Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YTlS2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 43 12 1387 801 128 Max 63 44 13 1390 816 131 Sum 2235 1569 457 50011 29131 4653 bravais-lattice index = 14 lattice parameter (alat) = 14.8245 a.u. unit-cell volume = 714.4497 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.824492 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.867392 celldm(5)= 0.867392 celldm(6)= 0.867392 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.867392 0.497626 0.000000 ) a(3) = ( 0.867392 0.231144 0.440686 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.743059 -1.054024 ) b(2) = ( 0.000000 2.009541 -1.054024 ) b(3) = ( 0.000000 0.000000 2.269190 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 -0.0189463 -0.0114568), wk = 0.0033333 k( 3) = ( 0.0217391 -0.0378926 -0.0229136), wk = 0.0033333 k( 4) = ( 0.0326087 -0.0568389 -0.0343704), wk = 0.0033333 k( 5) = ( 0.0434783 -0.0757852 -0.0458271), wk = 0.0033333 k( 6) = ( 0.0543478 -0.0947315 -0.0572839), wk = 0.0033333 k( 7) = ( 0.0652174 -0.1136778 -0.0687407), wk = 0.0033333 k( 8) = ( 0.0760870 -0.1326241 -0.0801975), wk = 0.0033333 k( 9) = ( 0.0869565 -0.1515704 -0.0916543), wk = 0.0033333 k( 10) = ( 0.0978261 -0.1705167 -0.1031111), wk = 0.0033333 k( 11) = ( 0.1086957 -0.1894630 -0.1145679), wk = 0.0033333 k( 12) = ( 0.1195652 -0.2084093 -0.1260247), wk = 0.0033333 k( 13) = ( 0.1304348 -0.2273556 -0.1374814), wk = 0.0033333 k( 14) = ( 0.1413043 -0.2463019 -0.1489382), wk = 0.0033333 k( 15) = ( 0.1521739 -0.2652481 -0.1603950), wk = 0.0033333 k( 16) = ( 0.1630435 -0.2841944 -0.1718518), wk = 0.0033333 k( 17) = ( 0.1739130 -0.3031407 -0.1833086), wk = 0.0033333 k( 18) = ( 0.1847826 -0.3220870 -0.1947654), wk = 0.0033333 k( 19) = ( 0.1956522 -0.3410333 -0.2062222), wk = 0.0033333 k( 20) = ( 0.2065217 -0.3599796 -0.2176790), wk = 0.0033333 k( 21) = ( 0.2173913 -0.3789259 -0.2291357), wk = 0.0033333 k( 22) = ( 0.2282609 -0.3978722 -0.2405925), wk = 0.0033333 k( 23) = ( 0.2391304 -0.4168185 -0.2520493), wk = 0.0033333 k( 24) = ( 0.2500000 -0.4357648 -0.2635061), wk = 0.0033333 k( 25) = ( 0.2608696 -0.4547111 -0.2749629), wk = 0.0033333 k( 26) = ( 0.2717391 -0.4736574 -0.2864197), wk = 0.0033333 k( 27) = ( 0.2826087 -0.4926037 -0.2978765), wk = 0.0033333 k( 28) = ( 0.2934783 -0.5115500 -0.3093333), wk = 0.0033333 k( 29) = ( 0.3043478 -0.5304963 -0.3207901), wk = 0.0033333 k( 30) = ( 0.3152174 -0.5494426 -0.3322468), wk = 0.0033333 k( 31) = ( 0.3260870 -0.5683889 -0.3437036), wk = 0.0033333 k( 32) = ( 0.3369565 -0.5873352 -0.3551604), wk = 0.0033333 k( 33) = ( 0.3478261 -0.6062815 -0.3666172), wk = 0.0033333 k( 34) = ( 0.3586956 -0.6252278 -0.3780740), wk = 0.0033333 k( 35) = ( 0.3695652 -0.6441741 -0.3895308), wk = 0.0033333 k( 36) = ( 0.3804348 -0.6631204 -0.4009876), wk = 0.0033333 k( 37) = ( 0.3913044 -0.6820667 -0.4124444), wk = 0.0033333 k( 38) = ( 0.4021739 -0.7010130 -0.4239011), wk = 0.0033333 k( 39) = ( 0.4130435 -0.7199593 -0.4353579), wk = 0.0033333 k( 40) = ( 0.4239130 -0.7389056 -0.4468147), wk = 0.0033333 k( 41) = ( 0.4347826 -0.7578519 -0.4582715), wk = 0.0033333 k( 42) = ( 0.4456522 -0.7767981 -0.4697283), wk = 0.0033333 k( 43) = ( 0.4565217 -0.7957445 -0.4811851), wk = 0.0033333 k( 44) = ( 0.4673913 -0.8146907 -0.4926419), wk = 0.0033333 k( 45) = ( 0.4782609 -0.8336370 -0.5040987), wk = 0.0033333 k( 46) = ( 0.4891304 -0.8525833 -0.5155554), wk = 0.0033333 k( 47) = ( 0.5000000 -0.8715296 -0.5270122), wk = 0.0033333 k( 48) = ( 0.5000000 -0.8715296 -0.5270122), wk = 0.0033333 k( 49) = ( 0.5000000 -0.8588605 -0.5479634), wk = 0.0033333 k( 50) = ( 0.5000000 -0.8461914 -0.5689145), wk = 0.0033333 k( 51) = ( 0.5000000 -0.8335223 -0.5898656), wk = 0.0033333 k( 52) = ( 0.5000000 -0.8208532 -0.6108168), wk = 0.0033333 k( 53) = ( 0.5000000 -0.8081841 -0.6317679), wk = 0.0033333 k( 54) = ( 0.5000000 -0.7955150 -0.6527190), wk = 0.0033333 k( 55) = ( 0.5000000 -0.7828459 -0.6736701), wk = 0.0033333 k( 56) = ( 0.5000000 -0.7701768 -0.6946213), wk = 0.0033333 k( 57) = ( 0.5000000 -0.7575077 -0.7155724), wk = 0.0033333 k( 58) = ( 0.5000000 -0.7448386 -0.7365235), wk = 0.0033333 k( 59) = ( 0.5000000 -0.7321695 -0.7574747), wk = 0.0033333 k( 60) = ( 0.5000000 -0.7195004 -0.7784258), wk = 0.0033333 k( 61) = ( 0.5000000 -0.7068313 -0.7993769), wk = 0.0033333 k( 62) = ( 0.5000000 -0.6941621 -0.8203280), wk = 0.0033333 k( 63) = ( 0.5000000 -0.6814930 -0.8412792), wk = 0.0033333 k( 64) = ( 0.5000000 -0.6688239 -0.8622303), wk = 0.0033333 k( 65) = ( 0.5000000 -0.6561548 -0.8831814), wk = 0.0033333 k( 66) = ( 0.5000000 -0.6434857 -0.9041326), wk = 0.0033333 k( 67) = ( 0.5000000 -0.6308166 -0.9250837), wk = 0.0033333 k( 68) = ( 0.5000000 -0.6181475 -0.9460348), wk = 0.0033333 k( 69) = ( 0.5000000 -0.6054784 -0.9669860), wk = 0.0033333 k( 70) = ( 0.5000000 -0.5928093 -0.9879371), wk = 0.0033333 k( 71) = ( 0.5000000 -0.5801402 -1.0088882), wk = 0.0033333 k( 72) = ( 0.5000000 -0.5674711 -1.0298393), wk = 0.0033333 k( 73) = ( 0.5000000 -0.5548020 -1.0507905), wk = 0.0033333 k( 74) = ( 0.5000000 -0.5421329 -1.0717416), wk = 0.0033333 k( 75) = ( 0.5000000 -0.5294638 -1.0926927), wk = 0.0033333 k( 76) = ( 0.5000000 -0.5167947 -1.1136439), wk = 0.0033333 k( 77) = ( 0.5000000 -0.5041255 -1.1345950), wk = 0.0033333 k( 78) = ( 0.8171702 -0.4196055 -0.9734539), wk = 0.0033333 k( 79) = ( 0.8108268 -0.4085485 -0.9523735), wk = 0.0033333 k( 80) = ( 0.8044834 -0.3974916 -0.9312930), wk = 0.0033333 k( 81) = ( 0.7981400 -0.3864347 -0.9102125), wk = 0.0033333 k( 82) = ( 0.7917966 -0.3753777 -0.8891320), wk = 0.0033333 k( 83) = ( 0.7854532 -0.3643208 -0.8680515), wk = 0.0033333 k( 84) = ( 0.7791097 -0.3532639 -0.8469710), wk = 0.0033333 k( 85) = ( 0.7727663 -0.3422070 -0.8258905), wk = 0.0033333 k( 86) = ( 0.7664229 -0.3311500 -0.8048100), wk = 0.0033333 k( 87) = ( 0.7600795 -0.3200931 -0.7837295), wk = 0.0033333 k( 88) = ( 0.7537361 -0.3090362 -0.7626490), wk = 0.0033333 k( 89) = ( 0.7473927 -0.2979793 -0.7415686), wk = 0.0033333 k( 90) = ( 0.7410493 -0.2869223 -0.7204881), wk = 0.0033333 k( 91) = ( 0.7347059 -0.2758654 -0.6994076), wk = 0.0033333 k( 92) = ( 0.7283625 -0.2648085 -0.6783271), wk = 0.0033333 k( 93) = ( 0.7220191 -0.2537515 -0.6572466), wk = 0.0033333 k( 94) = ( 0.7156757 -0.2426946 -0.6361661), wk = 0.0033333 k( 95) = ( 0.7093323 -0.2316377 -0.6150856), wk = 0.0033333 k( 96) = ( 0.7029889 -0.2205807 -0.5940051), wk = 0.0033333 k( 97) = ( 0.6966455 -0.2095238 -0.5729246), wk = 0.0033333 k( 98) = ( 0.6903021 -0.1984669 -0.5518442), wk = 0.0033333 k( 99) = ( 0.6839587 -0.1874100 -0.5307636), wk = 0.0033333 k( 100) = ( 0.6776153 -0.1763530 -0.5096832), wk = 0.0033333 k( 101) = ( 0.6712719 -0.1652961 -0.4886027), wk = 0.0033333 k( 102) = ( 0.6649285 -0.1542392 -0.4675222), wk = 0.0033333 k( 103) = ( 0.6585851 -0.1431823 -0.4464417), wk = 0.0033333 k( 104) = ( 0.6522417 -0.1321253 -0.4253612), wk = 0.0033333 k( 105) = ( 0.6458983 -0.1210684 -0.4042807), wk = 0.0033333 k( 106) = ( 0.6395549 -0.1100115 -0.3832002), wk = 0.0033333 k( 107) = ( 0.6332115 -0.0989546 -0.3621198), wk = 0.0033333 k( 108) = ( 0.6268681 -0.0878976 -0.3410392), wk = 0.0033333 k( 109) = ( 0.6205247 -0.0768407 -0.3199588), wk = 0.0033333 k( 110) = ( 0.6141813 -0.0657838 -0.2988783), wk = 0.0033333 k( 111) = ( 0.6078379 -0.0547268 -0.2777978), wk = 0.0033333 k( 112) = ( 0.6014945 -0.0436699 -0.2567173), wk = 0.0033333 k( 113) = ( 0.5951511 -0.0326130 -0.2356368), wk = 0.0033333 k( 114) = ( 0.5888077 -0.0215561 -0.2145563), wk = 0.0033333 k( 115) = ( 0.5824642 -0.0104991 -0.1934758), wk = 0.0033333 k( 116) = ( 0.5761208 0.0005578 -0.1723953), wk = 0.0033333 k( 117) = ( 0.5697774 0.0116147 -0.1513149), wk = 0.0033333 k( 118) = ( 0.5634340 0.0226717 -0.1302344), wk = 0.0033333 k( 119) = ( 0.5570906 0.0337286 -0.1091539), wk = 0.0033333 k( 120) = ( 0.5507472 0.0447855 -0.0880734), wk = 0.0033333 k( 121) = ( 0.5444038 0.0558424 -0.0669929), wk = 0.0033333 k( 122) = ( 0.5380604 0.0668994 -0.0459124), wk = 0.0033333 k( 123) = ( 0.5317170 0.0779563 -0.0248319), wk = 0.0033333 k( 124) = ( 0.5253736 0.0890132 -0.0037514), wk = 0.0033333 k( 125) = ( 0.5190302 0.1000702 0.0173291), wk = 0.0033333 k( 126) = ( 0.5126868 0.1111271 0.0384095), wk = 0.0033333 k( 127) = ( 0.5063434 0.1221840 0.0594901), wk = 0.0033333 k( 128) = ( 0.5000000 0.1332409 0.0805705), wk = 0.0033333 k( 129) = ( 0.5000000 0.1332409 0.0805705), wk = 0.0033333 k( 130) = ( 0.4761905 0.1268961 0.0767338), wk = 0.0033333 k( 131) = ( 0.4523810 0.1205513 0.0728971), wk = 0.0033333 k( 132) = ( 0.4285714 0.1142065 0.0690605), wk = 0.0033333 k( 133) = ( 0.4047619 0.1078617 0.0652238), wk = 0.0033333 k( 134) = ( 0.3809524 0.1015169 0.0613871), wk = 0.0033333 k( 135) = ( 0.3571429 0.0951721 0.0575504), wk = 0.0033333 k( 136) = ( 0.3333333 0.0888273 0.0537137), wk = 0.0033333 k( 137) = ( 0.3095238 0.0824825 0.0498770), wk = 0.0033333 k( 138) = ( 0.2857143 0.0761377 0.0460403), wk = 0.0033333 k( 139) = ( 0.2619048 0.0697929 0.0422036), wk = 0.0033333 k( 140) = ( 0.2380952 0.0634481 0.0383669), wk = 0.0033333 k( 141) = ( 0.2142857 0.0571033 0.0345302), wk = 0.0033333 k( 142) = ( 0.1904762 0.0507585 0.0306935), wk = 0.0033333 k( 143) = ( 0.1666667 0.0444136 0.0268568), wk = 0.0033333 k( 144) = ( 0.1428571 0.0380688 0.0230202), wk = 0.0033333 k( 145) = ( 0.1190476 0.0317240 0.0191835), wk = 0.0033333 k( 146) = ( 0.0952381 0.0253792 0.0153468), wk = 0.0033333 k( 147) = ( 0.0714286 0.0190344 0.0115101), wk = 0.0033333 k( 148) = ( 0.0476191 0.0126896 0.0076734), wk = 0.0033333 k( 149) = ( 0.0238095 0.0063448 0.0038367), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 152) = ( 0.0063225 -0.0110205 -0.0210110), wk = 0.0033333 k( 153) = ( 0.0126450 -0.0220410 -0.0420220), wk = 0.0033333 k( 154) = ( 0.0189675 -0.0330615 -0.0630331), wk = 0.0033333 k( 155) = ( 0.0252900 -0.0440820 -0.0840441), wk = 0.0033333 k( 156) = ( 0.0316125 -0.0551024 -0.1050551), wk = 0.0033333 k( 157) = ( 0.0379350 -0.0661229 -0.1260661), wk = 0.0033333 k( 158) = ( 0.0442575 -0.0771434 -0.1470771), wk = 0.0033333 k( 159) = ( 0.0505800 -0.0881639 -0.1680882), wk = 0.0033333 k( 160) = ( 0.0569025 -0.0991844 -0.1890992), wk = 0.0033333 k( 161) = ( 0.0632250 -0.1102049 -0.2101102), wk = 0.0033333 k( 162) = ( 0.0695475 -0.1212254 -0.2311212), wk = 0.0033333 k( 163) = ( 0.0758700 -0.1322459 -0.2521322), wk = 0.0033333 k( 164) = ( 0.0821925 -0.1432664 -0.2731432), wk = 0.0033333 k( 165) = ( 0.0885150 -0.1542869 -0.2941543), wk = 0.0033333 k( 166) = ( 0.0948375 -0.1653073 -0.3151653), wk = 0.0033333 k( 167) = ( 0.1011600 -0.1763278 -0.3361763), wk = 0.0033333 k( 168) = ( 0.1074825 -0.1873483 -0.3571873), wk = 0.0033333 k( 169) = ( 0.1138050 -0.1983688 -0.3781983), wk = 0.0033333 k( 170) = ( 0.1201275 -0.2093893 -0.3992093), wk = 0.0033333 k( 171) = ( 0.1264500 -0.2204098 -0.4202204), wk = 0.0033333 k( 172) = ( 0.1327725 -0.2314303 -0.4412314), wk = 0.0033333 k( 173) = ( 0.1390950 -0.2424508 -0.4622424), wk = 0.0033333 k( 174) = ( 0.1454175 -0.2534713 -0.4832534), wk = 0.0033333 k( 175) = ( 0.1517400 -0.2644917 -0.5042644), wk = 0.0033333 k( 176) = ( 0.1580625 -0.2755122 -0.5252755), wk = 0.0033333 k( 177) = ( 0.1643850 -0.2865327 -0.5462865), wk = 0.0033333 k( 178) = ( 0.1707075 -0.2975532 -0.5672975), wk = 0.0033333 k( 179) = ( 0.1770300 -0.3085737 -0.5883085), wk = 0.0033333 k( 180) = ( 0.1833525 -0.3195942 -0.6093195), wk = 0.0033333 k( 181) = ( 0.1896750 -0.3306147 -0.6303306), wk = 0.0033333 k( 182) = ( 0.1959974 -0.3416352 -0.6513416), wk = 0.0033333 k( 183) = ( 0.2023199 -0.3526557 -0.6723526), wk = 0.0033333 k( 184) = ( 0.2086425 -0.3636762 -0.6933636), wk = 0.0033333 k( 185) = ( 0.2149649 -0.3746966 -0.7143746), wk = 0.0033333 k( 186) = ( 0.2212874 -0.3857171 -0.7353857), wk = 0.0033333 k( 187) = ( 0.2276100 -0.3967376 -0.7563967), wk = 0.0033333 k( 188) = ( 0.2339324 -0.4077581 -0.7774077), wk = 0.0033333 k( 189) = ( 0.2402549 -0.4187786 -0.7984187), wk = 0.0033333 k( 190) = ( 0.2465774 -0.4297991 -0.8194297), wk = 0.0033333 k( 191) = ( 0.2528999 -0.4408196 -0.8404407), wk = 0.0033333 k( 192) = ( 0.2592224 -0.4518401 -0.8614518), wk = 0.0033333 k( 193) = ( 0.2655449 -0.4628606 -0.8824628), wk = 0.0033333 k( 194) = ( 0.2718674 -0.4738811 -0.9034738), wk = 0.0033333 k( 195) = ( 0.2781899 -0.4849015 -0.9244848), wk = 0.0033333 k( 196) = ( 0.2845124 -0.4959220 -0.9454958), wk = 0.0033333 k( 197) = ( 0.2908349 -0.5069425 -0.9665068), wk = 0.0033333 k( 198) = ( 0.2971574 -0.5179630 -0.9875179), wk = 0.0033333 k( 199) = ( 0.3034799 -0.5289835 -1.0085289), wk = 0.0033333 k( 200) = ( 0.3098024 -0.5400040 -1.0295399), wk = 0.0033333 k( 201) = ( 0.3161249 -0.5510245 -1.0505509), wk = 0.0033333 k( 202) = ( 0.3224474 -0.5620450 -1.0715619), wk = 0.0033333 k( 203) = ( 0.3287699 -0.5730655 -1.0925729), wk = 0.0033333 k( 204) = ( 0.3350924 -0.5840860 -1.1135840), wk = 0.0033333 k( 205) = ( 0.3414149 -0.5951064 -1.1345950), wk = 0.0033333 k( 206) = ( 0.6585851 -0.4618655 -1.0540245), wk = 0.0033333 k( 207) = ( 0.6522417 -0.4380613 -1.0540245), wk = 0.0033333 k( 208) = ( 0.6458983 -0.4142570 -1.0540245), wk = 0.0033333 k( 209) = ( 0.6395549 -0.3904527 -1.0540245), wk = 0.0033333 k( 210) = ( 0.6332115 -0.3666485 -1.0540245), wk = 0.0033333 k( 211) = ( 0.6268681 -0.3428442 -1.0540245), wk = 0.0033333 k( 212) = ( 0.6205247 -0.3190400 -1.0540245), wk = 0.0033333 k( 213) = ( 0.6141813 -0.2952357 -1.0540245), wk = 0.0033333 k( 214) = ( 0.6078379 -0.2714314 -1.0540245), wk = 0.0033333 k( 215) = ( 0.6014945 -0.2476272 -1.0540245), wk = 0.0033333 k( 216) = ( 0.5951511 -0.2238229 -1.0540245), wk = 0.0033333 k( 217) = ( 0.5888077 -0.2000187 -1.0540245), wk = 0.0033333 k( 218) = ( 0.5824642 -0.1762144 -1.0540245), wk = 0.0033333 k( 219) = ( 0.5761208 -0.1524102 -1.0540245), wk = 0.0033333 k( 220) = ( 0.5697774 -0.1286059 -1.0540245), wk = 0.0033333 k( 221) = ( 0.5634340 -0.1048016 -1.0540245), wk = 0.0033333 k( 222) = ( 0.5570906 -0.0809974 -1.0540245), wk = 0.0033333 k( 223) = ( 0.5507472 -0.0571931 -1.0540245), wk = 0.0033333 k( 224) = ( 0.5444038 -0.0333889 -1.0540245), wk = 0.0033333 k( 225) = ( 0.5380604 -0.0095846 -1.0540245), wk = 0.0033333 k( 226) = ( 0.5317170 0.0142196 -1.0540245), wk = 0.0033333 k( 227) = ( 0.5253736 0.0380239 -1.0540245), wk = 0.0033333 k( 228) = ( 0.5190302 0.0618282 -1.0540245), wk = 0.0033333 k( 229) = ( 0.5126868 0.0856324 -1.0540245), wk = 0.0033333 k( 230) = ( 0.5063434 0.1094367 -1.0540245), wk = 0.0033333 k( 231) = ( 0.5000000 0.1332409 -1.0540245), wk = 0.0033333 k( 232) = ( 0.5000000 0.1332409 -1.0540245), wk = 0.0033333 k( 233) = ( 0.5198231 0.1385234 -1.0439532), wk = 0.0033333 k( 234) = ( 0.5396463 0.1438060 -1.0338818), wk = 0.0033333 k( 235) = ( 0.5594694 0.1490885 -1.0238105), wk = 0.0033333 k( 236) = ( 0.5792925 0.1543710 -1.0137392), wk = 0.0033333 k( 237) = ( 0.5991157 0.1596535 -1.0036679), wk = 0.0033333 k( 238) = ( 0.6189388 0.1649360 -0.9935966), wk = 0.0033333 k( 239) = ( 0.6387620 0.1702185 -0.9835253), wk = 0.0033333 k( 240) = ( 0.6585851 0.1755010 -0.9734539), wk = 0.0033333 k( 241) = ( 0.6585851 0.1755010 -0.9734539), wk = 0.0033333 k( 242) = ( 0.6548971 0.1745182 -0.9489417), wk = 0.0033333 k( 243) = ( 0.6512090 0.1735354 -0.9244295), wk = 0.0033333 k( 244) = ( 0.6475210 0.1725526 -0.8999174), wk = 0.0033333 k( 245) = ( 0.6438330 0.1715698 -0.8754051), wk = 0.0033333 k( 246) = ( 0.6401450 0.1705870 -0.8508930), wk = 0.0033333 k( 247) = ( 0.6364569 0.1696042 -0.8263808), wk = 0.0033333 k( 248) = ( 0.6327689 0.1686214 -0.8018685), wk = 0.0033333 k( 249) = ( 0.6290809 0.1676387 -0.7773564), wk = 0.0033333 k( 250) = ( 0.6253929 0.1666559 -0.7528442), wk = 0.0033333 k( 251) = ( 0.6217048 0.1656731 -0.7283320), wk = 0.0033333 k( 252) = ( 0.6180168 0.1646903 -0.7038198), wk = 0.0033333 k( 253) = ( 0.6143288 0.1637075 -0.6793076), wk = 0.0033333 k( 254) = ( 0.6106407 0.1627247 -0.6547954), wk = 0.0033333 k( 255) = ( 0.6069527 0.1617419 -0.6302832), wk = 0.0033333 k( 256) = ( 0.6032647 0.1607591 -0.6057710), wk = 0.0033333 k( 257) = ( 0.5995767 0.1597763 -0.5812588), wk = 0.0033333 k( 258) = ( 0.5958887 0.1587935 -0.5567466), wk = 0.0033333 k( 259) = ( 0.5922006 0.1578107 -0.5322344), wk = 0.0033333 k( 260) = ( 0.5885126 0.1568279 -0.5077222), wk = 0.0033333 k( 261) = ( 0.5848246 0.1558452 -0.4832100), wk = 0.0033333 k( 262) = ( 0.5811365 0.1548624 -0.4586978), wk = 0.0033333 k( 263) = ( 0.5774485 0.1538796 -0.4341856), wk = 0.0033333 k( 264) = ( 0.5737605 0.1528968 -0.4096734), wk = 0.0033333 k( 265) = ( 0.5700725 0.1519140 -0.3851612), wk = 0.0033333 k( 266) = ( 0.5663845 0.1509312 -0.3606490), wk = 0.0033333 k( 267) = ( 0.5626964 0.1499484 -0.3361368), wk = 0.0033333 k( 268) = ( 0.5590084 0.1489656 -0.3116246), wk = 0.0033333 k( 269) = ( 0.5553204 0.1479828 -0.2871124), wk = 0.0033333 k( 270) = ( 0.5516323 0.1470000 -0.2626002), wk = 0.0033333 k( 271) = ( 0.5479443 0.1460172 -0.2380880), wk = 0.0033333 k( 272) = ( 0.5442563 0.1450344 -0.2135758), wk = 0.0033333 k( 273) = ( 0.5405683 0.1440516 -0.1890636), wk = 0.0033333 k( 274) = ( 0.5368802 0.1430689 -0.1645514), wk = 0.0033333 k( 275) = ( 0.5331922 0.1420861 -0.1400392), wk = 0.0033333 k( 276) = ( 0.5295042 0.1411033 -0.1155270), wk = 0.0033333 k( 277) = ( 0.5258162 0.1401205 -0.0910149), wk = 0.0033333 k( 278) = ( 0.5221282 0.1391377 -0.0665026), wk = 0.0033333 k( 279) = ( 0.5184401 0.1381549 -0.0419905), wk = 0.0033333 k( 280) = ( 0.5147521 0.1371721 -0.0174783), wk = 0.0033333 k( 281) = ( 0.5110641 0.1361893 0.0070339), wk = 0.0033333 k( 282) = ( 0.5073760 0.1352065 0.0315461), wk = 0.0033333 k( 283) = ( 0.5036880 0.1342237 0.0560583), wk = 0.0033333 k( 284) = ( 0.5000000 0.1332409 0.0805705), wk = 0.0033333 k( 285) = ( 0.5000000 -0.8715296 -0.5270122), wk = 0.0033333 k( 286) = ( 0.5211447 -0.8626469 -0.5216409), wk = 0.0033333 k( 287) = ( 0.5422894 -0.8537642 -0.5162695), wk = 0.0033333 k( 288) = ( 0.5634340 -0.8448815 -0.5108981), wk = 0.0033333 k( 289) = ( 0.5845787 -0.8359987 -0.5055268), wk = 0.0033333 k( 290) = ( 0.6057234 -0.8271160 -0.5001554), wk = 0.0033333 k( 291) = ( 0.6268681 -0.8182332 -0.4947840), wk = 0.0033333 k( 292) = ( 0.6480127 -0.8093505 -0.4894127), wk = 0.0033333 k( 293) = ( 0.6691574 -0.8004678 -0.4840413), wk = 0.0033333 k( 294) = ( 0.6903021 -0.7915851 -0.4786699), wk = 0.0033333 k( 295) = ( 0.7114468 -0.7827023 -0.4732985), wk = 0.0033333 k( 296) = ( 0.7325915 -0.7738196 -0.4679272), wk = 0.0033333 k( 297) = ( 0.7537361 -0.7649369 -0.4625558), wk = 0.0033333 k( 298) = ( 0.7748808 -0.7560542 -0.4571844), wk = 0.0033333 k( 299) = ( 0.7960255 -0.7471714 -0.4518131), wk = 0.0033333 k( 300) = ( 0.8171702 -0.7382887 -0.4464417), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0033333 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0033333 k( 11) = ( 0.1086957 -0.0000000 0.0000000), wk = 0.0033333 k( 12) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0033333 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0033333 k( 14) = ( 0.1413043 -0.0000000 0.0000000), wk = 0.0033333 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0033333 k( 16) = ( 0.1630435 -0.0000000 0.0000000), wk = 0.0033333 k( 17) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0033333 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0033333 k( 19) = ( 0.1956522 -0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0033333 k( 21) = ( 0.2173913 -0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.2282609 -0.0000000 0.0000000), wk = 0.0033333 k( 23) = ( 0.2391304 0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033333 k( 25) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0033333 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0033333 k( 27) = ( 0.2826087 -0.0000000 0.0000000), wk = 0.0033333 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0033333 k( 30) = ( 0.3152174 -0.0000000 0.0000000), wk = 0.0033333 k( 31) = ( 0.3260870 -0.0000000 0.0000000), wk = 0.0033333 k( 32) = ( 0.3369565 -0.0000000 0.0000000), wk = 0.0033333 k( 33) = ( 0.3478261 -0.0000000 0.0000000), wk = 0.0033333 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0033333 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0033333 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0033333 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0033333 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0033333 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0033333 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0033333 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.4456522 -0.0000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.4565217 -0.0000000 0.0000000), wk = 0.0033333 k( 44) = ( 0.4673913 -0.0000000 0.0000000), wk = 0.0033333 k( 45) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0033333 k( 46) = ( 0.4891304 -0.0000000 0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 49) = ( 0.5000000 0.0063045 -0.0063045), wk = 0.0033333 k( 50) = ( 0.5000000 0.0126090 -0.0126089), wk = 0.0033333 k( 51) = ( 0.5000000 0.0189134 -0.0189134), wk = 0.0033333 k( 52) = ( 0.5000000 0.0252179 -0.0252179), wk = 0.0033333 k( 53) = ( 0.5000000 0.0315224 -0.0315224), wk = 0.0033333 k( 54) = ( 0.5000000 0.0378269 -0.0378269), wk = 0.0033333 k( 55) = ( 0.5000000 0.0441313 -0.0441313), wk = 0.0033333 k( 56) = ( 0.5000000 0.0504358 -0.0504358), wk = 0.0033333 k( 57) = ( 0.5000000 0.0567403 -0.0567403), wk = 0.0033333 k( 58) = ( 0.5000000 0.0630448 -0.0630448), wk = 0.0033333 k( 59) = ( 0.5000000 0.0693493 -0.0693492), wk = 0.0033333 k( 60) = ( 0.5000000 0.0756537 -0.0756537), wk = 0.0033333 k( 61) = ( 0.5000000 0.0819582 -0.0819582), wk = 0.0033333 k( 62) = ( 0.5000000 0.0882627 -0.0882627), wk = 0.0033333 k( 63) = ( 0.5000000 0.0945672 -0.0945672), wk = 0.0033333 k( 64) = ( 0.5000000 0.1008716 -0.1008716), wk = 0.0033333 k( 65) = ( 0.5000000 0.1071761 -0.1071761), wk = 0.0033333 k( 66) = ( 0.5000000 0.1134806 -0.1134806), wk = 0.0033333 k( 67) = ( 0.5000000 0.1197851 -0.1197851), wk = 0.0033333 k( 68) = ( 0.5000000 0.1260895 -0.1260895), wk = 0.0033333 k( 69) = ( 0.5000000 0.1323940 -0.1323940), wk = 0.0033333 k( 70) = ( 0.5000000 0.1386985 -0.1386985), wk = 0.0033333 k( 71) = ( 0.5000000 0.1450030 -0.1450030), wk = 0.0033333 k( 72) = ( 0.5000000 0.1513075 -0.1513074), wk = 0.0033333 k( 73) = ( 0.5000000 0.1576119 -0.1576119), wk = 0.0033333 k( 74) = ( 0.5000000 0.1639164 -0.1639164), wk = 0.0033333 k( 75) = ( 0.5000000 0.1702209 -0.1702209), wk = 0.0033333 k( 76) = ( 0.5000000 0.1765254 -0.1765254), wk = 0.0033333 k( 77) = ( 0.5000000 0.1828298 -0.1828298), wk = 0.0033333 k( 78) = ( 0.8171702 0.5000000 0.1828298), wk = 0.0033333 k( 79) = ( 0.8108268 0.5000000 0.1891732), wk = 0.0033333 k( 80) = ( 0.8044834 0.5000000 0.1955166), wk = 0.0033333 k( 81) = ( 0.7981400 0.5000000 0.2018600), wk = 0.0033333 k( 82) = ( 0.7917966 0.5000000 0.2082035), wk = 0.0033333 k( 83) = ( 0.7854532 0.5000000 0.2145469), wk = 0.0033333 k( 84) = ( 0.7791097 0.5000000 0.2208903), wk = 0.0033333 k( 85) = ( 0.7727663 0.5000000 0.2272337), wk = 0.0033333 k( 86) = ( 0.7664229 0.5000000 0.2335771), wk = 0.0033333 k( 87) = ( 0.7600795 0.5000000 0.2399205), wk = 0.0033333 k( 88) = ( 0.7537361 0.5000000 0.2462639), wk = 0.0033333 k( 89) = ( 0.7473927 0.5000000 0.2526073), wk = 0.0033333 k( 90) = ( 0.7410493 0.5000000 0.2589507), wk = 0.0033333 k( 91) = ( 0.7347059 0.5000000 0.2652941), wk = 0.0033333 k( 92) = ( 0.7283625 0.5000000 0.2716375), wk = 0.0033333 k( 93) = ( 0.7220191 0.5000000 0.2779809), wk = 0.0033333 k( 94) = ( 0.7156757 0.5000000 0.2843243), wk = 0.0033333 k( 95) = ( 0.7093323 0.5000000 0.2906677), wk = 0.0033333 k( 96) = ( 0.7029889 0.5000000 0.2970111), wk = 0.0033333 k( 97) = ( 0.6966455 0.5000000 0.3033545), wk = 0.0033333 k( 98) = ( 0.6903021 0.5000000 0.3096979), wk = 0.0033333 k( 99) = ( 0.6839587 0.5000000 0.3160413), wk = 0.0033333 k( 100) = ( 0.6776153 0.5000000 0.3223847), wk = 0.0033333 k( 101) = ( 0.6712719 0.5000000 0.3287281), wk = 0.0033333 k( 102) = ( 0.6649285 0.5000000 0.3350715), wk = 0.0033333 k( 103) = ( 0.6585851 0.5000000 0.3414149), wk = 0.0033333 k( 104) = ( 0.6522417 0.5000000 0.3477583), wk = 0.0033333 k( 105) = ( 0.6458983 0.5000000 0.3541017), wk = 0.0033333 k( 106) = ( 0.6395549 0.5000000 0.3604451), wk = 0.0033333 k( 107) = ( 0.6332115 0.5000000 0.3667885), wk = 0.0033333 k( 108) = ( 0.6268681 0.5000000 0.3731319), wk = 0.0033333 k( 109) = ( 0.6205247 0.5000000 0.3794753), wk = 0.0033333 k( 110) = ( 0.6141813 0.5000000 0.3858187), wk = 0.0033333 k( 111) = ( 0.6078379 0.5000000 0.3921621), wk = 0.0033333 k( 112) = ( 0.6014945 0.5000000 0.3985055), wk = 0.0033333 k( 113) = ( 0.5951511 0.5000000 0.4048490), wk = 0.0033333 k( 114) = ( 0.5888077 0.5000000 0.4111923), wk = 0.0033333 k( 115) = ( 0.5824642 0.5000000 0.4175358), wk = 0.0033333 k( 116) = ( 0.5761208 0.5000000 0.4238792), wk = 0.0033333 k( 117) = ( 0.5697774 0.5000000 0.4302226), wk = 0.0033333 k( 118) = ( 0.5634340 0.5000000 0.4365660), wk = 0.0033333 k( 119) = ( 0.5570906 0.5000000 0.4429094), wk = 0.0033333 k( 120) = ( 0.5507472 0.5000000 0.4492528), wk = 0.0033333 k( 121) = ( 0.5444038 0.5000000 0.4555962), wk = 0.0033333 k( 122) = ( 0.5380604 0.5000000 0.4619396), wk = 0.0033333 k( 123) = ( 0.5317170 0.5000000 0.4682830), wk = 0.0033333 k( 124) = ( 0.5253736 0.5000000 0.4746264), wk = 0.0033333 k( 125) = ( 0.5190302 0.5000000 0.4809698), wk = 0.0033333 k( 126) = ( 0.5126868 0.5000000 0.4873132), wk = 0.0033333 k( 127) = ( 0.5063434 0.5000000 0.4936566), wk = 0.0033333 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 130) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0033333 k( 131) = ( 0.4523810 0.4523809 0.4523810), wk = 0.0033333 k( 132) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0033333 k( 133) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0033333 k( 134) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0033333 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0033333 k( 136) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033333 k( 137) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0033333 k( 138) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0033333 k( 139) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0033333 k( 140) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0033333 k( 141) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0033333 k( 142) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0033333 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033333 k( 144) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0033333 k( 145) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0033333 k( 146) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0033333 k( 147) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0033333 k( 148) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0033333 k( 149) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 152) = ( 0.0063225 -0.0000000 -0.0063225), wk = 0.0033333 k( 153) = ( 0.0126450 -0.0000000 -0.0126450), wk = 0.0033333 k( 154) = ( 0.0189675 0.0000000 -0.0189675), wk = 0.0033333 k( 155) = ( 0.0252900 0.0000000 -0.0252900), wk = 0.0033333 k( 156) = ( 0.0316125 -0.0000000 -0.0316125), wk = 0.0033333 k( 157) = ( 0.0379350 0.0000000 -0.0379350), wk = 0.0033333 k( 158) = ( 0.0442575 -0.0000000 -0.0442575), wk = 0.0033333 k( 159) = ( 0.0505800 0.0000000 -0.0505800), wk = 0.0033333 k( 160) = ( 0.0569025 0.0000000 -0.0569025), wk = 0.0033333 k( 161) = ( 0.0632250 0.0000000 -0.0632250), wk = 0.0033333 k( 162) = ( 0.0695475 0.0000000 -0.0695475), wk = 0.0033333 k( 163) = ( 0.0758700 0.0000000 -0.0758700), wk = 0.0033333 k( 164) = ( 0.0821925 0.0000000 -0.0821925), wk = 0.0033333 k( 165) = ( 0.0885150 -0.0000000 -0.0885150), wk = 0.0033333 k( 166) = ( 0.0948375 -0.0000000 -0.0948375), wk = 0.0033333 k( 167) = ( 0.1011600 0.0000000 -0.1011600), wk = 0.0033333 k( 168) = ( 0.1074825 0.0000000 -0.1074825), wk = 0.0033333 k( 169) = ( 0.1138050 0.0000000 -0.1138050), wk = 0.0033333 k( 170) = ( 0.1201275 -0.0000000 -0.1201275), wk = 0.0033333 k( 171) = ( 0.1264500 0.0000000 -0.1264500), wk = 0.0033333 k( 172) = ( 0.1327725 0.0000000 -0.1327725), wk = 0.0033333 k( 173) = ( 0.1390950 0.0000000 -0.1390950), wk = 0.0033333 k( 174) = ( 0.1454175 -0.0000000 -0.1454175), wk = 0.0033333 k( 175) = ( 0.1517400 0.0000000 -0.1517400), wk = 0.0033333 k( 176) = ( 0.1580625 0.0000000 -0.1580625), wk = 0.0033333 k( 177) = ( 0.1643850 0.0000000 -0.1643850), wk = 0.0033333 k( 178) = ( 0.1707075 -0.0000000 -0.1707075), wk = 0.0033333 k( 179) = ( 0.1770300 -0.0000000 -0.1770300), wk = 0.0033333 k( 180) = ( 0.1833525 -0.0000000 -0.1833525), wk = 0.0033333 k( 181) = ( 0.1896750 -0.0000000 -0.1896750), wk = 0.0033333 k( 182) = ( 0.1959974 -0.0000000 -0.1959974), wk = 0.0033333 k( 183) = ( 0.2023199 -0.0000000 -0.2023199), wk = 0.0033333 k( 184) = ( 0.2086425 -0.0000000 -0.2086424), wk = 0.0033333 k( 185) = ( 0.2149649 -0.0000000 -0.2149649), wk = 0.0033333 k( 186) = ( 0.2212874 -0.0000000 -0.2212874), wk = 0.0033333 k( 187) = ( 0.2276100 0.0000000 -0.2276100), wk = 0.0033333 k( 188) = ( 0.2339324 -0.0000000 -0.2339324), wk = 0.0033333 k( 189) = ( 0.2402549 -0.0000000 -0.2402549), wk = 0.0033333 k( 190) = ( 0.2465774 -0.0000000 -0.2465774), wk = 0.0033333 k( 191) = ( 0.2528999 0.0000000 -0.2528999), wk = 0.0033333 k( 192) = ( 0.2592224 0.0000000 -0.2592224), wk = 0.0033333 k( 193) = ( 0.2655449 0.0000000 -0.2655449), wk = 0.0033333 k( 194) = ( 0.2718674 0.0000000 -0.2718674), wk = 0.0033333 k( 195) = ( 0.2781899 -0.0000000 -0.2781899), wk = 0.0033333 k( 196) = ( 0.2845124 0.0000000 -0.2845124), wk = 0.0033333 k( 197) = ( 0.2908349 0.0000000 -0.2908349), wk = 0.0033333 k( 198) = ( 0.2971574 0.0000000 -0.2971574), wk = 0.0033333 k( 199) = ( 0.3034799 0.0000000 -0.3034799), wk = 0.0033333 k( 200) = ( 0.3098024 0.0000000 -0.3098024), wk = 0.0033333 k( 201) = ( 0.3161249 0.0000000 -0.3161249), wk = 0.0033333 k( 202) = ( 0.3224474 -0.0000000 -0.3224474), wk = 0.0033333 k( 203) = ( 0.3287699 0.0000000 -0.3287699), wk = 0.0033333 k( 204) = ( 0.3350924 -0.0000000 -0.3350924), wk = 0.0033333 k( 205) = ( 0.3414149 -0.0000000 -0.3414149), wk = 0.0033333 k( 206) = ( 0.6585851 0.3414149 0.0000000), wk = 0.0033333 k( 207) = ( 0.6522417 0.3477583 0.0000000), wk = 0.0033333 k( 208) = ( 0.6458983 0.3541017 0.0000000), wk = 0.0033333 k( 209) = ( 0.6395549 0.3604451 0.0000000), wk = 0.0033333 k( 210) = ( 0.6332115 0.3667885 0.0000000), wk = 0.0033333 k( 211) = ( 0.6268681 0.3731319 0.0000000), wk = 0.0033333 k( 212) = ( 0.6205247 0.3794753 0.0000000), wk = 0.0033333 k( 213) = ( 0.6141813 0.3858187 0.0000000), wk = 0.0033333 k( 214) = ( 0.6078379 0.3921621 0.0000000), wk = 0.0033333 k( 215) = ( 0.6014945 0.3985055 0.0000000), wk = 0.0033333 k( 216) = ( 0.5951511 0.4048489 0.0000000), wk = 0.0033333 k( 217) = ( 0.5888077 0.4111923 0.0000000), wk = 0.0033333 k( 218) = ( 0.5824642 0.4175358 0.0000000), wk = 0.0033333 k( 219) = ( 0.5761208 0.4238792 0.0000000), wk = 0.0033333 k( 220) = ( 0.5697774 0.4302226 0.0000000), wk = 0.0033333 k( 221) = ( 0.5634340 0.4365660 -0.0000000), wk = 0.0033333 k( 222) = ( 0.5570906 0.4429094 -0.0000000), wk = 0.0033333 k( 223) = ( 0.5507472 0.4492528 0.0000000), wk = 0.0033333 k( 224) = ( 0.5444038 0.4555962 0.0000000), wk = 0.0033333 k( 225) = ( 0.5380604 0.4619396 0.0000000), wk = 0.0033333 k( 226) = ( 0.5317170 0.4682830 0.0000000), wk = 0.0033333 k( 227) = ( 0.5253736 0.4746264 0.0000000), wk = 0.0033333 k( 228) = ( 0.5190302 0.4809698 0.0000000), wk = 0.0033333 k( 229) = ( 0.5126868 0.4873132 0.0000000), wk = 0.0033333 k( 230) = ( 0.5063434 0.4936566 0.0000000), wk = 0.0033333 k( 231) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 232) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 233) = ( 0.5198231 0.5198231 0.0228537), wk = 0.0033333 k( 234) = ( 0.5396463 0.5396463 0.0457075), wk = 0.0033333 k( 235) = ( 0.5594694 0.5594694 0.0685612), wk = 0.0033333 k( 236) = ( 0.5792925 0.5792925 0.0914149), wk = 0.0033333 k( 237) = ( 0.5991157 0.5991157 0.1142686), wk = 0.0033333 k( 238) = ( 0.6189388 0.6189388 0.1371224), wk = 0.0033333 k( 239) = ( 0.6387620 0.6387620 0.1599761), wk = 0.0033333 k( 240) = ( 0.6585851 0.6585851 0.1828298), wk = 0.0033333 k( 241) = ( 0.6585851 0.6585851 0.1828298), wk = 0.0033333 k( 242) = ( 0.6548971 0.6548971 0.1902059), wk = 0.0033333 k( 243) = ( 0.6512090 0.6512090 0.1975819), wk = 0.0033333 k( 244) = ( 0.6475210 0.6475210 0.2049580), wk = 0.0033333 k( 245) = ( 0.6438330 0.6438330 0.2123340), wk = 0.0033333 k( 246) = ( 0.6401450 0.6401450 0.2197101), wk = 0.0033333 k( 247) = ( 0.6364569 0.6364569 0.2270861), wk = 0.0033333 k( 248) = ( 0.6327689 0.6327689 0.2344622), wk = 0.0033333 k( 249) = ( 0.6290809 0.6290809 0.2418382), wk = 0.0033333 k( 250) = ( 0.6253929 0.6253929 0.2492143), wk = 0.0033333 k( 251) = ( 0.6217048 0.6217048 0.2565903), wk = 0.0033333 k( 252) = ( 0.6180168 0.6180168 0.2639664), wk = 0.0033333 k( 253) = ( 0.6143288 0.6143288 0.2713424), wk = 0.0033333 k( 254) = ( 0.6106407 0.6106407 0.2787185), wk = 0.0033333 k( 255) = ( 0.6069527 0.6069527 0.2860945), wk = 0.0033333 k( 256) = ( 0.6032647 0.6032647 0.2934706), wk = 0.0033333 k( 257) = ( 0.5995767 0.5995767 0.3008466), wk = 0.0033333 k( 258) = ( 0.5958887 0.5958887 0.3082227), wk = 0.0033333 k( 259) = ( 0.5922006 0.5922006 0.3155987), wk = 0.0033333 k( 260) = ( 0.5885126 0.5885126 0.3229748), wk = 0.0033333 k( 261) = ( 0.5848246 0.5848246 0.3303508), wk = 0.0033333 k( 262) = ( 0.5811365 0.5811365 0.3377269), wk = 0.0033333 k( 263) = ( 0.5774485 0.5774485 0.3451029), wk = 0.0033333 k( 264) = ( 0.5737605 0.5737605 0.3524790), wk = 0.0033333 k( 265) = ( 0.5700725 0.5700725 0.3598550), wk = 0.0033333 k( 266) = ( 0.5663845 0.5663845 0.3672311), wk = 0.0033333 k( 267) = ( 0.5626964 0.5626964 0.3746072), wk = 0.0033333 k( 268) = ( 0.5590084 0.5590084 0.3819832), wk = 0.0033333 k( 269) = ( 0.5553204 0.5553204 0.3893593), wk = 0.0033333 k( 270) = ( 0.5516323 0.5516323 0.3967353), wk = 0.0033333 k( 271) = ( 0.5479443 0.5479443 0.4041113), wk = 0.0033333 k( 272) = ( 0.5442563 0.5442563 0.4114874), wk = 0.0033333 k( 273) = ( 0.5405683 0.5405683 0.4188635), wk = 0.0033333 k( 274) = ( 0.5368802 0.5368802 0.4262395), wk = 0.0033333 k( 275) = ( 0.5331922 0.5331922 0.4336156), wk = 0.0033333 k( 276) = ( 0.5295042 0.5295042 0.4409916), wk = 0.0033333 k( 277) = ( 0.5258162 0.5258162 0.4483677), wk = 0.0033333 k( 278) = ( 0.5221282 0.5221282 0.4557437), wk = 0.0033333 k( 279) = ( 0.5184401 0.5184401 0.4631198), wk = 0.0033333 k( 280) = ( 0.5147521 0.5147521 0.4704958), wk = 0.0033333 k( 281) = ( 0.5110641 0.5110641 0.4778719), wk = 0.0033333 k( 282) = ( 0.5073760 0.5073760 0.4852479), wk = 0.0033333 k( 283) = ( 0.5036880 0.5036880 0.4926240), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 285) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 286) = ( 0.5211447 0.0227610 0.0227610), wk = 0.0033333 k( 287) = ( 0.5422894 0.0455220 0.0455220), wk = 0.0033333 k( 288) = ( 0.5634340 0.0682830 0.0682830), wk = 0.0033333 k( 289) = ( 0.5845787 0.0910440 0.0910440), wk = 0.0033333 k( 290) = ( 0.6057234 0.1138050 0.1138050), wk = 0.0033333 k( 291) = ( 0.6268681 0.1365660 0.1365660), wk = 0.0033333 k( 292) = ( 0.6480127 0.1593270 0.1593270), wk = 0.0033333 k( 293) = ( 0.6691574 0.1820880 0.1820880), wk = 0.0033333 k( 294) = ( 0.6903021 0.2048489 0.2048490), wk = 0.0033333 k( 295) = ( 0.7114468 0.2276099 0.2276100), wk = 0.0033333 k( 296) = ( 0.7325915 0.2503709 0.2503709), wk = 0.0033333 k( 297) = ( 0.7537361 0.2731319 0.2731319), wk = 0.0033333 k( 298) = ( 0.7748808 0.2958929 0.2958929), wk = 0.0033333 k( 299) = ( 0.7960255 0.3186539 0.3186539), wk = 0.0033333 k( 300) = ( 0.8171702 0.3414149 0.3414149), wk = 0.0033333 Dense grid: 50011 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 29131 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 202, 44) NL pseudopotentials 0.21 Mb ( 101, 136) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1388) G-vector shells 0.01 Mb ( 1152) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 202, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YTlS2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.6 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.7 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.3 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.8 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.8 secs Computing kpt #: 33 total cpu time spent up to now is 21.5 secs Computing kpt #: 34 total cpu time spent up to now is 22.1 secs Computing kpt #: 35 total cpu time spent up to now is 22.8 secs Computing kpt #: 36 total cpu time spent up to now is 23.4 secs Computing kpt #: 37 total cpu time spent up to now is 24.1 secs Computing kpt #: 38 total cpu time spent up to now is 24.8 secs Computing kpt #: 39 total cpu time spent up to now is 25.5 secs Computing kpt #: 40 total cpu time spent up to now is 26.1 secs Computing kpt #: 41 total cpu time spent up to now is 26.8 secs Computing kpt #: 42 total cpu time spent up to now is 27.5 secs Computing kpt #: 43 total cpu time spent up to now is 28.1 secs Computing kpt #: 44 total cpu time spent up to now is 28.8 secs Computing kpt #: 45 total cpu time spent up to now is 29.5 secs Computing kpt #: 46 total cpu time spent up to now is 30.1 secs Computing kpt #: 47 total cpu time spent up to now is 30.8 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.1 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.5 secs Computing kpt #: 52 total cpu time spent up to now is 34.1 secs Computing kpt #: 53 total cpu time spent up to now is 34.8 secs Computing kpt #: 54 total cpu time spent up to now is 35.5 secs Computing kpt #: 55 total cpu time spent up to now is 36.1 secs Computing kpt #: 56 total cpu time spent up to now is 36.8 secs Computing kpt #: 57 total cpu time spent up to now is 37.5 secs Computing kpt #: 58 total cpu time spent up to now is 38.2 secs Computing kpt #: 59 total cpu time spent up to now is 38.9 secs Computing kpt #: 60 total cpu time spent up to now is 39.6 secs Computing kpt #: 61 total cpu time spent up to now is 40.2 secs Computing kpt #: 62 total cpu time spent up to now is 40.9 secs Computing kpt #: 63 total cpu time spent up to now is 41.6 secs Computing kpt #: 64 total cpu time spent up to now is 42.2 secs Computing kpt #: 65 total cpu time spent up to now is 42.8 secs Computing kpt #: 66 total cpu time spent up to now is 43.4 secs Computing kpt #: 67 total cpu time spent up to now is 44.0 secs Computing kpt #: 68 total cpu time spent up to now is 44.6 secs Computing kpt #: 69 total cpu time spent up to now is 45.2 secs Computing kpt #: 70 total cpu time spent up to now is 45.8 secs Computing kpt #: 71 total cpu time spent up to now is 46.3 secs Computing kpt #: 72 total cpu time spent up to now is 46.9 secs Computing kpt #: 73 total cpu time spent up to now is 47.5 secs Computing kpt #: 74 total cpu time spent up to now is 48.1 secs Computing kpt #: 75 total cpu time spent up to now is 48.6 secs Computing kpt #: 76 total cpu time spent up to now is 49.2 secs Computing kpt #: 77 total cpu time spent up to now is 49.8 secs Computing kpt #: 78 total cpu time spent up to now is 50.4 secs Computing kpt #: 79 total cpu time spent up to now is 50.9 secs Computing kpt #: 80 total cpu time spent up to now is 51.5 secs Computing kpt #: 81 total cpu time spent up to now is 52.2 secs Computing kpt #: 82 total cpu time spent up to now is 52.8 secs Computing kpt #: 83 total cpu time spent up to now is 53.4 secs Computing kpt #: 84 total cpu time spent up to now is 54.1 secs Computing kpt #: 85 total cpu time spent up to now is 54.7 secs Computing kpt #: 86 total cpu time spent up to now is 55.3 secs Computing kpt #: 87 total cpu time spent up to now is 55.8 secs Computing kpt #: 88 total cpu time spent up to now is 56.4 secs Computing kpt #: 89 total cpu time spent up to now is 57.0 secs Computing kpt #: 90 total cpu time spent up to now is 57.6 secs Computing kpt #: 91 total cpu time spent up to now is 58.2 secs Computing kpt #: 92 total cpu time spent up to now is 58.7 secs Computing kpt #: 93 total cpu time spent up to now is 59.3 secs Computing kpt #: 94 total cpu time spent up to now is 59.9 secs Computing kpt #: 95 total cpu time spent up to now is 60.4 secs Computing kpt #: 96 total cpu time spent up to now is 61.0 secs Computing kpt #: 97 total cpu time spent up to now is 61.6 secs Computing kpt #: 98 total cpu time spent up to now is 62.2 secs Computing kpt #: 99 total cpu time spent up to now is 62.7 secs Computing kpt #: 100 total cpu time spent up to now is 63.4 secs Computing kpt #: 101 total cpu time spent up to now is 64.1 secs Computing kpt #: 102 total cpu time spent up to now is 64.7 secs Computing kpt #: 103 total cpu time spent up to now is 65.4 secs Computing kpt #: 104 total cpu time spent up to now is 66.1 secs Computing kpt #: 105 total cpu time spent up to now is 66.8 secs Computing kpt #: 106 total cpu time spent up to now is 67.5 secs Computing kpt #: 107 total cpu time spent up to now is 68.1 secs Computing kpt #: 108 total cpu time spent up to now is 68.6 secs Computing kpt #: 109 total cpu time spent up to now is 69.2 secs Computing kpt #: 110 total cpu time spent up to now is 69.7 secs Computing kpt #: 111 total cpu time spent up to now is 70.2 secs Computing kpt #: 112 total cpu time spent up to now is 70.8 secs Computing kpt #: 113 total cpu time spent up to now is 71.3 secs Computing kpt #: 114 total cpu time spent up to now is 71.8 secs Computing kpt #: 115 total cpu time spent up to now is 72.4 secs Computing kpt #: 116 total cpu time spent up to now is 72.9 secs Computing kpt #: 117 total cpu time spent up to now is 73.4 secs Computing kpt #: 118 total cpu time spent up to now is 74.0 secs Computing kpt #: 119 total cpu time spent up to now is 74.5 secs Computing kpt #: 120 total cpu time spent up to now is 75.0 secs Computing kpt #: 121 total cpu time spent up to now is 75.5 secs Computing kpt #: 122 total cpu time spent up to now is 76.1 secs Computing kpt #: 123 total cpu time spent up to now is 76.6 secs Computing kpt #: 124 total cpu time spent up to now is 77.1 secs Computing kpt #: 125 total cpu time spent up to now is 77.6 secs Computing kpt #: 126 total cpu time spent up to now is 78.1 secs Computing kpt #: 127 total cpu time spent up to now is 78.7 secs Computing kpt #: 128 total cpu time spent up to now is 79.2 secs Computing kpt #: 129 total cpu time spent up to now is 79.7 secs Computing kpt #: 130 total cpu time spent up to now is 80.2 secs Computing kpt #: 131 total cpu time spent up to now is 80.7 secs Computing kpt #: 132 total cpu time spent up to now is 81.3 secs Computing kpt #: 133 total cpu time spent up to now is 81.8 secs Computing kpt #: 134 total cpu time spent up to now is 82.3 secs Computing kpt #: 135 total cpu time spent up to now is 82.8 secs Computing kpt #: 136 total cpu time spent up to now is 83.3 secs Computing kpt #: 137 total cpu time spent up to now is 83.8 secs Computing kpt #: 138 total cpu time spent up to now is 84.3 secs Computing kpt #: 139 total cpu time spent up to now is 84.9 secs Computing kpt #: 140 total cpu time spent up to now is 85.4 secs Computing kpt #: 141 total cpu time spent up to now is 85.9 secs Computing kpt #: 142 total cpu time spent up to now is 86.4 secs Computing kpt #: 143 total cpu time spent up to now is 86.9 secs Computing kpt #: 144 total cpu time spent up to now is 87.4 secs Computing kpt #: 145 total cpu time spent up to now is 88.0 secs Computing kpt #: 146 total cpu time spent up to now is 88.5 secs Computing kpt #: 147 total cpu time spent up to now is 89.0 secs Computing kpt #: 148 total cpu time spent up to now is 89.5 secs Computing kpt #: 149 total cpu time spent up to now is 90.0 secs Computing kpt #: 150 total cpu time spent up to now is 90.5 secs Computing kpt #: 151 total cpu time spent up to now is 91.0 secs Computing kpt #: 152 total cpu time spent up to now is 91.6 secs Computing kpt #: 153 total cpu time spent up to now is 92.1 secs Computing kpt #: 154 total cpu time spent up to now is 92.6 secs Computing kpt #: 155 total cpu time spent up to now is 93.1 secs Computing kpt #: 156 total cpu time spent up to now is 93.6 secs Computing kpt #: 157 total cpu time spent up to now is 94.1 secs Computing kpt #: 158 total cpu time spent up to now is 94.6 secs Computing kpt #: 159 total cpu time spent up to now is 95.2 secs Computing kpt #: 160 total cpu time spent up to now is 95.7 secs Computing kpt #: 161 total cpu time spent up to now is 96.2 secs Computing kpt #: 162 total cpu time spent up to now is 96.7 secs Computing kpt #: 163 total cpu time spent up to now is 97.3 secs Computing kpt #: 164 total cpu time spent up to now is 97.8 secs Computing kpt #: 165 total cpu time spent up to now is 98.3 secs Computing kpt #: 166 total cpu time spent up to now is 98.9 secs Computing kpt #: 167 total cpu time spent up to now is 99.4 secs Computing kpt #: 168 total cpu time spent up to now is 100.0 secs Computing kpt #: 169 total cpu time spent up to now is 100.6 secs Computing kpt #: 170 total cpu time spent up to now is 101.1 secs Computing kpt #: 171 total cpu time spent up to now is 101.8 secs Computing kpt #: 172 total cpu time spent up to now is 102.4 secs Computing kpt #: 173 total cpu time spent up to now is 103.0 secs Computing kpt #: 174 total cpu time spent up to now is 103.7 secs Computing kpt #: 175 total cpu time spent up to now is 104.2 secs Computing kpt #: 176 total cpu time spent up to now is 104.9 secs Computing kpt #: 177 total cpu time spent up to now is 105.6 secs Computing kpt #: 178 total cpu time spent up to now is 106.2 secs Computing kpt #: 179 total cpu time spent up to now is 106.9 secs Computing kpt #: 180 total cpu time spent up to now is 107.5 secs Computing kpt #: 181 total cpu time spent up to now is 108.3 secs Computing kpt #: 182 total cpu time spent up to now is 108.9 secs Computing kpt #: 183 total cpu time spent up to now is 109.6 secs Computing kpt #: 184 total cpu time spent up to now is 110.3 secs Computing kpt #: 185 total cpu time spent up to now is 111.0 secs Computing kpt #: 186 total cpu time spent up to now is 111.7 secs Computing kpt #: 187 total cpu time spent up to now is 112.5 secs Computing kpt #: 188 total cpu time spent up to now is 113.2 secs Computing kpt #: 189 total cpu time spent up to now is 113.9 secs Computing kpt #: 190 total cpu time spent up to now is 114.6 secs Computing kpt #: 191 total cpu time spent up to now is 115.3 secs Computing kpt #: 192 total cpu time spent up to now is 115.9 secs Computing kpt #: 193 total cpu time spent up to now is 116.6 secs Computing kpt #: 194 total cpu time spent up to now is 117.2 secs Computing kpt #: 195 total cpu time spent up to now is 117.9 secs Computing kpt #: 196 total cpu time spent up to now is 118.6 secs Computing kpt #: 197 total cpu time spent up to now is 119.2 secs Computing kpt #: 198 total cpu time spent up to now is 119.7 secs Computing kpt #: 199 total cpu time spent up to now is 120.3 secs Computing kpt #: 200 total cpu time spent up to now is 120.9 secs Computing kpt #: 201 total cpu time spent up to now is 121.5 secs Computing kpt #: 202 total cpu time spent up to now is 122.0 secs Computing kpt #: 203 total cpu time spent up to now is 122.6 secs Computing kpt #: 204 total cpu time spent up to now is 123.2 secs Computing kpt #: 205 total cpu time spent up to now is 123.8 secs Computing kpt #: 206 total cpu time spent up to now is 124.3 secs Computing kpt #: 207 total cpu time spent up to now is 124.9 secs Computing kpt #: 208 total cpu time spent up to now is 125.5 secs Computing kpt #: 209 total cpu time spent up to now is 126.1 secs Computing kpt #: 210 total cpu time spent up to now is 126.6 secs Computing kpt #: 211 total cpu time spent up to now is 127.2 secs Computing kpt #: 212 total cpu time spent up to now is 127.8 secs Computing kpt #: 213 total cpu time spent up to now is 128.4 secs Computing kpt #: 214 total cpu time spent up to now is 129.0 secs Computing kpt #: 215 total cpu time spent up to now is 129.6 secs Computing kpt #: 216 total cpu time spent up to now is 130.2 secs Computing kpt #: 217 total cpu time spent up to now is 130.8 secs Computing kpt #: 218 total cpu time spent up to now is 131.5 secs Computing kpt #: 219 total cpu time spent up to now is 132.2 secs Computing kpt #: 220 total cpu time spent up to now is 132.8 secs Computing kpt #: 221 total cpu time spent up to now is 133.5 secs Computing kpt #: 222 total cpu time spent up to now is 134.2 secs Computing kpt #: 223 total cpu time spent up to now is 134.8 secs Computing kpt #: 224 total cpu time spent up to now is 135.5 secs Computing kpt #: 225 total cpu time spent up to now is 136.2 secs Computing kpt #: 226 total cpu time spent up to now is 136.9 secs Computing kpt #: 227 total cpu time spent up to now is 137.5 secs Computing kpt #: 228 total cpu time spent up to now is 138.4 secs Computing kpt #: 229 total cpu time spent up to now is 139.1 secs Computing kpt #: 230 total cpu time spent up to now is 139.8 secs Computing kpt #: 231 total cpu time spent up to now is 140.5 secs Computing kpt #: 232 total cpu time spent up to now is 141.3 secs Computing kpt #: 233 total cpu time spent up to now is 141.9 secs Computing kpt #: 234 total cpu time spent up to now is 142.6 secs Computing kpt #: 235 total cpu time spent up to now is 143.3 secs Computing kpt #: 236 total cpu time spent up to now is 144.0 secs Computing kpt #: 237 total cpu time spent up to now is 144.7 secs Computing kpt #: 238 total cpu time spent up to now is 145.4 secs Computing kpt #: 239 total cpu time spent up to now is 146.1 secs Computing kpt #: 240 total cpu time spent up to now is 146.8 secs Computing kpt #: 241 total cpu time spent up to now is 147.4 secs Computing kpt #: 242 total cpu time spent up to now is 148.1 secs Computing kpt #: 243 total cpu time spent up to now is 148.8 secs Computing kpt #: 244 total cpu time spent up to now is 149.5 secs Computing kpt #: 245 total cpu time spent up to now is 150.1 secs Computing kpt #: 246 total cpu time spent up to now is 150.8 secs Computing kpt #: 247 total cpu time spent up to now is 151.5 secs Computing kpt #: 248 total cpu time spent up to now is 152.1 secs Computing kpt #: 249 total cpu time spent up to now is 152.8 secs Computing kpt #: 250 total cpu time spent up to now is 153.5 secs Computing kpt #: 251 total cpu time spent up to now is 154.1 secs Computing kpt #: 252 total cpu time spent up to now is 154.8 secs Computing kpt #: 253 total cpu time spent up to now is 155.5 secs Computing kpt #: 254 total cpu time spent up to now is 156.2 secs Computing kpt #: 255 total cpu time spent up to now is 156.8 secs Computing kpt #: 256 total cpu time spent up to now is 157.4 secs Computing kpt #: 257 total cpu time spent up to now is 158.0 secs Computing kpt #: 258 total cpu time spent up to now is 158.7 secs Computing kpt #: 259 total cpu time spent up to now is 159.2 secs Computing kpt #: 260 total cpu time spent up to now is 159.8 secs Computing kpt #: 261 total cpu time spent up to now is 160.4 secs Computing kpt #: 262 total cpu time spent up to now is 161.0 secs Computing kpt #: 263 total cpu time spent up to now is 161.5 secs Computing kpt #: 264 total cpu time spent up to now is 162.1 secs Computing kpt #: 265 total cpu time spent up to now is 162.6 secs Computing kpt #: 266 total cpu time spent up to now is 163.2 secs Computing kpt #: 267 total cpu time spent up to now is 163.7 secs Computing kpt #: 268 total cpu time spent up to now is 164.2 secs Computing kpt #: 269 total cpu time spent up to now is 164.8 secs Computing kpt #: 270 total cpu time spent up to now is 165.3 secs Computing kpt #: 271 total cpu time spent up to now is 165.8 secs Computing kpt #: 272 total cpu time spent up to now is 166.4 secs Computing kpt #: 273 total cpu time spent up to now is 166.9 secs Computing kpt #: 274 total cpu time spent up to now is 167.4 secs Computing kpt #: 275 total cpu time spent up to now is 168.0 secs Computing kpt #: 276 total cpu time spent up to now is 168.5 secs Computing kpt #: 277 total cpu time spent up to now is 169.0 secs Computing kpt #: 278 total cpu time spent up to now is 169.6 secs Computing kpt #: 279 total cpu time spent up to now is 170.1 secs Computing kpt #: 280 total cpu time spent up to now is 170.6 secs Computing kpt #: 281 total cpu time spent up to now is 171.2 secs Computing kpt #: 282 total cpu time spent up to now is 171.7 secs Computing kpt #: 283 total cpu time spent up to now is 172.2 secs Computing kpt #: 284 total cpu time spent up to now is 172.7 secs Computing kpt #: 285 total cpu time spent up to now is 173.4 secs Computing kpt #: 286 total cpu time spent up to now is 174.1 secs Computing kpt #: 287 total cpu time spent up to now is 174.7 secs Computing kpt #: 288 total cpu time spent up to now is 175.4 secs Computing kpt #: 289 total cpu time spent up to now is 176.1 secs Computing kpt #: 290 total cpu time spent up to now is 176.7 secs Computing kpt #: 291 total cpu time spent up to now is 177.4 secs Computing kpt #: 292 total cpu time spent up to now is 178.1 secs Computing kpt #: 293 total cpu time spent up to now is 178.7 secs Computing kpt #: 294 total cpu time spent up to now is 179.4 secs Computing kpt #: 295 total cpu time spent up to now is 180.1 secs Computing kpt #: 296 total cpu time spent up to now is 180.8 secs Computing kpt #: 297 total cpu time spent up to now is 181.5 secs Computing kpt #: 298 total cpu time spent up to now is 182.1 secs Computing kpt #: 299 total cpu time spent up to now is 182.8 secs Computing kpt #: 300 total cpu time spent up to now is 183.5 secs ethr = 2.78E-08, avg # of iterations = 19.8 total cpu time spent up to now is 183.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3655 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9603 -4.9603 -4.4459 -4.4459 -4.3724 -4.3724 -4.1872 -4.1872 -2.3047 -2.3047 -2.2245 -2.2245 -2.1962 -2.1962 1.1858 1.1858 5.1057 5.1057 5.1371 5.1371 5.4899 5.4899 5.5521 5.5521 6.3499 6.3499 6.4299 6.4299 10.0100 10.0100 10.0146 10.0146 10.2827 10.2827 10.7888 10.7888 k = 0.0109-0.0189-0.0115 ( 3645 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6097 -14.6097 -14.5189 -14.5189 -4.9595 -4.9595 -4.4460 -4.4460 -4.3727 -4.3727 -4.1869 -4.1869 -2.3046 -2.3046 -2.2244 -2.2244 -2.1961 -2.1961 1.1870 1.1870 5.1011 5.1011 5.1333 5.1333 5.4815 5.4815 5.5653 5.5653 6.3498 6.3498 6.4296 6.4296 10.0102 10.0102 10.0157 10.0157 10.2845 10.2845 10.7845 10.7845 k = 0.0217-0.0379-0.0229 ( 3645 PWs) bands (ev): -35.0723 -35.0723 -16.0121 -16.0121 -14.6098 -14.6098 -14.5193 -14.5193 -4.9570 -4.9570 -4.4464 -4.4464 -4.3737 -4.3737 -4.1857 -4.1857 -2.3044 -2.3044 -2.2242 -2.2242 -2.1960 -2.1960 1.1907 1.1907 5.0827 5.0827 5.1278 5.1278 5.4648 5.4648 5.5949 5.5949 6.3493 6.3493 6.4286 6.4286 10.0081 10.0081 10.0213 10.0213 10.2901 10.2901 10.7720 10.7720 k = 0.0326-0.0568-0.0344 ( 3653 PWs) bands (ev): -35.0722 -35.0722 -16.0123 -16.0123 -14.6099 -14.6099 -14.5200 -14.5200 -4.9530 -4.9530 -4.4471 -4.4471 -4.3752 -4.3752 -4.1839 -4.1839 -2.3039 -2.3039 -2.2238 -2.2238 -2.1959 -2.1959 1.1967 1.1967 5.0492 5.0492 5.1259 5.1259 5.4453 5.4453 5.6315 5.6315 6.3479 6.3479 6.4276 6.4276 10.0032 10.0032 10.0316 10.0316 10.2996 10.2996 10.7517 10.7517 k = 0.0435-0.0758-0.0458 ( 3649 PWs) bands (ev): -35.0722 -35.0722 -16.0127 -16.0127 -14.6100 -14.6100 -14.5210 -14.5210 -4.9474 -4.9474 -4.4480 -4.4480 -4.3772 -4.3772 -4.1815 -4.1815 -2.3032 -2.3032 -2.2232 -2.2232 -2.1957 -2.1957 1.2051 1.2051 5.0059 5.0059 5.1261 5.1261 5.4233 5.4233 5.6710 5.6710 6.3451 6.3451 6.4272 6.4272 9.9956 9.9956 10.0461 10.0461 10.3135 10.3135 10.7244 10.7244 k = 0.0543-0.0947-0.0573 ( 3649 PWs) bands (ev): -35.0721 -35.0721 -16.0132 -16.0132 -14.6101 -14.6101 -14.5222 -14.5222 -4.9402 -4.9402 -4.4492 -4.4492 -4.3797 -4.3797 -4.1784 -4.1784 -2.3024 -2.3024 -2.2225 -2.2225 -2.1954 -2.1954 1.2159 1.2159 4.9569 4.9569 5.1272 5.1272 5.3980 5.3980 5.7113 5.7113 6.3399 6.3399 6.4284 6.4284 9.9852 9.9852 10.0645 10.0645 10.3320 10.3320 10.6911 10.6911 k = 0.0652-0.1137-0.0687 ( 3643 PWs) bands (ev): -35.0719 -35.0719 -16.0137 -16.0137 -14.6103 -14.6103 -14.5237 -14.5237 -4.9315 -4.9315 -4.4508 -4.4508 -4.3823 -4.3823 -4.1749 -4.1749 -2.3014 -2.3014 -2.2217 -2.2217 -2.1951 -2.1951 1.2290 1.2290 4.9049 4.9049 5.1289 5.1289 5.3687 5.3687 5.7507 5.7507 6.3319 6.3319 6.4314 6.4314 9.9720 9.9720 10.0867 10.0867 10.3551 10.3551 10.6532 10.6532 k = 0.0761-0.1326-0.0802 ( 3639 PWs) bands (ev): -35.0718 -35.0718 -16.0144 -16.0144 -14.6106 -14.6106 -14.5255 -14.5255 -4.9214 -4.9214 -4.4528 -4.4528 -4.3851 -4.3851 -4.1709 -4.1709 -2.3003 -2.3003 -2.2207 -2.2207 -2.1947 -2.1947 1.2443 1.2443 4.8516 4.8516 5.1310 5.1310 5.3353 5.3353 5.7885 5.7885 6.3210 6.3210 6.4363 6.4363 9.9560 9.9560 10.1125 10.1125 10.3825 10.3825 10.6121 10.6121 k = 0.0870-0.1516-0.0917 ( 3635 PWs) bands (ev): -35.0716 -35.0716 -16.0152 -16.0152 -14.6108 -14.6108 -14.5275 -14.5275 -4.9098 -4.9098 -4.4551 -4.4551 -4.3878 -4.3878 -4.1666 -4.1666 -2.2990 -2.2990 -2.2197 -2.2197 -2.1941 -2.1941 1.2618 1.2618 4.7982 4.7982 5.1332 5.1332 5.2977 5.2977 5.8240 5.8240 6.3074 6.3074 6.4424 6.4424 9.9376 9.9376 10.1414 10.1414 10.4136 10.4136 10.5696 10.5696 k = 0.0978-0.1705-0.1031 ( 3631 PWs) bands (ev): -35.0714 -35.0714 -16.0160 -16.0160 -14.6112 -14.6112 -14.5296 -14.5296 -4.8969 -4.8969 -4.4579 -4.4579 -4.3904 -4.3904 -4.1621 -4.1621 -2.2976 -2.2976 -2.2185 -2.2185 -2.1935 -2.1935 1.2813 1.2813 4.7455 4.7455 5.1355 5.1355 5.2560 5.2560 5.8570 5.8570 6.2915 6.2915 6.4486 6.4486 9.9169 9.9169 10.1732 10.1732 10.4465 10.4465 10.5288 10.5288 k = 0.1087-0.1895-0.1146 ( 3629 PWs) bands (ev): -35.0712 -35.0712 -16.0170 -16.0170 -14.6115 -14.6115 -14.5320 -14.5320 -4.8827 -4.8827 -4.4610 -4.4610 -4.3928 -4.3928 -4.1573 -4.1573 -2.2962 -2.2962 -2.2173 -2.2173 -2.1928 -2.1928 1.3029 1.3029 4.6942 4.6942 5.1371 5.1371 5.2112 5.2112 5.8874 5.8874 6.2739 6.2739 6.4540 6.4540 9.8942 9.8942 10.2075 10.2075 10.4638 10.4638 10.5081 10.5081 k = 0.1196-0.2084-0.1260 ( 3624 PWs) bands (ev): -35.0710 -35.0710 -16.0180 -16.0180 -14.6120 -14.6120 -14.5345 -14.5345 -4.8673 -4.8673 -4.4645 -4.4645 -4.3950 -4.3950 -4.1524 -4.1524 -2.2946 -2.2946 -2.2160 -2.2160 -2.1919 -2.1919 1.3264 1.3264 4.6449 4.6449 5.1337 5.1337 5.1676 5.1676 5.9154 5.9154 6.2548 6.2548 6.4573 6.4573 9.8698 9.8698 10.2432 10.2432 10.4363 10.4363 10.5382 10.5382 k = 0.1304-0.2274-0.1375 ( 3620 PWs) bands (ev): -35.0707 -35.0707 -16.0191 -16.0191 -14.6125 -14.6125 -14.5372 -14.5372 -4.8508 -4.8508 -4.4683 -4.4683 -4.3968 -4.3968 -4.1473 -4.1473 -2.2930 -2.2930 -2.2146 -2.2146 -2.1909 -2.1909 1.3516 1.3516 4.5980 4.5980 5.0993 5.0993 5.1515 5.1515 5.9408 5.9408 6.2348 6.2348 6.4576 6.4576 9.8437 9.8437 10.2786 10.2786 10.4055 10.4055 10.5804 10.5804 k = 0.1413-0.2463-0.1489 ( 3618 PWs) bands (ev): -35.0705 -35.0705 -16.0203 -16.0203 -14.6131 -14.6131 -14.5400 -14.5400 -4.8334 -4.8334 -4.4723 -4.4723 -4.3983 -4.3983 -4.1422 -4.1422 -2.2914 -2.2914 -2.2133 -2.2133 -2.1898 -2.1898 1.3786 1.3786 4.5538 4.5538 5.0456 5.0456 5.1517 5.1517 5.9637 5.9637 6.2142 6.2142 6.4542 6.4542 9.8160 9.8160 10.3063 10.3063 10.3877 10.3877 10.6258 10.6258 k = 0.1522-0.2652-0.1604 ( 3616 PWs) bands (ev): -35.0702 -35.0702 -16.0216 -16.0216 -14.6139 -14.6139 -14.5429 -14.5429 -4.8151 -4.8151 -4.4764 -4.4764 -4.3995 -4.3995 -4.1370 -4.1370 -2.2898 -2.2898 -2.2119 -2.2119 -2.1885 -2.1885 1.4071 1.4071 4.5126 4.5126 4.9872 4.9872 5.1536 5.1536 5.9839 5.9839 6.1934 6.1934 6.4464 6.4464 9.7870 9.7870 10.3102 10.3102 10.4005 10.4005 10.6728 10.6728 k = 0.1630-0.2842-0.1719 ( 3625 PWs) bands (ev): -35.0699 -35.0699 -16.0230 -16.0230 -14.6147 -14.6147 -14.5458 -14.5458 -4.7961 -4.7961 -4.4805 -4.4805 -4.4005 -4.4005 -4.1317 -4.1317 -2.2882 -2.2882 -2.2105 -2.2105 -2.1871 -2.1871 1.4370 1.4370 4.4747 4.4747 4.9262 4.9262 5.1557 5.1557 6.0007 6.0007 6.1729 6.1729 6.4342 6.4342 9.7567 9.7567 10.2982 10.2982 10.4363 10.4363 10.7209 10.7209 k = 0.1739-0.3031-0.1833 ( 3631 PWs) bands (ev): -35.0696 -35.0696 -16.0244 -16.0244 -14.6156 -14.6156 -14.5487 -14.5487 -4.7766 -4.7766 -4.4845 -4.4845 -4.4012 -4.4012 -4.1264 -4.1264 -2.2866 -2.2866 -2.2090 -2.2090 -2.1855 -2.1855 1.4682 1.4682 4.4403 4.4403 4.8632 4.8632 5.1576 5.1576 6.0133 6.0133 6.1532 6.1532 6.4182 6.4182 9.7254 9.7254 10.2857 10.2857 10.4796 10.4796 10.7694 10.7694 k = 0.1848-0.3221-0.1948 ( 3630 PWs) bands (ev): -35.0693 -35.0693 -16.0259 -16.0259 -14.6167 -14.6167 -14.5516 -14.5516 -4.7567 -4.7567 -4.4882 -4.4882 -4.4016 -4.4016 -4.1210 -4.1210 -2.2850 -2.2850 -2.2076 -2.2076 -2.1837 -2.1837 1.5006 1.5006 4.4094 4.4094 4.7988 4.7988 5.1592 5.1592 6.0202 6.0202 6.1346 6.1346 6.3995 6.3995 9.6933 9.6933 10.2767 10.2767 10.5258 10.5258 10.8175 10.8175 k = 0.1957-0.3410-0.2062 ( 3635 PWs) bands (ev): -35.0690 -35.0690 -16.0274 -16.0274 -14.6180 -14.6180 -14.5545 -14.5545 -4.7367 -4.7367 -4.4915 -4.4915 -4.4019 -4.4019 -4.1156 -4.1156 -2.2836 -2.2836 -2.2062 -2.2062 -2.1818 -2.1818 1.5339 1.5339 4.3822 4.3822 4.7335 4.7335 5.1604 5.1604 6.0199 6.0199 6.1167 6.1167 6.3803 6.3803 9.6608 9.6608 10.2715 10.2715 10.5734 10.5734 10.8643 10.8643 k = 0.2065-0.3600-0.2177 ( 3638 PWs) bands (ev): -35.0687 -35.0687 -16.0290 -16.0290 -14.6194 -14.6194 -14.5573 -14.5573 -4.7168 -4.7168 -4.4943 -4.4943 -4.4019 -4.4019 -4.1101 -4.1101 -2.2822 -2.2822 -2.2047 -2.2047 -2.1798 -2.1798 1.5681 1.5681 4.3585 4.3585 4.6678 4.6678 5.1609 5.1609 6.0117 6.0117 6.0978 6.0978 6.3637 6.3637 9.6282 9.6282 10.2696 10.2696 10.6219 10.6219 10.9083 10.9083 k = 0.2174-0.3789-0.2291 ( 3638 PWs) bands (ev): -35.0683 -35.0683 -16.0306 -16.0306 -14.6210 -14.6210 -14.5599 -14.5599 -4.6973 -4.6973 -4.4962 -4.4962 -4.4018 -4.4018 -4.1045 -4.1045 -2.2809 -2.2809 -2.2033 -2.2033 -2.1775 -2.1775 1.6030 1.6030 4.3381 4.3381 4.6026 4.6026 5.1609 5.1609 5.9952 5.9952 6.0757 6.0757 6.3527 6.3527 9.5958 9.5958 10.2696 10.2696 10.6708 10.6708 10.9476 10.9476 k = 0.2283-0.3979-0.2406 ( 3635 PWs) bands (ev): -35.0680 -35.0680 -16.0322 -16.0322 -14.6227 -14.6227 -14.5624 -14.5624 -4.6787 -4.6787 -4.4972 -4.4972 -4.4015 -4.4015 -4.0987 -4.0987 -2.2797 -2.2797 -2.2018 -2.2018 -2.1751 -2.1751 1.6385 1.6385 4.3201 4.3201 4.5389 4.5389 5.1601 5.1601 5.9696 5.9696 6.0501 6.0501 6.3493 6.3493 9.5638 9.5638 10.2701 10.2701 10.7197 10.7197 10.9795 10.9795 k = 0.2391-0.4168-0.2520 ( 3636 PWs) bands (ev): -35.0676 -35.0676 -16.0339 -16.0339 -14.6247 -14.6247 -14.5648 -14.5648 -4.6613 -4.6613 -4.4968 -4.4968 -4.4010 -4.4010 -4.0928 -4.0928 -2.2786 -2.2786 -2.2004 -2.2004 -2.1726 -2.1726 1.6745 1.6745 4.3029 4.3029 4.4788 4.4788 5.1585 5.1585 5.9327 5.9327 6.0244 6.0244 6.3531 6.3531 9.5324 9.5324 10.2694 10.2694 10.7683 10.7683 11.0018 11.0018 k = 0.2500-0.4358-0.2635 ( 3641 PWs) bands (ev): -35.0673 -35.0673 -16.0356 -16.0356 -14.6268 -14.6268 -14.5669 -14.5669 -4.6455 -4.6455 -4.4949 -4.4949 -4.4003 -4.4003 -4.0867 -4.0867 -2.2776 -2.2776 -2.1989 -2.1989 -2.1700 -2.1700 1.7107 1.7107 4.2825 4.2825 4.4263 4.4263 5.1562 5.1562 5.8832 5.8832 6.0017 6.0017 6.3629 6.3629 9.5016 9.5016 10.2659 10.2659 10.8164 10.8164 11.0145 11.0145 k = 0.2609-0.4547-0.2750 ( 3641 PWs) bands (ev): -35.0670 -35.0670 -16.0373 -16.0373 -14.6291 -14.6291 -14.5689 -14.5689 -4.6319 -4.6319 -4.4911 -4.4911 -4.3995 -4.3995 -4.0804 -4.0804 -2.2767 -2.2767 -2.1975 -2.1975 -2.1672 -2.1672 1.7471 1.7471 4.2521 4.2521 4.3886 4.3886 5.1530 5.1530 5.8235 5.8235 5.9825 5.9825 6.3769 6.3769 9.4716 9.4716 10.2579 10.2579 10.8635 10.8635 11.0213 11.0213 k = 0.2717-0.4737-0.2864 ( 3645 PWs) bands (ev): -35.0666 -35.0666 -16.0390 -16.0390 -14.6316 -14.6316 -14.5706 -14.5706 -4.6206 -4.6206 -4.4853 -4.4853 -4.3983 -4.3983 -4.0737 -4.0737 -2.2760 -2.2760 -2.1961 -2.1961 -2.1643 -2.1643 1.7837 1.7837 4.2079 4.2079 4.3695 4.3695 5.1490 5.1490 5.7565 5.7565 5.9660 5.9660 6.3939 6.3939 9.4425 9.4425 10.2443 10.2443 10.9092 10.9092 11.0269 11.0269 k = 0.2826-0.4926-0.2979 ( 3642 PWs) bands (ev): -35.0663 -35.0663 -16.0407 -16.0407 -14.6342 -14.6342 -14.5722 -14.5722 -4.6119 -4.6119 -4.4778 -4.4778 -4.3969 -4.3969 -4.0668 -4.0668 -2.2753 -2.2753 -2.1947 -2.1947 -2.1612 -2.1612 1.8202 1.8202 4.1542 4.1542 4.3646 4.3646 5.1442 5.1442 5.6845 5.6845 5.9516 5.9516 6.4128 6.4128 9.4143 9.4143 10.2242 10.2242 10.9527 10.9527 11.0356 11.0356 k = 0.2935-0.5116-0.3093 ( 3644 PWs) bands (ev): -35.0659 -35.0659 -16.0423 -16.0423 -14.6369 -14.6369 -14.5735 -14.5735 -4.6054 -4.6054 -4.4689 -4.4689 -4.3951 -4.3951 -4.0595 -4.0595 -2.2748 -2.2748 -2.1933 -2.1933 -2.1581 -2.1581 1.8567 1.8567 4.0964 4.0964 4.3685 4.3685 5.1387 5.1387 5.6094 5.6094 5.9389 5.9389 6.4330 6.4330 9.3870 9.3870 10.1975 10.1975 10.9925 10.9925 11.0504 11.0504 k = 0.3043-0.5305-0.3208 ( 3647 PWs) bands (ev): -35.0656 -35.0656 -16.0440 -16.0440 -14.6397 -14.6397 -14.5747 -14.5747 -4.6008 -4.6008 -4.4594 -4.4594 -4.3928 -4.3928 -4.0518 -4.0518 -2.2743 -2.2743 -2.1919 -2.1919 -2.1549 -2.1549 1.8929 1.8929 4.0376 4.0376 4.3779 4.3779 5.1325 5.1325 5.5326 5.5326 5.9277 5.9277 6.4540 6.4540 9.3606 9.3606 10.1646 10.1646 11.0260 11.0260 11.0742 11.0742 k = 0.3152-0.5494-0.3322 ( 3641 PWs) bands (ev): -35.0653 -35.0653 -16.0456 -16.0456 -14.6425 -14.6425 -14.5758 -14.5758 -4.5977 -4.5977 -4.4499 -4.4499 -4.3897 -4.3897 -4.0437 -4.0437 -2.2739 -2.2739 -2.1905 -2.1905 -2.1516 -2.1516 1.9289 1.9289 3.9790 3.9790 4.3913 4.3913 5.1256 5.1256 5.4556 5.4556 5.9179 5.9179 6.4754 6.4754 9.3352 9.3352 10.1262 10.1262 11.0533 11.0533 11.1063 11.1063 k = 0.3261-0.5684-0.3437 ( 3647 PWs) bands (ev): -35.0650 -35.0650 -16.0472 -16.0472 -14.6453 -14.6453 -14.5766 -14.5766 -4.5956 -4.5956 -4.4412 -4.4412 -4.3858 -4.3858 -4.0352 -4.0352 -2.2736 -2.2736 -2.1893 -2.1893 -2.1482 -2.1482 1.9646 1.9646 3.9216 3.9216 4.4072 4.4072 5.1181 5.1181 5.3796 5.3796 5.9095 5.9095 6.4969 6.4969 9.3107 9.3107 10.0830 10.0830 11.0771 11.0771 11.1425 11.1425 k = 0.3370-0.5873-0.3552 ( 3641 PWs) bands (ev): -35.0647 -35.0647 -16.0487 -16.0487 -14.6482 -14.6482 -14.5774 -14.5774 -4.5942 -4.5942 -4.4338 -4.4338 -4.3810 -4.3810 -4.0264 -4.0264 -2.2733 -2.2733 -2.1880 -2.1880 -2.1449 -2.1449 1.9999 1.9999 3.8658 3.8658 4.4247 4.4247 5.1100 5.1100 5.3058 5.3058 5.9022 5.9022 6.5184 6.5184 9.2873 9.2873 10.0361 10.0361 11.0983 11.0983 11.1802 11.1802 k = 0.3478-0.6063-0.3666 ( 3641 PWs) bands (ev): -35.0644 -35.0644 -16.0502 -16.0502 -14.6509 -14.6509 -14.5780 -14.5780 -4.5933 -4.5933 -4.4278 -4.4278 -4.3753 -4.3753 -4.0173 -4.0173 -2.2731 -2.2731 -2.1868 -2.1868 -2.1415 -2.1415 2.0347 2.0347 3.8119 3.8119 4.4426 4.4426 5.1012 5.1012 5.2359 5.2359 5.8960 5.8960 6.5395 6.5395 9.2650 9.2650 9.9865 9.9865 11.1155 11.1155 11.2189 11.2189 k = 0.3587-0.6252-0.3781 ( 3643 PWs) bands (ev): -35.0641 -35.0641 -16.0516 -16.0516 -14.6536 -14.6536 -14.5786 -14.5786 -4.5927 -4.5927 -4.4232 -4.4232 -4.3691 -4.3691 -4.0080 -4.0080 -2.2729 -2.2729 -2.1856 -2.1856 -2.1382 -2.1382 2.0689 2.0689 3.7602 3.7602 4.4595 4.4595 5.0908 5.0908 5.1722 5.1722 5.8907 5.8907 6.5601 6.5601 9.2437 9.2437 9.9349 9.9349 11.1264 11.1264 11.2589 11.2589 k = 0.3696-0.6442-0.3895 ( 3645 PWs) bands (ev): -35.0639 -35.0639 -16.0530 -16.0530 -14.6562 -14.6562 -14.5790 -14.5790 -4.5923 -4.5923 -4.4197 -4.4197 -4.3627 -4.3627 -3.9986 -3.9986 -2.2728 -2.2728 -2.1845 -2.1845 -2.1349 -2.1349 2.1024 2.1024 3.7109 3.7109 4.4739 4.4739 5.0747 5.0747 5.1206 5.1206 5.8864 5.8864 6.5801 6.5801 9.2237 9.2237 9.8825 9.8825 11.1295 11.1295 11.3005 11.3005 k = 0.3804-0.6631-0.4010 ( 3650 PWs) bands (ev): -35.0636 -35.0636 -16.0543 -16.0543 -14.6587 -14.6587 -14.5794 -14.5794 -4.5919 -4.5919 -4.4171 -4.4171 -4.3565 -4.3565 -3.9892 -3.9892 -2.2727 -2.2727 -2.1834 -2.1834 -2.1317 -2.1317 2.1350 2.1350 3.6644 3.6644 4.4842 4.4842 5.0428 5.0428 5.0929 5.0929 5.8827 5.8827 6.5992 6.5992 9.2048 9.2048 9.8299 9.8299 11.1245 11.1245 11.3435 11.3435 k = 0.3913-0.6821-0.4124 ( 3652 PWs) bands (ev): -35.0634 -35.0634 -16.0554 -16.0554 -14.6610 -14.6610 -14.5797 -14.5797 -4.5917 -4.5917 -4.4151 -4.4151 -4.3506 -4.3506 -3.9800 -3.9800 -2.2727 -2.2727 -2.1825 -2.1825 -2.1286 -2.1286 2.1665 2.1665 3.6207 3.6207 4.4886 4.4886 5.0060 5.0060 5.0803 5.0803 5.8798 5.8798 6.6174 6.6174 9.1872 9.1872 9.7780 9.7780 11.1128 11.1128 11.3868 11.3868 k = 0.4022-0.7010-0.4239 ( 3654 PWs) bands (ev): -35.0632 -35.0632 -16.0565 -16.0565 -14.6631 -14.6631 -14.5800 -14.5800 -4.5915 -4.5915 -4.4136 -4.4136 -4.3454 -4.3454 -3.9711 -3.9711 -2.2726 -2.2726 -2.1815 -2.1815 -2.1257 -2.1257 2.1968 2.1968 3.5800 3.5800 4.4858 4.4858 4.9768 4.9768 5.0713 5.0713 5.8774 5.8774 6.6345 6.6345 9.1710 9.1710 9.7276 9.7276 11.0962 11.0962 11.4177 11.4177 k = 0.4130-0.7200-0.4354 ( 3651 PWs) bands (ev): -35.0630 -35.0630 -16.0575 -16.0575 -14.6651 -14.6651 -14.5802 -14.5802 -4.5912 -4.5912 -4.4124 -4.4124 -4.3407 -4.3407 -3.9627 -3.9627 -2.2726 -2.2726 -2.1807 -2.1807 -2.1229 -2.1229 2.2254 2.2254 3.5427 3.5427 4.4758 4.4758 4.9577 4.9577 5.0638 5.0638 5.8755 5.8755 6.6503 6.6503 9.1562 9.1562 9.6797 9.6797 11.0768 11.0768 11.4241 11.4241 k = 0.4239-0.7389-0.4468 ( 3653 PWs) bands (ev): -35.0628 -35.0628 -16.0584 -16.0584 -14.6669 -14.6669 -14.5804 -14.5804 -4.5910 -4.5910 -4.4114 -4.4114 -4.3367 -4.3367 -3.9548 -3.9548 -2.2725 -2.2725 -2.1799 -2.1799 -2.1204 -2.1204 2.2521 2.2521 3.5089 3.5089 4.4596 4.4596 4.9481 4.9481 5.0572 5.0572 5.8741 5.8741 6.6647 6.6647 9.1428 9.1428 9.6350 9.6350 11.0565 11.0565 11.4267 11.4267 k = 0.4348-0.7579-0.4583 ( 3651 PWs) bands (ev): -35.0627 -35.0627 -16.0592 -16.0592 -14.6684 -14.6684 -14.5805 -14.5805 -4.5908 -4.5908 -4.4106 -4.4106 -4.3334 -4.3334 -3.9478 -3.9478 -2.2725 -2.2725 -2.1793 -2.1793 -2.1181 -2.1181 2.2765 2.2765 3.4788 3.4788 4.4396 4.4396 4.9459 4.9459 5.0515 5.0515 5.8729 5.8729 6.6776 6.6776 9.1311 9.1311 9.5943 9.5943 11.0366 11.0366 11.4281 11.4281 k = 0.4457-0.7768-0.4697 ( 3655 PWs) bands (ev): -35.0626 -35.0626 -16.0599 -16.0599 -14.6698 -14.6698 -14.5806 -14.5806 -4.5906 -4.5906 -4.4100 -4.4100 -4.3307 -4.3307 -3.9416 -3.9416 -2.2725 -2.2725 -2.1787 -2.1787 -2.1161 -2.1161 2.2983 2.2983 3.4526 3.4526 4.4183 4.4183 4.9485 4.9485 5.0465 5.0465 5.8721 5.8721 6.6888 6.6888 9.1209 9.1209 9.5583 9.5583 11.0183 11.0183 11.4287 11.4287 k = 0.4565-0.7957-0.4812 ( 3650 PWs) bands (ev): -35.0624 -35.0624 -16.0604 -16.0604 -14.6709 -14.6709 -14.5807 -14.5807 -4.5905 -4.5905 -4.4095 -4.4095 -4.3285 -4.3285 -3.9363 -3.9363 -2.2725 -2.2725 -2.1782 -2.1782 -2.1145 -2.1145 2.3169 2.3169 3.4308 3.4308 4.3980 4.3980 4.9536 4.9536 5.0423 5.0423 5.8714 5.8714 6.6981 6.6981 9.1125 9.1125 9.5279 9.5279 11.0024 11.0024 11.4287 11.4287 k = 0.4674-0.8147-0.4926 ( 3652 PWs) bands (ev): -35.0624 -35.0624 -16.0609 -16.0609 -14.6717 -14.6717 -14.5808 -14.5808 -4.5903 -4.5903 -4.4091 -4.4091 -4.3269 -4.3269 -3.9322 -3.9322 -2.2725 -2.2725 -2.1778 -2.1778 -2.1131 -2.1131 2.3319 2.3319 3.4134 3.4134 4.3804 4.3804 4.9593 4.9593 5.0390 5.0390 5.8710 5.8710 6.7055 6.7055 9.1059 9.1059 9.5035 9.5035 10.9894 10.9894 11.4284 11.4284 k = 0.4783-0.8336-0.5041 ( 3649 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6724 -14.6724 -14.5808 -14.5808 -4.5902 -4.5902 -4.4089 -4.4089 -4.3257 -4.3257 -3.9291 -3.9291 -2.2725 -2.2725 -2.1776 -2.1776 -2.1122 -2.1122 2.3429 2.3429 3.4008 3.4008 4.3670 4.3670 4.9643 4.9643 5.0366 5.0366 5.8707 5.8707 6.7109 6.7109 9.1011 9.1011 9.4857 9.4857 10.9800 10.9800 11.4280 11.4280 k = 0.4891-0.8526-0.5156 ( 3648 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6727 -14.6727 -14.5809 -14.5809 -4.5902 -4.5902 -4.4087 -4.4087 -4.3250 -4.3250 -3.9273 -3.9273 -2.2724 -2.2724 -2.1774 -2.1774 -2.1116 -2.1116 2.3497 2.3497 3.3932 3.3932 4.3586 4.3586 4.9677 4.9677 5.0351 5.0351 5.8705 5.8705 6.7141 6.7141 9.0982 9.0982 9.4749 9.4749 10.9741 10.9741 11.4277 11.4277 k = 0.5000-0.8715-0.5270 ( 3642 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6729 -14.6729 -14.5809 -14.5809 -4.5901 -4.5901 -4.4087 -4.4087 -4.3248 -4.3248 -3.9267 -3.9267 -2.2724 -2.2724 -2.1773 -2.1773 -2.1114 -2.1114 2.3520 2.3520 3.3906 3.3906 4.3558 4.3558 4.9689 4.9689 5.0346 5.0346 5.8705 5.8705 6.7152 6.7152 9.0972 9.0972 9.4712 9.4712 10.9722 10.9722 11.4276 11.4276 k = 0.5000-0.8715-0.5270 ( 3642 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6729 -14.6729 -14.5809 -14.5809 -4.5901 -4.5901 -4.4087 -4.4087 -4.3248 -4.3248 -3.9267 -3.9267 -2.2724 -2.2724 -2.1773 -2.1773 -2.1114 -2.1114 2.3520 2.3520 3.3906 3.3906 4.3558 4.3558 4.9689 4.9689 5.0346 5.0346 5.8705 5.8705 6.7152 6.7152 9.0972 9.0972 9.4712 9.4712 10.9722 10.9722 11.4276 11.4276 k = 0.5000-0.8589-0.5480 ( 3650 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5810 -14.5810 -4.5900 -4.5900 -4.4097 -4.4097 -4.3234 -4.3234 -3.9269 -3.9269 -2.2723 -2.2723 -2.1774 -2.1774 -2.1115 -2.1115 2.3521 2.3521 3.3920 3.3920 4.3566 4.3566 4.9684 4.9684 5.0357 5.0357 5.8658 5.8658 6.7120 6.7120 9.1011 9.1011 9.4721 9.4721 10.9741 10.9741 11.4281 11.4281 k = 0.5000-0.8462-0.5689 ( 3654 PWs) bands (ev): -35.0622 -35.0622 -16.0615 -16.0615 -14.6727 -14.6727 -14.5813 -14.5813 -4.5898 -4.5898 -4.4127 -4.4127 -4.3192 -4.3192 -3.9274 -3.9274 -2.2719 -2.2719 -2.1775 -2.1775 -2.1118 -2.1118 2.3523 2.3523 3.3963 3.3963 4.3590 4.3590 4.9671 4.9671 5.0390 5.0390 5.8518 5.8518 6.7024 6.7024 9.1127 9.1127 9.4747 9.4747 10.9799 10.9799 11.4298 11.4298 k = 0.5000-0.8335-0.5899 ( 3656 PWs) bands (ev): -35.0622 -35.0622 -16.0615 -16.0615 -14.6724 -14.6724 -14.5819 -14.5819 -4.5893 -4.5893 -4.4172 -4.4172 -4.3129 -4.3129 -3.9282 -3.9282 -2.2712 -2.2712 -2.1777 -2.1777 -2.1124 -2.1124 2.3527 2.3527 3.4033 3.4033 4.3630 4.3630 4.9651 4.9651 5.0441 5.0441 5.8288 5.8288 6.6865 6.6865 9.1316 9.1316 9.4790 9.4790 10.9891 10.9891 11.4330 11.4330 k = 0.5000-0.8209-0.6108 ( 3658 PWs) bands (ev): -35.0622 -35.0622 -16.0616 -16.0616 -14.6720 -14.6720 -14.5827 -14.5827 -4.5886 -4.5886 -4.4225 -4.4225 -4.3048 -4.3048 -3.9293 -3.9293 -2.2702 -2.2702 -2.1780 -2.1780 -2.1132 -2.1132 2.3533 2.3533 3.4132 3.4132 4.3685 4.3685 4.9628 4.9628 5.0508 5.0508 5.7975 5.7975 6.6646 6.6646 9.1574 9.1574 9.4849 9.4849 11.0012 11.0012 11.4379 11.4379 k = 0.5000-0.8082-0.6318 ( 3662 PWs) bands (ev): -35.0622 -35.0622 -16.0617 -16.0617 -14.6716 -14.6716 -14.5837 -14.5837 -4.5878 -4.5878 -4.4285 -4.4285 -4.2955 -4.2955 -3.9308 -3.9308 -2.2689 -2.2689 -2.1783 -2.1783 -2.1142 -2.1142 2.3540 2.3540 3.4257 3.4257 4.3754 4.3754 4.9602 4.9602 5.0589 5.0589 5.7586 5.7586 6.6371 6.6371 9.1894 9.1894 9.4924 9.4924 11.0156 11.0156 11.4450 11.4450 k = 0.5000-0.7955-0.6527 ( 3658 PWs) bands (ev): -35.0621 -35.0621 -16.0619 -16.0619 -14.6710 -14.6710 -14.5848 -14.5848 -4.5868 -4.5868 -4.4347 -4.4347 -4.2852 -4.2852 -3.9326 -3.9326 -2.2673 -2.2673 -2.1787 -2.1787 -2.1153 -2.1153 2.3550 2.3550 3.4410 3.4410 4.3836 4.3836 4.9575 4.9575 5.0682 5.0682 5.7130 5.7130 6.6043 6.6043 9.2268 9.2268 9.5015 9.5015 11.0313 11.0313 11.4539 11.4539 k = 0.5000-0.7828-0.6737 ( 3658 PWs) bands (ev): -35.0621 -35.0621 -16.0620 -16.0620 -14.6703 -14.6703 -14.5862 -14.5862 -4.5856 -4.5856 -4.4410 -4.4410 -4.2742 -4.2742 -3.9347 -3.9347 -2.2655 -2.2655 -2.1791 -2.1791 -2.1167 -2.1167 2.3561 2.3561 3.4590 3.4590 4.3930 4.3930 4.9549 4.9549 5.0785 5.0785 5.6616 5.6616 6.5668 6.5668 9.2686 9.2686 9.5122 9.5122 11.0471 11.0471 11.4634 11.4634 k = 0.5000-0.7702-0.6946 ( 3654 PWs) bands (ev): -35.0620 -35.0620 -16.0622 -16.0622 -14.6696 -14.6696 -14.5878 -14.5878 -4.5842 -4.5842 -4.4473 -4.4473 -4.2626 -4.2626 -3.9372 -3.9372 -2.2634 -2.2634 -2.1796 -2.1796 -2.1183 -2.1183 2.3575 2.3575 3.4795 3.4795 4.4033 4.4033 4.9522 4.9522 5.0897 5.0897 5.6055 5.6055 6.5251 6.5251 9.3138 9.3138 9.5247 9.5247 11.0615 11.0615 11.4697 11.4697 k = 0.5000-0.7575-0.7156 ( 3650 PWs) bands (ev): -35.0620 -35.0620 -16.0624 -16.0624 -14.6688 -14.6688 -14.5895 -14.5895 -4.5827 -4.5827 -4.4535 -4.4535 -4.2504 -4.2504 -3.9399 -3.9399 -2.2611 -2.2611 -2.1801 -2.1801 -2.1200 -2.1200 2.3592 2.3592 3.5026 3.5026 4.4144 4.4144 4.9495 4.9495 5.1017 5.1017 5.5458 5.5458 6.4799 6.4799 9.3607 9.3607 9.5398 9.5398 11.0727 11.0727 11.4634 11.4634 k = 0.5000-0.7448-0.7365 ( 3654 PWs) bands (ev): -35.0619 -35.0619 -16.0626 -16.0626 -14.6679 -14.6679 -14.5914 -14.5914 -4.5810 -4.5810 -4.4596 -4.4596 -4.2380 -4.2380 -3.9429 -3.9429 -2.2586 -2.2586 -2.1807 -2.1807 -2.1219 -2.1219 2.3610 2.3610 3.5281 3.5281 4.4257 4.4257 4.9466 4.9466 5.1145 5.1145 5.4836 5.4836 6.4317 6.4317 9.4071 9.4071 9.5590 9.5590 11.0785 11.0785 11.4386 11.4386 k = 0.5000-0.7322-0.7575 ( 3644 PWs) bands (ev): -35.0618 -35.0618 -16.0628 -16.0628 -14.6669 -14.6669 -14.5933 -14.5933 -4.5791 -4.5791 -4.4655 -4.4655 -4.2252 -4.2252 -3.9463 -3.9463 -2.2559 -2.2559 -2.1813 -2.1813 -2.1240 -2.1240 2.3632 2.3632 3.5560 3.5560 4.4370 4.4370 4.9434 4.9434 5.1280 5.1280 5.4200 5.4200 6.3813 6.3813 9.4491 9.4491 9.5854 9.5854 11.0757 11.0757 11.4048 11.4048 k = 0.5000-0.7195-0.7784 ( 3648 PWs) bands (ev): -35.0618 -35.0618 -16.0630 -16.0630 -14.6659 -14.6659 -14.5954 -14.5954 -4.5771 -4.5771 -4.4712 -4.4712 -4.2122 -4.2122 -3.9499 -3.9499 -2.2530 -2.2530 -2.1819 -2.1819 -2.1261 -2.1261 2.3656 2.3656 3.5861 3.5861 4.4476 4.4476 4.9398 4.9398 5.1421 5.1421 5.3564 5.3564 6.3294 6.3294 9.4825 9.4825 9.6225 9.6225 11.0612 11.0612 11.3711 11.3711 k = 0.5000-0.7068-0.7994 ( 3648 PWs) bands (ev): -35.0617 -35.0617 -16.0633 -16.0633 -14.6648 -14.6648 -14.5976 -14.5976 -4.5750 -4.5750 -4.4767 -4.4767 -4.1992 -4.1992 -3.9538 -3.9538 -2.2499 -2.2499 -2.1824 -2.1824 -2.1284 -2.1284 2.3683 2.3683 3.6183 3.6183 4.4568 4.4568 4.9355 4.9355 5.1568 5.1568 5.2942 5.2942 6.2768 6.2768 9.5060 9.5060 9.6711 9.6711 11.0325 11.0325 11.3414 11.3414 k = 0.5000-0.6942-0.8203 ( 3646 PWs) bands (ev): -35.0616 -35.0616 -16.0635 -16.0635 -14.6636 -14.6636 -14.5998 -14.5998 -4.5727 -4.5727 -4.4821 -4.4821 -4.1860 -4.1860 -3.9580 -3.9580 -2.2468 -2.2468 -2.1830 -2.1830 -2.1308 -2.1308 2.3712 2.3712 3.6526 3.6526 4.4636 4.4636 4.9304 4.9304 5.1718 5.1718 5.2349 5.2349 6.2242 6.2242 9.5218 9.5218 9.7286 9.7286 10.9894 10.9894 11.3162 11.3162 k = 0.5000-0.6815-0.8413 ( 3650 PWs) bands (ev): -35.0615 -35.0615 -16.0638 -16.0638 -14.6625 -14.6625 -14.6020 -14.6020 -4.5703 -4.5703 -4.4873 -4.4873 -4.1730 -4.1730 -3.9624 -3.9624 -2.2436 -2.2436 -2.1834 -2.1834 -2.1333 -2.1333 2.3743 2.3743 3.6888 3.6888 4.4668 4.4668 4.9240 4.9240 5.1772 5.1772 5.1902 5.1902 6.1725 6.1725 9.5322 9.5322 9.7919 9.7919 10.9342 10.9342 11.2932 11.2932 k = 0.5000-0.6688-0.8622 ( 3646 PWs) bands (ev): -35.0615 -35.0615 -16.0641 -16.0641 -14.6613 -14.6613 -14.6043 -14.6043 -4.5678 -4.5678 -4.4923 -4.4923 -4.1600 -4.1600 -3.9671 -3.9671 -2.2403 -2.2403 -2.1838 -2.1838 -2.1358 -2.1358 2.3776 2.3776 3.7268 3.7268 4.4650 4.4650 4.9162 4.9162 5.1307 5.1307 5.2043 5.2043 6.1224 6.1224 9.5388 9.5388 9.8593 9.8593 10.8702 10.8702 11.2703 11.2703 k = 0.5000-0.6562-0.8832 ( 3652 PWs) bands (ev): -35.0614 -35.0614 -16.0643 -16.0643 -14.6601 -14.6601 -14.6065 -14.6065 -4.5652 -4.5652 -4.4971 -4.4971 -4.1472 -4.1472 -3.9720 -3.9720 -2.2371 -2.2371 -2.1841 -2.1841 -2.1384 -2.1384 2.3810 2.3810 3.7665 3.7665 4.4567 4.4567 4.9066 4.9066 5.0905 5.0905 5.2207 5.2207 6.0746 6.0746 9.5422 9.5422 9.9296 9.9296 10.8003 10.8003 11.2466 11.2466 k = 0.5000-0.6435-0.9041 ( 3646 PWs) bands (ev): -35.0613 -35.0613 -16.0646 -16.0646 -14.6589 -14.6589 -14.6086 -14.6086 -4.5624 -4.5624 -4.5018 -4.5018 -4.1348 -4.1348 -3.9770 -3.9770 -2.2339 -2.2339 -2.1842 -2.1842 -2.1409 -2.1409 2.3845 2.3845 3.8076 3.8076 4.4409 4.4409 4.8949 4.8949 5.0598 5.0598 5.2375 5.2375 6.0301 6.0301 9.5427 9.5427 10.0024 10.0024 10.7268 10.7268 11.2221 11.2221 k = 0.5000-0.6308-0.9251 ( 3642 PWs) bands (ev): -35.0613 -35.0613 -16.0648 -16.0648 -14.6578 -14.6578 -14.6107 -14.6107 -4.5596 -4.5596 -4.5063 -4.5063 -4.1228 -4.1228 -3.9822 -3.9822 -2.2310 -2.2310 -2.1842 -2.1842 -2.1435 -2.1435 2.3879 2.3879 3.8500 3.8500 4.4171 4.4171 4.8813 4.8813 5.0391 5.0391 5.2546 5.2546 5.9893 5.9893 9.5404 9.5404 10.0768 10.0768 10.6518 10.6518 11.1975 11.1975 k = 0.5000-0.6181-0.9460 ( 3640 PWs) bands (ev): -35.0612 -35.0612 -16.0650 -16.0650 -14.6568 -14.6568 -14.6126 -14.6126 -4.5566 -4.5566 -4.5107 -4.5107 -4.1113 -4.1113 -3.9874 -3.9874 -2.2282 -2.2282 -2.1838 -2.1838 -2.1460 -2.1460 2.3913 2.3913 3.8936 3.8936 4.3858 4.3858 4.8655 4.8655 5.0280 5.0280 5.2721 5.2721 5.9528 5.9528 9.5354 9.5354 10.1521 10.1521 10.5771 10.5771 11.1733 11.1733 k = 0.5000-0.6055-0.9670 ( 3642 PWs) bands (ev): -35.0611 -35.0611 -16.0652 -16.0652 -14.6558 -14.6558 -14.6143 -14.6143 -4.5536 -4.5536 -4.5150 -4.5150 -4.1006 -4.1006 -3.9926 -3.9926 -2.2259 -2.2259 -2.1833 -2.1833 -2.1484 -2.1484 2.3943 2.3943 3.9382 3.9382 4.3483 4.3483 4.8478 4.8478 5.0253 5.0253 5.2900 5.2900 5.9211 5.9211 9.5279 9.5279 10.2261 10.2261 10.5057 10.5057 11.1499 11.1499 k = 0.5000-0.5928-0.9879 ( 3640 PWs) bands (ev): -35.0611 -35.0611 -16.0654 -16.0654 -14.6550 -14.6550 -14.6158 -14.6158 -4.5505 -4.5505 -4.5191 -4.5191 -4.0908 -4.0908 -3.9976 -3.9976 -2.2238 -2.2238 -2.1825 -2.1825 -2.1507 -2.1507 2.3970 2.3970 3.9834 3.9834 4.3065 4.3065 4.8282 4.8282 5.0295 5.0295 5.3082 5.3082 5.8943 5.8943 9.5180 9.5180 10.2897 10.2897 10.4475 10.4475 11.1275 11.1275 k = 0.5000-0.5801-1.0089 ( 3640 PWs) bands (ev): -35.0611 -35.0611 -16.0656 -16.0656 -14.6543 -14.6543 -14.6171 -14.6171 -4.5474 -4.5474 -4.5231 -4.5231 -4.0821 -4.0821 -4.0022 -4.0022 -2.2223 -2.2223 -2.1814 -2.1814 -2.1528 -2.1528 2.3991 2.3991 4.0289 4.0289 4.2623 4.2623 4.8069 4.8069 5.0390 5.0390 5.3270 5.3270 5.8723 5.8723 9.5059 9.5059 10.3005 10.3005 10.4454 10.4454 11.1060 11.1060 k = 0.5000-0.5675-1.0298 ( 3638 PWs) bands (ev): -35.0610 -35.0610 -16.0657 -16.0657 -14.6537 -14.6537 -14.6180 -14.6180 -4.5441 -4.5441 -4.5270 -4.5270 -4.0751 -4.0751 -4.0062 -4.0062 -2.2212 -2.2212 -2.1803 -2.1803 -2.1546 -2.1546 2.4005 2.4005 4.0736 4.0736 4.2180 4.2180 4.7841 4.7841 5.0523 5.0523 5.3463 5.3463 5.8551 5.8551 9.4919 9.4919 10.2515 10.2515 10.5067 10.5067 11.0854 11.0854 k = 0.5000-0.5548-1.0508 ( 3636 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6534 -14.6534 -14.6187 -14.6187 -4.5409 -4.5409 -4.5308 -4.5308 -4.0701 -4.0701 -4.0090 -4.0090 -2.2205 -2.2205 -2.1791 -2.1791 -2.1560 -2.1560 2.4010 2.4010 4.1118 4.1118 4.1805 4.1805 4.7605 4.7605 5.0682 5.0682 5.3663 5.3663 5.8422 5.8422 9.4763 9.4763 10.1905 10.1905 10.5839 10.5839 11.0654 11.0654 k = 0.5000-0.5421-1.0717 ( 3638 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6532 -14.6532 -14.6190 -14.6190 -4.5376 -4.5376 -4.5345 -4.5345 -4.0675 -4.0675 -4.0103 -4.0103 -2.2202 -2.2202 -2.1783 -2.1783 -2.1567 -2.1567 2.4003 2.4003 4.1081 4.1081 4.1861 4.1861 4.7368 4.7368 5.0857 5.0857 5.3870 5.3870 5.8331 5.8331 9.4596 9.4596 10.1299 10.1299 10.6642 10.6642 11.0458 11.0458 k = 0.5000-0.5295-1.0927 ( 3634 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6532 -14.6532 -14.6189 -14.6189 -4.5382 -4.5382 -4.5341 -4.5341 -4.0677 -4.0677 -4.0100 -4.0100 -2.2203 -2.2203 -2.1780 -2.1780 -2.1568 -2.1568 2.3983 2.3983 4.0711 4.0711 4.2267 4.2267 4.7137 4.7137 5.1040 5.1040 5.4086 5.4086 5.8272 5.8272 9.4422 9.4422 10.0725 10.0725 10.7437 10.7437 11.0272 11.0272 k = 0.5000-0.5168-1.1136 ( 3630 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6534 -14.6534 -14.6186 -14.6186 -4.5418 -4.5418 -4.5307 -4.5307 -4.0702 -4.0702 -4.0084 -4.0084 -2.2207 -2.2207 -2.1783 -2.1783 -2.1560 -2.1560 2.3947 2.3947 4.0317 4.0317 4.2717 4.2717 4.6919 4.6919 5.1224 5.1224 5.4312 5.4312 5.8239 5.8239 9.4246 9.4246 10.0196 10.0196 10.8177 10.8177 11.0122 11.0122 k = 0.5000-0.5041-1.1346 ( 3632 PWs) bands (ev): -35.0610 -35.0610 -16.0657 -16.0657 -14.6536 -14.6536 -14.6180 -14.6180 -4.5453 -4.5453 -4.5273 -4.5273 -4.0745 -4.0745 -4.0061 -4.0061 -2.2213 -2.2213 -2.1790 -2.1790 -2.1546 -2.1546 2.3894 2.3894 3.9941 3.9941 4.3172 4.3172 4.6723 4.6723 5.1402 5.1402 5.4548 5.4548 5.8226 5.8226 9.4073 9.4073 9.9718 9.9718 10.8739 10.8739 11.0107 11.0107 k = 0.8172-0.4196-0.9735 ( 3632 PWs) bands (ev): -35.0610 -35.0610 -16.0657 -16.0657 -14.6536 -14.6536 -14.6180 -14.6180 -4.5453 -4.5453 -4.5273 -4.5273 -4.0745 -4.0745 -4.0061 -4.0061 -2.2213 -2.2213 -2.1790 -2.1790 -2.1546 -2.1546 2.3894 2.3894 3.9941 3.9941 4.3172 4.3172 4.6723 4.6723 5.1402 5.1402 5.4548 5.4548 5.8226 5.8226 9.4073 9.4073 9.9718 9.9718 10.8739 10.8739 11.0107 11.0107 k = 0.8108-0.4085-0.9524 ( 3628 PWs) bands (ev): -35.0611 -35.0611 -16.0655 -16.0655 -14.6539 -14.6539 -14.6172 -14.6172 -4.5487 -4.5487 -4.5238 -4.5238 -4.0801 -4.0801 -4.0037 -4.0037 -2.2222 -2.2222 -2.1802 -2.1802 -2.1528 -2.1528 2.3821 2.3821 3.9593 3.9593 4.3625 4.3625 4.6555 4.6555 5.1571 5.1571 5.4796 5.4796 5.8226 5.8226 9.3908 9.3908 9.9293 9.9293 10.8917 10.8917 11.0394 11.0394 k = 0.8045-0.3975-0.9313 ( 3632 PWs) bands (ev): -35.0611 -35.0611 -16.0652 -16.0652 -14.6542 -14.6542 -14.6162 -14.6162 -4.5521 -4.5521 -4.5203 -4.5203 -4.0866 -4.0866 -4.0016 -4.0016 -2.2233 -2.2233 -2.1816 -2.1816 -2.1508 -2.1508 2.3727 2.3727 3.9281 3.9281 4.4067 4.4067 4.6425 4.6425 5.1726 5.1726 5.5055 5.5055 5.8233 5.8233 9.3759 9.3759 9.8928 9.8928 10.8785 10.8785 11.0802 11.0802 k = 0.7981-0.3864-0.9102 ( 3636 PWs) bands (ev): -35.0612 -35.0612 -16.0649 -16.0649 -14.6545 -14.6545 -14.6150 -14.6150 -4.5555 -4.5555 -4.5168 -4.5168 -4.0938 -4.0938 -4.0001 -4.0001 -2.2245 -2.2245 -2.1832 -2.1832 -2.1488 -2.1488 2.3611 2.3611 3.9008 3.9008 4.4492 4.4492 4.6339 4.6339 5.1863 5.1863 5.5327 5.5327 5.8243 5.8243 9.3631 9.3631 9.8622 9.8622 10.8537 10.8537 11.0956 11.0956 k = 0.7918-0.3754-0.8891 ( 3640 PWs) bands (ev): -35.0613 -35.0613 -16.0646 -16.0646 -14.6547 -14.6547 -14.6137 -14.6137 -4.5589 -4.5589 -4.5133 -4.5133 -4.1013 -4.1013 -3.9994 -3.9994 -2.2259 -2.2259 -2.1848 -2.1848 -2.1468 -2.1468 2.3472 2.3472 3.8776 3.8776 4.4893 4.4893 4.6307 4.6307 5.1980 5.1980 5.5610 5.5610 5.8250 5.8250 9.3531 9.3531 9.8378 9.8378 10.8243 10.8243 11.0813 11.0813 k = 0.7855-0.3643-0.8681 ( 3642 PWs) bands (ev): -35.0614 -35.0614 -16.0641 -16.0641 -14.6548 -14.6548 -14.6123 -14.6123 -4.5622 -4.5622 -4.5098 -4.5098 -4.1092 -4.1092 -3.9997 -3.9997 -2.2274 -2.2274 -2.1864 -2.1864 -2.1450 -2.1450 2.3310 2.3310 3.8589 3.8589 4.5262 4.5262 4.6337 4.6337 5.2076 5.2076 5.5905 5.5905 5.8250 5.8250 9.3464 9.3464 9.8194 9.8194 10.7927 10.7927 11.0537 11.0537 k = 0.7791-0.3533-0.8470 ( 3638 PWs) bands (ev): -35.0615 -35.0615 -16.0636 -16.0636 -14.6548 -14.6548 -14.6108 -14.6108 -4.5655 -4.5655 -4.5063 -4.5063 -4.1174 -4.1174 -4.0010 -4.0010 -2.2290 -2.2290 -2.1880 -2.1880 -2.1433 -2.1433 2.3126 2.3126 3.8447 3.8447 4.5586 4.5586 4.6439 4.6439 5.2151 5.2151 5.6211 5.6211 5.8241 5.8241 9.3435 9.3435 9.8067 9.8067 10.7603 10.7603 11.0218 11.0218 k = 0.7728-0.3422-0.8259 ( 3636 PWs) bands (ev): -35.0616 -35.0616 -16.0629 -16.0629 -14.6547 -14.6547 -14.6093 -14.6093 -4.5687 -4.5687 -4.5028 -4.5028 -4.1257 -4.1257 -4.0033 -4.0033 -2.2308 -2.2308 -2.1895 -2.1895 -2.1420 -2.1420 2.2920 2.2920 3.8351 3.8351 4.5862 4.5862 4.6616 4.6616 5.2203 5.2203 5.6527 5.6527 5.8220 5.8220 9.3450 9.3450 9.7996 9.7996 10.7278 10.7278 10.9891 10.9891 k = 0.7664-0.3312-0.8048 ( 3648 PWs) bands (ev): -35.0618 -35.0618 -16.0622 -16.0622 -14.6544 -14.6544 -14.6077 -14.6077 -4.5720 -4.5720 -4.4994 -4.4994 -4.1342 -4.1342 -4.0067 -4.0067 -2.2326 -2.2326 -2.1910 -2.1910 -2.1409 -2.1409 2.2694 2.2694 3.8304 3.8304 4.6105 4.6105 4.6849 4.6849 5.2235 5.2235 5.6848 5.6848 5.8189 5.8189 9.3511 9.3511 9.7977 9.7977 10.6957 10.6957 10.9576 10.9576 k = 0.7601-0.3201-0.7837 ( 3650 PWs) bands (ev): -35.0620 -35.0620 -16.0615 -16.0615 -14.6539 -14.6539 -14.6061 -14.6061 -4.5753 -4.5753 -4.4960 -4.4960 -4.1429 -4.1429 -4.0112 -4.0112 -2.2346 -2.2346 -2.1924 -2.1924 -2.1402 -2.1402 2.2450 2.2450 3.8304 3.8304 4.6340 4.6340 4.7105 4.7105 5.2250 5.2250 5.7167 5.7167 5.8156 5.8156 9.3623 9.3623 9.8005 9.8005 10.6646 10.6646 10.9283 10.9283 k = 0.7537-0.3090-0.7626 ( 3650 PWs) bands (ev): -35.0621 -35.0621 -16.0606 -16.0606 -14.6533 -14.6533 -14.6044 -14.6044 -4.5787 -4.5787 -4.4926 -4.4926 -4.1517 -4.1517 -4.0168 -4.0168 -2.2366 -2.2366 -2.1938 -2.1938 -2.1398 -2.1398 2.2191 2.2191 3.8353 3.8353 4.6585 4.6585 4.7364 4.7364 5.2250 5.2250 5.7450 5.7450 5.8151 5.8151 9.3785 9.3785 9.8075 9.8075 10.6344 10.6344 10.9025 10.9025 k = 0.7474-0.2980-0.7416 ( 3656 PWs) bands (ev): -35.0623 -35.0623 -16.0596 -16.0596 -14.6525 -14.6525 -14.6028 -14.6028 -4.5820 -4.5820 -4.4892 -4.4892 -4.1605 -4.1605 -4.0235 -4.0235 -2.2386 -2.2386 -2.1950 -2.1950 -2.1397 -2.1397 2.1918 2.1918 3.8450 3.8450 4.6839 4.6839 4.7617 4.7617 5.2241 5.2241 5.7610 5.7610 5.8262 5.8262 9.3998 9.3998 9.8182 9.8182 10.6055 10.6055 10.8808 10.8808 k = 0.7410-0.2869-0.7205 ( 3654 PWs) bands (ev): -35.0626 -35.0626 -16.0586 -16.0586 -14.6515 -14.6515 -14.6011 -14.6011 -4.5854 -4.5854 -4.4859 -4.4859 -4.1695 -4.1695 -4.0312 -4.0312 -2.2407 -2.2407 -2.1962 -2.1962 -2.1400 -2.1400 2.1634 2.1634 3.8596 3.8596 4.7087 4.7087 4.7873 4.7873 5.2228 5.2228 5.7597 5.7597 5.8537 5.8537 9.4260 9.4260 9.8322 9.8322 10.5776 10.5776 10.8641 10.8641 k = 0.7347-0.2759-0.6994 ( 3662 PWs) bands (ev): -35.0628 -35.0628 -16.0575 -16.0575 -14.6503 -14.6503 -14.5994 -14.5994 -4.5889 -4.5889 -4.4827 -4.4827 -4.1785 -4.1785 -4.0398 -4.0398 -2.2429 -2.2429 -2.1974 -2.1974 -2.1406 -2.1406 2.1343 2.1343 3.8788 3.8788 4.7296 4.7296 4.8158 4.8158 5.2215 5.2215 5.7493 5.7493 5.8897 5.8897 9.4570 9.4570 9.8488 9.8488 10.5508 10.5508 10.8529 10.8529 k = 0.7284-0.2648-0.6783 ( 3662 PWs) bands (ev): -35.0630 -35.0630 -16.0563 -16.0563 -14.6490 -14.6490 -14.5977 -14.5977 -4.5924 -4.5924 -4.4795 -4.4795 -4.1876 -4.1876 -4.0494 -4.0494 -2.2451 -2.2451 -2.1985 -2.1985 -2.1415 -2.1415 2.1046 2.1046 3.9027 3.9027 4.7434 4.7434 4.8498 4.8498 5.2209 5.2209 5.7345 5.7345 5.9293 5.9293 9.4922 9.4922 9.8678 9.8678 10.5251 10.5251 10.8478 10.8478 k = 0.7220-0.2538-0.6572 ( 3662 PWs) bands (ev): -35.0633 -35.0633 -16.0550 -16.0550 -14.6476 -14.6476 -14.5960 -14.5960 -4.5961 -4.5961 -4.4765 -4.4765 -4.1967 -4.1967 -4.0598 -4.0598 -2.2473 -2.2473 -2.1995 -2.1995 -2.1428 -2.1428 2.0747 2.0747 3.9310 3.9310 4.7488 4.7488 4.8900 4.8900 5.2212 5.2212 5.7170 5.7170 5.9711 5.9711 9.5310 9.5310 9.8886 9.8886 10.5006 10.5006 10.8487 10.8487 k = 0.7157-0.2427-0.6362 ( 3660 PWs) bands (ev): -35.0636 -35.0636 -16.0537 -16.0537 -14.6460 -14.6460 -14.5942 -14.5942 -4.5998 -4.5998 -4.4734 -4.4734 -4.2060 -4.2060 -4.0710 -4.0710 -2.2496 -2.2496 -2.2004 -2.2004 -2.1443 -2.1443 2.0448 2.0448 3.9636 3.9636 4.7467 4.7467 4.9357 4.9357 5.2225 5.2225 5.6973 5.6973 6.0146 6.0146 9.5727 9.5727 9.9109 9.9109 10.4777 10.4777 10.8555 10.8555 k = 0.7093-0.2316-0.6151 ( 3656 PWs) bands (ev): -35.0639 -35.0639 -16.0523 -16.0523 -14.6442 -14.6442 -14.5924 -14.5924 -4.6037 -4.6037 -4.4705 -4.4705 -4.2153 -4.2153 -4.0828 -4.0828 -2.2519 -2.2519 -2.2013 -2.2013 -2.1461 -2.1461 2.0152 2.0152 4.0002 4.0002 4.7381 4.7381 4.9857 4.9857 5.2249 5.2249 5.6759 5.6759 6.0596 6.0596 9.6162 9.6162 9.9343 9.9343 10.4570 10.4570 10.8679 10.8679 k = 0.7030-0.2206-0.5940 ( 3650 PWs) bands (ev): -35.0642 -35.0642 -16.0508 -16.0508 -14.6424 -14.6424 -14.5906 -14.5906 -4.6077 -4.6077 -4.4677 -4.4677 -4.2247 -4.2247 -4.0952 -4.0952 -2.2541 -2.2541 -2.2021 -2.2021 -2.1482 -2.1482 1.9860 1.9860 4.0404 4.0404 4.7245 4.7245 5.0393 5.0393 5.2280 5.2280 5.6530 5.6530 6.1060 6.1060 9.6606 9.6606 9.9582 9.9582 10.4394 10.4394 10.8854 10.8854 k = 0.6966-0.2095-0.5729 ( 3650 PWs) bands (ev): -35.0645 -35.0645 -16.0493 -16.0493 -14.6405 -14.6405 -14.5887 -14.5887 -4.6120 -4.6120 -4.4650 -4.4650 -4.2342 -4.2342 -4.1080 -4.1080 -2.2564 -2.2564 -2.2029 -2.2029 -2.1505 -2.1505 1.9574 1.9574 4.0835 4.0835 4.7070 4.7070 5.0958 5.0958 5.2316 5.2316 5.6290 5.6290 6.1536 6.1536 9.7047 9.7047 9.9817 9.9817 10.4262 10.4262 10.9074 10.9074 k = 0.6903-0.1985-0.5518 ( 3654 PWs) bands (ev): -35.0648 -35.0648 -16.0477 -16.0477 -14.6385 -14.6385 -14.5867 -14.5867 -4.6164 -4.6164 -4.4624 -4.4624 -4.2438 -4.2438 -4.1211 -4.1211 -2.2586 -2.2586 -2.2036 -2.2036 -2.1530 -2.1530 1.9297 1.9297 4.1287 4.1287 4.6872 4.6872 5.1546 5.1546 5.2354 5.2354 5.6040 5.6040 6.2024 6.2024 9.7475 9.7475 10.0033 10.0033 10.4186 10.4186 10.9337 10.9337 k = 0.6840-0.1874-0.5308 ( 3652 PWs) bands (ev): -35.0651 -35.0651 -16.0461 -16.0461 -14.6365 -14.6365 -14.5847 -14.5847 -4.6211 -4.6211 -4.4599 -4.4599 -4.2535 -4.2535 -4.1344 -4.1344 -2.2609 -2.2609 -2.2042 -2.2042 -2.1557 -2.1557 1.9030 1.9030 4.1747 4.1747 4.6672 4.6672 5.2146 5.2146 5.2398 5.2398 5.5784 5.5784 6.2524 6.2524 9.7883 9.7883 10.0212 10.0212 10.4180 10.4180 10.9643 10.9643 k = 0.6776-0.1764-0.5097 ( 3650 PWs) bands (ev): -35.0655 -35.0655 -16.0445 -16.0445 -14.6344 -14.6344 -14.5826 -14.5826 -4.6260 -4.6260 -4.4575 -4.4575 -4.2633 -4.2633 -4.1477 -4.1477 -2.2631 -2.2631 -2.2048 -2.2048 -2.1586 -2.1586 1.8773 1.8773 4.2191 4.2191 4.6496 4.6496 5.2405 5.2405 5.2794 5.2794 5.5523 5.5523 6.3035 6.3035 9.8266 9.8266 10.0340 10.0340 10.4250 10.4250 10.9997 10.9997 k = 0.6713-0.1653-0.4886 ( 3646 PWs) bands (ev): -35.0658 -35.0658 -16.0428 -16.0428 -14.6324 -14.6324 -14.5804 -14.5804 -4.6312 -4.6312 -4.4553 -4.4553 -4.2733 -4.2733 -4.1609 -4.1609 -2.2653 -2.2653 -2.2053 -2.2053 -2.1615 -2.1615 1.8529 1.8529 4.2582 4.2582 4.6386 4.6386 5.2435 5.2435 5.3422 5.3422 5.5264 5.5264 6.3557 6.3557 9.8620 9.8620 10.0405 10.0405 10.4389 10.4389 11.0406 11.0406 k = 0.6649-0.1542-0.4675 ( 3648 PWs) bands (ev): -35.0661 -35.0661 -16.0411 -16.0411 -14.6304 -14.6304 -14.5781 -14.5781 -4.6368 -4.6368 -4.4532 -4.4532 -4.2834 -4.2834 -4.1738 -4.1738 -2.2674 -2.2674 -2.2059 -2.2059 -2.1645 -2.1645 1.8297 1.8297 4.2869 4.2869 4.6396 4.6396 5.2455 5.2455 5.4048 5.4048 5.5018 5.5018 6.4089 6.4089 9.8946 9.8946 10.0413 10.0413 10.4575 10.4575 11.0881 11.0881 k = 0.6586-0.1432-0.4464 ( 3642 PWs) bands (ev): -35.0665 -35.0665 -16.0394 -16.0394 -14.6285 -14.6285 -14.5757 -14.5757 -4.6427 -4.6427 -4.4513 -4.4513 -4.2937 -4.2937 -4.1864 -4.1864 -2.2696 -2.2696 -2.2063 -2.2063 -2.1676 -2.1676 1.8079 1.8079 4.3002 4.3002 4.6578 4.6578 5.2469 5.2469 5.4515 5.4515 5.4938 5.4938 6.4631 6.4631 9.9241 9.9241 10.0378 10.0378 10.4781 10.4781 11.1423 11.1423 k = 0.6522-0.1321-0.4254 ( 3640 PWs) bands (ev): -35.0668 -35.0668 -16.0377 -16.0377 -14.6266 -14.6266 -14.5732 -14.5732 -4.6489 -4.6489 -4.4495 -4.4495 -4.3040 -4.3040 -4.1984 -4.1984 -2.2717 -2.2717 -2.2068 -2.2068 -2.1706 -2.1706 1.7876 1.7876 4.2969 4.2969 4.6942 4.6942 5.2479 5.2479 5.4392 5.4392 5.5452 5.5452 6.5183 6.5183 9.9500 9.9500 10.0318 10.0318 10.4979 10.4979 11.1991 11.1991 k = 0.6459-0.1211-0.4043 ( 3642 PWs) bands (ev): -35.0672 -35.0672 -16.0360 -16.0360 -14.6248 -14.6248 -14.5706 -14.5706 -4.6556 -4.6556 -4.4479 -4.4479 -4.3145 -4.3145 -4.2099 -4.2099 -2.2737 -2.2737 -2.2072 -2.2072 -2.1737 -2.1737 1.7686 1.7686 4.2804 4.2804 4.7453 4.7453 5.2490 5.2490 5.4150 5.4150 5.6087 5.6087 6.5743 6.5743 9.9703 9.9703 10.0266 10.0266 10.5153 10.5153 11.2220 11.2220 k = 0.6396-0.1100-0.3832 ( 3642 PWs) bands (ev): -35.0676 -35.0676 -16.0343 -16.0343 -14.6231 -14.6231 -14.5678 -14.5678 -4.6626 -4.6626 -4.4465 -4.4465 -4.3249 -4.3249 -4.2207 -4.2207 -2.2758 -2.2758 -2.2076 -2.2076 -2.1767 -2.1767 1.7511 1.7511 4.2550 4.2550 4.8063 4.8063 5.2506 5.2506 5.3899 5.3899 5.6731 5.6731 6.6310 6.6310 9.9806 9.9806 10.0276 10.0276 10.5295 10.5295 11.1874 11.1874 k = 0.6332-0.0990-0.3621 ( 3640 PWs) bands (ev): -35.0679 -35.0679 -16.0326 -16.0326 -14.6216 -14.6216 -14.5649 -14.5649 -4.6701 -4.6701 -4.4452 -4.4452 -4.3352 -4.3352 -4.2308 -4.2308 -2.2778 -2.2778 -2.2080 -2.2080 -2.1795 -2.1795 1.7350 1.7350 4.2243 4.2243 4.8726 4.8726 5.2540 5.2540 5.3653 5.3653 5.7369 5.7369 6.6885 6.6885 9.9788 9.9788 10.0372 10.0372 10.5405 10.5405 11.1412 11.1412 k = 0.6269-0.0879-0.3410 ( 3636 PWs) bands (ev): -35.0682 -35.0682 -16.0309 -16.0309 -14.6201 -14.6201 -14.5620 -14.5620 -4.6779 -4.6779 -4.4442 -4.4442 -4.3454 -4.3454 -4.2401 -4.2401 -2.2798 -2.2798 -2.2085 -2.2085 -2.1823 -2.1823 1.7203 1.7203 4.1906 4.1906 4.9398 4.9398 5.2611 5.2611 5.3416 5.3416 5.7997 5.7997 6.7465 6.7465 9.9713 9.9713 10.0494 10.0494 10.5490 10.5490 11.0920 11.0920 k = 0.6205-0.0768-0.3200 ( 3634 PWs) bands (ev): -35.0686 -35.0686 -16.0293 -16.0293 -14.6188 -14.6188 -14.5590 -14.5590 -4.6861 -4.6861 -4.4433 -4.4433 -4.3554 -4.3554 -4.2488 -4.2488 -2.2817 -2.2817 -2.2090 -2.2090 -2.1848 -2.1848 1.7071 1.7071 4.1553 4.1553 5.0026 5.0026 5.2747 5.2747 5.3201 5.3201 5.8610 5.8610 6.8050 6.8050 9.9624 9.9624 10.0601 10.0601 10.5557 10.5557 11.0406 11.0406 k = 0.6142-0.0658-0.2989 ( 3636 PWs) bands (ev): -35.0689 -35.0689 -16.0277 -16.0277 -14.6176 -14.6176 -14.5559 -14.5559 -4.6946 -4.6946 -4.4425 -4.4425 -4.3650 -4.3650 -4.2568 -4.2568 -2.2836 -2.2836 -2.2096 -2.2096 -2.1871 -2.1871 1.6951 1.6951 4.1194 4.1194 5.0541 5.0541 5.2847 5.2847 5.3170 5.3170 5.9204 5.9204 6.8638 6.8638 9.9537 9.9537 10.0677 10.0677 10.5614 10.5614 10.9870 10.9870 k = 0.6078-0.0547-0.2778 ( 3636 PWs) bands (ev): -35.0693 -35.0693 -16.0262 -16.0262 -14.6165 -14.6165 -14.5528 -14.5528 -4.7034 -4.7034 -4.4420 -4.4420 -4.3741 -4.3741 -4.2641 -4.2641 -2.2855 -2.2855 -2.2104 -2.2104 -2.1892 -2.1892 1.6844 1.6844 4.0834 4.0834 5.0888 5.0888 5.2687 5.2687 5.3598 5.3598 5.9778 5.9778 6.9226 6.9226 9.9459 9.9459 10.0717 10.0717 10.5666 10.5666 10.9307 10.9307 k = 0.6015-0.0437-0.2567 ( 3636 PWs) bands (ev): -35.0696 -35.0696 -16.0247 -16.0247 -14.6156 -14.6156 -14.5497 -14.5497 -4.7124 -4.7124 -4.4416 -4.4416 -4.3828 -4.3828 -4.2707 -4.2707 -2.2873 -2.2873 -2.2112 -2.2112 -2.1909 -2.1909 1.6750 1.6750 4.0480 4.0480 5.1075 5.1075 5.2491 5.2491 5.4248 5.4248 6.0328 6.0328 6.9813 6.9813 9.9393 9.9393 10.0720 10.0720 10.5716 10.5716 10.8711 10.8711 k = 0.5952-0.0326-0.2356 ( 3630 PWs) bands (ev): -35.0699 -35.0699 -16.0232 -16.0232 -14.6147 -14.6147 -14.5465 -14.5465 -4.7215 -4.7215 -4.4414 -4.4414 -4.3909 -4.3909 -4.2767 -4.2767 -2.2890 -2.2890 -2.2122 -2.2122 -2.1924 -2.1924 1.6667 1.6667 4.0135 4.0135 5.1154 5.1154 5.2299 5.2299 5.5022 5.5022 6.0851 6.0851 7.0395 7.0395 9.9341 9.9341 10.0689 10.0689 10.5764 10.5764 10.8078 10.8078 k = 0.5888-0.0216-0.2146 ( 3628 PWs) bands (ev): -35.0702 -35.0702 -16.0219 -16.0219 -14.6139 -14.6139 -14.5435 -14.5435 -4.7307 -4.7307 -4.4414 -4.4414 -4.3984 -4.3984 -4.2822 -4.2822 -2.2908 -2.2908 -2.2132 -2.2132 -2.1935 -2.1935 1.6595 1.6595 3.9801 3.9801 5.1170 5.1170 5.2118 5.2118 5.5864 5.5864 6.1346 6.1346 7.0969 7.0969 9.9304 9.9304 10.0629 10.0629 10.5808 10.5808 10.7407 10.7407 k = 0.5825-0.0105-0.1935 ( 3628 PWs) bands (ev): -35.0704 -35.0704 -16.0206 -16.0206 -14.6132 -14.6132 -14.5405 -14.5405 -4.7398 -4.7398 -4.4414 -4.4414 -4.4054 -4.4054 -4.2871 -4.2871 -2.2924 -2.2924 -2.2144 -2.2144 -2.1944 -2.1944 1.6533 1.6533 3.9482 3.9482 5.1150 5.1150 5.1949 5.1949 5.6742 5.6742 6.1811 6.1811 7.1531 7.1531 9.9281 9.9281 10.0544 10.0544 10.5835 10.5835 10.6709 10.6709 k = 0.5761 0.0006-0.1724 ( 3632 PWs) bands (ev): -35.0707 -35.0707 -16.0193 -16.0193 -14.6127 -14.6127 -14.5376 -14.5376 -4.7488 -4.7488 -4.4416 -4.4416 -4.4117 -4.4117 -4.2915 -4.2915 -2.2940 -2.2940 -2.2156 -2.2156 -2.1950 -2.1950 1.6479 1.6479 3.9179 3.9179 5.1108 5.1108 5.1792 5.1792 5.7634 5.7634 6.2244 6.2244 7.2079 7.2079 9.9272 9.9272 10.0441 10.0441 10.5723 10.5723 10.6109 10.6109 k = 0.5698 0.0116-0.1513 ( 3636 PWs) bands (ev): -35.0710 -35.0710 -16.0182 -16.0182 -14.6121 -14.6121 -14.5349 -14.5349 -4.7576 -4.7576 -4.4420 -4.4420 -4.4175 -4.4175 -4.2954 -4.2954 -2.2955 -2.2955 -2.2169 -2.2169 -2.1955 -2.1955 1.6435 1.6435 3.8895 3.8895 5.1055 5.1055 5.1650 5.1650 5.8523 5.8523 6.2646 6.2646 7.2606 7.2606 9.9272 9.9272 10.0327 10.0327 10.5084 10.5084 10.6004 10.6004 k = 0.5634 0.0227-0.1302 ( 3626 PWs) bands (ev): -35.0712 -35.0712 -16.0171 -16.0171 -14.6117 -14.6117 -14.5323 -14.5323 -4.7659 -4.7659 -4.4423 -4.4423 -4.4226 -4.4226 -4.2988 -4.2988 -2.2970 -2.2970 -2.2180 -2.2180 -2.1958 -2.1958 1.6397 1.6397 3.8631 3.8631 5.0994 5.0994 5.1522 5.1522 5.9399 5.9399 6.3014 6.3014 7.3109 7.3109 9.9278 9.9278 10.0208 10.0208 10.4311 10.4311 10.6014 10.6014 k = 0.5571 0.0337-0.1092 ( 3626 PWs) bands (ev): -35.0714 -35.0714 -16.0162 -16.0162 -14.6113 -14.6113 -14.5299 -14.5299 -4.7738 -4.7738 -4.4428 -4.4428 -4.4272 -4.4272 -4.3018 -4.3018 -2.2983 -2.2983 -2.2192 -2.2192 -2.1959 -2.1959 1.6366 1.6366 3.8388 3.8388 5.0930 5.0930 5.1409 5.1409 6.0247 6.0247 6.3349 6.3349 7.3583 7.3583 9.9280 9.9280 10.0093 10.0093 10.3531 10.3531 10.6029 10.6029 k = 0.5507 0.0448-0.0881 ( 3628 PWs) bands (ev): -35.0716 -35.0716 -16.0153 -16.0153 -14.6110 -14.6110 -14.5276 -14.5276 -4.7812 -4.7812 -4.4432 -4.4432 -4.4312 -4.4312 -4.3044 -4.3044 -2.2995 -2.2995 -2.2203 -2.2203 -2.1960 -2.1960 1.6341 1.6341 3.8167 3.8167 5.0865 5.0865 5.1309 5.1309 6.1055 6.1055 6.3651 6.3651 7.4024 7.4024 9.9264 9.9264 9.9994 9.9994 10.2775 10.2775 10.6041 10.6041 k = 0.5444 0.0558-0.0670 ( 3632 PWs) bands (ev): -35.0718 -35.0718 -16.0145 -16.0145 -14.6107 -14.6107 -14.5256 -14.5256 -4.7879 -4.7879 -4.4437 -4.4437 -4.4347 -4.4347 -4.3067 -4.3067 -2.3007 -2.3007 -2.2212 -2.2212 -2.1961 -2.1961 1.6321 1.6321 3.7971 3.7971 5.0803 5.0803 5.1224 5.1224 6.1810 6.1810 6.3922 6.3922 7.4426 7.4426 9.9211 9.9211 9.9924 9.9924 10.2073 10.2073 10.6048 10.6048 k = 0.5381 0.0669-0.0459 ( 3634 PWs) bands (ev): -35.0719 -35.0719 -16.0138 -16.0138 -14.6105 -14.6105 -14.5238 -14.5238 -4.7939 -4.7939 -4.4442 -4.4442 -4.4377 -4.4377 -4.3086 -4.3086 -2.3016 -2.3016 -2.2221 -2.2221 -2.1960 -2.1960 1.6305 1.6305 3.7798 3.7798 5.0744 5.0744 5.1151 5.1151 6.2497 6.2497 6.4163 6.4163 7.4785 7.4785 9.9099 9.9099 9.9891 9.9891 10.1453 10.1453 10.6051 10.6051 k = 0.5317 0.0780-0.0248 ( 3638 PWs) bands (ev): -35.0720 -35.0720 -16.0132 -16.0132 -14.6103 -14.6103 -14.5223 -14.5223 -4.7991 -4.7991 -4.4446 -4.4446 -4.4402 -4.4402 -4.3101 -4.3101 -2.3025 -2.3025 -2.2228 -2.2228 -2.1960 -2.1960 1.6292 1.6292 3.7651 3.7651 5.0691 5.0691 5.1091 5.1091 6.3098 6.3098 6.4377 6.4377 7.5097 7.5097 9.8925 9.8925 9.9890 9.9890 10.0945 10.0945 10.6051 10.6051 k = 0.5254 0.0890-0.0038 ( 3640 PWs) bands (ev): -35.0722 -35.0722 -16.0128 -16.0128 -14.6101 -14.6101 -14.5210 -14.5210 -4.8034 -4.8034 -4.4450 -4.4450 -4.4422 -4.4422 -4.3114 -4.3114 -2.3032 -2.3032 -2.2234 -2.2234 -2.1960 -2.1960 1.6283 1.6283 3.7530 3.7530 5.0646 5.0646 5.1043 5.1043 6.3596 6.3596 6.4571 6.4571 7.5358 7.5358 9.8702 9.8702 9.9907 9.9907 10.0566 10.0566 10.6049 10.6049 k = 0.5190 0.1001 0.0173 ( 3644 PWs) bands (ev): -35.0722 -35.0722 -16.0124 -16.0124 -14.6100 -14.6100 -14.5200 -14.5200 -4.8068 -4.8068 -4.4453 -4.4453 -4.4437 -4.4437 -4.3123 -4.3123 -2.3038 -2.3038 -2.2239 -2.2239 -2.1959 -2.1959 1.6276 1.6276 3.7435 3.7435 5.0610 5.0610 5.1006 5.1006 6.3971 6.3971 6.4750 6.4750 7.5565 7.5565 9.8464 9.8464 9.9927 9.9927 10.0311 10.0311 10.6046 10.6046 k = 0.5127 0.1111 0.0384 ( 3644 PWs) bands (ev): -35.0723 -35.0723 -16.0121 -16.0121 -14.6099 -14.6099 -14.5193 -14.5193 -4.8093 -4.8093 -4.4456 -4.4456 -4.4448 -4.4448 -4.3130 -4.3130 -2.3042 -2.3042 -2.2242 -2.2242 -2.1959 -2.1959 1.6272 1.6272 3.7367 3.7367 5.0584 5.0584 5.0979 5.0979 6.4217 6.4217 6.4909 6.4909 7.5714 7.5714 9.8256 9.8256 9.9939 9.9939 10.0160 10.0160 10.6043 10.6043 k = 0.5063 0.1222 0.0595 ( 3638 PWs) bands (ev): -35.0723 -35.0723 -16.0120 -16.0120 -14.6099 -14.6099 -14.5189 -14.5189 -4.8108 -4.8108 -4.4457 -4.4457 -4.4454 -4.4454 -4.3134 -4.3134 -2.3044 -2.3044 -2.2244 -2.2244 -2.1959 -2.1959 1.6269 1.6269 3.7326 3.7326 5.0568 5.0568 5.0964 5.0964 6.4350 6.4350 6.5023 6.5023 7.5805 7.5805 9.8116 9.8116 9.9935 9.9935 10.0092 10.0092 10.6041 10.6041 k = 0.5000 0.1332 0.0806 ( 3636 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8113 -4.8113 -4.4458 -4.4458 -4.4456 -4.4456 -4.3135 -4.3135 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.6268 1.6268 3.7312 3.7312 5.0562 5.0562 5.0959 5.0959 6.4391 6.4391 6.5065 6.5065 7.5835 7.5835 9.8066 9.8066 9.9929 9.9929 10.0076 10.0076 10.6040 10.6040 k = 0.5000 0.1332 0.0806 ( 3636 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8113 -4.8113 -4.4458 -4.4458 -4.4456 -4.4456 -4.3135 -4.3135 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.6268 1.6268 3.7312 3.7312 5.0562 5.0562 5.0959 5.0959 6.4391 6.4391 6.5065 6.5065 7.5835 7.5835 9.8066 9.8066 9.9929 9.9929 10.0076 10.0076 10.6040 10.6040 k = 0.4762 0.1269 0.0767 ( 3648 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8125 -4.8125 -4.4459 -4.4459 -4.4445 -4.4445 -4.3131 -4.3131 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.6236 1.6236 3.7375 3.7375 5.0565 5.0565 5.0961 5.0961 6.4386 6.4386 6.5060 6.5060 7.5750 7.5750 9.8101 9.8101 9.9930 9.9930 10.0081 10.0081 10.6062 10.6062 k = 0.4524 0.1206 0.0729 ( 3648 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8161 -4.8161 -4.4459 -4.4459 -4.4413 -4.4413 -4.3119 -4.3119 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.6142 1.6142 3.7560 3.7560 5.0573 5.0573 5.0967 5.0967 6.4369 6.4369 6.5048 6.5048 7.5496 7.5496 9.8200 9.8200 9.9933 9.9933 10.0098 10.0098 10.6125 10.6125 k = 0.4286 0.1142 0.0691 ( 3642 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8219 -4.8219 -4.4459 -4.4459 -4.4363 -4.4363 -4.3098 -4.3098 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.5989 1.5989 3.7865 3.7865 5.0587 5.0587 5.0978 5.0978 6.4342 6.4342 6.5027 6.5027 7.5084 7.5084 9.8356 9.8356 9.9939 9.9939 10.0126 10.0126 10.6228 10.6228 k = 0.4048 0.1079 0.0652 ( 3642 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8295 -4.8295 -4.4459 -4.4459 -4.4300 -4.4300 -4.3067 -4.3067 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.5785 1.5785 3.8282 3.8282 5.0605 5.0605 5.0993 5.0993 6.4305 6.4305 6.4999 6.4999 7.4525 7.4525 9.8555 9.8555 9.9946 9.9946 10.0167 10.0167 10.6365 10.6365 k = 0.3810 0.1015 0.0614 ( 3633 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8385 -4.8385 -4.4458 -4.4458 -4.4228 -4.4228 -4.3025 -4.3025 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.5538 1.5538 3.8803 3.8803 5.0628 5.0628 5.1012 5.1012 6.4258 6.4258 6.4964 6.4964 7.3837 7.3837 9.8781 9.8781 9.9955 9.9955 10.0225 10.0225 10.6530 10.6530 k = 0.3571 0.0952 0.0576 ( 3624 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8485 -4.8485 -4.4458 -4.4458 -4.4153 -4.4153 -4.2972 -4.2972 -2.3045 -2.3045 -2.2244 -2.2244 -2.1959 -2.1959 1.5256 1.5256 3.9420 3.9420 5.0656 5.0656 5.1033 5.1033 6.4202 6.4202 6.4923 6.4923 7.3036 7.3036 9.9015 9.9015 9.9965 9.9965 10.0304 10.0304 10.6715 10.6715 k = 0.3333 0.0888 0.0537 ( 3633 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8593 -4.8593 -4.4459 -4.4459 -4.4081 -4.4081 -4.2906 -4.2906 -2.3046 -2.3046 -2.2244 -2.2244 -2.1959 -2.1959 1.4950 1.4950 4.0123 4.0123 5.0687 5.0687 5.1058 5.1058 6.4139 6.4139 6.4876 6.4876 7.2139 7.2139 9.9240 9.9240 9.9977 9.9977 10.0411 10.0411 10.6910 10.6910 k = 0.3095 0.0825 0.0499 ( 3621 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8704 -4.8704 -4.4459 -4.4459 -4.4014 -4.4014 -4.2828 -4.2828 -2.3046 -2.3046 -2.2244 -2.2244 -2.1959 -2.1959 1.4628 1.4628 4.0903 4.0903 5.0721 5.0721 5.1085 5.1085 6.4068 6.4068 6.4824 6.4824 7.1161 7.1161 9.9439 9.9439 9.9989 9.9989 10.0554 10.0554 10.7106 10.7106 k = 0.2857 0.0761 0.0460 ( 3624 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8816 -4.8816 -4.4459 -4.4459 -4.3955 -4.3955 -4.2739 -4.2739 -2.3046 -2.3046 -2.2244 -2.2244 -2.1960 -2.1960 1.4299 1.4299 4.1752 4.1752 5.0757 5.0757 5.1114 5.1114 6.3992 6.3992 6.4770 6.4770 7.0117 7.0117 9.9602 9.9602 10.0002 10.0002 10.0733 10.0733 10.7293 10.7293 k = 0.2619 0.0698 0.0422 ( 3633 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.8926 -4.8926 -4.4459 -4.4459 -4.3905 -4.3905 -4.2642 -4.2642 -2.3046 -2.3046 -2.2244 -2.2244 -2.1960 -2.1960 1.3970 1.3970 4.2663 4.2663 5.0796 5.0796 5.1145 5.1145 6.3910 6.3910 6.4714 6.4714 6.9020 6.9020 9.9729 9.9729 10.0015 10.0015 10.0945 10.0945 10.7463 10.7463 k = 0.2381 0.0634 0.0384 ( 3639 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9032 -4.9032 -4.4459 -4.4459 -4.3864 -4.3864 -4.2540 -4.2540 -2.3047 -2.3047 -2.2245 -2.2245 -2.1960 -2.1960 1.3649 1.3649 4.3627 4.3627 5.0835 5.0835 5.1175 5.1175 6.3820 6.3820 6.4657 6.4657 6.7884 6.7884 9.9826 9.9826 10.0028 10.0028 10.1177 10.1177 10.7610 10.7610 k = 0.2143 0.0571 0.0345 ( 3648 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9133 -4.9133 -4.4459 -4.4459 -4.3830 -4.3830 -4.2436 -4.2436 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.3341 1.3341 4.4640 4.4640 5.0874 5.0874 5.1206 5.1206 6.3719 6.3719 6.4600 6.4600 6.6724 6.6724 9.9900 9.9900 10.0040 10.0040 10.1419 10.1419 10.7730 10.7730 k = 0.1905 0.0508 0.0307 ( 3648 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9226 -4.9226 -4.4459 -4.4459 -4.3803 -4.3803 -4.2333 -4.2333 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.3053 1.3053 4.5695 4.5695 5.0913 5.0913 5.1236 5.1236 6.3584 6.3584 6.4545 6.4545 6.5570 6.5570 9.9960 9.9960 10.0051 10.0051 10.1661 10.1661 10.7820 10.7820 k = 0.1667 0.0444 0.0269 ( 3651 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9310 -4.9310 -4.4459 -4.4459 -4.3781 -4.3781 -4.2236 -4.2236 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.2788 1.2788 4.6788 4.6788 5.0950 5.0950 5.1264 5.1264 6.3318 6.3318 6.4493 6.4493 6.4530 6.4530 10.0008 10.0008 10.0062 10.0062 10.1894 10.1894 10.7881 10.7881 k = 0.1429 0.0381 0.0230 ( 3654 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9386 -4.9386 -4.4459 -4.4459 -4.3764 -4.3764 -4.2146 -4.2146 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.2551 1.2551 4.7912 4.7912 5.0987 5.0987 5.1290 5.1290 6.2596 6.2596 6.3934 6.3934 6.4445 6.4445 10.0047 10.0047 10.0072 10.0072 10.2114 10.2114 10.7916 10.7916 k = 0.1190 0.0317 0.0192 ( 3654 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6098 -14.6098 -14.5187 -14.5187 -4.9451 -4.9451 -4.4459 -4.4459 -4.3751 -4.3751 -4.2067 -4.2067 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.2345 1.2345 4.9060 4.9060 5.1024 5.1024 5.1314 5.1314 6.1481 6.1481 6.3728 6.3728 6.4403 6.4403 10.0078 10.0078 10.0080 10.0080 10.2314 10.2314 10.7929 10.7929 k = 0.0952 0.0254 0.0153 ( 3652 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9505 -4.9505 -4.4459 -4.4459 -4.3741 -4.3741 -4.1999 -4.1999 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.2173 1.2173 5.0211 5.0211 5.1080 5.1080 5.1334 5.1334 6.0260 6.0260 6.3630 6.3630 6.4367 6.4367 10.0088 10.0088 10.0103 10.0103 10.2488 10.2488 10.7927 10.7927 k = 0.0714 0.0190 0.0115 ( 3646 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9547 -4.9547 -4.4459 -4.4459 -4.3733 -4.3733 -4.1944 -4.1944 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.2036 1.2036 5.0959 5.0959 5.1350 5.1350 5.1554 5.1554 5.9009 5.9009 6.3569 6.3569 6.4338 6.4338 10.0093 10.0093 10.0122 10.0122 10.2632 10.2632 10.7916 10.7916 k = 0.0476 0.0127 0.0077 ( 3646 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9578 -4.9578 -4.4459 -4.4459 -4.3728 -4.3728 -4.1905 -4.1905 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.1938 1.1938 5.1033 5.1033 5.1361 5.1361 5.2713 5.2713 5.7752 5.7752 6.3529 6.3529 6.4317 6.4317 10.0097 10.0097 10.0136 10.0136 10.2738 10.2738 10.7902 10.7902 k = 0.0238 0.0063 0.0038 ( 3646 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9597 -4.9597 -4.4459 -4.4459 -4.3725 -4.3725 -4.1880 -4.1880 -2.3047 -2.3047 -2.2245 -2.2245 -2.1961 -2.1961 1.1878 1.1878 5.1052 5.1052 5.1369 5.1369 5.3924 5.3924 5.6507 5.6507 6.3507 6.3507 6.4304 6.4304 10.0100 10.0100 10.0144 10.0144 10.2805 10.2805 10.7892 10.7892 k = 0.0000 0.0000 0.0000 ( 3655 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9603 -4.9603 -4.4459 -4.4459 -4.3724 -4.3724 -4.1872 -4.1872 -2.3047 -2.3047 -2.2245 -2.2245 -2.1962 -2.1962 1.1858 1.1858 5.1057 5.1057 5.1371 5.1371 5.4899 5.4899 5.5521 5.5521 6.3499 6.3499 6.4299 6.4299 10.0100 10.0100 10.0146 10.0146 10.2827 10.2827 10.7888 10.7888 k = 0.0000 0.0000 0.0000 ( 3655 PWs) bands (ev): -35.0724 -35.0724 -16.0119 -16.0119 -14.6097 -14.6097 -14.5187 -14.5187 -4.9603 -4.9603 -4.4459 -4.4459 -4.3724 -4.3724 -4.1872 -4.1872 -2.3047 -2.3047 -2.2245 -2.2245 -2.1962 -2.1962 1.1858 1.1858 5.1057 5.1057 5.1371 5.1371 5.4899 5.4899 5.5521 5.5521 6.3499 6.3499 6.4299 6.4299 10.0100 10.0100 10.0146 10.0146 10.2827 10.2827 10.7888 10.7888 k = 0.0063-0.0110-0.0210 ( 3649 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6097 -14.6097 -14.5189 -14.5189 -4.9595 -4.9595 -4.4460 -4.4460 -4.3727 -4.3727 -4.1868 -4.1868 -2.3046 -2.3046 -2.2244 -2.2244 -2.1961 -2.1961 1.1870 1.1870 5.1011 5.1011 5.1332 5.1332 5.4857 5.4857 5.5611 5.5611 6.3498 6.3498 6.4295 6.4295 10.0102 10.0102 10.0157 10.0157 10.2846 10.2846 10.7845 10.7845 k = 0.0126-0.0220-0.0420 ( 3653 PWs) bands (ev): -35.0723 -35.0723 -16.0121 -16.0121 -14.6098 -14.6098 -14.5193 -14.5193 -4.9571 -4.9571 -4.4464 -4.4464 -4.3737 -4.3737 -4.1856 -4.1856 -2.3044 -2.3044 -2.2242 -2.2242 -2.1960 -2.1960 1.1906 1.1906 5.0829 5.0829 5.1276 5.1276 5.4741 5.4741 5.5854 5.5854 6.3492 6.3492 6.4285 6.4285 10.0082 10.0082 10.0212 10.0212 10.2904 10.2904 10.7717 10.7717 k = 0.0190-0.0331-0.0630 ( 3653 PWs) bands (ev): -35.0722 -35.0722 -16.0123 -16.0123 -14.6099 -14.6099 -14.5200 -14.5200 -4.9530 -4.9530 -4.4471 -4.4471 -4.3753 -4.3753 -4.1837 -4.1837 -2.3039 -2.3039 -2.2238 -2.2238 -2.1959 -2.1959 1.1965 1.1965 5.0503 5.0503 5.1253 5.1253 5.4559 5.4559 5.6202 5.6202 6.3478 6.3478 6.4271 6.4271 10.0041 10.0041 10.0307 10.0307 10.3006 10.3006 10.7512 10.7512 k = 0.0253-0.0441-0.0840 ( 3645 PWs) bands (ev): -35.0722 -35.0722 -16.0127 -16.0127 -14.6100 -14.6100 -14.5210 -14.5210 -4.9474 -4.9474 -4.4480 -4.4480 -4.3773 -4.3773 -4.1811 -4.1811 -2.3032 -2.3032 -2.2232 -2.2232 -2.1957 -2.1957 1.2047 1.2047 5.0088 5.0088 5.1247 5.1247 5.4317 5.4317 5.6613 5.6613 6.3451 6.3451 6.4258 6.4258 9.9985 9.9985 10.0427 10.0427 10.3157 10.3157 10.7237 10.7237 k = 0.0316-0.0551-0.1051 ( 3641 PWs) bands (ev): -35.0721 -35.0721 -16.0132 -16.0132 -14.6101 -14.6101 -14.5223 -14.5223 -4.9402 -4.9402 -4.4493 -4.4493 -4.3797 -4.3797 -4.1778 -4.1778 -2.3024 -2.3024 -2.2225 -2.2225 -2.1954 -2.1954 1.2153 1.2153 4.9625 4.9625 5.1243 5.1243 5.4021 5.4021 5.7056 5.7056 6.3402 6.3402 6.4253 6.4253 9.9919 9.9919 10.0560 10.0560 10.3365 10.3365 10.6905 10.6905 k = 0.0379-0.0661-0.1261 ( 3637 PWs) bands (ev): -35.0719 -35.0719 -16.0138 -16.0138 -14.6103 -14.6103 -14.5238 -14.5238 -4.9315 -4.9315 -4.4510 -4.4510 -4.3824 -4.3824 -4.1740 -4.1740 -2.3014 -2.3014 -2.2216 -2.2216 -2.1950 -2.1950 1.2282 1.2282 4.9136 4.9136 5.1232 5.1232 5.3681 5.3681 5.7509 5.7509 6.3327 6.3327 6.4261 6.4261 9.9849 9.9849 10.0692 10.0692 10.3634 10.3634 10.6527 10.6527 k = 0.0443-0.0771-0.1471 ( 3635 PWs) bands (ev): -35.0718 -35.0718 -16.0144 -16.0144 -14.6106 -14.6106 -14.5256 -14.5256 -4.9213 -4.9213 -4.4530 -4.4530 -4.3853 -4.3853 -4.1697 -4.1697 -2.3002 -2.3002 -2.2207 -2.2207 -2.1946 -2.1946 1.2433 1.2433 4.8637 4.8637 5.1201 5.1201 5.3316 5.3316 5.7957 5.7957 6.3224 6.3224 6.4281 6.4281 9.9778 9.9778 10.0814 10.0814 10.3967 10.3967 10.6118 10.6118 k = 0.0506-0.0882-0.1681 ( 3633 PWs) bands (ev): -35.0716 -35.0716 -16.0152 -16.0152 -14.6108 -14.6108 -14.5276 -14.5276 -4.9097 -4.9097 -4.4555 -4.4555 -4.3881 -4.3881 -4.1651 -4.1651 -2.2989 -2.2989 -2.2196 -2.2196 -2.1940 -2.1940 1.2607 1.2607 4.8136 4.8136 5.1129 5.1129 5.2950 5.2950 5.8387 5.8387 6.3095 6.3095 6.4312 6.4312 9.9712 9.9712 10.0919 10.0919 10.4356 10.4356 10.5696 10.5696 k = 0.0569-0.0992-0.1891 ( 3625 PWs) bands (ev): -35.0714 -35.0714 -16.0161 -16.0161 -14.6112 -14.6112 -14.5298 -14.5298 -4.8966 -4.8966 -4.4585 -4.4585 -4.3908 -4.3908 -4.1601 -4.1601 -2.2975 -2.2975 -2.2185 -2.2185 -2.1933 -2.1933 1.2802 1.2802 4.7640 4.7640 5.0980 5.0980 5.2626 5.2626 5.8788 5.8788 6.2942 6.2942 6.4352 6.4352 9.9654 9.9654 10.1005 10.1005 10.4753 10.4753 10.5313 10.5313 k = 0.0632-0.1102-0.2101 ( 3625 PWs) bands (ev): -35.0712 -35.0712 -16.0171 -16.0171 -14.6116 -14.6116 -14.5322 -14.5322 -4.8822 -4.8822 -4.4620 -4.4620 -4.3932 -4.3932 -4.1549 -4.1549 -2.2959 -2.2959 -2.2174 -2.2174 -2.1924 -2.1924 1.3019 1.3019 4.7154 4.7154 5.0716 5.0716 5.2388 5.2388 5.9150 5.9150 6.2771 6.2771 6.4396 6.4396 9.9608 9.9608 10.1073 10.1073 10.4712 10.4712 10.5416 10.5416 k = 0.0695-0.1212-0.2311 ( 3629 PWs) bands (ev): -35.0710 -35.0710 -16.0181 -16.0181 -14.6120 -14.6120 -14.5348 -14.5348 -4.8666 -4.8666 -4.4660 -4.4660 -4.3954 -4.3954 -4.1495 -4.1495 -2.2943 -2.2943 -2.2162 -2.2162 -2.1914 -2.1914 1.3256 1.3256 4.6682 4.6682 5.0326 5.0326 5.2250 5.2250 5.9463 5.9463 6.2590 6.2590 6.4440 6.4440 9.9577 9.9577 10.1124 10.1124 10.4327 10.4327 10.5907 10.5907 k = 0.0759-0.1322-0.2521 ( 3628 PWs) bands (ev): -35.0707 -35.0707 -16.0192 -16.0192 -14.6125 -14.6125 -14.5375 -14.5375 -4.8497 -4.8497 -4.4705 -4.4705 -4.3972 -4.3972 -4.1440 -4.1440 -2.2926 -2.2926 -2.2150 -2.2150 -2.1902 -2.1902 1.3513 1.3513 4.6225 4.6225 4.9840 4.9840 5.2190 5.2190 5.9714 5.9714 6.2405 6.2405 6.4480 6.4480 9.9560 9.9560 10.1160 10.1160 10.3938 10.3938 10.6440 10.6440 k = 0.0822-0.1433-0.2731 ( 3620 PWs) bands (ev): -35.0705 -35.0705 -16.0205 -16.0205 -14.6131 -14.6131 -14.5404 -14.5404 -4.8317 -4.8317 -4.4753 -4.4753 -4.3986 -4.3986 -4.1384 -4.1384 -2.2908 -2.2908 -2.2139 -2.2139 -2.1887 -2.1887 1.3789 1.3789 4.5786 4.5786 4.9294 4.9294 5.2175 5.2175 5.9891 5.9891 6.2229 6.2229 6.4514 6.4514 9.9555 9.9555 10.1183 10.1183 10.3577 10.3577 10.6970 10.6970 k = 0.0885-0.1543-0.2942 ( 3624 PWs) bands (ev): -35.0702 -35.0702 -16.0218 -16.0218 -14.6138 -14.6138 -14.5434 -14.5434 -4.8127 -4.8127 -4.4805 -4.4805 -4.3997 -4.3997 -4.1328 -4.1328 -2.2890 -2.2890 -2.2129 -2.2129 -2.1871 -2.1871 1.4082 1.4082 4.5367 4.5367 4.8712 4.8712 5.2186 5.2186 5.9979 5.9979 6.2073 6.2073 6.4538 6.4538 9.9560 9.9560 10.1195 10.1195 10.3257 10.3257 10.7460 10.7460 k = 0.0948-0.1653-0.3152 ( 3628 PWs) bands (ev): -35.0699 -35.0699 -16.0231 -16.0231 -14.6146 -14.6146 -14.5464 -14.5464 -4.7928 -4.7928 -4.4860 -4.4860 -4.4004 -4.4004 -4.1272 -4.1272 -2.2871 -2.2871 -2.2120 -2.2120 -2.1852 -2.1852 1.4393 1.4393 4.4969 4.4969 4.8113 4.8113 5.2209 5.2209 5.9970 5.9970 6.1944 6.1944 6.4548 6.4548 9.9567 9.9567 10.1197 10.1197 10.2985 10.2985 10.7863 10.7863 k = 0.1012-0.1763-0.3362 ( 3628 PWs) bands (ev): -35.0696 -35.0696 -16.0246 -16.0246 -14.6154 -14.6154 -14.5495 -14.5495 -4.7721 -4.7721 -4.4916 -4.4916 -4.4007 -4.4007 -4.1216 -4.1216 -2.2852 -2.2852 -2.2112 -2.2112 -2.1831 -2.1831 1.4720 1.4720 4.4593 4.4593 4.7507 4.7507 5.2237 5.2237 5.9864 5.9864 6.1842 6.1842 6.4543 6.4543 9.9570 9.9570 10.1194 10.1194 10.2764 10.2764 10.8119 10.8119 k = 0.1075-0.1873-0.3572 ( 3632 PWs) bands (ev): -35.0693 -35.0693 -16.0260 -16.0260 -14.6164 -14.6164 -14.5526 -14.5526 -4.7507 -4.7507 -4.4973 -4.4973 -4.4006 -4.4006 -4.1160 -4.1160 -2.2832 -2.2832 -2.2105 -2.2105 -2.1808 -2.1808 1.5061 1.5061 4.4240 4.4240 4.6902 4.6902 5.2265 5.2265 5.9675 5.9675 6.1753 6.1753 6.4519 6.4519 9.9560 9.9560 10.1190 10.1190 10.2589 10.2589 10.8190 10.8190 k = 0.1138-0.1984-0.3782 ( 3634 PWs) bands (ev): -35.0689 -35.0689 -16.0276 -16.0276 -14.6175 -14.6175 -14.5557 -14.5557 -4.7289 -4.7289 -4.5031 -4.5031 -4.4001 -4.4001 -4.1106 -4.1106 -2.2812 -2.2812 -2.2099 -2.2099 -2.1784 -2.1784 1.5415 1.5415 4.3909 4.3909 4.6307 4.6307 5.2288 5.2288 5.9423 5.9423 6.1660 6.1660 6.4475 6.4475 9.9534 9.9534 10.1189 10.1189 10.2448 10.2448 10.8111 10.8111 k = 0.1201-0.2094-0.3992 ( 3632 PWs) bands (ev): -35.0686 -35.0686 -16.0292 -16.0292 -14.6187 -14.6187 -14.5588 -14.5588 -4.7067 -4.7067 -4.5087 -4.5087 -4.3991 -4.3991 -4.1052 -4.1052 -2.2793 -2.2793 -2.2094 -2.2094 -2.1758 -2.1758 1.5780 1.5780 4.3603 4.3603 4.5726 4.5726 5.2304 5.2304 5.9125 5.9125 6.1547 6.1547 6.4408 6.4408 9.9491 9.9491 10.1194 10.1194 10.2322 10.2322 10.7982 10.7982 k = 0.1264-0.2204-0.4202 ( 3632 PWs) bands (ev): -35.0683 -35.0683 -16.0308 -16.0308 -14.6200 -14.6200 -14.5618 -14.5618 -4.6845 -4.6845 -4.5142 -4.5142 -4.3977 -4.3977 -4.0999 -4.0999 -2.2773 -2.2773 -2.2089 -2.2089 -2.1731 -2.1731 1.6155 1.6155 4.3319 4.3319 4.5167 4.5167 5.2308 5.2308 5.8795 5.8795 6.1404 6.1404 6.4317 6.4317 9.9435 9.9435 10.1206 10.1206 10.2192 10.2192 10.7893 10.7893 k = 0.1328-0.2314-0.4412 ( 3628 PWs) bands (ev): -35.0679 -35.0679 -16.0324 -16.0324 -14.6214 -14.6214 -14.5647 -14.5647 -4.6624 -4.6624 -4.5193 -4.5193 -4.3956 -4.3956 -4.0948 -4.0948 -2.2753 -2.2753 -2.2085 -2.2085 -2.1704 -2.1704 1.6537 1.6537 4.3059 4.3059 4.4635 4.4635 5.2297 5.2297 5.8441 5.8441 6.1226 6.1226 6.4202 6.4202 9.9373 9.9373 10.1222 10.1222 10.2041 10.2041 10.7906 10.7906 k = 0.1391-0.2425-0.4622 ( 3626 PWs) bands (ev): -35.0676 -35.0676 -16.0341 -16.0341 -14.6230 -14.6230 -14.5676 -14.5676 -4.6410 -4.6410 -4.5240 -4.5240 -4.3928 -4.3928 -4.0898 -4.0898 -2.2732 -2.2732 -2.2081 -2.2081 -2.1676 -2.1676 1.6926 1.6926 4.2821 4.2821 4.4134 4.4134 5.2268 5.2268 5.8072 5.8072 6.1010 6.1010 6.4061 6.4061 9.9309 9.9309 10.1243 10.1243 10.1865 10.1865 10.8046 10.8046 k = 0.1454-0.2535-0.4833 ( 3636 PWs) bands (ev): -35.0672 -35.0672 -16.0358 -16.0358 -14.6246 -14.6246 -14.5703 -14.5703 -4.6208 -4.6208 -4.5279 -4.5279 -4.3891 -4.3891 -4.0849 -4.0849 -2.2712 -2.2712 -2.2078 -2.2078 -2.1649 -2.1649 1.7317 1.7317 4.2603 4.2603 4.3672 4.3672 5.2218 5.2218 5.7693 5.7693 6.0756 6.0756 6.3897 6.3897 9.9247 9.9247 10.1268 10.1268 10.1672 10.1672 10.8314 10.8314 k = 0.1517-0.2645-0.5043 ( 3626 PWs) bands (ev): -35.0669 -35.0669 -16.0375 -16.0375 -14.6264 -14.6264 -14.5730 -14.5730 -4.6026 -4.6026 -4.5304 -4.5304 -4.3843 -4.3843 -4.0802 -4.0802 -2.2692 -2.2692 -2.2075 -2.2075 -2.1621 -2.1621 1.7710 1.7710 4.2404 4.2404 4.3254 4.3254 5.2142 5.2142 5.7307 5.7307 6.0466 6.0466 6.3711 6.3711 9.9188 9.9188 10.1296 10.1296 10.1479 10.1479 10.8698 10.8698 k = 0.1581-0.2755-0.5253 ( 3622 PWs) bands (ev): -35.0665 -35.0665 -16.0392 -16.0392 -14.6283 -14.6283 -14.5755 -14.5755 -4.5878 -4.5878 -4.5307 -4.5307 -4.3781 -4.3781 -4.0757 -4.0757 -2.2672 -2.2672 -2.2072 -2.2072 -2.1595 -2.1595 1.8102 1.8102 4.2219 4.2219 4.2887 4.2887 5.2038 5.2038 5.6919 5.6919 6.0142 6.0142 6.3505 6.3505 9.9130 9.9130 10.1273 10.1273 10.1358 10.1358 10.9179 10.9179 k = 0.1644-0.2865-0.5463 ( 3632 PWs) bands (ev): -35.0662 -35.0662 -16.0410 -16.0410 -14.6302 -14.6302 -14.5779 -14.5779 -4.5779 -4.5779 -4.5274 -4.5274 -4.3702 -4.3702 -4.0714 -4.0714 -2.2652 -2.2652 -2.2069 -2.2069 -2.1569 -2.1569 1.8489 1.8489 4.2042 4.2042 4.2582 4.2582 5.1902 5.1902 5.6532 5.6532 5.9786 5.9786 6.3282 6.3282 9.9070 9.9070 10.1134 10.1134 10.1391 10.1391 10.9734 10.9734 k = 0.1707-0.2976-0.5673 ( 3630 PWs) bands (ev): -35.0658 -35.0658 -16.0427 -16.0427 -14.6322 -14.6322 -14.5802 -14.5802 -4.5734 -4.5734 -4.5206 -4.5206 -4.3603 -4.3603 -4.0672 -4.0672 -2.2632 -2.2632 -2.2066 -2.2066 -2.1545 -2.1545 1.8870 1.8870 4.1868 4.1868 4.2345 4.2345 5.1731 5.1731 5.6150 5.6150 5.9402 5.9402 6.3047 6.3047 9.9005 9.9005 10.1025 10.1025 10.1443 10.1443 11.0344 11.0344 k = 0.1770-0.3086-0.5883 ( 3632 PWs) bands (ev): -35.0655 -35.0655 -16.0443 -16.0443 -14.6342 -14.6342 -14.5824 -14.5824 -4.5726 -4.5726 -4.5121 -4.5121 -4.3484 -4.3484 -4.0633 -4.0633 -2.2612 -2.2612 -2.2063 -2.2063 -2.1522 -2.1522 1.9242 1.9242 4.1703 4.1703 4.2174 4.2174 5.1522 5.1522 5.5774 5.5774 5.8993 5.8993 6.2803 6.2803 9.8933 9.8933 10.0963 10.0963 10.1506 10.1506 11.0987 11.0987 k = 0.1834-0.3196-0.6093 ( 3632 PWs) bands (ev): -35.0651 -35.0651 -16.0460 -16.0460 -14.6363 -14.6363 -14.5845 -14.5845 -4.5736 -4.5736 -4.5038 -4.5038 -4.3344 -4.3344 -4.0595 -4.0595 -2.2591 -2.2591 -2.2060 -2.2060 -2.1501 -2.1501 1.9604 1.9604 4.1559 4.1559 4.2055 4.2055 5.1272 5.1272 5.5408 5.5408 5.8563 5.8563 6.2555 6.2555 9.8856 9.8856 10.0948 10.0948 10.1580 10.1580 11.1642 11.1642 k = 0.1897-0.3306-0.6303 ( 3632 PWs) bands (ev): -35.0648 -35.0648 -16.0476 -16.0476 -14.6383 -14.6383 -14.5865 -14.5865 -4.5754 -4.5754 -4.4967 -4.4967 -4.3187 -4.3187 -4.0559 -4.0559 -2.2571 -2.2571 -2.2056 -2.2056 -2.1481 -2.1481 1.9952 1.9952 4.1453 4.1453 4.1977 4.1977 5.0982 5.0982 5.5055 5.5055 5.8115 5.8115 6.2305 6.2305 9.8774 9.8774 10.0975 10.0975 10.1665 10.1665 11.2283 11.2283 k = 0.1960-0.3416-0.6513 ( 3626 PWs) bands (ev): -35.0645 -35.0645 -16.0491 -16.0491 -14.6403 -14.6403 -14.5885 -14.5885 -4.5774 -4.5774 -4.4911 -4.4911 -4.3015 -4.3015 -4.0526 -4.0526 -2.2550 -2.2550 -2.2051 -2.2051 -2.1464 -2.1464 2.0286 2.0286 4.1389 4.1389 4.1931 4.1931 5.0650 5.0650 5.4716 5.4716 5.7653 5.7653 6.2059 6.2059 9.8691 9.8691 10.1038 10.1038 10.1762 10.1762 11.2882 11.2882 k = 0.2023-0.3527-0.6724 ( 3626 PWs) bands (ev): -35.0642 -35.0642 -16.0507 -16.0507 -14.6422 -14.6422 -14.5903 -14.5903 -4.5794 -4.5794 -4.4869 -4.4869 -4.2834 -4.2834 -4.0494 -4.0494 -2.2529 -2.2529 -2.2046 -2.2046 -2.1448 -2.1448 2.0603 2.0603 4.1371 4.1371 4.1916 4.1916 5.0277 5.0277 5.4395 5.4395 5.7180 5.7180 6.1818 6.1818 9.8608 9.8608 10.1126 10.1126 10.1875 10.1875 11.3406 11.3406 k = 0.2086-0.3637-0.6934 ( 3630 PWs) bands (ev): -35.0639 -35.0639 -16.0521 -16.0521 -14.6440 -14.6440 -14.5922 -14.5922 -4.5811 -4.5811 -4.4839 -4.4839 -4.2648 -4.2648 -4.0464 -4.0464 -2.2509 -2.2509 -2.2040 -2.2040 -2.1435 -2.1435 2.0904 2.0904 4.1390 4.1390 4.1936 4.1936 4.9865 4.9865 5.4094 5.4094 5.6698 5.6698 6.1585 6.1585 9.8525 9.8525 10.1231 10.1231 10.2005 10.2005 11.3816 11.3816 k = 0.2150-0.3747-0.7144 ( 3628 PWs) bands (ev): -35.0636 -35.0636 -16.0535 -16.0535 -14.6458 -14.6458 -14.5940 -14.5940 -4.5825 -4.5825 -4.4819 -4.4819 -4.2460 -4.2460 -4.0435 -4.0435 -2.2488 -2.2488 -2.2034 -2.2034 -2.1425 -2.1425 2.1188 2.1188 4.1435 4.1435 4.2002 4.2002 4.9417 4.9417 5.3815 5.3815 5.6212 5.6212 6.1361 6.1361 9.8440 9.8440 10.1345 10.1345 10.2156 10.2156 11.4076 11.4076 k = 0.2213-0.3857-0.7354 ( 3632 PWs) bands (ev): -35.0633 -35.0633 -16.0549 -16.0549 -14.6474 -14.6474 -14.5957 -14.5957 -4.5836 -4.5836 -4.4807 -4.4807 -4.2274 -4.2274 -4.0409 -4.0409 -2.2467 -2.2467 -2.2026 -2.2026 -2.1416 -2.1416 2.1455 2.1455 4.1486 4.1486 4.2128 4.2128 4.8937 4.8937 5.3559 5.3559 5.5725 5.5725 6.1145 6.1145 9.8351 9.8351 10.1460 10.1460 10.2329 10.2329 11.4159 11.4159 k = 0.2276-0.3967-0.7564 ( 3636 PWs) bands (ev): -35.0631 -35.0631 -16.0561 -16.0561 -14.6488 -14.6488 -14.5975 -14.5975 -4.5844 -4.5844 -4.4803 -4.4803 -4.2092 -4.2092 -4.0384 -4.0384 -2.2446 -2.2446 -2.2018 -2.2018 -2.1411 -2.1411 2.1706 2.1706 4.1529 4.1529 4.2324 4.2324 4.8429 4.8429 5.3326 5.3326 5.5240 5.5240 6.0939 6.0939 9.8252 9.8252 10.1577 10.1577 10.2524 10.2524 11.4058 11.4058 k = 0.2339-0.4078-0.7774 ( 3648 PWs) bands (ev): -35.0628 -35.0628 -16.0573 -16.0573 -14.6502 -14.6502 -14.5992 -14.5992 -4.5847 -4.5847 -4.4806 -4.4806 -4.1917 -4.1917 -4.0361 -4.0361 -2.2425 -2.2425 -2.2009 -2.2009 -2.1408 -2.1408 2.1942 2.1942 4.1562 4.1562 4.2587 4.2587 4.7900 4.7900 5.3115 5.3115 5.4764 5.4764 6.0741 6.0741 9.8140 9.8140 10.1697 10.1697 10.2738 10.2738 11.3792 11.3792 k = 0.2403-0.4188-0.7984 ( 3646 PWs) bands (ev): -35.0626 -35.0626 -16.0585 -16.0585 -14.6513 -14.6513 -14.6009 -14.6009 -4.5846 -4.5846 -4.4813 -4.4813 -4.1750 -4.1750 -4.0339 -4.0339 -2.2404 -2.2404 -2.1999 -2.1999 -2.1407 -2.1407 2.2164 2.2164 4.1584 4.1584 4.2911 4.2911 4.7356 4.7356 5.2921 5.2921 5.4306 5.4306 6.0551 6.0551 9.8007 9.8007 10.1826 10.1826 10.2965 10.2965 11.3400 11.3400 k = 0.2466-0.4298-0.8194 ( 3646 PWs) bands (ev): -35.0624 -35.0624 -16.0595 -16.0595 -14.6523 -14.6523 -14.6025 -14.6025 -4.5841 -4.5841 -4.4825 -4.4825 -4.1593 -4.1593 -4.0318 -4.0318 -2.2384 -2.2384 -2.1988 -2.1988 -2.1409 -2.1409 2.2374 2.2374 4.1599 4.1599 4.3287 4.3287 4.6801 4.6801 5.2731 5.2731 5.3881 5.3881 6.0366 6.0366 9.7851 9.7851 10.1968 10.1968 10.3197 10.3197 11.2925 11.2925 k = 0.2529-0.4408-0.8404 ( 3642 PWs) bands (ev): -35.0622 -35.0622 -16.0605 -16.0605 -14.6532 -14.6532 -14.6042 -14.6042 -4.5831 -4.5831 -4.4842 -4.4842 -4.1447 -4.1447 -4.0299 -4.0299 -2.2363 -2.2363 -2.1975 -2.1975 -2.1413 -2.1413 2.2572 2.2572 4.1607 4.1607 4.3706 4.3706 4.6244 4.6244 5.2517 5.2517 5.3520 5.3520 6.0187 6.0187 9.7668 9.7668 10.2131 10.2131 10.3429 10.3429 11.2404 11.2404 k = 0.2592-0.4518-0.8615 ( 3642 PWs) bands (ev): -35.0620 -35.0620 -16.0613 -16.0613 -14.6538 -14.6538 -14.6058 -14.6058 -4.5817 -4.5817 -4.4863 -4.4863 -4.1312 -4.1312 -4.0280 -4.0280 -2.2344 -2.2344 -2.1962 -2.1962 -2.1419 -2.1419 2.2760 2.2760 4.1609 4.1609 4.4161 4.4161 4.5693 4.5693 5.2240 5.2240 5.3263 5.3263 6.0012 6.0012 9.7457 9.7457 10.2317 10.2317 10.3649 10.3649 11.1866 11.1866 k = 0.2655-0.4629-0.8825 ( 3646 PWs) bands (ev): -35.0618 -35.0618 -16.0621 -16.0621 -14.6543 -14.6543 -14.6075 -14.6075 -4.5799 -4.5799 -4.4887 -4.4887 -4.1191 -4.1191 -4.0262 -4.0262 -2.2324 -2.2324 -2.1947 -2.1947 -2.1428 -2.1428 2.2939 2.2939 4.1604 4.1604 4.4630 4.4630 4.5167 4.5167 5.1892 5.1892 5.3121 5.3121 5.9840 5.9840 9.7221 9.7221 10.2527 10.2527 10.3849 10.3849 11.1340 11.1340 k = 0.2719-0.4739-0.9035 ( 3654 PWs) bands (ev): -35.0617 -35.0617 -16.0629 -16.0629 -14.6547 -14.6547 -14.6091 -14.6091 -4.5776 -4.5776 -4.4915 -4.4915 -4.1083 -4.1083 -4.0243 -4.0243 -2.2306 -2.2306 -2.1931 -2.1931 -2.1440 -2.1440 2.3109 2.3109 4.1593 4.1593 4.4581 4.4581 4.5199 4.5199 5.1497 5.1497 5.3070 5.3070 5.9671 5.9671 9.6963 9.6963 10.2758 10.2758 10.4019 10.4019 11.0847 11.0847 k = 0.2782-0.4849-0.9245 ( 3652 PWs) bands (ev): -35.0615 -35.0615 -16.0635 -16.0635 -14.6548 -14.6548 -14.6106 -14.6106 -4.5750 -4.5750 -4.4947 -4.4947 -4.0989 -4.0989 -4.0225 -4.0225 -2.2288 -2.2288 -2.1914 -2.1914 -2.1452 -2.1452 2.3269 2.3269 4.1575 4.1575 4.4091 4.4091 4.5712 4.5712 5.1082 5.1082 5.3081 5.3081 5.9504 5.9504 9.6688 9.6688 10.2996 10.2996 10.4153 10.4153 11.0413 11.0413 k = 0.2845-0.4959-0.9455 ( 3644 PWs) bands (ev): -35.0614 -35.0614 -16.0640 -16.0640 -14.6549 -14.6549 -14.6121 -14.6121 -4.5719 -4.5719 -4.4982 -4.4982 -4.0909 -4.0909 -4.0207 -4.0207 -2.2272 -2.2272 -2.1897 -2.1897 -2.1467 -2.1467 2.3419 2.3419 4.1550 4.1550 4.3618 4.3618 4.6249 4.6249 5.0664 5.0664 5.3140 5.3140 5.9339 5.9339 9.6403 9.6403 10.3210 10.3210 10.4264 10.4264 11.0059 11.0059 k = 0.2908-0.5069-0.9665 ( 3648 PWs) bands (ev): -35.0613 -35.0613 -16.0645 -16.0645 -14.6548 -14.6548 -14.6135 -14.6135 -4.5684 -4.5684 -4.5021 -4.5021 -4.0842 -4.0842 -4.0188 -4.0188 -2.2256 -2.2256 -2.1878 -2.1878 -2.1483 -2.1483 2.3557 2.3557 4.1519 4.1519 4.3181 4.3181 4.6791 4.6791 5.0252 5.0252 5.3236 5.3236 5.9176 5.9176 9.6115 9.6115 10.3333 10.3333 10.4404 10.4404 10.9802 10.9802 k = 0.2972-0.5180-0.9875 ( 3648 PWs) bands (ev): -35.0612 -35.0612 -16.0649 -16.0649 -14.6546 -14.6546 -14.6148 -14.6148 -4.5645 -4.5645 -4.5062 -4.5062 -4.0788 -4.0788 -4.0170 -4.0170 -2.2242 -2.2242 -2.1860 -2.1860 -2.1499 -2.1499 2.3681 2.3681 4.1481 4.1481 4.2789 4.2789 4.7328 4.7328 4.9852 4.9852 5.3363 5.3363 5.9016 5.9016 9.5830 9.5830 10.3290 10.3290 10.4637 10.4637 10.9651 10.9651 k = 0.3035-0.5290-1.0085 ( 3648 PWs) bands (ev): -35.0611 -35.0611 -16.0652 -16.0652 -14.6543 -14.6543 -14.6160 -14.6160 -4.5603 -4.5603 -4.5108 -4.5108 -4.0747 -4.0747 -4.0153 -4.0153 -2.2230 -2.2230 -2.1841 -2.1841 -2.1516 -2.1516 2.3789 2.3789 4.1434 4.1434 4.2450 4.2450 4.7849 4.7849 4.9473 4.9473 5.3515 5.3515 5.8859 5.8859 9.5555 9.5555 10.3078 10.3078 10.4969 10.4969 10.9597 10.9597 k = 0.3098-0.5400-1.0295 ( 3650 PWs) bands (ev): -35.0611 -35.0611 -16.0655 -16.0655 -14.6540 -14.6540 -14.6171 -14.6171 -4.5557 -4.5557 -4.5156 -4.5156 -4.0716 -4.0716 -4.0137 -4.0137 -2.2220 -2.2220 -2.1824 -2.1824 -2.1533 -2.1533 2.3878 2.3878 4.1377 4.1377 4.2173 4.2173 4.8321 4.8321 4.9145 4.9145 5.3688 5.3688 5.8705 5.8705 9.5296 9.5296 10.2744 10.2744 10.5369 10.5369 10.9625 10.9625 k = 0.3161-0.5510-1.0506 ( 3642 PWs) bands (ev): -35.0610 -35.0610 -16.0656 -16.0656 -14.6537 -14.6537 -14.6179 -14.6179 -4.5508 -4.5508 -4.5207 -4.5207 -4.0694 -4.0694 -4.0124 -4.0124 -2.2212 -2.2212 -2.1808 -2.1808 -2.1547 -2.1547 2.3945 2.3945 4.1309 4.1309 4.1964 4.1964 4.8512 4.8512 4.9096 4.9096 5.3877 5.3877 5.8556 5.8556 9.5058 9.5058 10.2328 10.2328 10.5813 10.5813 10.9709 10.9709 k = 0.3224-0.5620-1.0716 ( 3644 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6534 -14.6534 -14.6185 -14.6185 -4.5456 -4.5456 -4.5261 -4.5261 -4.0681 -4.0681 -4.0113 -4.0113 -2.2206 -2.2206 -2.1794 -2.1794 -2.1559 -2.1559 2.3988 2.3988 4.1237 4.1237 4.1822 4.1822 4.8278 4.8278 4.9466 4.9466 5.4076 5.4076 5.8412 5.8412 9.4843 9.4843 10.1862 10.1862 10.6288 10.6288 10.9824 10.9824 k = 0.3288-0.5731-1.0926 ( 3644 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6533 -14.6533 -14.6189 -14.6189 -4.5402 -4.5402 -4.5318 -4.5318 -4.0674 -4.0674 -4.0106 -4.0106 -2.2203 -2.2203 -2.1785 -2.1785 -2.1567 -2.1567 2.4003 2.4003 4.1178 4.1178 4.1735 4.1735 4.7981 4.7981 4.9891 4.9891 5.4283 5.4283 5.8274 5.8274 9.4654 9.4654 10.1369 10.1369 10.6784 10.6784 10.9940 10.9940 k = 0.3351-0.5841-1.1136 ( 3644 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6532 -14.6532 -14.6190 -14.6190 -4.5379 -4.5379 -4.5344 -4.5344 -4.0673 -4.0673 -4.0103 -4.0103 -2.2202 -2.2202 -2.1780 -2.1780 -2.1568 -2.1568 2.3989 2.3989 4.1145 4.1145 4.1690 4.1690 4.7694 4.7694 5.0297 5.0297 5.4492 5.4492 5.8142 5.8142 9.4490 9.4490 10.0866 10.0866 10.7295 10.7295 11.0029 11.0029 k = 0.3414-0.5951-1.1346 ( 3638 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6533 -14.6533 -14.6187 -14.6187 -4.5441 -4.5441 -4.5285 -4.5285 -4.0676 -4.0676 -4.0104 -4.0104 -2.2206 -2.2206 -2.1780 -2.1780 -2.1564 -2.1564 2.3946 2.3946 4.1143 4.1143 4.1686 4.1686 4.7429 4.7429 5.0671 5.0671 5.4699 5.4699 5.8018 5.8018 9.4350 9.4350 10.0369 10.0369 10.7813 10.7813 11.0060 11.0060 k = 0.6586-0.4619-1.0540 ( 3638 PWs) bands (ev): -35.0610 -35.0610 -16.0658 -16.0658 -14.6533 -14.6533 -14.6187 -14.6187 -4.5441 -4.5441 -4.5285 -4.5285 -4.0676 -4.0676 -4.0104 -4.0104 -2.2206 -2.2206 -2.1780 -2.1780 -2.1564 -2.1564 2.3946 2.3946 4.1143 4.1143 4.1686 4.1686 4.7429 4.7429 5.0671 5.0671 5.4699 5.4699 5.8018 5.8018 9.4350 9.4350 10.0369 10.0369 10.7813 10.7813 11.0060 11.0060 k = 0.6522-0.4381-1.0540 ( 3644 PWs) bands (ev): -35.0610 -35.0610 -16.0657 -16.0657 -14.6537 -14.6537 -14.6181 -14.6181 -4.5506 -4.5506 -4.5223 -4.5223 -4.0683 -4.0683 -4.0109 -4.0109 -2.2213 -2.2213 -2.1784 -2.1784 -2.1555 -2.1555 2.3872 2.3872 4.1161 4.1161 4.1730 4.1730 4.7191 4.7191 5.1008 5.1008 5.4900 5.4900 5.7901 5.7901 9.4227 9.4227 9.9888 9.9888 10.8330 10.8330 11.0008 11.0008 k = 0.6459-0.4143-1.0540 ( 3648 PWs) bands (ev): -35.0611 -35.0611 -16.0656 -16.0656 -14.6542 -14.6542 -14.6172 -14.6172 -4.5573 -4.5573 -4.5160 -4.5160 -4.0693 -4.0693 -4.0118 -4.0118 -2.2224 -2.2224 -2.1790 -2.1790 -2.1542 -2.1542 2.3770 2.3770 4.1179 4.1179 4.1841 4.1841 4.6984 4.6984 5.1305 5.1305 5.5090 5.5090 5.7791 5.7791 9.4114 9.4114 9.9435 9.9435 10.8824 10.8824 10.9877 10.9877 k = 0.6396-0.3905-1.0540 ( 3652 PWs) bands (ev): -35.0611 -35.0611 -16.0655 -16.0655 -14.6548 -14.6548 -14.6160 -14.6160 -4.5642 -4.5642 -4.5096 -4.5096 -4.0705 -4.0705 -4.0130 -4.0130 -2.2239 -2.2239 -2.1797 -2.1797 -2.1526 -2.1526 2.3642 2.3642 4.1181 4.1181 4.2031 4.2031 4.6812 4.6812 5.1561 5.1561 5.5265 5.5265 5.7689 5.7689 9.4004 9.4004 9.9017 9.9017 10.9210 10.9210 10.9765 10.9765 k = 0.6332-0.3666-1.0540 ( 3648 PWs) bands (ev): -35.0611 -35.0611 -16.0653 -16.0653 -14.6557 -14.6557 -14.6145 -14.6145 -4.5712 -4.5712 -4.5031 -4.5031 -4.0718 -4.0718 -4.0146 -4.0146 -2.2257 -2.2257 -2.1802 -2.1802 -2.1508 -2.1508 2.3489 2.3489 4.1164 4.1164 4.2296 4.2296 4.6678 4.6678 5.1776 5.1776 5.5421 5.5421 5.7593 5.7593 9.3885 9.3885 9.8638 9.8638 10.9190 10.9190 10.9992 10.9992 k = 0.6269-0.3428-1.0540 ( 3650 PWs) bands (ev): -35.0612 -35.0612 -16.0651 -16.0651 -14.6566 -14.6566 -14.6128 -14.6128 -4.5784 -4.5784 -4.4965 -4.4965 -4.0733 -4.0733 -4.0165 -4.0165 -2.2280 -2.2280 -2.1807 -2.1807 -2.1490 -2.1490 2.3316 2.3316 4.1129 4.1129 4.2629 4.2629 4.6585 4.6585 5.1953 5.1953 5.5555 5.5555 5.7503 5.7503 9.3750 9.3750 9.8297 9.8297 10.8952 10.8952 11.0397 11.0397 k = 0.6205-0.3190-1.0540 ( 3650 PWs) bands (ev): -35.0613 -35.0613 -16.0648 -16.0648 -14.6577 -14.6577 -14.6109 -14.6109 -4.5857 -4.5857 -4.4899 -4.4899 -4.0748 -4.0748 -4.0186 -4.0186 -2.2306 -2.2306 -2.1811 -2.1811 -2.1472 -2.1472 2.3126 2.3126 4.1080 4.1080 4.3019 4.3019 4.6533 4.6533 5.2095 5.2095 5.5663 5.5663 5.7418 5.7418 9.3592 9.3592 9.7985 9.7985 10.8707 10.8707 11.0799 11.0799 k = 0.6142-0.2952-1.0540 ( 3650 PWs) bands (ev): -35.0613 -35.0613 -16.0646 -16.0646 -14.6588 -14.6588 -14.6089 -14.6089 -4.5929 -4.5929 -4.4833 -4.4833 -4.0764 -4.0764 -4.0210 -4.0210 -2.2334 -2.2334 -2.1813 -2.1813 -2.1453 -2.1453 2.2923 2.2923 4.1019 4.1019 4.3458 4.3458 4.6525 4.6525 5.2204 5.2204 5.5742 5.5742 5.7335 5.7335 9.3412 9.3412 9.7689 9.7689 10.8509 10.8509 11.1172 11.1172 k = 0.6078-0.2714-1.0540 ( 3650 PWs) bands (ev): -35.0614 -35.0614 -16.0643 -16.0643 -14.6600 -14.6600 -14.6067 -14.6067 -4.6002 -4.6002 -4.4768 -4.4768 -4.0779 -4.0779 -4.0236 -4.0236 -2.2364 -2.2364 -2.1814 -2.1814 -2.1435 -2.1435 2.2712 2.2712 4.0946 4.0946 4.3936 4.3936 4.6561 4.6561 5.2287 5.2287 5.5789 5.5789 5.7255 5.7255 9.3212 9.3212 9.7387 9.7387 10.8388 10.8388 11.1516 11.1516 k = 0.6015-0.2476-1.0540 ( 3644 PWs) bands (ev): -35.0615 -35.0615 -16.0641 -16.0641 -14.6612 -14.6612 -14.6045 -14.6045 -4.6074 -4.6074 -4.4704 -4.4704 -4.0794 -4.0794 -4.0264 -4.0264 -2.2396 -2.2396 -2.1814 -2.1814 -2.1418 -2.1418 2.2495 2.2495 4.0863 4.0863 4.4446 4.4446 4.6641 4.6641 5.2346 5.2346 5.5803 5.5803 5.7175 5.7175 9.2998 9.2998 9.7062 9.7062 10.8365 10.8365 11.1841 11.1841 k = 0.5952-0.2238-1.0540 ( 3646 PWs) bands (ev): -35.0615 -35.0615 -16.0638 -16.0638 -14.6623 -14.6623 -14.6022 -14.6022 -4.6145 -4.6145 -4.4641 -4.4641 -4.0808 -4.0808 -4.0293 -4.0293 -2.2428 -2.2428 -2.1813 -2.1813 -2.1401 -2.1401 2.2276 2.2276 4.0773 4.0773 4.4978 4.4978 4.6763 4.6763 5.2388 5.2388 5.5782 5.5782 5.7096 5.7096 9.2779 9.2779 9.6698 9.6698 10.8450 10.8450 11.2158 11.2158 k = 0.5888-0.2000-1.0540 ( 3644 PWs) bands (ev): -35.0616 -35.0616 -16.0636 -16.0636 -14.6635 -14.6635 -14.6000 -14.6000 -4.6215 -4.6215 -4.4580 -4.4580 -4.0820 -4.0820 -4.0324 -4.0324 -2.2461 -2.2461 -2.1811 -2.1811 -2.1386 -2.1386 2.2059 2.2059 4.0677 4.0677 4.5523 4.5523 4.6928 4.6928 5.2416 5.2416 5.5725 5.5725 5.7016 5.7016 9.2560 9.2560 9.6287 9.6287 10.8646 10.8646 11.2479 11.2479 k = 0.5825-0.1762-1.0540 ( 3646 PWs) bands (ev): -35.0617 -35.0617 -16.0633 -16.0633 -14.6647 -14.6647 -14.5977 -14.5977 -4.6282 -4.6282 -4.4521 -4.4521 -4.0831 -4.0831 -4.0356 -4.0356 -2.2494 -2.2494 -2.1809 -2.1809 -2.1371 -2.1371 2.1846 2.1846 4.0578 4.0578 4.6069 4.6069 4.7135 4.7135 5.2436 5.2436 5.5632 5.5632 5.6936 5.6936 9.2349 9.2349 9.5827 9.5827 10.8948 10.8948 11.2810 11.2810 k = 0.5761-0.1524-1.0540 ( 3652 PWs) bands (ev): -35.0618 -35.0618 -16.0631 -16.0631 -14.6658 -14.6658 -14.5956 -14.5956 -4.6347 -4.6347 -4.4465 -4.4465 -4.0840 -4.0840 -4.0388 -4.0388 -2.2526 -2.2526 -2.1807 -2.1807 -2.1358 -2.1358 2.1640 2.1640 4.0478 4.0478 4.6602 4.6602 4.7386 4.7386 5.2451 5.2451 5.5503 5.5503 5.6857 5.6857 9.2150 9.2150 9.5327 9.5327 10.9343 10.9343 11.3154 11.3154 k = 0.5698-0.1286-1.0540 ( 3646 PWs) bands (ev): -35.0618 -35.0618 -16.0628 -16.0628 -14.6668 -14.6668 -14.5935 -14.5935 -4.6409 -4.6409 -4.4411 -4.4411 -4.0847 -4.0847 -4.0421 -4.0421 -2.2557 -2.2557 -2.1804 -2.1804 -2.1345 -2.1345 2.1443 2.1443 4.0378 4.0378 4.7104 4.7104 4.7688 4.7688 5.2468 5.2468 5.5340 5.5340 5.6778 5.6778 9.1966 9.1966 9.4796 9.4796 10.9817 10.9817 11.3511 11.3511 k = 0.5634-0.1048-1.0540 ( 3640 PWs) bands (ev): -35.0619 -35.0619 -16.0626 -16.0626 -14.6678 -14.6678 -14.5915 -14.5915 -4.6468 -4.6468 -4.4361 -4.4361 -4.0852 -4.0852 -4.0454 -4.0454 -2.2586 -2.2586 -2.1801 -2.1801 -2.1333 -2.1333 2.1257 2.1257 4.0282 4.0282 4.7556 4.7556 4.8046 4.8046 5.2489 5.2489 5.5143 5.5143 5.6701 5.6701 9.1798 9.1798 9.4249 9.4249 11.0353 11.0353 11.3877 11.3877 k = 0.5571-0.0810-1.0540 ( 3640 PWs) bands (ev): -35.0620 -35.0620 -16.0624 -16.0624 -14.6687 -14.6687 -14.5896 -14.5896 -4.6522 -4.6522 -4.4314 -4.4314 -4.0854 -4.0854 -4.0487 -4.0487 -2.2614 -2.2614 -2.1798 -2.1798 -2.1323 -2.1323 2.1085 2.1085 4.0189 4.0189 4.7958 4.7958 4.8445 4.8445 5.2520 5.2520 5.4914 5.4914 5.6628 5.6628 9.1648 9.1648 9.3700 9.3700 11.0937 11.0937 11.4245 11.4245 k = 0.5507-0.0572-1.0540 ( 3630 PWs) bands (ev): -35.0620 -35.0620 -16.0622 -16.0622 -14.6695 -14.6695 -14.5878 -14.5878 -4.6572 -4.6572 -4.4271 -4.4271 -4.0853 -4.0853 -4.0520 -4.0520 -2.2639 -2.2639 -2.1796 -2.1796 -2.1314 -2.1314 2.0927 2.0927 4.0103 4.0103 4.8335 4.8335 4.8849 4.8849 5.2564 5.2564 5.4656 5.4656 5.6560 5.6560 9.1515 9.1515 9.3163 9.3163 11.1552 11.1552 11.4605 11.4605 k = 0.5444-0.0334-1.0540 ( 3636 PWs) bands (ev): -35.0621 -35.0621 -16.0620 -16.0620 -14.6703 -14.6703 -14.5863 -14.5863 -4.6617 -4.6617 -4.4233 -4.4233 -4.0850 -4.0850 -4.0552 -4.0552 -2.2663 -2.2663 -2.1793 -2.1793 -2.1306 -2.1306 2.0784 2.0784 4.0025 4.0025 4.8707 4.8707 4.9223 4.9223 5.2623 5.2623 5.4373 5.4373 5.6497 5.6497 9.1399 9.1399 9.2652 9.2652 11.2186 11.2186 11.4947 11.4947 k = 0.5381-0.0096-1.0540 ( 3632 PWs) bands (ev): -35.0621 -35.0621 -16.0618 -16.0618 -14.6709 -14.6709 -14.5849 -14.5849 -4.6657 -4.6657 -4.4199 -4.4199 -4.0845 -4.0845 -4.0583 -4.0583 -2.2683 -2.2683 -2.1791 -2.1791 -2.1299 -2.1299 2.0659 2.0659 3.9955 3.9955 4.9081 4.9081 4.9551 4.9551 5.2695 5.2695 5.4068 5.4068 5.6442 5.6442 9.1297 9.1297 9.2184 9.2184 11.2827 11.2827 11.5261 11.5261 k = 0.5317 0.0142-1.0540 ( 3634 PWs) bands (ev): -35.0622 -35.0622 -16.0617 -16.0617 -14.6715 -14.6715 -14.5837 -14.5837 -4.6691 -4.6691 -4.4170 -4.4170 -4.0837 -4.0837 -4.0614 -4.0614 -2.2701 -2.2701 -2.1789 -2.1789 -2.1293 -2.1293 2.0551 2.0551 3.9894 3.9894 4.9455 4.9455 4.9825 4.9825 5.2774 5.2774 5.3751 5.3751 5.6395 5.6395 9.1204 9.1204 9.1773 9.1773 11.3464 11.3464 11.5538 11.5538 k = 0.5254 0.0380-1.0540 ( 3636 PWs) bands (ev): -35.0622 -35.0622 -16.0616 -16.0616 -14.6720 -14.6720 -14.5827 -14.5827 -4.6720 -4.6720 -4.4146 -4.4146 -4.0826 -4.0826 -4.0643 -4.0643 -2.2716 -2.2716 -2.1788 -2.1788 -2.1288 -2.1288 2.0462 2.0462 3.9843 3.9843 4.9816 4.9816 5.0054 5.0054 5.2839 5.2839 5.3441 5.3441 5.6356 5.6356 9.1103 9.1103 9.1447 9.1447 11.4082 11.4082 11.5771 11.5771 k = 0.5190 0.0618-1.0540 ( 3636 PWs) bands (ev): -35.0622 -35.0622 -16.0615 -16.0615 -14.6724 -14.6724 -14.5819 -14.5819 -4.6742 -4.6742 -4.4127 -4.4127 -4.0813 -4.0813 -4.0671 -4.0671 -2.2728 -2.2728 -2.1786 -2.1786 -2.1284 -2.1284 2.0393 2.0393 3.9803 3.9803 5.0095 5.0095 5.0303 5.0303 5.2814 5.2814 5.3213 5.3213 5.6326 5.6326 9.0958 9.0958 9.1251 9.1251 11.4670 11.4670 11.5955 11.5955 k = 0.5127 0.0856-1.0540 ( 3646 PWs) bands (ev): -35.0622 -35.0622 -16.0615 -16.0615 -14.6726 -14.6726 -14.5813 -14.5813 -4.6758 -4.6758 -4.4114 -4.4114 -4.0798 -4.0798 -4.0696 -4.0696 -2.2736 -2.2736 -2.1786 -2.1786 -2.1281 -2.1281 2.0342 2.0342 3.9774 3.9774 5.0234 5.0234 5.0620 5.0620 5.2601 5.2601 5.3169 5.3169 5.6305 5.6305 9.0793 9.0793 9.1167 9.1167 11.5210 11.5210 11.6081 11.6081 k = 0.5063 0.1094-1.0540 ( 3642 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5810 -14.5810 -4.6768 -4.6768 -4.4105 -4.4105 -4.0784 -4.0784 -4.0717 -4.0717 -2.2741 -2.2741 -2.1785 -2.1785 -2.1280 -2.1280 2.0312 2.0312 3.9757 3.9757 5.0302 5.0302 5.0901 5.0901 5.2353 5.2353 5.3189 5.3189 5.6293 5.6293 9.0677 9.0677 9.1131 9.1131 11.5678 11.5678 11.6133 11.6133 k = 0.5000 0.1332-1.0540 ( 3638 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6771 -4.6771 -4.4103 -4.4103 -4.0777 -4.0777 -4.0726 -4.0726 -2.2743 -2.2743 -2.1785 -2.1785 -2.1279 -2.1279 2.0302 2.0302 3.9751 3.9751 5.0323 5.0323 5.1025 5.1025 5.2237 5.2237 5.3200 5.3200 5.6289 5.6289 9.0637 9.0637 9.1121 9.1121 11.5985 11.5985 11.6057 11.6057 k = 0.5000 0.1332-1.0540 ( 3638 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6771 -4.6771 -4.4103 -4.4103 -4.0777 -4.0777 -4.0726 -4.0726 -2.2743 -2.2743 -2.1785 -2.1785 -2.1279 -2.1279 2.0302 2.0302 3.9751 3.9751 5.0323 5.0323 5.1025 5.1025 5.2237 5.2237 5.3200 5.3200 5.6289 5.6289 9.0637 9.0637 9.1121 9.1121 11.5985 11.5985 11.6057 11.6057 k = 0.5198 0.1385-1.0440 ( 3646 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6769 -4.6769 -4.4103 -4.4103 -4.0873 -4.0873 -4.0634 -4.0634 -2.2743 -2.2743 -2.1785 -2.1785 -2.1279 -2.1279 2.0310 2.0310 3.9729 3.9729 5.0089 5.0089 5.1183 5.1183 5.2236 5.2236 5.3290 5.3290 5.6303 5.6303 9.0637 9.0637 9.1138 9.1138 11.5854 11.5854 11.6154 11.6154 k = 0.5396 0.1438-1.0339 ( 3646 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6761 -4.6761 -4.4103 -4.4103 -4.0993 -4.0993 -4.0525 -4.0525 -2.2743 -2.2743 -2.1785 -2.1785 -2.1277 -2.1277 2.0333 2.0333 3.9662 3.9662 4.9656 4.9656 5.1392 5.1392 5.2226 5.2226 5.3563 5.3563 5.6345 5.6345 9.0638 9.0638 9.1189 9.1189 11.5661 11.5661 11.6246 11.6246 k = 0.5595 0.1491-1.0238 ( 3638 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6727 -14.6727 -14.5808 -14.5808 -4.6748 -4.6748 -4.4103 -4.4103 -4.1117 -4.1117 -4.0419 -4.0419 -2.2742 -2.2742 -2.1784 -2.1784 -2.1275 -2.1275 2.0371 2.0371 3.9551 3.9551 4.9191 4.9191 5.1513 5.1513 5.2199 5.2199 5.3998 5.3998 5.6415 5.6415 9.0642 9.0642 9.1270 9.1270 11.5433 11.5433 11.6307 11.6307 k = 0.5793 0.1544-1.0137 ( 3638 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6727 -14.6727 -14.5808 -14.5808 -4.6730 -4.6730 -4.4103 -4.4103 -4.1244 -4.1244 -4.0318 -4.0318 -2.2742 -2.2742 -2.1784 -2.1784 -2.1271 -2.1271 2.0424 2.0424 3.9399 3.9399 4.8735 4.8735 5.1556 5.1556 5.2150 5.2150 5.4544 5.4544 5.6517 5.6517 9.0651 9.0651 9.1381 9.1381 11.5173 11.5173 11.6336 11.6336 k = 0.5991 0.1597-1.0037 ( 3633 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6726 -14.6726 -14.5808 -14.5808 -4.6707 -4.6707 -4.4103 -4.4103 -4.1373 -4.1373 -4.0222 -4.0222 -2.2741 -2.2741 -2.1784 -2.1784 -2.1267 -2.1267 2.0492 2.0492 3.9207 3.9207 4.8305 4.8305 5.1548 5.1548 5.2082 5.2082 5.5143 5.5143 5.6657 5.6657 9.0666 9.0666 9.1517 9.1517 11.4886 11.4886 11.6341 11.6341 k = 0.6189 0.1649-0.9936 ( 3637 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6725 -14.6725 -14.5808 -14.5808 -4.6680 -4.6680 -4.4103 -4.4103 -4.1504 -4.1504 -4.0131 -4.0131 -2.2740 -2.2740 -2.1783 -2.1783 -2.1262 -2.1262 2.0573 2.0573 3.8978 3.8978 4.7909 4.7909 5.1507 5.1507 5.2000 5.2000 5.5735 5.5735 5.6863 5.6863 9.0686 9.0686 9.1679 9.1679 11.4575 11.4575 11.6330 11.6330 k = 0.6388 0.1702-0.9835 ( 3634 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6724 -14.6724 -14.5808 -14.5808 -4.6648 -4.6648 -4.4103 -4.4103 -4.1636 -4.1636 -4.0045 -4.0045 -2.2740 -2.2740 -2.1783 -2.1783 -2.1256 -2.1256 2.0667 2.0667 3.8718 3.8718 4.7549 4.7549 5.1442 5.1442 5.1906 5.1906 5.6234 5.6234 5.7201 5.7201 9.0713 9.0713 9.1865 9.1865 11.4245 11.4245 11.6306 11.6306 k = 0.6586 0.1755-0.9735 ( 3636 PWs) bands (ev): -35.0623 -35.0623 -16.0611 -16.0611 -14.6722 -14.6722 -14.5808 -14.5808 -4.6612 -4.6612 -4.4103 -4.4103 -4.1768 -4.1768 -3.9965 -3.9965 -2.2739 -2.2739 -2.1782 -2.1782 -2.1250 -2.1250 2.0773 2.0773 3.8430 3.8430 4.7227 4.7227 5.1359 5.1359 5.1804 5.1804 5.6573 5.6573 5.7722 5.7722 9.0744 9.0744 9.2072 9.2072 11.3903 11.3903 11.6272 11.6272 k = 0.6586 0.1755-0.9735 ( 3636 PWs) bands (ev): -35.0623 -35.0623 -16.0611 -16.0611 -14.6722 -14.6722 -14.5808 -14.5808 -4.6612 -4.6612 -4.4103 -4.4103 -4.1768 -4.1768 -3.9965 -3.9965 -2.2739 -2.2739 -2.1782 -2.1782 -2.1250 -2.1250 2.0773 2.0773 3.8430 3.8430 4.7227 4.7227 5.1359 5.1359 5.1804 5.1804 5.6573 5.6573 5.7722 5.7722 9.0744 9.0744 9.2072 9.2072 11.3903 11.3903 11.6272 11.6272 k = 0.6549 0.1745-0.9489 ( 3638 PWs) bands (ev): -35.0624 -35.0624 -16.0607 -16.0607 -14.6715 -14.6715 -14.5808 -14.5808 -4.6612 -4.6612 -4.4104 -4.4104 -4.1785 -4.1785 -3.9996 -3.9996 -2.2739 -2.2739 -2.1784 -2.1784 -2.1259 -2.1259 2.0698 2.0698 3.8234 3.8234 4.7964 4.7964 5.1474 5.1474 5.1881 5.1881 5.6384 5.6384 5.7350 5.7350 9.0774 9.0774 9.2163 9.2163 11.3898 11.3898 11.6144 11.6144 k = 0.6512 0.1735-0.9244 ( 3643 PWs) bands (ev): -35.0625 -35.0625 -16.0603 -16.0603 -14.6706 -14.6706 -14.5807 -14.5807 -4.6611 -4.6611 -4.4106 -4.4106 -4.1811 -4.1811 -4.0039 -4.0039 -2.2740 -2.2740 -2.1787 -2.1787 -2.1272 -2.1272 2.0613 2.0613 3.8080 3.8080 4.8694 4.8694 5.1583 5.1583 5.1963 5.1963 5.6137 5.6137 5.7087 5.7087 9.0821 9.0821 9.2294 9.2294 11.3851 11.3851 11.5947 11.5947 k = 0.6475 0.1726-0.8999 ( 3645 PWs) bands (ev): -35.0626 -35.0626 -16.0597 -16.0597 -14.6694 -14.6694 -14.5806 -14.5806 -4.6608 -4.6608 -4.4109 -4.4109 -4.1844 -4.1844 -4.0095 -4.0095 -2.2740 -2.2740 -2.1791 -2.1791 -2.1287 -2.1287 2.0518 2.0518 3.7972 3.7972 4.9398 4.9398 5.1678 5.1678 5.2048 5.2048 5.5854 5.5854 5.6924 5.6924 9.0887 9.0887 9.2469 9.2469 11.3760 11.3760 11.5720 11.5720 k = 0.6438 0.1716-0.8754 ( 3645 PWs) bands (ev): -35.0627 -35.0627 -16.0590 -16.0590 -14.6680 -14.6680 -14.5805 -14.5805 -4.6604 -4.6604 -4.4111 -4.4111 -4.1883 -4.1883 -4.0165 -4.0165 -2.2740 -2.2740 -2.1795 -2.1795 -2.1304 -2.1304 2.0411 2.0411 3.7919 3.7919 5.0036 5.0036 5.1771 5.1771 5.2140 5.2140 5.5589 5.5589 5.6830 5.6830 9.0974 9.0974 9.2692 9.2692 11.3620 11.3620 11.5477 11.5477 k = 0.6401 0.1706-0.8509 ( 3645 PWs) bands (ev): -35.0629 -35.0629 -16.0581 -16.0581 -14.6663 -14.6663 -14.5803 -14.5803 -4.6599 -4.6599 -4.4114 -4.4114 -4.1930 -4.1930 -4.0246 -4.0246 -2.2740 -2.2740 -2.1801 -2.1801 -2.1324 -2.1324 2.0291 2.0291 3.7924 3.7924 5.0508 5.0508 5.1914 5.1914 5.2256 5.2256 5.5386 5.5386 5.6778 5.6778 9.1081 9.1081 9.2968 9.2968 11.3430 11.3430 11.5219 11.5219 k = 0.6365 0.1696-0.8264 ( 3645 PWs) bands (ev): -35.0631 -35.0631 -16.0572 -16.0572 -14.6644 -14.6644 -14.5801 -14.5801 -4.6592 -4.6592 -4.4118 -4.4118 -4.1983 -4.1983 -4.0338 -4.0338 -2.2741 -2.2741 -2.1808 -2.1808 -2.1347 -2.1347 2.0158 2.0158 3.7990 3.7990 5.0685 5.0685 5.2119 5.2119 5.2492 5.2492 5.5273 5.5273 5.6759 5.6759 9.1210 9.1210 9.3300 9.3300 11.3192 11.3192 11.4939 11.4939 k = 0.6328 0.1686-0.8019 ( 3643 PWs) bands (ev): -35.0633 -35.0633 -16.0561 -16.0561 -14.6624 -14.6624 -14.5799 -14.5799 -4.6586 -4.6586 -4.4122 -4.4122 -4.2041 -4.2041 -4.0441 -4.0441 -2.2741 -2.2741 -2.1816 -2.1816 -2.1371 -2.1371 2.0012 2.0012 3.8120 3.8120 5.0588 5.0588 5.2252 5.2252 5.2938 5.2938 5.5273 5.5273 5.6768 5.6768 9.1360 9.1360 9.3692 9.3692 11.2913 11.2913 11.4630 11.4630 k = 0.6291 0.1676-0.7774 ( 3638 PWs) bands (ev): -35.0635 -35.0635 -16.0550 -16.0550 -14.6601 -14.6601 -14.5796 -14.5796 -4.6579 -4.6579 -4.4126 -4.4126 -4.2105 -4.2105 -4.0553 -4.0553 -2.2742 -2.2742 -2.1825 -2.1825 -2.1397 -2.1397 1.9853 1.9853 3.8314 3.8314 5.0332 5.0332 5.2333 5.2333 5.3426 5.3426 5.5412 5.5412 5.6808 5.6808 9.1528 9.1528 9.4147 9.4147 11.2602 11.2602 11.4289 11.4289 k = 0.6254 0.1667-0.7528 ( 3640 PWs) bands (ev): -35.0637 -35.0637 -16.0538 -16.0538 -14.6577 -14.6577 -14.5793 -14.5793 -4.6573 -4.6573 -4.4131 -4.4131 -4.2175 -4.2175 -4.0672 -4.0672 -2.2743 -2.2743 -2.1835 -2.1835 -2.1425 -2.1425 1.9682 1.9682 3.8571 3.8571 4.9987 4.9987 5.2392 5.2392 5.3816 5.3816 5.5721 5.5721 5.6885 5.6885 9.1715 9.1715 9.4669 9.4669 11.2270 11.2270 11.3916 11.3916 k = 0.6217 0.1657-0.7283 ( 3645 PWs) bands (ev): -35.0640 -35.0640 -16.0524 -16.0524 -14.6552 -14.6552 -14.5789 -14.5789 -4.6568 -4.6568 -4.4136 -4.4136 -4.2250 -4.2250 -4.0799 -4.0799 -2.2744 -2.2744 -2.1846 -2.1846 -2.1455 -2.1455 1.9502 1.9502 3.8889 3.8889 4.9590 4.9590 5.2435 5.2435 5.4064 5.4064 5.6179 5.6179 5.7020 5.7020 9.1918 9.1918 9.5256 9.5256 11.1925 11.1925 11.3518 11.3518 k = 0.6180 0.1647-0.7038 ( 3646 PWs) bands (ev): -35.0642 -35.0642 -16.0510 -16.0510 -14.6525 -14.6525 -14.5784 -14.5784 -4.6564 -4.6564 -4.4142 -4.4142 -4.2330 -4.2330 -4.0931 -4.0931 -2.2746 -2.2746 -2.1858 -2.1858 -2.1485 -2.1485 1.9314 1.9314 3.9264 3.9264 4.9164 4.9164 5.2464 5.2464 5.4197 5.4197 5.6649 5.6649 5.7297 5.7297 9.2135 9.2135 9.5908 9.5908 11.1575 11.1575 11.3104 11.3104 k = 0.6143 0.1637-0.6793 ( 3649 PWs) bands (ev): -35.0645 -35.0645 -16.0496 -16.0496 -14.6497 -14.6497 -14.5778 -14.5778 -4.6563 -4.6563 -4.4149 -4.4149 -4.2414 -4.2414 -4.1066 -4.1066 -2.2748 -2.2748 -2.1870 -2.1870 -2.1517 -2.1517 1.9120 1.9120 3.9691 3.9691 4.8728 4.8728 5.2479 5.2479 5.4258 5.4258 5.6960 5.6960 5.7832 5.7832 9.2365 9.2365 9.6622 9.6622 11.1224 11.1224 11.2681 11.2681 k = 0.6106 0.1627-0.6548 ( 3647 PWs) bands (ev): -35.0648 -35.0648 -16.0480 -16.0480 -14.6469 -14.6469 -14.5771 -14.5771 -4.6564 -4.6564 -4.4156 -4.4156 -4.2504 -4.2504 -4.1203 -4.1203 -2.2750 -2.2750 -2.1883 -2.1883 -2.1550 -2.1550 1.8922 1.8922 4.0161 4.0161 4.8294 4.8294 5.2480 5.2480 5.4270 5.4270 5.7177 5.7177 5.8527 5.8527 9.2607 9.2607 9.7392 9.7392 11.0877 11.0877 11.2259 11.2259 k = 0.6070 0.1617-0.6303 ( 3647 PWs) bands (ev): -35.0651 -35.0651 -16.0464 -16.0464 -14.6440 -14.6440 -14.5762 -14.5762 -4.6568 -4.6568 -4.4163 -4.4163 -4.2598 -4.2598 -4.1341 -4.1341 -2.2753 -2.2753 -2.1897 -2.1897 -2.1582 -2.1582 1.8723 1.8723 4.0663 4.0663 4.7877 4.7877 5.2467 5.2467 5.4246 5.4246 5.7384 5.7384 5.9281 5.9281 9.2858 9.2858 9.8209 9.8209 11.0536 11.0536 11.1847 11.1847 k = 0.6033 0.1608-0.6058 ( 3648 PWs) bands (ev): -35.0655 -35.0655 -16.0448 -16.0448 -14.6411 -14.6411 -14.5753 -14.5753 -4.6576 -4.6576 -4.4172 -4.4172 -4.2696 -4.2696 -4.1477 -4.1477 -2.2757 -2.2757 -2.1912 -2.1912 -2.1615 -2.1615 1.8525 1.8525 4.1181 4.1181 4.7495 4.7495 5.2441 5.2441 5.4192 5.4192 5.7602 5.7602 6.0060 6.0060 9.3119 9.3119 9.9062 9.9062 11.0198 11.0198 11.1457 11.1457 k = 0.5996 0.1598-0.5813 ( 3646 PWs) bands (ev): -35.0658 -35.0658 -16.0431 -16.0431 -14.6382 -14.6382 -14.5741 -14.5741 -4.6588 -4.6588 -4.4181 -4.4181 -4.2798 -4.2798 -4.1610 -4.1610 -2.2762 -2.2762 -2.1926 -2.1926 -2.1648 -2.1648 1.8331 1.8331 4.1688 4.1688 4.7175 4.7175 5.2404 5.2404 5.4113 5.4113 5.7836 5.7836 6.0851 6.0851 9.3387 9.3387 9.9935 9.9935 10.9858 10.9858 11.1103 11.1103 k = 0.5959 0.1588-0.5567 ( 3652 PWs) bands (ev): -35.0661 -35.0661 -16.0415 -16.0415 -14.6355 -14.6355 -14.5728 -14.5728 -4.6606 -4.6606 -4.4191 -4.4191 -4.2903 -4.2903 -4.1740 -4.1740 -2.2768 -2.2768 -2.1941 -2.1941 -2.1681 -2.1681 1.8141 1.8141 4.2143 4.2143 4.6955 4.6955 5.2356 5.2356 5.4014 5.4014 5.8088 5.8088 6.1648 6.1648 9.3662 9.3662 10.0808 10.0808 10.9506 10.9506 11.0805 11.0805 k = 0.5922 0.1578-0.5322 ( 3650 PWs) bands (ev): -35.0665 -35.0665 -16.0397 -16.0397 -14.6328 -14.6328 -14.5714 -14.5714 -4.6629 -4.6629 -4.4201 -4.4201 -4.3010 -4.3010 -4.1865 -4.1865 -2.2774 -2.2774 -2.1956 -2.1956 -2.1713 -2.1713 1.7957 1.7957 4.2491 4.2491 4.6892 4.6892 5.2299 5.2299 5.3896 5.3896 5.8357 5.8357 6.2447 6.2447 9.3941 9.3941 10.1656 10.1656 10.9132 10.9132 11.0576 11.0576 k = 0.5885 0.1568-0.5077 ( 3649 PWs) bands (ev): -35.0668 -35.0668 -16.0380 -16.0380 -14.6302 -14.6302 -14.5697 -14.5697 -4.6658 -4.6658 -4.4213 -4.4213 -4.3118 -4.3118 -4.1984 -4.1984 -2.2782 -2.2782 -2.1971 -2.1971 -2.1743 -2.1743 1.7782 1.7782 4.2673 4.2673 4.7039 4.7039 5.2234 5.2234 5.3764 5.3764 5.8642 5.8642 6.3246 6.3246 9.4225 9.4225 10.2451 10.2451 10.8733 10.8733 11.0424 11.0424 k = 0.5848 0.1558-0.4832 ( 3647 PWs) bands (ev): -35.0672 -35.0672 -16.0363 -16.0363 -14.6278 -14.6278 -14.5678 -14.5678 -4.6694 -4.6694 -4.4225 -4.4225 -4.3226 -4.3226 -4.2097 -4.2097 -2.2791 -2.2791 -2.1986 -2.1986 -2.1773 -2.1773 1.7615 1.7615 4.2673 4.2673 4.7414 4.7414 5.2163 5.2163 5.3621 5.3621 5.8940 5.8940 6.4040 6.4040 9.4512 9.4512 10.3162 10.3162 10.8309 10.8309 11.0335 11.0335 k = 0.5811 0.1549-0.4587 ( 3652 PWs) bands (ev): -35.0675 -35.0675 -16.0346 -16.0346 -14.6255 -14.6255 -14.5657 -14.5657 -4.6737 -4.6737 -4.4238 -4.4238 -4.3333 -4.3333 -4.2203 -4.2203 -2.2801 -2.2801 -2.2000 -2.2000 -2.1801 -2.1801 1.7458 1.7458 4.2520 4.2520 4.7981 4.7981 5.2086 5.2086 5.3469 5.3469 5.9250 5.9250 6.4829 6.4829 9.4800 9.4800 10.3763 10.3763 10.7867 10.7867 11.0278 11.0278 k = 0.5774 0.1539-0.4342 ( 3654 PWs) bands (ev): -35.0679 -35.0679 -16.0329 -16.0329 -14.6235 -14.6235 -14.5634 -14.5634 -4.6787 -4.6787 -4.4251 -4.4251 -4.3437 -4.3437 -4.2302 -4.2302 -2.2812 -2.2812 -2.2015 -2.2015 -2.1827 -2.1827 1.7312 1.7312 4.2267 4.2267 4.8685 4.8685 5.2005 5.2005 5.3312 5.3312 5.9570 5.9570 6.5610 6.5610 9.5090 9.5090 10.4240 10.4240 10.7410 10.7410 11.0204 11.0204 k = 0.5738 0.1529-0.4097 ( 3653 PWs) bands (ev): -35.0682 -35.0682 -16.0312 -16.0312 -14.6216 -14.6216 -14.5609 -14.5609 -4.6844 -4.6844 -4.4265 -4.4265 -4.3538 -4.3538 -4.2395 -4.2395 -2.2824 -2.2824 -2.2030 -2.2030 -2.1851 -2.1851 1.7177 1.7177 4.1955 4.1955 4.9480 4.9480 5.1922 5.1922 5.3156 5.3156 5.9898 5.9898 6.6381 6.6381 9.5379 9.5379 10.4597 10.4597 10.6944 10.6944 11.0063 11.0063 k = 0.5701 0.1519-0.3852 ( 3642 PWs) bands (ev): -35.0686 -35.0686 -16.0295 -16.0295 -14.6199 -14.6199 -14.5582 -14.5582 -4.6908 -4.6908 -4.4280 -4.4280 -4.3633 -4.3633 -4.2481 -4.2481 -2.2836 -2.2836 -2.2045 -2.2045 -2.1872 -2.1872 1.7052 1.7052 4.1610 4.1610 5.0327 5.0327 5.1840 5.1840 5.3009 5.3009 6.0232 6.0232 6.7140 6.7140 9.5668 9.5668 10.4846 10.4846 10.6476 10.6476 10.9820 10.9820 k = 0.5664 0.1509-0.3606 ( 3638 PWs) bands (ev): -35.0689 -35.0689 -16.0279 -16.0279 -14.6185 -14.6185 -14.5554 -14.5554 -4.6979 -4.6979 -4.4295 -4.4295 -4.3724 -4.3724 -4.2560 -4.2560 -2.2850 -2.2850 -2.2060 -2.2060 -2.1891 -2.1891 1.6940 1.6940 4.1252 4.1252 5.1167 5.1167 5.1776 5.1776 5.2895 5.2895 6.0571 6.0571 6.7884 6.7884 9.5955 9.5955 10.4998 10.4998 10.6018 10.6018 10.9469 10.9469 k = 0.5627 0.1499-0.3361 ( 3636 PWs) bands (ev): -35.0692 -35.0692 -16.0263 -16.0263 -14.6172 -14.6172 -14.5525 -14.5525 -4.7055 -4.7055 -4.4310 -4.4310 -4.3808 -4.3808 -4.2633 -4.2633 -2.2864 -2.2864 -2.2075 -2.2075 -2.1907 -2.1907 1.6838 1.6838 4.0889 4.0889 5.1587 5.1587 5.2005 5.2005 5.2941 5.2941 6.0912 6.0912 6.8611 6.8611 9.6239 9.6239 10.5024 10.5024 10.5623 10.5623 10.9020 10.9020 k = 0.5590 0.1490-0.3116 ( 3633 PWs) bands (ev): -35.0695 -35.0695 -16.0248 -16.0248 -14.6160 -14.6160 -14.5496 -14.5496 -4.7137 -4.7137 -4.4325 -4.4325 -4.3887 -4.3887 -4.2700 -4.2700 -2.2879 -2.2879 -2.2090 -2.2090 -2.1921 -2.1921 1.6747 1.6747 4.0529 4.0529 5.1532 5.1532 5.2213 5.2213 5.3508 5.3508 6.1253 6.1253 6.9320 6.9320 9.6521 9.6521 10.4794 10.4794 10.5434 10.5434 10.8494 10.8494 k = 0.5553 0.1480-0.2871 ( 3636 PWs) bands (ev): -35.0698 -35.0698 -16.0234 -16.0234 -14.6150 -14.6150 -14.5466 -14.5466 -4.7221 -4.7221 -4.4340 -4.4340 -4.3959 -4.3959 -4.2761 -4.2761 -2.2895 -2.2895 -2.2106 -2.2106 -2.1932 -2.1932 1.6666 1.6666 4.0178 4.0178 5.1448 5.1448 5.2144 5.2144 5.4398 5.4398 6.1592 6.1592 7.0006 7.0006 9.6799 9.6799 10.4375 10.4375 10.5392 10.5392 10.7915 10.7915 k = 0.5516 0.1470-0.2626 ( 3628 PWs) bands (ev): -35.0701 -35.0701 -16.0220 -16.0220 -14.6142 -14.6142 -14.5436 -14.5436 -4.7309 -4.7309 -4.4355 -4.4355 -4.4026 -4.4026 -4.2816 -4.2816 -2.2910 -2.2910 -2.2121 -2.2121 -2.1941 -2.1941 1.6595 1.6595 3.9839 3.9839 5.1362 5.1362 5.2020 5.2020 5.5359 5.5359 6.1927 6.1927 7.0669 7.0669 9.7073 9.7073 10.3912 10.3912 10.5340 10.5340 10.7320 10.7320 k = 0.5479 0.1460-0.2381 ( 3632 PWs) bands (ev): -35.0704 -35.0704 -16.0207 -16.0207 -14.6134 -14.6134 -14.5407 -14.5407 -4.7397 -4.7397 -4.4369 -4.4369 -4.4087 -4.4087 -4.2866 -4.2866 -2.2925 -2.2925 -2.2137 -2.2137 -2.1947 -2.1947 1.6534 1.6534 3.9514 3.9514 5.1275 5.1275 5.1886 5.1886 5.6337 5.6337 6.2255 6.2255 7.1304 7.1304 9.7342 9.7342 10.3444 10.3444 10.5195 10.5195 10.6778 10.6778 k = 0.5443 0.1450-0.2136 ( 3626 PWs) bands (ev): -35.0707 -35.0707 -16.0194 -16.0194 -14.6128 -14.6128 -14.5378 -14.5378 -4.7485 -4.7485 -4.4382 -4.4382 -4.4142 -4.4142 -4.2911 -4.2911 -2.2940 -2.2940 -2.2151 -2.2151 -2.1952 -2.1952 1.6481 1.6481 3.9207 3.9207 5.1190 5.1190 5.1754 5.1754 5.7311 5.7311 6.2574 6.2574 7.1911 7.1911 9.7603 9.7603 10.2982 10.2982 10.4863 10.4863 10.6390 10.6390 k = 0.5406 0.1441-0.1891 ( 3630 PWs) bands (ev): -35.0709 -35.0709 -16.0183 -16.0183 -14.6122 -14.6122 -14.5351 -14.5351 -4.7571 -4.7571 -4.4394 -4.4394 -4.4193 -4.4193 -4.2951 -4.2951 -2.2955 -2.2955 -2.2165 -2.2165 -2.1956 -2.1956 1.6436 1.6436 3.8918 3.8918 5.1106 5.1106 5.1628 5.1628 5.8271 5.8271 6.2882 6.2882 7.2485 7.2485 9.7855 9.7855 10.2531 10.2531 10.4322 10.4322 10.6191 10.6191 k = 0.5369 0.1431-0.1646 ( 3632 PWs) bands (ev): -35.0712 -35.0712 -16.0172 -16.0172 -14.6117 -14.6117 -14.5324 -14.5324 -4.7655 -4.7655 -4.4405 -4.4405 -4.4239 -4.4239 -4.2986 -4.2986 -2.2969 -2.2969 -2.2178 -2.2178 -2.1958 -2.1958 1.6399 1.6399 3.8650 3.8650 5.1026 5.1026 5.1511 5.1511 5.9204 5.9204 6.3176 6.3176 7.3023 7.3023 9.8095 9.8095 10.2096 10.2096 10.3662 10.3662 10.6109 10.6109 k = 0.5332 0.1421-0.1400 ( 3632 PWs) bands (ev): -35.0714 -35.0714 -16.0162 -16.0162 -14.6113 -14.6113 -14.5300 -14.5300 -4.7734 -4.7734 -4.4416 -4.4416 -4.4280 -4.4280 -4.3016 -4.3016 -2.2983 -2.2983 -2.2191 -2.2191 -2.1960 -2.1960 1.6367 1.6367 3.8403 3.8403 5.0949 5.0949 5.1404 5.1404 6.0101 6.0101 6.3455 6.3455 7.3524 7.3524 9.8319 9.8319 10.1677 10.1677 10.2967 10.2967 10.6076 10.6076 k = 0.5295 0.1411-0.1155 ( 3633 PWs) bands (ev): -35.0716 -35.0716 -16.0153 -16.0153 -14.6110 -14.6110 -14.5278 -14.5278 -4.7808 -4.7808 -4.4425 -4.4425 -4.4317 -4.4317 -4.3043 -4.3043 -2.2995 -2.2995 -2.2202 -2.2202 -2.1960 -2.1960 1.6342 1.6342 3.8179 3.8179 5.0877 5.0877 5.1309 5.1309 6.0949 6.0949 6.3715 6.3715 7.3983 7.3983 9.8518 9.8518 10.1275 10.1275 10.2292 10.2292 10.6063 10.6063 k = 0.5258 0.1401-0.0910 ( 3630 PWs) bands (ev): -35.0718 -35.0718 -16.0145 -16.0145 -14.6107 -14.6107 -14.5257 -14.5257 -4.7876 -4.7876 -4.4432 -4.4432 -4.4350 -4.4350 -4.3066 -4.3066 -2.3006 -2.3006 -2.2212 -2.2212 -2.1961 -2.1961 1.6321 1.6321 3.7980 3.7980 5.0809 5.0809 5.1225 5.1225 6.1736 6.1736 6.3957 6.3957 7.4399 7.4399 9.8681 9.8681 10.0888 10.0888 10.1680 10.1680 10.6058 10.6058 k = 0.5221 0.1391-0.0665 ( 3630 PWs) bands (ev): -35.0719 -35.0719 -16.0138 -16.0138 -14.6105 -14.6105 -14.5239 -14.5239 -4.7937 -4.7937 -4.4439 -4.4439 -4.4378 -4.4378 -4.3085 -4.3085 -2.3016 -2.3016 -2.2220 -2.2220 -2.1961 -2.1961 1.6305 1.6305 3.7805 3.7805 5.0748 5.0748 5.1153 5.1153 6.2448 6.2448 6.4179 6.4179 7.4767 7.4767 9.8784 9.8784 10.0519 10.0519 10.1172 10.1172 10.6055 10.6055 k = 0.5184 0.1382-0.0420 ( 3632 PWs) bands (ev): -35.0720 -35.0720 -16.0133 -16.0133 -14.6103 -14.6103 -14.5223 -14.5223 -4.7989 -4.7989 -4.4445 -4.4445 -4.4402 -4.4402 -4.3101 -4.3101 -2.3025 -2.3025 -2.2228 -2.2228 -2.1960 -2.1960 1.6293 1.6293 3.7656 3.7656 5.0694 5.0694 5.1093 5.1093 6.3069 6.3069 6.4382 6.4382 7.5085 7.5085 9.8790 9.8790 10.0210 10.0210 10.0783 10.0783 10.6053 10.6053 k = 0.5148 0.1372-0.0175 ( 3637 PWs) bands (ev): -35.0722 -35.0722 -16.0128 -16.0128 -14.6101 -14.6101 -14.5211 -14.5211 -4.8033 -4.8033 -4.4449 -4.4449 -4.4422 -4.4422 -4.3114 -4.3114 -2.3032 -2.3032 -2.2234 -2.2234 -2.1960 -2.1960 1.6283 1.6283 3.7533 3.7533 5.0648 5.0648 5.1044 5.1044 6.3580 6.3580 6.4571 6.4571 7.5351 7.5351 9.8669 9.8669 10.0025 10.0025 10.0497 10.0497 10.6049 10.6049 k = 0.5111 0.1362 0.0070 ( 3648 PWs) bands (ev): -35.0722 -35.0722 -16.0124 -16.0124 -14.6100 -14.6100 -14.5200 -14.5200 -4.8068 -4.8068 -4.4453 -4.4453 -4.4437 -4.4437 -4.3123 -4.3123 -2.3038 -2.3038 -2.2239 -2.2239 -2.1959 -2.1959 1.6276 1.6276 3.7437 3.7437 5.0611 5.0611 5.1006 5.1006 6.3963 6.3963 6.4748 6.4748 7.5561 7.5561 9.8463 9.8463 9.9957 9.9957 10.0292 10.0292 10.6046 10.6046 k = 0.5074 0.1352 0.0315 ( 3646 PWs) bands (ev): -35.0723 -35.0723 -16.0121 -16.0121 -14.6099 -14.6099 -14.5193 -14.5193 -4.8093 -4.8093 -4.4456 -4.4456 -4.4448 -4.4448 -4.3130 -4.3130 -2.3042 -2.3042 -2.2242 -2.2242 -2.1959 -2.1959 1.6272 1.6272 3.7368 3.7368 5.0584 5.0584 5.0980 5.0980 6.4215 6.4215 6.4907 6.4907 7.5713 7.5713 9.8258 9.8258 9.9943 9.9943 10.0158 10.0158 10.6043 10.6043 k = 0.5037 0.1342 0.0561 ( 3643 PWs) bands (ev): -35.0723 -35.0723 -16.0120 -16.0120 -14.6099 -14.6099 -14.5189 -14.5189 -4.8108 -4.8108 -4.4457 -4.4457 -4.4454 -4.4454 -4.3134 -4.3134 -2.3044 -2.3044 -2.2244 -2.2244 -2.1959 -2.1959 1.6269 1.6269 3.7326 3.7326 5.0568 5.0568 5.0964 5.0964 6.4350 6.4350 6.5022 6.5022 7.5805 7.5805 9.8116 9.8116 9.9935 9.9935 10.0092 10.0092 10.6041 10.6041 k = 0.5000 0.1332 0.0806 ( 3636 PWs) bands (ev): -35.0723 -35.0723 -16.0119 -16.0119 -14.6099 -14.6099 -14.5187 -14.5187 -4.8113 -4.8113 -4.4458 -4.4458 -4.4456 -4.4456 -4.3135 -4.3135 -2.3045 -2.3045 -2.2245 -2.2245 -2.1959 -2.1959 1.6268 1.6268 3.7312 3.7312 5.0562 5.0562 5.0959 5.0959 6.4391 6.4391 6.5065 6.5065 7.5835 7.5835 9.8066 9.8066 9.9929 9.9929 10.0076 10.0076 10.6040 10.6040 k = 0.5000-0.8715-0.5270 ( 3642 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6729 -14.6729 -14.5809 -14.5809 -4.5901 -4.5901 -4.4087 -4.4087 -4.3248 -4.3248 -3.9267 -3.9267 -2.2724 -2.2724 -2.1773 -2.1773 -2.1114 -2.1114 2.3520 2.3520 3.3906 3.3906 4.3558 4.3558 4.9689 4.9689 5.0346 5.0346 5.8705 5.8705 6.7152 6.7152 9.0972 9.0972 9.4712 9.4712 10.9722 10.9722 11.4276 11.4276 k = 0.5211-0.8626-0.5216 ( 3644 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6729 -14.6729 -14.5809 -14.5809 -4.5908 -4.5908 -4.4087 -4.4087 -4.3238 -4.3238 -3.9270 -3.9270 -2.2725 -2.2725 -2.1774 -2.1774 -2.1115 -2.1115 2.3493 2.3493 3.3949 3.3949 4.3565 4.3565 4.9700 4.9700 5.0354 5.0354 5.8693 5.8693 6.7097 6.7097 9.0971 9.0971 9.4695 9.4695 10.9746 10.9746 11.4297 11.4297 k = 0.5423-0.8538-0.5163 ( 3652 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6729 -14.6729 -14.5809 -14.5809 -4.5927 -4.5927 -4.4088 -4.4088 -4.3207 -4.3207 -3.9279 -3.9279 -2.2725 -2.2725 -2.1774 -2.1774 -2.1118 -2.1118 2.3413 2.3413 3.4077 3.4077 4.3587 4.3587 4.9732 4.9732 5.0377 5.0377 5.8659 5.8659 6.6931 6.6931 9.0969 9.0969 9.4644 9.4644 10.9818 10.9818 11.4357 11.4357 k = 0.5634-0.8449-0.5109 ( 3645 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.5958 -4.5958 -4.4089 -4.4089 -4.3157 -4.3157 -3.9295 -3.9295 -2.2725 -2.2725 -2.1774 -2.1774 -2.1122 -2.1122 2.3287 2.3287 3.4281 3.4281 4.3625 4.3625 4.9786 4.9786 5.0415 5.0415 5.8603 5.8603 6.6658 6.6658 9.0964 9.0964 9.4558 9.4558 10.9937 10.9937 11.4456 11.4456 k = 0.5846-0.8360-0.5055 ( 3645 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.5999 -4.5999 -4.4091 -4.4091 -4.3089 -4.3089 -3.9316 -3.9316 -2.2726 -2.2726 -2.1774 -2.1774 -2.1128 -2.1128 2.3121 2.3121 3.4553 3.4553 4.3683 4.3683 4.9858 4.9858 5.0469 5.0469 5.8526 5.8526 6.6282 6.6282 9.0958 9.0958 9.4441 9.4441 11.0103 11.0103 11.4588 11.4588 k = 0.6057-0.8271-0.5002 ( 3646 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6048 -4.6048 -4.4093 -4.4093 -4.3006 -4.3006 -3.9344 -3.9344 -2.2727 -2.2727 -2.1775 -2.1775 -2.1136 -2.1136 2.2924 2.2924 3.4881 3.4881 4.3765 4.3765 4.9949 4.9949 5.0537 5.0537 5.8428 5.8428 6.5810 6.5810 9.0949 9.0949 9.4295 9.4295 11.0312 11.0312 11.4750 11.4750 k = 0.6269-0.8182-0.4948 ( 3649 PWs) bands (ev): -35.0623 -35.0623 -16.0614 -16.0614 -14.6728 -14.6728 -14.5809 -14.5809 -4.6103 -4.6103 -4.4094 -4.4094 -4.2911 -4.2911 -3.9378 -3.9378 -2.2728 -2.2728 -2.1775 -2.1775 -2.1144 -2.1144 2.2704 2.2704 3.5251 3.5251 4.3876 4.3876 5.0055 5.0055 5.0619 5.0619 5.8311 5.8311 6.5249 6.5249 9.0938 9.0938 9.4121 9.4121 11.0563 11.0563 11.4935 11.4935 k = 0.6480-0.8094-0.4894 ( 3655 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6727 -14.6727 -14.5809 -14.5809 -4.6163 -4.6163 -4.4096 -4.4096 -4.2805 -4.2805 -3.9419 -3.9419 -2.2729 -2.2729 -2.1776 -2.1776 -2.1155 -2.1155 2.2470 2.2470 3.5648 3.5648 4.4023 4.4023 5.0176 5.0176 5.0715 5.0715 5.8177 5.8177 6.4607 6.4607 9.0924 9.0924 9.3924 9.3924 11.0852 11.0852 11.5134 11.5134 k = 0.6692-0.8005-0.4840 ( 3654 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6727 -14.6727 -14.5809 -14.5809 -4.6224 -4.6224 -4.4097 -4.4097 -4.2690 -4.2690 -3.9465 -3.9465 -2.2730 -2.2730 -2.1777 -2.1777 -2.1166 -2.1166 2.2230 2.2230 3.6060 3.6060 4.4213 4.4213 5.0307 5.0307 5.0823 5.0823 5.8026 5.8026 6.3893 6.3893 9.0908 9.0908 9.3708 9.3708 11.1176 11.1176 11.5339 11.5339 k = 0.6903-0.7916-0.4787 ( 3654 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6726 -14.6726 -14.5809 -14.5809 -4.6286 -4.6286 -4.4099 -4.4099 -4.2568 -4.2568 -3.9518 -3.9518 -2.2731 -2.2731 -2.1777 -2.1777 -2.1178 -2.1178 2.1989 2.1989 3.6472 3.6472 4.4453 4.4453 5.0448 5.0448 5.0943 5.0943 5.7861 5.7861 6.3115 6.3115 9.0889 9.0889 9.3478 9.3478 11.1529 11.1529 11.5541 11.5541 k = 0.7114-0.7827-0.4733 ( 3656 PWs) bands (ev): -35.0623 -35.0623 -16.0613 -16.0613 -14.6726 -14.6726 -14.5809 -14.5809 -4.6348 -4.6348 -4.4100 -4.4100 -4.2441 -4.2441 -3.9577 -3.9577 -2.2733 -2.2733 -2.1778 -2.1778 -2.1190 -2.1190 2.1752 2.1752 3.6872 3.6872 4.4752 4.4752 5.0596 5.0596 5.1073 5.1073 5.7684 5.7684 6.2282 6.2282 9.0869 9.0869 9.3237 9.3237 11.1905 11.1905 11.5729 11.5729 k = 0.7326-0.7738-0.4679 ( 3651 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6725 -14.6725 -14.5808 -14.5808 -4.6408 -4.6408 -4.4101 -4.4101 -4.2310 -4.2310 -3.9642 -3.9642 -2.2734 -2.2734 -2.1779 -2.1779 -2.1202 -2.1202 2.1526 2.1526 3.7250 3.7250 4.5115 4.5115 5.0747 5.0747 5.1211 5.1211 5.7496 5.7496 6.1404 6.1404 9.0846 9.0846 9.2993 9.2993 11.2300 11.2300 11.5899 11.5899 k = 0.7537-0.7649-0.4626 ( 3646 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6724 -14.6724 -14.5808 -14.5808 -4.6465 -4.6465 -4.4101 -4.4101 -4.2176 -4.2176 -3.9714 -3.9714 -2.2735 -2.2735 -2.1780 -2.1780 -2.1215 -2.1215 2.1312 2.1312 3.7598 3.7598 4.5545 4.5545 5.0901 5.0901 5.1357 5.1357 5.7299 5.7299 6.0491 6.0491 9.0822 9.0822 9.2749 9.2749 11.2705 11.2705 11.6043 11.6043 k = 0.7749-0.7561-0.4572 ( 3645 PWs) bands (ev): -35.0623 -35.0623 -16.0612 -16.0612 -14.6724 -14.6724 -14.5808 -14.5808 -4.6518 -4.6518 -4.4102 -4.4102 -4.2040 -4.2040 -3.9792 -3.9792 -2.2736 -2.2736 -2.1781 -2.1781 -2.1227 -2.1227 2.1113 2.1113 3.7911 3.7911 4.6044 4.6044 5.1055 5.1055 5.1506 5.1506 5.7090 5.7090 5.9553 5.9553 9.0797 9.0797 9.2511 9.2511 11.3113 11.3113 11.6157 11.6157 k = 0.7960-0.7472-0.4518 ( 3641 PWs) bands (ev): -35.0623 -35.0623 -16.0611 -16.0611 -14.6723 -14.6723 -14.5808 -14.5808 -4.6567 -4.6567 -4.4102 -4.4102 -4.1904 -4.1904 -3.9875 -3.9875 -2.2738 -2.2738 -2.1782 -2.1782 -2.1239 -2.1239 2.0933 2.0933 3.8188 3.8188 4.6607 4.6607 5.1208 5.1208 5.1656 5.1656 5.6863 5.6863 5.8612 5.8612 9.0771 9.0771 9.2284 9.2284 11.3515 11.3515 11.6236 11.6236 k = 0.8172-0.7383-0.4464 ( 3636 PWs) bands (ev): -35.0623 -35.0623 -16.0611 -16.0611 -14.6722 -14.6722 -14.5808 -14.5808 -4.6612 -4.6612 -4.4103 -4.4103 -4.1768 -4.1768 -3.9965 -3.9965 -2.2739 -2.2739 -2.1782 -2.1782 -2.1250 -2.1250 2.0773 2.0773 3.8430 3.8430 4.7227 4.7227 5.1359 5.1359 5.1804 5.1804 5.6573 5.6573 5.7722 5.7722 9.0744 9.0744 9.2072 9.2072 11.3903 11.3903 11.6272 11.6272 Writing output data file YTlS2.save init_run : 0.52s CPU 0.65s WALL ( 1 calls) electrons : 177.46s CPU 180.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 177.46s CPU 180.13s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 300 calls) cegterg : 159.13s CPU 160.53s WALL ( 424 calls) Called by sum_band: Called by *egterg: h_psi : 126.14s CPU 127.28s WALL ( 6675 calls) s_psi : 3.84s CPU 3.84s WALL ( 6675 calls) g_psi : 0.12s CPU 0.15s WALL ( 5951 calls) cdiaghg : 35.20s CPU 35.58s WALL ( 6251 calls) cegterg:over : 3.48s CPU 3.57s WALL ( 5951 calls) cegterg:upda : 3.10s CPU 3.16s WALL ( 5951 calls) cegterg:last : 1.46s CPU 1.52s WALL ( 1024 calls) cdiaghg:chol : 2.04s CPU 2.00s WALL ( 6251 calls) cdiaghg:inve : 1.04s CPU 1.16s WALL ( 6251 calls) cdiaghg:para : 1.93s CPU 2.05s WALL ( 12502 calls) Called by h_psi: h_psi:vloc : 117.66s CPU 118.79s WALL ( 6675 calls) h_psi:vnl : 8.33s CPU 8.36s WALL ( 6675 calls) add_vuspsi : 4.38s CPU 4.43s WALL ( 6675 calls) General routines calbec : 3.92s CPU 3.92s WALL ( 6675 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.64s CPU 109.87s WALL ( 599188 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.37s WALL ( 600 calls) Parallel routines fft_scatter : 25.00s CPU 25.14s WALL ( 599211 calls) PWSCF : 3m11.00s CPU 4m16.71s WALL This run was terminated on: 21:20:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=