.1511 -36.1511 -8.7210 -8.7203 -8.3808 -8.3801 -6.9967 -6.9963 -6.3997 -6.3995 -1.2008 -1.1847 -0.8080 -0.7873 0.8599 0.8642 1.1203 1.1214 1.5940 1.5990 1.7797 1.7874 2.0161 2.0223 2.6639 2.6697 3.3632 3.3768 3.7353 3.7358 4.0031 4.0053 5.0700 5.0702 6.6600 6.6621 7.0222 7.0233 8.0381 8.0421 8.9471 8.9527 k = 0.6082 0.0920-1.2048 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1666 -36.1666 -36.1511 -36.1511 -8.7489 -8.7482 -8.4075 -8.4068 -7.0233 -7.0229 -6.4058 -6.4056 -1.1276 -1.1102 -0.7300 -0.7076 0.8449 0.8525 1.1014 1.1046 1.6210 1.6269 1.8283 1.8339 2.0422 2.0483 2.6872 2.6921 3.4129 3.4267 3.7594 3.7597 4.0282 4.0306 5.0849 5.0850 6.6968 6.6994 7.0629 7.0647 8.0873 8.0917 9.0023 9.0081 k = 0.6047 0.0915-1.1645 ( 8598 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1666 -36.1666 -36.1511 -36.1511 -8.7773 -8.7766 -8.4347 -8.4340 -7.0502 -7.0498 -6.4125 -6.4123 -1.0527 -1.0341 -0.6496 -0.6256 0.8292 0.8408 1.0810 1.0892 1.6489 1.6553 1.8823 1.8863 2.0699 2.0761 2.7135 2.7176 3.4616 3.4757 3.7846 3.7847 4.0546 4.0572 5.1001 5.1003 6.7353 6.7386 7.1051 7.1077 8.1388 8.1436 9.0550 9.0609 k = 0.6013 0.0909-1.1242 ( 8588 PWs) bands (ev): -69.5032 -69.5032 -36.4472 -36.4472 -36.1665 -36.1665 -36.1511 -36.1511 -8.8060 -8.8053 -8.4622 -8.4615 -7.0773 -7.0769 -6.4199 -6.4196 -0.9768 -0.9569 -0.5672 -0.5418 0.8128 0.8295 1.0618 1.0757 1.6775 1.6843 1.9398 1.9426 2.0993 2.1059 2.7431 2.7460 3.5089 3.5230 3.8116 3.8117 4.0823 4.0851 5.1158 5.1160 6.7754 6.7794 7.1485 7.1519 8.1922 8.1975 9.1040 9.1099 k = 0.5978 0.0904-1.0839 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1664 -36.1664 -36.1511 -36.1511 -8.8349 -8.8342 -8.4900 -8.4893 -7.1044 -7.1040 -6.4278 -6.4276 -0.9005 -0.8795 -0.4835 -0.4571 0.7964 0.8192 1.0453 1.0658 1.7070 1.7139 1.9989 2.0010 2.1310 2.1381 2.7757 2.7775 3.5539 3.5678 3.8414 3.8415 4.1112 4.1142 5.1318 5.1320 6.8167 6.8216 7.1929 7.1973 8.2468 8.2527 9.1477 9.1536 k = 0.5943 0.0899-1.0436 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1664 -36.1664 -36.1511 -36.1511 -8.8639 -8.8632 -8.5179 -8.5172 -7.1315 -7.1311 -6.4362 -6.4360 -0.8246 -0.8029 -0.3992 -0.3722 0.7805 0.8105 1.0329 1.0606 1.7371 1.7441 2.0575 2.0594 2.1657 2.1738 2.8115 2.8119 3.5959 3.6095 3.8749 3.8749 4.1414 4.1446 5.1479 5.1482 6.8590 6.8647 7.2378 7.2433 8.3020 8.3085 9.1845 9.1904 k = 0.5908 0.0893-1.0033 ( 8591 PWs) bands (ev): -69.5032 -69.5032 -36.4471 -36.4471 -36.1663 -36.1663 -36.1511 -36.1511 -8.8929 -8.8922 -8.5458 -8.5451 -7.1584 -7.1580 -6.4451 -6.4449 -0.7502 -0.7279 -0.3149 -0.2882 0.7659 0.8042 1.0260 1.0614 1.7680 1.7750 2.1129 2.1149 2.2049 2.2144 2.8492 2.8503 3.6345 3.6475 3.9125 3.9129 4.1727 4.1762 5.1642 5.1644 6.9018 6.9085 7.2830 7.2896 8.3570 8.3643 9.2129 9.2187 k = 0.5873 0.0888-0.9630 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9216 -8.9209 -8.5736 -8.5729 -7.1851 -7.1847 -6.4543 -6.4541 -0.6782 -0.6558 -0.2318 -0.2065 0.7539 0.8015 1.0260 1.0694 1.7996 1.8066 2.1625 2.1649 2.2501 2.2610 2.8895 2.8921 3.6695 3.6817 3.9548 3.9557 4.2053 4.2091 5.1805 5.1808 6.9446 6.9524 7.3278 7.3357 8.4109 8.4190 9.2313 9.2370 k = 0.5838 0.0883-0.9227 ( 8601 PWs) bands (ev): -69.5032 -69.5032 -36.4470 -36.4470 -36.1662 -36.1662 -36.1511 -36.1511 -8.9501 -8.9494 -8.6011 -8.6004 -7.2114 -7.2111 -6.4638 -6.4636 -0.6098 -0.5878 -0.1511 -0.1288 0.7458 0.8037 1.0342 1.0854 1.8318 1.8387 2.2062 2.2086 2.3008 2.3127 2.9328 2.9370 3.7014 3.7125 4.0016 4.0032 4.2392 4.2433 5.1967 5.1970 6.9869 6.9960 7.3715 7.3809 8.4624 8.4716 9.2387 9.2445 k = 0.5803 0.0878-0.8824 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1661 -36.1661 -36.1511 -36.1511 -8.9781 -8.9775 -8.6282 -8.6275 -7.2373 -7.2370 -6.4736 -6.4734 -0.5460 -0.5249 -0.0747 -0.0570 0.7438 0.8127 1.0517 1.1104 1.8645 1.8714 2.2454 2.2478 2.3541 2.3668 2.9789 2.9848 3.7308 3.7409 4.0524 4.0547 4.2745 4.2789 5.2128 5.2131 7.0278 7.0383 7.4132 7.4243 8.5102 8.5207 9.2348 9.2411 k = 0.5768 0.0872-0.8421 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1660 -36.1660 -36.1511 -36.1511 -9.0057 -9.0050 -8.6548 -8.6542 -7.2627 -7.2624 -6.4835 -6.4834 -0.4878 -0.4682 -0.0048 0.0068 0.7503 0.8306 1.0795 1.1448 1.8976 1.9045 2.2820 2.2844 2.4070 2.4204 3.0277 3.0351 3.7588 3.7679 4.1062 4.1092 4.3115 4.3162 5.2286 5.2289 7.0664 7.0787 7.4519 7.4650 8.5525 8.5647 9.2203 9.2277 k = 0.5733 0.0867-0.8018 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4469 -36.4469 -36.1660 -36.1660 -36.1511 -36.1511 -9.0326 -9.0320 -8.6809 -8.6803 -7.2875 -7.2872 -6.4936 -6.4934 -0.4362 -0.4184 0.0560 0.0604 0.7682 0.8594 1.1181 1.1890 1.9310 1.9379 2.3171 2.3197 2.4576 2.4716 3.0787 3.0874 3.7866 3.7948 4.1621 4.1657 4.3504 4.3556 5.2441 5.2444 7.1016 7.1159 7.4861 7.5016 8.5876 8.6017 9.1971 9.2065 k = 0.5698 0.0862-0.7615 ( 8589 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0588 -9.0582 -8.7064 -8.7057 -7.3116 -7.3114 -6.5036 -6.5035 -0.3915 -0.3760 0.1028 0.1053 0.8001 0.9005 1.1677 1.2428 1.9647 1.9715 2.3512 2.3542 2.5046 2.5192 3.1310 3.1408 3.8155 3.8229 4.2188 4.2228 4.3920 4.3975 5.2592 5.2595 7.1319 7.1486 7.5141 7.5323 8.6135 8.6298 9.1682 9.1806 k = 0.5663 0.0856-0.7212 ( 8590 PWs) bands (ev): -69.5032 -69.5032 -36.4468 -36.4468 -36.1659 -36.1659 -36.1511 -36.1511 -9.0843 -9.0837 -8.7311 -8.7304 -7.3350 -7.3348 -6.5137 -6.5135 -0.3541 -0.3408 0.1335 0.1416 0.8475 0.9544 1.2279 1.3058 1.9984 2.0052 2.3845 2.3882 2.5475 2.5626 3.1835 3.1942 3.8467 3.8534 4.2748 4.2791 4.4369 4.4427 5.2737 5.2741 7.1557 7.1751 7.5339 7.5553 8.6292 8.6474 9.1369 9.1530 k = 0.5628 0.0851-0.6810 ( 8570 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1658 -36.1658 -36.1511 -36.1511 -9.1089 -9.1083 -8.7549 -8.7543 -7.3576 -7.3574 -6.5236 -6.5235 -0.3238 -0.3127 0.1535 0.1653 0.9100 1.0201 1.2979 1.3772 2.0321 2.0388 2.4170 2.4217 2.5861 2.6016 3.2346 3.2459 3.8814 3.8876 4.3289 4.3332 4.4860 4.4919 5.2878 5.2882 7.1710 7.1937 7.5432 7.5683 8.6350 8.6545 9.1056 9.1254 k = 0.5594 0.0846-0.6407 ( 8568 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1325 -9.1319 -8.7779 -8.7773 -7.3793 -7.3791 -6.5333 -6.5332 -0.3000 -0.2910 0.1645 0.1781 0.9858 1.0960 1.3768 1.4560 2.0656 2.0723 2.4488 2.4547 2.6205 2.6365 3.2828 3.2944 3.9207 3.9266 4.3799 4.3838 4.5399 4.5457 5.3011 5.3016 7.1758 7.2020 7.5400 7.5692 8.6337 8.6533 9.0757 9.0981 k = 0.5559 0.0841-0.6004 ( 8564 PWs) bands (ev): -69.5032 -69.5032 -36.4467 -36.4467 -36.1657 -36.1657 -36.1510 -36.1510 -9.1551 -9.1546 -8.7999 -8.7994 -7.4001 -7.3999 -6.5429 -6.5428 -0.2821 -0.2749 0.1686 0.1825 1.0721 1.1801 1.4631 1.5410 2.0989 2.1054 2.4796 2.4871 2.6510 2.6674 3.3264 3.3380 3.9655 3.9712 4.4274 4.4307 4.5983 4.6038 5.3139 5.3144 7.1680 7.1981 7.5226 7.5561 8.6295 8.6478 9.0484 9.0710 k = 0.5524 0.0835-0.5601 ( 8568 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1656 -36.1656 -36.1510 -36.1510 -9.1767 -9.1762 -8.8209 -8.8204 -7.4199 -7.4197 -6.5521 -6.5520 -0.2693 -0.2636 0.1674 0.1808 1.1662 1.2706 1.5554 1.6309 2.1317 2.1381 2.5092 2.5189 2.6778 2.6949 3.3642 3.3755 4.0161 4.0218 4.4716 4.4742 4.6602 4.6653 5.3260 5.3265 7.1463 7.1801 7.4904 7.5280 8.6268 8.6426 9.0258 9.0463 k = 0.5489 0.0830-0.5198 ( 8570 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1656 -36.1656 -36.1510 -36.1510 -9.1971 -9.1966 -8.8407 -8.8403 -7.4386 -7.4384 -6.5610 -6.5609 -0.2607 -0.2562 0.1627 0.1751 1.2656 1.3654 1.6522 1.7244 2.1641 2.1703 2.5375 2.5500 2.7014 2.7194 3.3956 3.4064 4.0722 4.0779 4.5130 4.5149 4.7243 4.7290 5.3375 5.3381 7.1100 7.1470 7.4440 7.4853 8.6290 8.6415 9.0109 9.0278 k = 0.5454 0.0825-0.4795 ( 8569 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2163 -9.2159 -8.8595 -8.8590 -7.4563 -7.4561 -6.5695 -6.5695 -0.2555 -0.2520 0.1555 0.1667 1.3684 1.4629 1.7521 1.8201 2.1958 2.2018 2.5643 2.5802 2.7221 2.7414 3.4203 3.4305 4.1328 4.1387 4.5523 4.5536 4.7891 4.7936 5.3485 5.3491 7.0598 7.0993 7.3851 7.4290 8.6377 8.6467 9.0060 9.0188 k = 0.5419 0.0819-0.4392 ( 8574 PWs) bands (ev): -69.5032 -69.5032 -36.4466 -36.4466 -36.1655 -36.1655 -36.1510 -36.1510 -9.2343 -9.2339 -8.8770 -8.8766 -7.4728 -7.4726 -6.5776 -6.5775 -0.2530 -0.2504 0.1468 0.1568 1.4728 1.5617 1.8537 1.9165 2.2270 2.2326 2.5894 2.6098 2.7403 2.7613 3.4385 3.4480 4.1966 4.2027 4.5901 4.5908 4.8533 4.8576 5.3591 5.3597 6.9975 7.0382 7.3161 7.3615 8.6534 8.6591 9.0119 9.0207 k = 0.5384 0.0814-0.3989 ( 8584 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2510 -9.2506 -8.8933 -8.8929 -7.4881 -7.4880 -6.5852 -6.5852 -0.2526 -0.2505 0.1373 0.1461 1.5771 1.6601 1.9556 2.0123 2.2575 2.2627 2.6125 2.6385 2.7563 2.7796 3.4508 3.4595 4.2619 4.2682 4.6266 4.6268 4.9157 4.9199 5.3695 5.3702 6.9258 6.9666 7.2397 7.2852 8.6754 8.6783 9.0276 9.0330 k = 0.5349 0.0809-0.3586 ( 8585 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2664 -9.2660 -8.9083 -8.9080 -7.5023 -7.5021 -6.5923 -6.5922 -0.2536 -0.2521 0.1275 0.1352 1.6799 1.7566 2.0562 2.1056 2.2878 2.2923 2.6336 2.6668 2.7704 2.7966 3.4576 3.4656 4.3269 4.3332 4.6621 4.6623 4.9750 4.9791 5.3800 5.3808 6.8478 6.8875 7.1586 7.2029 8.7027 8.7035 9.0513 9.0541 k = 0.5314 0.0804-0.3183 ( 8585 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1654 -36.1654 -36.1510 -36.1510 -9.2804 -9.2801 -8.9220 -8.9217 -7.5152 -7.5150 -6.5988 -6.5988 -0.2557 -0.2545 0.1179 0.1246 1.7796 1.8495 2.1536 2.1945 2.3181 2.3217 2.6528 2.6948 2.7826 2.8127 3.4596 3.4666 4.3896 4.3958 4.6970 4.6974 5.0300 5.0340 5.3911 5.3919 6.7666 6.8044 7.0754 7.1177 8.7332 8.7340 9.0806 9.0816 k = 0.5279 0.0798-0.2780 ( 8581 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4465 -36.1653 -36.1653 -36.1510 -36.1510 -9.2930 -9.2927 -8.9343 -8.9340 -7.5268 -7.5267 -6.6047 -6.6047 -0.2584 -0.2575 0.1087 0.1144 1.8745 1.9370 2.2453 2.2760 2.3500 2.3523 2.6701 2.7231 2.7934 2.8279 3.4571 3.4631 4.4482 4.4543 4.7316 4.7322 5.0794 5.0833 5.4033 5.4040 6.6853 6.7203 6.9928 7.0321 8.7659 8.7677 9.1131 9.1132 k = 0.5244 0.0793-0.2377 ( 8580 PWs) bands (ev): -69.5032 -69.5032 -36.4465 -36.4464 -36.1653 -36.1653 -36.1510 -36.1510 -9.3042 -9.3040 -8.9453 -8.9450 -7.5371 -7.5370 -6.6100 -6.6100 -0.2614 -0.2607 0.1002 0.1050 1.9628 2.0172 2.3248 2.3433 2.3880 2.3889 2.6861 2.7522 2.8028 2.8427 3.4506 3.4556 4.5012 4.5069 4.7660 4.7667 5.1221 5.1257 5.4168 5.4175 6.6067 6.6384 6.9133 6.9490 8.7999 8.8024 9.1162 9.1168 k = 0.5209 0.0788-0.1974 ( 8565 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3140 -9.3138 -8.9548 -8.9546 -7.5461 -7.5460 -6.6147 -6.6146 -0.2645 -0.2640 0.0926 0.0966 2.0423 2.0878 2.3809 2.3882 2.4382 2.4414 2.7018 2.7820 2.8117 2.8572 3.4407 3.4444 4.5473 4.5525 4.7998 4.8005 5.1571 5.1603 5.4320 5.4325 6.5332 6.5612 6.8391 6.8707 8.8335 8.8364 9.0750 9.0750 k = 0.5175 0.0783-0.1571 ( 8554 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3223 -9.3221 -8.9629 -8.9627 -7.5537 -7.5536 -6.6186 -6.6186 -0.2674 -0.2670 0.0859 0.0892 2.1109 2.1471 2.4194 2.4215 2.4881 2.5009 2.7186 2.8063 2.8263 2.8717 3.4278 3.4303 4.5859 4.5903 4.8324 4.8329 5.1842 5.1871 5.4482 5.4486 6.4672 6.4911 6.7725 6.7994 8.8651 8.8680 9.0392 9.0393 k = 0.5140 0.0777-0.1169 ( 8549 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3291 -9.3290 -8.9696 -8.9694 -7.5599 -7.5599 -6.6219 -6.6219 -0.2700 -0.2697 0.0804 0.0830 2.1669 2.1937 2.4523 2.4528 2.5284 2.5495 2.7381 2.8150 2.8555 2.8868 3.4130 3.4142 4.6168 4.6204 4.8623 4.8626 5.2040 5.2064 5.4645 5.4648 6.4107 6.4301 6.7154 6.7374 8.8929 8.8957 9.0101 9.0103 k = 0.5105 0.0772-0.0766 ( 8553 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3344 -9.3343 -8.9748 -8.9746 -7.5648 -7.5648 -6.6245 -6.6245 -0.2721 -0.2720 0.0761 0.0780 2.2094 2.2278 2.4817 2.4831 2.5578 2.5812 2.7601 2.8179 2.8869 2.9029 3.3976 3.3978 4.6403 4.6430 4.8880 4.8881 5.2176 5.2193 5.4794 5.4795 6.3653 6.3801 6.6696 6.6864 8.9152 8.9177 8.9884 8.9887 k = 0.5070 0.0767-0.0363 ( 8555 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3382 -9.3381 -8.9785 -8.9784 -7.5683 -7.5683 -6.6263 -6.6263 -0.2737 -0.2736 0.0731 0.0743 2.2390 2.2502 2.5075 2.5085 2.5774 2.5968 2.7811 2.8179 2.9136 2.9189 3.3831 3.3836 4.6568 4.6585 4.9077 4.9077 5.2262 5.2273 5.4913 5.4914 6.3326 6.3425 6.6366 6.6479 8.9297 8.9315 8.9754 8.9757 k = 0.5035 0.0761 0.0040 ( 8547 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3405 -9.3404 -8.9807 -8.9806 -7.5704 -7.5704 -6.6274 -6.6274 -0.2747 -0.2746 0.0714 0.0720 2.2568 2.2621 2.5259 2.5261 2.5897 2.6007 2.7976 2.8150 2.9313 2.9320 3.3729 3.3734 4.6666 4.6675 4.9201 4.9201 5.2309 5.2315 5.4990 5.4990 6.3135 6.3185 6.6175 6.6232 8.9352 8.9361 8.9715 8.9715 k = 0.5000 0.0756 0.0443 ( 8550 PWs) bands (ev): -69.5032 -69.5032 -36.4464 -36.4464 -36.1652 -36.1652 -36.1510 -36.1510 -9.3412 -9.3412 -8.9814 -8.9814 -7.5711 -7.5711 -6.6278 -6.6278 -0.2750 -0.2750 0.0710 0.0710 2.2643 2.2643 2.5325 2.5325 2.5974 2.5974 2.8087 2.8087 2.9372 2.9372 3.3694 3.3694 4.6702 4.6702 4.9244 4.9244 5.2326 5.2326 5.5016 5.5016 6.3087 6.3087 6.6130 6.6130 8.9362 8.9362 8.9714 8.9714 k = 0.5000-1.6154-0.9469 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7322 -6.7322 -6.3814 -6.3814 -1.8326 -1.8326 -1.4746 -1.4746 1.0170 1.0170 1.0981 1.0981 1.3783 1.3783 1.6012 1.6012 1.8146 1.8146 2.4027 2.4027 3.1467 3.1467 3.4864 3.4864 3.8114 3.8114 4.9356 4.9356 6.3663 6.3663 6.6182 6.6182 7.8152 7.8152 7.9475 7.9475 k = 0.5365-1.6070-0.9420 ( 8602 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7322 -6.7322 -6.3814 -6.3814 -1.8325 -1.8325 -1.4746 -1.4745 1.0154 1.0169 1.0936 1.0954 1.3788 1.3797 1.6048 1.6074 1.8141 1.8157 2.4042 2.4048 3.1419 3.1428 3.4858 3.4861 3.8111 3.8114 4.9357 4.9358 6.3660 6.3669 6.6189 6.6200 7.8070 7.8088 7.9580 7.9595 k = 0.5729-1.5986-0.9370 ( 8610 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7322 -6.7322 -6.3814 -6.3814 -1.8323 -1.8322 -1.4746 -1.4744 1.0121 1.0152 1.0824 1.0861 1.3811 1.3827 1.6179 1.6230 1.8142 1.8175 2.4091 2.4105 3.1287 3.1305 3.4842 3.4848 3.8107 3.8113 4.9361 4.9362 6.3661 6.3677 6.6218 6.6241 7.7896 7.7925 7.9866 7.9887 k = 0.6094-1.5902-0.9321 ( 8615 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4636 -8.4636 -8.1372 -8.1372 -6.7323 -6.7323 -6.3814 -6.3814 -1.8318 -1.8317 -1.4745 -1.4743 1.0070 1.0119 1.0663 1.0722 1.3842 1.3862 1.6395 1.6469 1.8150 1.8202 2.4171 2.4191 3.1083 3.1109 3.4811 3.4820 3.8101 3.8109 4.9367 4.9368 6.3667 6.3689 6.6268 6.6301 7.7694 7.7727 8.0260 8.0283 k = 0.6459-1.5818-0.9272 ( 8614 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4637 -8.4637 -8.1373 -8.1373 -6.7323 -6.7323 -6.3814 -6.3814 -1.8312 -1.8310 -1.4744 -1.4741 1.0000 1.0073 1.0473 1.0558 1.3873 1.3895 1.6677 1.6774 1.8169 1.8243 2.4274 2.4301 3.0822 3.0856 3.4761 3.4771 3.8094 3.8103 4.9375 4.9376 6.3680 6.3708 6.6334 6.6374 7.7492 7.7528 8.0725 8.0748 k = 0.6823-1.5734-0.9223 ( 8611 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1672 -36.1672 -36.1512 -36.1512 -8.4638 -8.4638 -8.1374 -8.1373 -6.7324 -6.7324 -6.3814 -6.3814 -1.8305 -1.8302 -1.4742 -1.4739 0.9909 1.0011 1.0278 1.0392 1.3900 1.3922 1.6997 1.7121 1.8207 1.8309 2.4389 2.4422 3.0524 3.0564 3.4687 3.4699 3.8085 3.8096 4.9385 4.9386 6.3702 6.3734 6.6410 6.6457 7.7302 7.7338 8.1239 8.1261 k = 0.7188-1.5650-0.9173 ( 8599 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4639 -8.4638 -8.1374 -8.1374 -6.7325 -6.7324 -6.3815 -6.3815 -1.8297 -1.8293 -1.4740 -1.4736 0.9797 0.9921 1.0106 1.0242 1.3923 1.3942 1.7316 1.7467 1.8290 1.8423 2.4503 2.4541 3.0209 3.0254 3.4588 3.4602 3.8077 3.8087 4.9395 4.9397 6.3735 6.3769 6.6493 6.6543 7.7126 7.7161 8.1788 8.1807 k = 0.7553-1.5566-0.9124 ( 8595 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4640 -8.4640 -8.1375 -8.1375 -6.7326 -6.7325 -6.3815 -6.3815 -1.8287 -1.8283 -1.4738 -1.4733 0.9666 0.9780 0.9993 1.0118 1.3940 1.3957 1.7581 1.7740 1.8476 1.8621 2.4597 2.4640 2.9900 2.9948 3.4468 3.4482 3.8068 3.8077 4.9406 4.9408 6.3776 6.3810 6.6577 6.6628 7.6965 7.6998 8.2353 8.2370 k = 0.7917-1.5482-0.9075 ( 8590 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4641 -8.4641 -8.1376 -8.1376 -6.7327 -6.7326 -6.3815 -6.3815 -1.8277 -1.8273 -1.4736 -1.4731 0.9529 0.9618 0.9921 1.0020 1.3953 1.3968 1.7757 1.7886 1.8801 1.8920 2.4656 2.4700 2.9621 2.9669 3.4331 3.4346 3.8059 3.8068 4.9418 4.9419 6.3823 6.3855 6.6659 6.6708 7.6821 7.6850 8.2917 8.2931 k = 0.8282-1.5398-0.9026 ( 8596 PWs) bands (ev): -69.5032 -69.5032 -36.4476 -36.4476 -36.1671 -36.1671 -36.1512 -36.1512 -8.4643 -8.4642 -8.1378 -8.1377 -6.7328 -6.7328 -6.3816 -6.3815 -1.8267 -1.8262 -1.4734 -1.4728 0.9398 0.9465 0.9867 0.9943 1.3963 1.3976 1.7859 1.7952 1.9202 1.9288 2.4665 2.4706 2.9394 2.9437 3.4188 3.4202 3.8052 3.8059 4.9428 4.9430 6.3873 6.3902 6.6736 6.6780 7.6694 7.6720 8.3456 8.3467 Writing output data file MgxAlSe2x2.save init_run : 3.85s CPU 12.62s WALL ( 1 calls) electrons : 4349.50s CPU 4372.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.96s CPU 2.38s WALL ( 1 calls) Called by electrons: c_bands : 4349.44s CPU 4372.42s WALL ( 1 calls) v_of_rho : 0.23s CPU 1.11s WALL ( 1 calls) v_h : 0.02s CPU 0.04s WALL ( 1 calls) v_xc : 0.21s CPU 0.82s WALL ( 1 calls) newd : 0.42s CPU 0.76s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.17s WALL ( 294 calls) cegterg : 4096.92s CPU 4116.74s WALL ( 725 calls) Called by sum_band: Called by *egterg: h_psi : 3954.82s CPU 3978.97s WALL ( 12557 calls) s_psi : 25.03s CPU 25.38s WALL ( 12557 calls) g_psi : 1.30s CPU 1.36s WALL ( 11538 calls) cdiaghg : 206.41s CPU 203.64s WALL ( 11832 calls) cegterg:over : 69.33s CPU 66.09s WALL ( 11538 calls) cegterg:upda : 21.53s CPU 25.44s WALL ( 11538 calls) cegterg:last : 16.65s CPU 17.47s WALL ( 2006 calls) Called by h_psi: h_psi:vloc : 3891.48s CPU 3913.84s WALL ( 12557 calls) h_psi:vnl : 62.65s CPU 63.67s WALL ( 12557 calls) add_vuspsi : 18.81s CPU 22.92s WALL ( 12557 calls) General routines calbec : 43.77s CPU 40.57s WALL ( 12557 calls) fft : 0.67s CPU 1.77s WALL ( 19 calls) ffts : 0.03s CPU 0.31s WALL ( 4 calls) fftw : 2744.91s CPU 2756.39s WALL ( 1171300 calls) interpolate : 0.30s CPU 0.59s WALL ( 4 calls) davcio : 0.04s CPU 1.97s WALL ( 588 calls) Parallel routines fft_scatter : 1194.48s CPU 1203.62s WALL ( 1171323 calls) PWSCF : 1h13m CPU 1h16m WALL This run was terminated on: 10:46:30 25Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=