Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:25:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba2CuBrO2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 108 66 19 2874 1374 213 Max 109 67 20 2875 1407 216 Sum 3897 2407 685 103469 50195 7737 bravais-lattice index = 14 lattice parameter (alat) = 19.1096 a.u. unit-cell volume = 1050.2546 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.109608 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.910390 celldm(5)= 0.910390 celldm(6)= 0.910390 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.910390 0.413750 0.000000 ) a(3) = ( 0.910390 0.197171 0.363748 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.200338 -1.310101 ) b(2) = ( 0.000000 2.416916 -1.310101 ) b(3) = ( 0.000000 0.000000 2.749154 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 O 6.00 15.99940 O( 1.00) Ba 10.00 137.32700 Ba( 1.00) Br 7.00 79.90400 Br( 1.00) Cu 11.00 63.54600 Cu( 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= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0116279 -0.0255853 -0.0152337), wk = 0.0036101 k( 3) = ( 0.0232558 -0.0511706 -0.0304675), wk = 0.0036101 k( 4) = ( 0.0348837 -0.0767560 -0.0457012), wk = 0.0036101 k( 5) = ( 0.0465116 -0.1023413 -0.0609349), wk = 0.0036101 k( 6) = ( 0.0581395 -0.1279266 -0.0761686), wk = 0.0036101 k( 7) = ( 0.0697674 -0.1535119 -0.0914024), wk = 0.0036101 k( 8) = ( 0.0813954 -0.1790972 -0.1066361), wk = 0.0036101 k( 9) = ( 0.0930233 -0.2046826 -0.1218698), wk = 0.0036101 k( 10) = ( 0.1046512 -0.2302679 -0.1371035), wk = 0.0036101 k( 11) = ( 0.1162791 -0.2558532 -0.1523373), wk = 0.0036101 k( 12) = ( 0.1279070 -0.2814385 -0.1675710), wk = 0.0036101 k( 13) = ( 0.1395349 -0.3070238 -0.1828047), wk = 0.0036101 k( 14) = ( 0.1511628 -0.3326092 -0.1980385), wk = 0.0036101 k( 15) = ( 0.1627907 -0.3581945 -0.2132722), wk = 0.0036101 k( 16) = ( 0.1744186 -0.3837798 -0.2285059), wk = 0.0036101 k( 17) = ( 0.1860465 -0.4093651 -0.2437396), wk = 0.0036101 k( 18) = ( 0.1976744 -0.4349504 -0.2589734), wk = 0.0036101 k( 19) = ( 0.2093023 -0.4605358 -0.2742071), wk = 0.0036101 k( 20) = ( 0.2209302 -0.4861211 -0.2894408), wk = 0.0036101 k( 21) = ( 0.2325581 -0.5117064 -0.3046746), wk = 0.0036101 k( 22) = ( 0.2441860 -0.5372917 -0.3199083), wk = 0.0036101 k( 23) = ( 0.2558140 -0.5628770 -0.3351420), wk = 0.0036101 k( 24) = ( 0.2674419 -0.5884624 -0.3503757), wk = 0.0036101 k( 25) = ( 0.2790698 -0.6140477 -0.3656095), wk = 0.0036101 k( 26) = ( 0.2906977 -0.6396330 -0.3808432), wk = 0.0036101 k( 27) = ( 0.3023256 -0.6652183 -0.3960769), wk = 0.0036101 k( 28) = ( 0.3139535 -0.6908037 -0.4113107), wk = 0.0036101 k( 29) = ( 0.3255814 -0.7163890 -0.4265444), wk = 0.0036101 k( 30) = ( 0.3372093 -0.7419743 -0.4417781), wk = 0.0036101 k( 31) = ( 0.3488372 -0.7675596 -0.4570118), wk = 0.0036101 k( 32) = ( 0.3604651 -0.7931449 -0.4722456), wk = 0.0036101 k( 33) = ( 0.3720930 -0.8187302 -0.4874793), wk = 0.0036101 k( 34) = ( 0.3837209 -0.8443156 -0.5027130), wk = 0.0036101 k( 35) = ( 0.3953488 -0.8699009 -0.5179467), wk = 0.0036101 k( 36) = ( 0.4069767 -0.8954862 -0.5331805), wk = 0.0036101 k( 37) = ( 0.4186047 -0.9210715 -0.5484142), wk = 0.0036101 k( 38) = ( 0.4302326 -0.9466569 -0.5636479), wk = 0.0036101 k( 39) = ( 0.4418605 -0.9722422 -0.5788817), wk = 0.0036101 k( 40) = ( 0.4534884 -0.9978275 -0.5941154), wk = 0.0036101 k( 41) = ( 0.4651163 -1.0234128 -0.6093491), wk = 0.0036101 k( 42) = ( 0.4767442 -1.0489981 -0.6245828), wk = 0.0036101 k( 43) = ( 0.4883721 -1.0745834 -0.6398166), wk = 0.0036101 k( 44) = ( 0.5000000 -1.1001688 -0.6550503), wk = 0.0036101 k( 45) = ( 0.5000000 -1.1001688 -0.6550503), wk = 0.0036101 k( 46) = ( 0.5000000 -1.0843016 -0.6816994), wk = 0.0036101 k( 47) = ( 0.5000000 -1.0684345 -0.7083486), wk = 0.0036101 k( 48) = ( 0.5000000 -1.0525674 -0.7349977), wk = 0.0036101 k( 49) = ( 0.5000000 -1.0367002 -0.7616469), wk = 0.0036101 k( 50) = ( 0.5000000 -1.0208331 -0.7882960), wk = 0.0036101 k( 51) = ( 0.5000000 -1.0049660 -0.8149452), wk = 0.0036101 k( 52) = ( 0.5000000 -0.9890988 -0.8415943), wk = 0.0036101 k( 53) = ( 0.5000000 -0.9732317 -0.8682434), wk = 0.0036101 k( 54) = ( 0.5000000 -0.9573645 -0.8948926), wk = 0.0036101 k( 55) = ( 0.5000000 -0.9414974 -0.9215417), wk = 0.0036101 k( 56) = ( 0.5000000 -0.9256303 -0.9481908), wk = 0.0036101 k( 57) = ( 0.5000000 -0.9097632 -0.9748400), wk = 0.0036101 k( 58) = ( 0.5000000 -0.8938960 -1.0014891), wk = 0.0036101 k( 59) = ( 0.5000000 -0.8780289 -1.0281383), wk = 0.0036101 k( 60) = ( 0.5000000 -0.8621617 -1.0547874), wk = 0.0036101 k( 61) = ( 0.5000000 -0.8462946 -1.0814366), wk = 0.0036101 k( 62) = ( 0.5000000 -0.8304275 -1.1080857), wk = 0.0036101 k( 63) = ( 0.5000000 -0.8145603 -1.1347348), wk = 0.0036101 k( 64) = ( 0.5000000 -0.7986932 -1.1613840), wk = 0.0036101 k( 65) = ( 0.5000000 -0.7828260 -1.1880331), wk = 0.0036101 k( 66) = ( 0.5000000 -0.7669589 -1.2146823), wk = 0.0036101 k( 67) = ( 0.5000000 -0.7510918 -1.2413314), wk = 0.0036101 k( 68) = ( 0.5000000 -0.7352246 -1.2679806), wk = 0.0036101 k( 69) = ( 0.5000000 -0.7193575 -1.2946297), wk = 0.0036101 k( 70) = ( 0.5000000 -0.7034904 -1.3212788), wk = 0.0036101 k( 71) = ( 0.5000000 -0.6876232 -1.3479279), wk = 0.0036101 k( 72) = ( 0.5000000 -0.6717561 -1.3745771), wk = 0.0036101 k( 73) = ( 0.8227441 -0.6018565 -1.2456241), wk = 0.0036101 k( 74) = ( 0.8160203 -0.5870618 -1.2183303), wk = 0.0036101 k( 75) = ( 0.8092964 -0.5722671 -1.1910365), wk = 0.0036101 k( 76) = ( 0.8025726 -0.5574724 -1.1637428), wk = 0.0036101 k( 77) = ( 0.7958488 -0.5426777 -1.1364490), wk = 0.0036101 k( 78) = ( 0.7891249 -0.5278830 -1.1091552), wk = 0.0036101 k( 79) = ( 0.7824011 -0.5130883 -1.0818615), wk = 0.0036101 k( 80) = ( 0.7756773 -0.4982936 -1.0545677), wk = 0.0036101 k( 81) = ( 0.7689534 -0.4834989 -1.0272740), wk = 0.0036101 k( 82) = ( 0.7622296 -0.4687041 -0.9999802), wk = 0.0036101 k( 83) = ( 0.7555058 -0.4539094 -0.9726865), wk = 0.0036101 k( 84) = ( 0.7487819 -0.4391147 -0.9453927), wk = 0.0036101 k( 85) = ( 0.7420581 -0.4243200 -0.9180989), wk = 0.0036101 k( 86) = ( 0.7353342 -0.4095253 -0.8908052), wk = 0.0036101 k( 87) = ( 0.7286104 -0.3947306 -0.8635114), wk = 0.0036101 k( 88) = ( 0.7218866 -0.3799359 -0.8362176), wk = 0.0036101 k( 89) = ( 0.7151627 -0.3651412 -0.8089239), wk = 0.0036101 k( 90) = ( 0.7084389 -0.3503465 -0.7816301), wk = 0.0036101 k( 91) = ( 0.7017151 -0.3355518 -0.7543363), wk = 0.0036101 k( 92) = ( 0.6949912 -0.3207571 -0.7270426), wk = 0.0036101 k( 93) = ( 0.6882674 -0.3059624 -0.6997488), wk = 0.0036101 k( 94) = ( 0.6815436 -0.2911676 -0.6724551), wk = 0.0036101 k( 95) = ( 0.6748197 -0.2763729 -0.6451613), wk = 0.0036101 k( 96) = ( 0.6680959 -0.2615782 -0.6178675), wk = 0.0036101 k( 97) = ( 0.6613721 -0.2467835 -0.5905738), wk = 0.0036101 k( 98) = ( 0.6546482 -0.2319888 -0.5632800), wk = 0.0036101 k( 99) = ( 0.6479244 -0.2171941 -0.5359863), wk = 0.0036101 k( 100) = ( 0.6412005 -0.2023994 -0.5086925), wk = 0.0036101 k( 101) = ( 0.6344767 -0.1876047 -0.4813987), wk = 0.0036101 k( 102) = ( 0.6277529 -0.1728100 -0.4541050), wk = 0.0036101 k( 103) = ( 0.6210290 -0.1580153 -0.4268112), wk = 0.0036101 k( 104) = ( 0.6143052 -0.1432206 -0.3995175), wk = 0.0036101 k( 105) = ( 0.6075814 -0.1284259 -0.3722237), wk = 0.0036101 k( 106) = ( 0.6008575 -0.1136312 -0.3449299), wk = 0.0036101 k( 107) = ( 0.5941337 -0.0988364 -0.3176362), wk = 0.0036101 k( 108) = ( 0.5874099 -0.0840417 -0.2903424), wk = 0.0036101 k( 109) = ( 0.5806860 -0.0692470 -0.2630486), wk = 0.0036101 k( 110) = ( 0.5739622 -0.0544523 -0.2357549), wk = 0.0036101 k( 111) = ( 0.5672384 -0.0396576 -0.2084611), wk = 0.0036101 k( 112) = ( 0.5605145 -0.0248629 -0.1811673), wk = 0.0036101 k( 113) = ( 0.5537907 -0.0100682 -0.1538736), wk = 0.0036101 k( 114) = ( 0.5470668 0.0047265 -0.1265798), wk = 0.0036101 k( 115) = ( 0.5403430 0.0195212 -0.0992860), wk = 0.0036101 k( 116) = ( 0.5336192 0.0343159 -0.0719923), wk = 0.0036101 k( 117) = ( 0.5268953 0.0491106 -0.0446985), wk = 0.0036101 k( 118) = ( 0.5201715 0.0639053 -0.0174048), wk = 0.0036101 k( 119) = ( 0.5134477 0.0787001 0.0098890), wk = 0.0036101 k( 120) = ( 0.5067238 0.0934948 0.0371827), wk = 0.0036101 k( 121) = ( 0.5000000 0.1082895 0.0644765), wk = 0.0036101 k( 122) = ( 0.5000000 0.1082895 0.0644765), wk = 0.0036101 k( 123) = ( 0.4705882 0.1019195 0.0606838), wk = 0.0036101 k( 124) = ( 0.4411765 0.0955495 0.0568910), wk = 0.0036101 k( 125) = ( 0.4117647 0.0891796 0.0530983), wk = 0.0036101 k( 126) = ( 0.3823529 0.0828096 0.0493056), wk = 0.0036101 k( 127) = ( 0.3529412 0.0764396 0.0455128), wk = 0.0036101 k( 128) = ( 0.3235294 0.0700697 0.0417201), wk = 0.0036101 k( 129) = ( 0.2941177 0.0636997 0.0379274), wk = 0.0036101 k( 130) = ( 0.2647059 0.0573297 0.0341346), wk = 0.0036101 k( 131) = ( 0.2352941 0.0509598 0.0303419), wk = 0.0036101 k( 132) = ( 0.2058823 0.0445898 0.0265492), wk = 0.0036101 k( 133) = ( 0.1764706 0.0382198 0.0227564), wk = 0.0036101 k( 134) = ( 0.1470588 0.0318498 0.0189637), wk = 0.0036101 k( 135) = ( 0.1176471 0.0254799 0.0151709), wk = 0.0036101 k( 136) = ( 0.0882353 0.0191099 0.0113782), wk = 0.0036101 k( 137) = ( 0.0588235 0.0127399 0.0075855), wk = 0.0036101 k( 138) = ( 0.0294118 0.0063700 0.0037927), wk = 0.0036101 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 141) = ( 0.0067726 -0.0149019 -0.0274915), wk = 0.0036101 k( 142) = ( 0.0135451 -0.0298038 -0.0549831), wk = 0.0036101 k( 143) = ( 0.0203177 -0.0447058 -0.0824746), wk = 0.0036101 k( 144) = ( 0.0270902 -0.0596077 -0.1099662), wk = 0.0036101 k( 145) = ( 0.0338628 -0.0745096 -0.1374577), wk = 0.0036101 k( 146) = ( 0.0406354 -0.0894115 -0.1649492), wk = 0.0036101 k( 147) = ( 0.0474079 -0.1043134 -0.1924408), wk = 0.0036101 k( 148) = ( 0.0541805 -0.1192153 -0.2199323), wk = 0.0036101 k( 149) = ( 0.0609530 -0.1341172 -0.2474239), wk = 0.0036101 k( 150) = ( 0.0677256 -0.1490192 -0.2749154), wk = 0.0036101 k( 151) = ( 0.0744981 -0.1639211 -0.3024070), wk = 0.0036101 k( 152) = ( 0.0812707 -0.1788230 -0.3298985), wk = 0.0036101 k( 153) = ( 0.0880433 -0.1937249 -0.3573901), wk = 0.0036101 k( 154) = ( 0.0948158 -0.2086268 -0.3848816), wk = 0.0036101 k( 155) = ( 0.1015884 -0.2235287 -0.4123731), wk = 0.0036101 k( 156) = ( 0.1083609 -0.2384306 -0.4398647), wk = 0.0036101 k( 157) = ( 0.1151335 -0.2533326 -0.4673562), wk = 0.0036101 k( 158) = ( 0.1219061 -0.2682345 -0.4948478), wk = 0.0036101 k( 159) = ( 0.1286786 -0.2831364 -0.5223393), wk = 0.0036101 k( 160) = ( 0.1354512 -0.2980383 -0.5498309), wk = 0.0036101 k( 161) = ( 0.1422237 -0.3129402 -0.5773224), wk = 0.0036101 k( 162) = ( 0.1489963 -0.3278422 -0.6048139), wk = 0.0036101 k( 163) = ( 0.1557688 -0.3427440 -0.6323055), wk = 0.0036101 k( 164) = ( 0.1625414 -0.3576460 -0.6597970), wk = 0.0036101 k( 165) = ( 0.1693140 -0.3725479 -0.6872885), wk = 0.0036101 k( 166) = ( 0.1760865 -0.3874498 -0.7147801), wk = 0.0036101 k( 167) = ( 0.1828591 -0.4023517 -0.7422716), wk = 0.0036101 k( 168) = ( 0.1896317 -0.4172536 -0.7697632), wk = 0.0036101 k( 169) = ( 0.1964042 -0.4321556 -0.7972547), wk = 0.0036101 k( 170) = ( 0.2031768 -0.4470575 -0.8247463), wk = 0.0036101 k( 171) = ( 0.2099493 -0.4619594 -0.8522378), wk = 0.0036101 k( 172) = ( 0.2167219 -0.4768613 -0.8797293), wk = 0.0036101 k( 173) = ( 0.2234944 -0.4917632 -0.9072209), wk = 0.0036101 k( 174) = ( 0.2302670 -0.5066651 -0.9347124), wk = 0.0036101 k( 175) = ( 0.2370396 -0.5215670 -0.9622040), wk = 0.0036101 k( 176) = ( 0.2438121 -0.5364690 -0.9896955), wk = 0.0036101 k( 177) = ( 0.2505847 -0.5513709 -1.0171871), wk = 0.0036101 k( 178) = ( 0.2573572 -0.5662728 -1.0446786), wk = 0.0036101 k( 179) = ( 0.2641298 -0.5811747 -1.0721702), wk = 0.0036101 k( 180) = ( 0.2709024 -0.5960766 -1.0996617), wk = 0.0036101 k( 181) = ( 0.2776749 -0.6109785 -1.1271532), wk = 0.0036101 k( 182) = ( 0.2844475 -0.6258804 -1.1546448), wk = 0.0036101 k( 183) = ( 0.2912200 -0.6407824 -1.1821363), wk = 0.0036101 k( 184) = ( 0.2979926 -0.6556843 -1.2096279), wk = 0.0036101 k( 185) = ( 0.3047651 -0.6705862 -1.2371194), wk = 0.0036101 k( 186) = ( 0.3115377 -0.6854881 -1.2646109), wk = 0.0036101 k( 187) = ( 0.3183103 -0.7003900 -1.2921025), wk = 0.0036101 k( 188) = ( 0.3250828 -0.7152920 -1.3195940), wk = 0.0036101 k( 189) = ( 0.3318554 -0.7301939 -1.3470855), wk = 0.0036101 k( 190) = ( 0.3386279 -0.7450958 -1.3745771), wk = 0.0036101 k( 191) = ( 0.6613721 -0.6368063 -1.3101006), wk = 0.0036101 k( 192) = ( 0.6546482 -0.6057606 -1.3101006), wk = 0.0036101 k( 193) = ( 0.6479244 -0.5747150 -1.3101006), wk = 0.0036101 k( 194) = ( 0.6412005 -0.5436693 -1.3101006), wk = 0.0036101 k( 195) = ( 0.6344767 -0.5126237 -1.3101006), wk = 0.0036101 k( 196) = ( 0.6277529 -0.4815780 -1.3101006), wk = 0.0036101 k( 197) = ( 0.6210290 -0.4505324 -1.3101006), wk = 0.0036101 k( 198) = ( 0.6143052 -0.4194867 -1.3101006), wk = 0.0036101 k( 199) = ( 0.6075814 -0.3884410 -1.3101006), wk = 0.0036101 k( 200) = ( 0.6008575 -0.3573954 -1.3101006), wk = 0.0036101 k( 201) = ( 0.5941337 -0.3263497 -1.3101006), wk = 0.0036101 k( 202) = ( 0.5874099 -0.2953041 -1.3101006), wk = 0.0036101 k( 203) = ( 0.5806860 -0.2642584 -1.3101006), wk = 0.0036101 k( 204) = ( 0.5739622 -0.2332127 -1.3101006), wk = 0.0036101 k( 205) = ( 0.5672384 -0.2021671 -1.3101006), wk = 0.0036101 k( 206) = ( 0.5605145 -0.1711214 -1.3101006), wk = 0.0036101 k( 207) = ( 0.5537907 -0.1400758 -1.3101006), wk = 0.0036101 k( 208) = ( 0.5470668 -0.1090301 -1.3101006), wk = 0.0036101 k( 209) = ( 0.5403430 -0.0779845 -1.3101006), wk = 0.0036101 k( 210) = ( 0.5336192 -0.0469388 -1.3101006), wk = 0.0036101 k( 211) = ( 0.5268953 -0.0158931 -1.3101006), wk = 0.0036101 k( 212) = ( 0.5201715 0.0151525 -1.3101006), wk = 0.0036101 k( 213) = ( 0.5134477 0.0461982 -1.3101006), wk = 0.0036101 k( 214) = ( 0.5067238 0.0772438 -1.3101006), wk = 0.0036101 k( 215) = ( 0.5000000 0.1082895 -1.3101006), wk = 0.0036101 k( 216) = ( 0.5000000 0.1082895 -1.3101006), wk = 0.0036101 k( 217) = ( 0.5268953 0.1141144 -1.2993545), wk = 0.0036101 k( 218) = ( 0.5537907 0.1199394 -1.2886084), wk = 0.0036101 k( 219) = ( 0.5806860 0.1257644 -1.2778623), wk = 0.0036101 k( 220) = ( 0.6075814 0.1315893 -1.2671162), wk = 0.0036101 k( 221) = ( 0.6344767 0.1374143 -1.2563701), wk = 0.0036101 k( 222) = ( 0.6613721 0.1432393 -1.2456241), wk = 0.0036101 k( 223) = ( 0.6613721 0.1432393 -1.2456241), wk = 0.0036101 k( 224) = ( 0.6575299 0.1424071 -1.2144312), wk = 0.0036101 k( 225) = ( 0.6536877 0.1415750 -1.1832383), wk = 0.0036101 k( 226) = ( 0.6498455 0.1407428 -1.1520455), wk = 0.0036101 k( 227) = ( 0.6460033 0.1399107 -1.1208526), wk = 0.0036101 k( 228) = ( 0.6421611 0.1390786 -1.0896597), wk = 0.0036101 k( 229) = ( 0.6383189 0.1382464 -1.0584669), wk = 0.0036101 k( 230) = ( 0.6344767 0.1374143 -1.0272740), wk = 0.0036101 k( 231) = ( 0.6306345 0.1365822 -0.9960811), wk = 0.0036101 k( 232) = ( 0.6267923 0.1357500 -0.9648882), wk = 0.0036101 k( 233) = ( 0.6229501 0.1349179 -0.9336954), wk = 0.0036101 k( 234) = ( 0.6191079 0.1340857 -0.9025025), wk = 0.0036101 k( 235) = ( 0.6152657 0.1332536 -0.8713096), wk = 0.0036101 k( 236) = ( 0.6114236 0.1324215 -0.8401168), wk = 0.0036101 k( 237) = ( 0.6075814 0.1315893 -0.8089239), wk = 0.0036101 k( 238) = ( 0.6037392 0.1307572 -0.7777310), wk = 0.0036101 k( 239) = ( 0.5998970 0.1299251 -0.7465381), wk = 0.0036101 k( 240) = ( 0.5960548 0.1290929 -0.7153453), wk = 0.0036101 k( 241) = ( 0.5922126 0.1282608 -0.6841524), wk = 0.0036101 k( 242) = ( 0.5883704 0.1274286 -0.6529595), wk = 0.0036101 k( 243) = ( 0.5845282 0.1265965 -0.6217666), wk = 0.0036101 k( 244) = ( 0.5806860 0.1257644 -0.5905738), wk = 0.0036101 k( 245) = ( 0.5768438 0.1249322 -0.5593809), wk = 0.0036101 k( 246) = ( 0.5730016 0.1241001 -0.5281880), wk = 0.0036101 k( 247) = ( 0.5691595 0.1232680 -0.4969952), wk = 0.0036101 k( 248) = ( 0.5653173 0.1224358 -0.4658023), wk = 0.0036101 k( 249) = ( 0.5614751 0.1216037 -0.4346094), wk = 0.0036101 k( 250) = ( 0.5576329 0.1207715 -0.4034165), wk = 0.0036101 k( 251) = ( 0.5537907 0.1199394 -0.3722237), wk = 0.0036101 k( 252) = ( 0.5499485 0.1191073 -0.3410308), wk = 0.0036101 k( 253) = ( 0.5461063 0.1182751 -0.3098379), wk = 0.0036101 k( 254) = ( 0.5422641 0.1174430 -0.2786451), wk = 0.0036101 k( 255) = ( 0.5384219 0.1166109 -0.2474522), wk = 0.0036101 k( 256) = ( 0.5345797 0.1157787 -0.2162593), wk = 0.0036101 k( 257) = ( 0.5307375 0.1149466 -0.1850664), wk = 0.0036101 k( 258) = ( 0.5268953 0.1141144 -0.1538736), wk = 0.0036101 k( 259) = ( 0.5230531 0.1132823 -0.1226807), wk = 0.0036101 k( 260) = ( 0.5192110 0.1124502 -0.0914878), wk = 0.0036101 k( 261) = ( 0.5153688 0.1116180 -0.0602950), wk = 0.0036101 k( 262) = ( 0.5115266 0.1107859 -0.0291021), wk = 0.0036101 k( 263) = ( 0.5076844 0.1099537 0.0020908), wk = 0.0036101 k( 264) = ( 0.5038422 0.1091216 0.0332837), wk = 0.0036101 k( 265) = ( 0.5000000 0.1082895 0.0644765), wk = 0.0036101 k( 266) = ( 0.5000000 -1.1001688 -0.6550503), wk = 0.0036101 k( 267) = ( 0.5293404 -1.0903243 -0.6491888), wk = 0.0036101 k( 268) = ( 0.5586807 -1.0804798 -0.6433273), wk = 0.0036101 k( 269) = ( 0.5880211 -1.0706353 -0.6374658), wk = 0.0036101 k( 270) = ( 0.6173615 -1.0607908 -0.6316043), wk = 0.0036101 k( 271) = ( 0.6467019 -1.0509463 -0.6257428), wk = 0.0036101 k( 272) = ( 0.6760422 -1.0411018 -0.6198813), wk = 0.0036101 k( 273) = ( 0.7053826 -1.0312573 -0.6140198), wk = 0.0036101 k( 274) = ( 0.7347230 -1.0214128 -0.6081583), wk = 0.0036101 k( 275) = ( 0.7640634 -1.0115683 -0.6022968), wk = 0.0036101 k( 276) = ( 0.7934037 -1.0017238 -0.5964353), wk = 0.0036101 k( 277) = ( 0.8227441 -0.9918793 -0.5905738), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0036101 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0036101 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0036101 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0036101 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0036101 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0036101 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0036101 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0036101 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0036101 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0036101 k( 12) = ( 0.1279070 -0.0000000 0.0000000), wk = 0.0036101 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0036101 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0036101 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0036101 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0036101 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0036101 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0036101 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0036101 k( 20) = ( 0.2209302 -0.0000000 0.0000000), wk = 0.0036101 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0036101 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0036101 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0036101 k( 24) = ( 0.2674419 -0.0000000 0.0000000), wk = 0.0036101 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0036101 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0036101 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0036101 k( 28) = ( 0.3139535 -0.0000000 0.0000000), wk = 0.0036101 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0036101 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0036101 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0036101 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0036101 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0036101 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0036101 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0036101 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0036101 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0036101 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0036101 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0036101 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0036101 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0036101 k( 42) = ( 0.4767442 -0.0000000 0.0000000), wk = 0.0036101 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0036101 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 46) = ( 0.5000000 0.0065650 -0.0065650), wk = 0.0036101 k( 47) = ( 0.5000000 0.0131301 -0.0131301), wk = 0.0036101 k( 48) = ( 0.5000000 0.0196951 -0.0196951), wk = 0.0036101 k( 49) = ( 0.5000000 0.0262601 -0.0262601), wk = 0.0036101 k( 50) = ( 0.5000000 0.0328252 -0.0328252), wk = 0.0036101 k( 51) = ( 0.5000000 0.0393902 -0.0393902), wk = 0.0036101 k( 52) = ( 0.5000000 0.0459552 -0.0459552), wk = 0.0036101 k( 53) = ( 0.5000000 0.0525203 -0.0525203), wk = 0.0036101 k( 54) = ( 0.5000000 0.0590853 -0.0590853), wk = 0.0036101 k( 55) = ( 0.5000000 0.0656503 -0.0656503), wk = 0.0036101 k( 56) = ( 0.5000000 0.0722154 -0.0722154), wk = 0.0036101 k( 57) = ( 0.5000000 0.0787804 -0.0787804), wk = 0.0036101 k( 58) = ( 0.5000000 0.0853454 -0.0853454), wk = 0.0036101 k( 59) = ( 0.5000000 0.0919105 -0.0919105), wk = 0.0036101 k( 60) = ( 0.5000000 0.0984755 -0.0984755), wk = 0.0036101 k( 61) = ( 0.5000000 0.1050405 -0.1050405), wk = 0.0036101 k( 62) = ( 0.5000000 0.1116056 -0.1116056), wk = 0.0036101 k( 63) = ( 0.5000000 0.1181706 -0.1181706), wk = 0.0036101 k( 64) = ( 0.5000000 0.1247356 -0.1247356), wk = 0.0036101 k( 65) = ( 0.5000000 0.1313007 -0.1313007), wk = 0.0036101 k( 66) = ( 0.5000000 0.1378657 -0.1378657), wk = 0.0036101 k( 67) = ( 0.5000000 0.1444307 -0.1444307), wk = 0.0036101 k( 68) = ( 0.5000000 0.1509958 -0.1509958), wk = 0.0036101 k( 69) = ( 0.5000000 0.1575608 -0.1575608), wk = 0.0036101 k( 70) = ( 0.5000000 0.1641258 -0.1641258), wk = 0.0036101 k( 71) = ( 0.5000000 0.1706908 -0.1706908), wk = 0.0036101 k( 72) = ( 0.5000000 0.1772559 -0.1772559), wk = 0.0036101 k( 73) = ( 0.8227441 0.5000000 0.1772559), wk = 0.0036101 k( 74) = ( 0.8160203 0.5000000 0.1839797), wk = 0.0036101 k( 75) = ( 0.8092964 0.5000000 0.1907036), wk = 0.0036101 k( 76) = ( 0.8025726 0.5000000 0.1974274), wk = 0.0036101 k( 77) = ( 0.7958488 0.5000000 0.2041512), wk = 0.0036101 k( 78) = ( 0.7891249 0.5000000 0.2108751), wk = 0.0036101 k( 79) = ( 0.7824011 0.5000000 0.2175989), wk = 0.0036101 k( 80) = ( 0.7756773 0.5000000 0.2243227), wk = 0.0036101 k( 81) = ( 0.7689534 0.5000000 0.2310466), wk = 0.0036101 k( 82) = ( 0.7622296 0.5000000 0.2377704), wk = 0.0036101 k( 83) = ( 0.7555058 0.5000000 0.2444942), wk = 0.0036101 k( 84) = ( 0.7487819 0.5000000 0.2512181), wk = 0.0036101 k( 85) = ( 0.7420581 0.5000000 0.2579419), wk = 0.0036101 k( 86) = ( 0.7353342 0.5000000 0.2646657), wk = 0.0036101 k( 87) = ( 0.7286104 0.5000000 0.2713896), wk = 0.0036101 k( 88) = ( 0.7218866 0.5000000 0.2781134), wk = 0.0036101 k( 89) = ( 0.7151627 0.5000000 0.2848373), wk = 0.0036101 k( 90) = ( 0.7084389 0.5000000 0.2915611), wk = 0.0036101 k( 91) = ( 0.7017151 0.5000000 0.2982849), wk = 0.0036101 k( 92) = ( 0.6949912 0.5000000 0.3050088), wk = 0.0036101 k( 93) = ( 0.6882674 0.5000000 0.3117326), wk = 0.0036101 k( 94) = ( 0.6815436 0.5000000 0.3184564), wk = 0.0036101 k( 95) = ( 0.6748197 0.5000000 0.3251803), wk = 0.0036101 k( 96) = ( 0.6680959 0.5000000 0.3319041), wk = 0.0036101 k( 97) = ( 0.6613721 0.5000000 0.3386279), wk = 0.0036101 k( 98) = ( 0.6546482 0.5000000 0.3453518), wk = 0.0036101 k( 99) = ( 0.6479244 0.5000000 0.3520756), wk = 0.0036101 k( 100) = ( 0.6412005 0.5000000 0.3587995), wk = 0.0036101 k( 101) = ( 0.6344767 0.5000000 0.3655233), wk = 0.0036101 k( 102) = ( 0.6277529 0.5000000 0.3722471), wk = 0.0036101 k( 103) = ( 0.6210290 0.5000000 0.3789710), wk = 0.0036101 k( 104) = ( 0.6143052 0.5000000 0.3856948), wk = 0.0036101 k( 105) = ( 0.6075814 0.5000000 0.3924186), wk = 0.0036101 k( 106) = ( 0.6008575 0.5000000 0.3991425), wk = 0.0036101 k( 107) = ( 0.5941337 0.5000000 0.4058663), wk = 0.0036101 k( 108) = ( 0.5874099 0.5000000 0.4125901), wk = 0.0036101 k( 109) = ( 0.5806860 0.5000000 0.4193140), wk = 0.0036101 k( 110) = ( 0.5739622 0.5000000 0.4260378), wk = 0.0036101 k( 111) = ( 0.5672384 0.5000000 0.4327616), wk = 0.0036101 k( 112) = ( 0.5605145 0.5000000 0.4394855), wk = 0.0036101 k( 113) = ( 0.5537907 0.5000000 0.4462093), wk = 0.0036101 k( 114) = ( 0.5470668 0.5000000 0.4529332), wk = 0.0036101 k( 115) = ( 0.5403430 0.5000000 0.4596570), wk = 0.0036101 k( 116) = ( 0.5336192 0.5000000 0.4663808), wk = 0.0036101 k( 117) = ( 0.5268953 0.5000000 0.4731047), wk = 0.0036101 k( 118) = ( 0.5201715 0.5000000 0.4798285), wk = 0.0036101 k( 119) = ( 0.5134477 0.5000000 0.4865523), wk = 0.0036101 k( 120) = ( 0.5067238 0.5000000 0.4932762), wk = 0.0036101 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 123) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0036101 k( 124) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0036101 k( 125) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0036101 k( 126) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0036101 k( 127) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0036101 k( 128) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0036101 k( 129) = ( 0.2941177 0.2941176 0.2941177), wk = 0.0036101 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0036101 k( 131) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0036101 k( 132) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0036101 k( 133) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0036101 k( 134) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0036101 k( 135) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0036101 k( 136) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0036101 k( 137) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0036101 k( 138) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0036101 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 141) = ( 0.0067726 0.0000000 -0.0067726), wk = 0.0036101 k( 142) = ( 0.0135451 0.0000000 -0.0135451), wk = 0.0036101 k( 143) = ( 0.0203177 -0.0000000 -0.0203177), wk = 0.0036101 k( 144) = ( 0.0270902 0.0000000 -0.0270902), wk = 0.0036101 k( 145) = ( 0.0338628 -0.0000000 -0.0338628), wk = 0.0036101 k( 146) = ( 0.0406354 -0.0000000 -0.0406354), wk = 0.0036101 k( 147) = ( 0.0474079 -0.0000000 -0.0474079), wk = 0.0036101 k( 148) = ( 0.0541805 -0.0000000 -0.0541805), wk = 0.0036101 k( 149) = ( 0.0609530 -0.0000000 -0.0609530), wk = 0.0036101 k( 150) = ( 0.0677256 0.0000000 -0.0677256), wk = 0.0036101 k( 151) = ( 0.0744981 -0.0000000 -0.0744981), wk = 0.0036101 k( 152) = ( 0.0812707 -0.0000000 -0.0812707), wk = 0.0036101 k( 153) = ( 0.0880433 -0.0000000 -0.0880433), wk = 0.0036101 k( 154) = ( 0.0948158 -0.0000000 -0.0948158), wk = 0.0036101 k( 155) = ( 0.1015884 0.0000000 -0.1015884), wk = 0.0036101 k( 156) = ( 0.1083609 -0.0000000 -0.1083609), wk = 0.0036101 k( 157) = ( 0.1151335 -0.0000000 -0.1151335), wk = 0.0036101 k( 158) = ( 0.1219061 -0.0000000 -0.1219061), wk = 0.0036101 k( 159) = ( 0.1286786 -0.0000000 -0.1286786), wk = 0.0036101 k( 160) = ( 0.1354512 0.0000000 -0.1354512), wk = 0.0036101 k( 161) = ( 0.1422237 -0.0000000 -0.1422237), wk = 0.0036101 k( 162) = ( 0.1489963 -0.0000000 -0.1489963), wk = 0.0036101 k( 163) = ( 0.1557688 -0.0000000 -0.1557688), wk = 0.0036101 k( 164) = ( 0.1625414 -0.0000000 -0.1625414), wk = 0.0036101 k( 165) = ( 0.1693140 -0.0000000 -0.1693140), wk = 0.0036101 k( 166) = ( 0.1760865 0.0000000 -0.1760865), wk = 0.0036101 k( 167) = ( 0.1828591 0.0000000 -0.1828591), wk = 0.0036101 k( 168) = ( 0.1896317 -0.0000000 -0.1896317), wk = 0.0036101 k( 169) = ( 0.1964042 -0.0000000 -0.1964042), wk = 0.0036101 k( 170) = ( 0.2031768 -0.0000000 -0.2031768), wk = 0.0036101 k( 171) = ( 0.2099493 -0.0000000 -0.2099493), wk = 0.0036101 k( 172) = ( 0.2167219 -0.0000000 -0.2167219), wk = 0.0036101 k( 173) = ( 0.2234944 -0.0000000 -0.2234944), wk = 0.0036101 k( 174) = ( 0.2302670 -0.0000000 -0.2302670), wk = 0.0036101 k( 175) = ( 0.2370396 -0.0000000 -0.2370396), wk = 0.0036101 k( 176) = ( 0.2438121 -0.0000000 -0.2438121), wk = 0.0036101 k( 177) = ( 0.2505847 -0.0000000 -0.2505847), wk = 0.0036101 k( 178) = ( 0.2573572 -0.0000000 -0.2573572), wk = 0.0036101 k( 179) = ( 0.2641298 -0.0000000 -0.2641298), wk = 0.0036101 k( 180) = ( 0.2709024 -0.0000000 -0.2709023), wk = 0.0036101 k( 181) = ( 0.2776749 -0.0000000 -0.2776749), wk = 0.0036101 k( 182) = ( 0.2844475 -0.0000000 -0.2844475), wk = 0.0036101 k( 183) = ( 0.2912200 -0.0000000 -0.2912200), wk = 0.0036101 k( 184) = ( 0.2979926 0.0000000 -0.2979926), wk = 0.0036101 k( 185) = ( 0.3047651 0.0000000 -0.3047651), wk = 0.0036101 k( 186) = ( 0.3115377 0.0000000 -0.3115377), wk = 0.0036101 k( 187) = ( 0.3183103 0.0000000 -0.3183103), wk = 0.0036101 k( 188) = ( 0.3250828 0.0000000 -0.3250828), wk = 0.0036101 k( 189) = ( 0.3318554 -0.0000000 -0.3318554), wk = 0.0036101 k( 190) = ( 0.3386279 -0.0000000 -0.3386279), wk = 0.0036101 k( 191) = ( 0.6613721 0.3386279 0.0000000), wk = 0.0036101 k( 192) = ( 0.6546482 0.3453518 -0.0000000), wk = 0.0036101 k( 193) = ( 0.6479244 0.3520756 -0.0000000), wk = 0.0036101 k( 194) = ( 0.6412005 0.3587994 0.0000000), wk = 0.0036101 k( 195) = ( 0.6344767 0.3655233 -0.0000000), wk = 0.0036101 k( 196) = ( 0.6277529 0.3722471 -0.0000000), wk = 0.0036101 k( 197) = ( 0.6210290 0.3789710 0.0000000), wk = 0.0036101 k( 198) = ( 0.6143052 0.3856948 -0.0000000), wk = 0.0036101 k( 199) = ( 0.6075814 0.3924186 -0.0000000), wk = 0.0036101 k( 200) = ( 0.6008575 0.3991425 -0.0000000), wk = 0.0036101 k( 201) = ( 0.5941337 0.4058663 -0.0000000), wk = 0.0036101 k( 202) = ( 0.5874099 0.4125901 -0.0000000), wk = 0.0036101 k( 203) = ( 0.5806860 0.4193140 -0.0000000), wk = 0.0036101 k( 204) = ( 0.5739622 0.4260378 -0.0000000), wk = 0.0036101 k( 205) = ( 0.5672384 0.4327616 -0.0000000), wk = 0.0036101 k( 206) = ( 0.5605145 0.4394855 0.0000000), wk = 0.0036101 k( 207) = ( 0.5537907 0.4462093 -0.0000000), wk = 0.0036101 k( 208) = ( 0.5470668 0.4529331 0.0000000), wk = 0.0036101 k( 209) = ( 0.5403430 0.4596570 -0.0000000), wk = 0.0036101 k( 210) = ( 0.5336192 0.4663808 -0.0000000), wk = 0.0036101 k( 211) = ( 0.5268953 0.4731047 -0.0000000), wk = 0.0036101 k( 212) = ( 0.5201715 0.4798285 -0.0000000), wk = 0.0036101 k( 213) = ( 0.5134477 0.4865523 -0.0000000), wk = 0.0036101 k( 214) = ( 0.5067238 0.4932762 -0.0000000), wk = 0.0036101 k( 215) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036101 k( 216) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036101 k( 217) = ( 0.5268953 0.5268953 0.0295426), wk = 0.0036101 k( 218) = ( 0.5537907 0.5537907 0.0590853), wk = 0.0036101 k( 219) = ( 0.5806860 0.5806860 0.0886279), wk = 0.0036101 k( 220) = ( 0.6075814 0.6075814 0.1181706), wk = 0.0036101 k( 221) = ( 0.6344767 0.6344767 0.1477132), wk = 0.0036101 k( 222) = ( 0.6613721 0.6613721 0.1772559), wk = 0.0036101 k( 223) = ( 0.6613721 0.6613721 0.1772559), wk = 0.0036101 k( 224) = ( 0.6575299 0.6575299 0.1849403), wk = 0.0036101 k( 225) = ( 0.6536877 0.6536877 0.1926247), wk = 0.0036101 k( 226) = ( 0.6498455 0.6498455 0.2003090), wk = 0.0036101 k( 227) = ( 0.6460033 0.6460033 0.2079934), wk = 0.0036101 k( 228) = ( 0.6421611 0.6421611 0.2156778), wk = 0.0036101 k( 229) = ( 0.6383189 0.6383189 0.2233622), wk = 0.0036101 k( 230) = ( 0.6344767 0.6344767 0.2310466), wk = 0.0036101 k( 231) = ( 0.6306345 0.6306345 0.2387310), wk = 0.0036101 k( 232) = ( 0.6267923 0.6267923 0.2464153), wk = 0.0036101 k( 233) = ( 0.6229501 0.6229501 0.2540997), wk = 0.0036101 k( 234) = ( 0.6191079 0.6191079 0.2617841), wk = 0.0036101 k( 235) = ( 0.6152657 0.6152657 0.2694685), wk = 0.0036101 k( 236) = ( 0.6114236 0.6114236 0.2771529), wk = 0.0036101 k( 237) = ( 0.6075814 0.6075814 0.2848373), wk = 0.0036101 k( 238) = ( 0.6037392 0.6037392 0.2925216), wk = 0.0036101 k( 239) = ( 0.5998970 0.5998970 0.3002060), wk = 0.0036101 k( 240) = ( 0.5960548 0.5960548 0.3078904), wk = 0.0036101 k( 241) = ( 0.5922126 0.5922126 0.3155748), wk = 0.0036101 k( 242) = ( 0.5883704 0.5883704 0.3232592), wk = 0.0036101 k( 243) = ( 0.5845282 0.5845282 0.3309436), wk = 0.0036101 k( 244) = ( 0.5806860 0.5806860 0.3386279), wk = 0.0036101 k( 245) = ( 0.5768438 0.5768438 0.3463123), wk = 0.0036101 k( 246) = ( 0.5730016 0.5730016 0.3539967), wk = 0.0036101 k( 247) = ( 0.5691595 0.5691594 0.3616811), wk = 0.0036101 k( 248) = ( 0.5653173 0.5653173 0.3693655), wk = 0.0036101 k( 249) = ( 0.5614751 0.5614751 0.3770499), wk = 0.0036101 k( 250) = ( 0.5576329 0.5576329 0.3847343), wk = 0.0036101 k( 251) = ( 0.5537907 0.5537907 0.3924186), wk = 0.0036101 k( 252) = ( 0.5499485 0.5499485 0.4001030), wk = 0.0036101 k( 253) = ( 0.5461063 0.5461063 0.4077874), wk = 0.0036101 k( 254) = ( 0.5422641 0.5422641 0.4154718), wk = 0.0036101 k( 255) = ( 0.5384219 0.5384219 0.4231562), wk = 0.0036101 k( 256) = ( 0.5345797 0.5345797 0.4308405), wk = 0.0036101 k( 257) = ( 0.5307375 0.5307375 0.4385249), wk = 0.0036101 k( 258) = ( 0.5268953 0.5268953 0.4462093), wk = 0.0036101 k( 259) = ( 0.5230531 0.5230531 0.4538937), wk = 0.0036101 k( 260) = ( 0.5192110 0.5192110 0.4615781), wk = 0.0036101 k( 261) = ( 0.5153688 0.5153688 0.4692625), wk = 0.0036101 k( 262) = ( 0.5115266 0.5115266 0.4769468), wk = 0.0036101 k( 263) = ( 0.5076844 0.5076844 0.4846312), wk = 0.0036101 k( 264) = ( 0.5038422 0.5038422 0.4923156), wk = 0.0036101 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 267) = ( 0.5293404 0.0307844 0.0307844), wk = 0.0036101 k( 268) = ( 0.5586807 0.0615687 0.0615687), wk = 0.0036101 k( 269) = ( 0.5880211 0.0923531 0.0923531), wk = 0.0036101 k( 270) = ( 0.6173615 0.1231374 0.1231374), wk = 0.0036101 k( 271) = ( 0.6467019 0.1539218 0.1539218), wk = 0.0036101 k( 272) = ( 0.6760422 0.1847061 0.1847061), wk = 0.0036101 k( 273) = ( 0.7053826 0.2154905 0.2154905), wk = 0.0036101 k( 274) = ( 0.7347230 0.2462749 0.2462749), wk = 0.0036101 k( 275) = ( 0.7640634 0.2770592 0.2770592), wk = 0.0036101 k( 276) = ( 0.7934037 0.3078436 0.3078436), wk = 0.0036101 k( 277) = ( 0.8227441 0.3386279 0.3386279), wk = 0.0036101 Dense grid: 103469 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 50195 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 370, 60) NL pseudopotentials 0.41 Mb ( 185, 146) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.02 Mb ( 2875) G-vector shells 0.02 Mb ( 2420) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 370, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 146, 2, 60) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba2CuBrO2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 8.5 secs Computing kpt #: 3 total cpu time spent up to now is 11.3 secs Computing kpt #: 4 total cpu time spent up to now is 13.8 secs Computing kpt #: 5 total cpu time spent up to now is 16.2 secs Computing kpt #: 6 total cpu time spent up to now is 18.7 secs Computing kpt #: 7 total cpu time spent up to now is 21.6 secs Computing kpt #: 8 total cpu time spent up to now is 24.6 secs Computing kpt #: 9 total cpu time spent up to now is 27.1 secs Computing kpt #: 10 total cpu time spent up to now is 30.1 secs Computing kpt #: 11 total cpu time spent up to now is 33.7 secs Computing kpt #: 12 total cpu time spent up to now is 36.7 secs Computing kpt #: 13 total cpu time spent up to now is 40.1 secs Computing kpt #: 14 total cpu time spent up to now is 44.0 secs Computing kpt #: 15 total cpu time spent up to now is 46.8 secs Computing kpt #: 16 total cpu time spent up to now is 50.7 secs Computing kpt #: 17 total cpu time spent up to now is 54.6 secs Computing kpt #: 18 total cpu time spent up to now is 57.9 secs Computing kpt #: 19 total cpu time spent up to now is 60.8 secs Computing kpt #: 20 total cpu time spent up to now is 63.9 secs Computing kpt #: 21 total cpu time spent up to now is 66.7 secs Computing kpt #: 22 total cpu time spent up to now is 69.7 secs Computing kpt #: 23 total cpu time spent up to now is 72.6 secs Computing kpt #: 24 total cpu time spent up to now is 75.5 secs Computing kpt #: 25 total cpu time spent up to now is 78.5 secs Computing kpt #: 26 total cpu time spent up to now is 81.4 secs Computing kpt #: 27 total cpu time spent up to now is 84.4 secs Computing kpt #: 28 total cpu time spent up to now is 87.3 secs Computing kpt #: 29 total cpu time spent up to now is 90.3 secs Computing kpt #: 30 total cpu time spent up to now is 93.3 secs Computing kpt #: 31 total cpu time spent up to now is 96.6 secs Computing kpt #: 32 total cpu time spent up to now is 99.5 secs Computing kpt #: 33 total cpu time spent up to now is 101.8 secs Computing kpt #: 34 total cpu time spent up to now is 104.1 secs Computing kpt #: 35 total cpu time spent up to now is 106.4 secs Computing kpt #: 36 total cpu time spent up to now is 108.6 secs Computing kpt #: 37 total cpu time spent up to now is 110.9 secs Computing kpt #: 38 total cpu time spent up to now is 112.8 secs Computing kpt #: 39 total cpu time spent up to now is 115.1 secs Computing kpt #: 40 total cpu time spent up to now is 116.9 secs Computing kpt #: 41 total cpu time spent up to now is 118.8 secs Computing kpt #: 42 total cpu time spent up to now is 120.7 secs Computing kpt #: 43 total cpu time spent up to now is 122.6 secs Computing kpt #: 44 total cpu time spent up to now is 124.4 secs Computing kpt #: 45 total cpu time spent up to now is 126.3 secs Computing kpt #: 46 total cpu time spent up to now is 128.2 secs Computing kpt #: 47 total cpu time spent up to now is 130.1 secs Computing kpt #: 48 total cpu time spent up to now is 132.0 secs Computing kpt #: 49 total cpu time spent up to now is 133.8 secs Computing kpt #: 50 total cpu time spent up to now is 135.7 secs Computing kpt #: 51 total cpu time spent up to now is 137.6 secs Computing kpt #: 52 total cpu time spent up to now is 139.4 secs Computing kpt #: 53 total cpu time spent up to now is 141.3 secs Computing kpt #: 54 total cpu time spent up to now is 143.2 secs Computing kpt #: 55 total cpu time spent up to now is 145.0 secs Computing kpt #: 56 total cpu time spent up to now is 146.9 secs Computing kpt #: 57 total cpu time spent up to now is 148.8 secs Computing kpt #: 58 total cpu time spent up to now is 150.6 secs Computing kpt #: 59 total cpu time spent up to now is 152.5 secs Computing kpt #: 60 total cpu time spent up to now is 154.4 secs Computing kpt #: 61 total cpu time spent up to now is 156.3 secs Computing kpt #: 62 total cpu time spent up to now is 158.2 secs Computing kpt #: 63 total cpu time spent up to now is 160.0 secs Computing kpt #: 64 total cpu time spent up to now is 161.9 secs Computing kpt #: 65 total cpu time spent up to now is 163.8 secs Computing kpt #: 66 total cpu time spent up to now is 166.1 secs Computing kpt #: 67 total cpu time spent up to now is 168.3 secs Computing kpt #: 68 total cpu time spent up to now is 170.5 secs Computing kpt #: 69 total cpu time spent up to now is 172.8 secs Computing kpt #: 70 total cpu time spent up to now is 175.1 secs Computing kpt #: 71 total cpu time spent up to now is 177.4 secs Computing kpt #: 72 total cpu time spent up to now is 179.6 secs Computing kpt #: 73 total cpu time spent up to now is 181.9 secs Computing kpt #: 74 total cpu time spent up to now is 184.2 secs Computing kpt #: 75 total cpu time spent up to now is 186.4 secs Computing kpt #: 76 total cpu time spent up to now is 188.3 secs Computing kpt #: 77 total cpu time spent up to now is 190.6 secs Computing kpt #: 78 total cpu time spent up to now is 192.9 secs Computing kpt #: 79 total cpu time spent up to now is 195.3 secs Computing kpt #: 80 total cpu time spent up to now is 197.6 secs Computing kpt #: 81 total cpu time spent up to now is 200.0 secs Computing kpt #: 82 total cpu time spent up to now is 202.3 secs Computing kpt #: 83 total cpu time spent up to now is 204.7 secs Computing kpt #: 84 total cpu time spent up to now is 207.1 secs Computing kpt #: 85 total cpu time spent up to now is 209.4 secs Computing kpt #: 86 total cpu time spent up to now is 211.8 secs Computing kpt #: 87 total cpu time spent up to now is 214.1 secs Computing kpt #: 88 total cpu time spent up to now is 217.0 secs Computing kpt #: 89 total cpu time spent up to now is 219.3 secs Computing kpt #: 90 total cpu time spent up to now is 221.6 secs Computing kpt #: 91 total cpu time spent up to now is 223.8 secs Computing kpt #: 92 total cpu time spent up to now is 226.1 secs Computing kpt #: 93 total cpu time spent up to now is 228.4 secs Computing kpt #: 94 total cpu time spent up to now is 230.3 secs Computing kpt #: 95 total cpu time spent up to now is 232.5 secs Computing kpt #: 96 total cpu time spent up to now is 234.5 secs Computing kpt #: 97 total cpu time spent up to now is 236.7 secs Computing kpt #: 98 total cpu time spent up to now is 239.1 secs Computing kpt #: 99 total cpu time spent up to now is 241.0 secs Computing kpt #: 100 total cpu time spent up to now is 242.9 secs Computing kpt #: 101 total cpu time spent up to now is 245.2 secs Computing kpt #: 102 total cpu time spent up to now is 247.4 secs Computing kpt #: 103 total cpu time spent up to now is 249.9 secs Computing kpt #: 104 total cpu time spent up to now is 252.1 secs Computing kpt #: 105 total cpu time spent up to now is 254.4 secs Computing kpt #: 106 total cpu time spent up to now is 257.2 secs Computing kpt #: 107 total cpu time spent up to now is 259.7 secs Computing kpt #: 108 total cpu time spent up to now is 262.6 secs Computing kpt #: 109 total cpu time spent up to now is 265.4 secs Computing kpt #: 110 total cpu time spent up to now is 268.3 secs Computing kpt #: 111 total cpu time spent up to now is 271.2 secs Computing kpt #: 112 total cpu time spent up to now is 274.7 secs Computing kpt #: 113 total cpu time spent up to now is 277.0 secs Computing kpt #: 114 total cpu time spent up to now is 279.9 secs Computing kpt #: 115 total cpu time spent up to now is 282.8 secs Computing kpt #: 116 total cpu time spent up to now is 285.2 secs Computing kpt #: 117 total cpu time spent up to now is 287.7 secs Computing kpt #: 118 total cpu time spent up to now is 290.6 secs Computing kpt #: 119 total cpu time spent up to now is 293.0 secs Computing kpt #: 120 total cpu time spent up to now is 295.4 secs Computing kpt #: 121 total cpu time spent up to now is 297.9 secs Computing kpt #: 122 total cpu time spent up to now is 300.4 secs Computing kpt #: 123 total cpu time spent up to now is 303.3 secs Computing kpt #: 124 total cpu time spent up to now is 306.2 secs Computing kpt #: 125 total cpu time spent up to now is 309.2 secs Computing kpt #: 126 total cpu time spent up to now is 312.4 secs Computing kpt #: 127 total cpu time spent up to now is 315.4 secs Computing kpt #: 128 total cpu time spent up to now is 318.4 secs Computing kpt #: 129 total cpu time spent up to now is 321.4 secs Computing kpt #: 130 total cpu time spent up to now is 324.4 secs Computing kpt #: 131 total cpu time spent up to now is 327.3 secs Computing kpt #: 132 total cpu time spent up to now is 330.2 secs Computing kpt #: 133 total cpu time spent up to now is 333.2 secs Computing kpt #: 134 total cpu time spent up to now is 335.5 secs Computing kpt #: 135 total cpu time spent up to now is 337.9 secs Computing kpt #: 136 total cpu time spent up to now is 340.4 secs Computing kpt #: 137 total cpu time spent up to now is 342.8 secs Computing kpt #: 138 total cpu time spent up to now is 345.2 secs Computing kpt #: 139 total cpu time spent up to now is 347.7 secs Computing kpt #: 140 total cpu time spent up to now is 350.1 secs Computing kpt #: 141 total cpu time spent up to now is 352.6 secs Computing kpt #: 142 total cpu time spent up to now is 355.1 secs Computing kpt #: 143 total cpu time spent up to now is 357.4 secs Computing kpt #: 144 total cpu time spent up to now is 359.9 secs Computing kpt #: 145 total cpu time spent up to now is 362.3 secs Computing kpt #: 146 total cpu time spent up to now is 365.3 secs Computing kpt #: 147 total cpu time spent up to now is 367.7 secs Computing kpt #: 148 total cpu time spent up to now is 370.7 secs Computing kpt #: 149 total cpu time spent up to now is 373.2 secs Computing kpt #: 150 total cpu time spent up to now is 375.7 secs Computing kpt #: 151 total cpu time spent up to now is 378.2 secs Computing kpt #: 152 total cpu time spent up to now is 381.0 secs Computing kpt #: 153 total cpu time spent up to now is 383.5 secs Computing kpt #: 154 total cpu time spent up to now is 385.9 secs Computing kpt #: 155 total cpu time spent up to now is 388.2 secs Computing kpt #: 156 total cpu time spent up to now is 390.5 secs Computing kpt #: 157 total cpu time spent up to now is 392.8 secs Computing kpt #: 158 total cpu time spent up to now is 395.0 secs Computing kpt #: 159 total cpu time spent up to now is 397.4 secs Computing kpt #: 160 total cpu time spent up to now is 399.9 secs Computing kpt #: 161 total cpu time spent up to now is 402.2 secs Computing kpt #: 162 total cpu time spent up to now is 404.5 secs Computing kpt #: 163 total cpu time spent up to now is 406.8 secs Computing kpt #: 164 total cpu time spent up to now is 409.2 secs Computing kpt #: 165 total cpu time spent up to now is 411.5 secs Computing kpt #: 166 total cpu time spent up to now is 413.9 secs Computing kpt #: 167 total cpu time spent up to now is 416.3 secs Computing kpt #: 168 total cpu time spent up to now is 418.6 secs Computing kpt #: 169 total cpu time spent up to now is 420.9 secs Computing kpt #: 170 total cpu time spent up to now is 423.2 secs Computing kpt #: 171 total cpu time spent up to now is 425.4 secs Computing kpt #: 172 total cpu time spent up to now is 427.7 secs Computing kpt #: 173 total cpu time spent up to now is 429.6 secs Computing kpt #: 174 total cpu time spent up to now is 431.8 secs Computing kpt #: 175 total cpu time spent up to now is 433.7 secs Computing kpt #: 176 total cpu time spent up to now is 435.6 secs Computing kpt #: 177 total cpu time spent up to now is 437.5 secs Computing kpt #: 178 total cpu time spent up to now is 439.4 secs Computing kpt #: 179 total cpu time spent up to now is 441.2 secs Computing kpt #: 180 total cpu time spent up to now is 443.1 secs Computing kpt #: 181 total cpu time spent up to now is 445.0 secs Computing kpt #: 182 total cpu time spent up to now is 447.2 secs Computing kpt #: 183 total cpu time spent up to now is 449.1 secs Computing kpt #: 184 total cpu time spent up to now is 451.0 secs Computing kpt #: 185 total cpu time spent up to now is 453.3 secs Computing kpt #: 186 total cpu time spent up to now is 455.5 secs Computing kpt #: 187 total cpu time spent up to now is 457.8 secs Computing kpt #: 188 total cpu time spent up to now is 460.2 secs Computing kpt #: 189 total cpu time spent up to now is 462.5 secs Computing kpt #: 190 total cpu time spent up to now is 464.8 secs Computing kpt #: 191 total cpu time spent up to now is 467.2 secs Computing kpt #: 192 total cpu time spent up to now is 469.5 secs Computing kpt #: 193 total cpu time spent up to now is 471.8 secs Computing kpt #: 194 total cpu time spent up to now is 474.2 secs Computing kpt #: 195 total cpu time spent up to now is 476.4 secs Computing kpt #: 196 total cpu time spent up to now is 478.7 secs Computing kpt #: 197 total cpu time spent up to now is 481.1 secs Computing kpt #: 198 total cpu time spent up to now is 483.5 secs Computing kpt #: 199 total cpu time spent up to now is 485.7 secs Computing kpt #: 200 total cpu time spent up to now is 488.1 secs Computing kpt #: 201 total cpu time spent up to now is 490.6 secs Computing kpt #: 202 total cpu time spent up to now is 492.9 secs Computing kpt #: 203 total cpu time spent up to now is 495.3 secs Computing kpt #: 204 total cpu time spent up to now is 497.6 secs Computing kpt #: 205 total cpu time spent up to now is 499.9 secs Computing kpt #: 206 total cpu time spent up to now is 502.4 secs Computing kpt #: 207 total cpu time spent up to now is 504.6 secs Computing kpt #: 208 total cpu time spent up to now is 506.9 secs Computing kpt #: 209 total cpu time spent up to now is 509.2 secs Computing kpt #: 210 total cpu time spent up to now is 511.6 secs Computing kpt #: 211 total cpu time spent up to now is 513.5 secs Computing kpt #: 212 total cpu time spent up to now is 515.8 secs Computing kpt #: 213 total cpu time spent up to now is 517.7 secs Computing kpt #: 214 total cpu time spent up to now is 519.9 secs Computing kpt #: 215 total cpu time spent up to now is 522.1 secs Computing kpt #: 216 total cpu time spent up to now is 524.4 secs Computing kpt #: 217 total cpu time spent up to now is 526.7 secs Computing kpt #: 218 total cpu time spent up to now is 528.9 secs Computing kpt #: 219 total cpu time spent up to now is 530.8 secs Computing kpt #: 220 total cpu time spent up to now is 532.6 secs Computing kpt #: 221 total cpu time spent up to now is 534.8 secs Computing kpt #: 222 total cpu time spent up to now is 536.7 secs Computing kpt #: 223 total cpu time spent up to now is 538.6 secs Computing kpt #: 224 total cpu time spent up to now is 540.5 secs Computing kpt #: 225 total cpu time spent up to now is 542.7 secs Computing kpt #: 226 total cpu time spent up to now is 544.6 secs Computing kpt #: 227 total cpu time spent up to now is 546.5 secs Computing kpt #: 228 total cpu time spent up to now is 548.4 secs Computing kpt #: 229 total cpu time spent up to now is 550.2 secs Computing kpt #: 230 total cpu time spent up to now is 552.1 secs Computing kpt #: 231 total cpu time spent up to now is 554.3 secs Computing kpt #: 232 total cpu time spent up to now is 556.2 secs Computing kpt #: 233 total cpu time spent up to now is 558.0 secs Computing kpt #: 234 total cpu time spent up to now is 559.9 secs Computing kpt #: 235 total cpu time spent up to now is 561.8 secs Computing kpt #: 236 total cpu time spent up to now is 563.7 secs Computing kpt #: 237 total cpu time spent up to now is 565.6 secs Computing kpt #: 238 total cpu time spent up to now is 567.5 secs Computing kpt #: 239 total cpu time spent up to now is 569.4 secs Computing kpt #: 240 total cpu time spent up to now is 571.3 secs Computing kpt #: 241 total cpu time spent up to now is 573.5 secs Computing kpt #: 242 total cpu time spent up to now is 575.7 secs Computing kpt #: 243 total cpu time spent up to now is 578.0 secs Computing kpt #: 244 total cpu time spent up to now is 579.9 secs Computing kpt #: 245 total cpu time spent up to now is 582.2 secs Computing kpt #: 246 total cpu time spent up to now is 584.5 secs Computing kpt #: 247 total cpu time spent up to now is 587.0 secs Computing kpt #: 248 total cpu time spent up to now is 589.4 secs Computing kpt #: 249 total cpu time spent up to now is 592.2 secs Computing kpt #: 250 total cpu time spent up to now is 595.1 secs Computing kpt #: 251 total cpu time spent up to now is 598.0 secs Computing kpt #: 252 total cpu time spent up to now is 601.0 secs Computing kpt #: 253 total cpu time spent up to now is 604.0 secs Computing kpt #: 254 total cpu time spent up to now is 607.9 secs Computing kpt #: 255 total cpu time spent up to now is 612.1 secs Computing kpt #: 256 total cpu time spent up to now is 615.6 secs Computing kpt #: 257 total cpu time spent up to now is 618.5 secs Computing kpt #: 258 total cpu time spent up to now is 621.4 secs Computing kpt #: 259 total cpu time spent up to now is 624.3 secs Computing kpt #: 260 total cpu time spent up to now is 627.2 secs Computing kpt #: 261 total cpu time spent up to now is 630.1 secs Computing kpt #: 262 total cpu time spent up to now is 633.1 secs Computing kpt #: 263 total cpu time spent up to now is 635.5 secs Computing kpt #: 264 total cpu time spent up to now is 637.8 secs Computing kpt #: 265 total cpu time spent up to now is 640.3 secs Computing kpt #: 266 total cpu time spent up to now is 642.1 secs Computing kpt #: 267 total cpu time spent up to now is 644.0 secs Computing kpt #: 268 total cpu time spent up to now is 645.9 secs Computing kpt #: 269 total cpu time spent up to now is 647.7 secs Computing kpt #: 270 total cpu time spent up to now is 649.6 secs Computing kpt #: 271 total cpu time spent up to now is 651.5 secs Computing kpt #: 272 total cpu time spent up to now is 653.3 secs Computing kpt #: 273 total cpu time spent up to now is 655.2 secs Computing kpt #: 274 total cpu time spent up to now is 657.1 secs Computing kpt #: 275 total cpu time spent up to now is 658.9 secs Computing kpt #: 276 total cpu time spent up to now is 660.8 secs Computing kpt #: 277 total cpu time spent up to now is 662.7 secs ethr = 2.00E-08, avg # of iterations = 30.6 total cpu time spent up to now is 662.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6227 PWs) bands (ev): -20.2970 -20.2970 -20.2912 -20.2912 -10.7182 -10.7182 -10.4464 -10.4464 -9.0173 -9.0173 -6.7902 -6.7902 -6.7181 -6.7181 -4.8537 -4.8537 -4.7507 -4.7507 -4.7030 -4.7030 -4.7003 -4.7003 1.7840 1.7840 2.5544 2.5544 2.9664 2.9664 3.0347 3.0347 3.1886 3.1886 3.3658 3.3658 3.6919 3.6919 3.9652 3.9652 4.1278 4.1278 4.4139 4.4139 4.8047 4.8047 5.0278 5.0278 5.8320 5.8320 5.9236 5.9236 8.5822 8.5822 9.6087 9.6087 10.6703 10.6703 11.0425 11.0425 11.0591 11.0591 k = 0.0116-0.0256-0.0152 ( 6213 PWs) bands (ev): -20.2969 -20.2969 -20.2911 -20.2911 -10.7186 -10.7186 -10.4469 -10.4469 -9.0171 -9.0171 -6.7910 -6.7910 -6.7174 -6.7174 -4.8550 -4.8550 -4.7508 -4.7508 -4.7026 -4.7026 -4.6999 -4.6999 1.7843 1.7843 2.5530 2.5530 2.9674 2.9674 3.0351 3.0351 3.1895 3.1895 3.3661 3.3661 3.6918 3.6918 3.9639 3.9639 4.1258 4.1258 4.4159 4.4159 4.8048 4.8048 5.0279 5.0279 5.8324 5.8324 5.9240 5.9240 8.5847 8.5847 9.6106 9.6106 10.6695 10.6695 11.0435 11.0435 11.0600 11.0600 k = 0.0233-0.0512-0.0305 ( 6228 PWs) bands (ev): -20.2966 -20.2966 -20.2907 -20.2907 -10.7200 -10.7200 -10.4484 -10.4484 -9.0167 -9.0167 -6.7932 -6.7932 -6.7154 -6.7154 -4.8587 -4.8587 -4.7514 -4.7514 -4.7013 -4.7013 -4.6984 -4.6984 1.7850 1.7850 2.5490 2.5490 2.9704 2.9704 3.0364 3.0364 3.1921 3.1921 3.3673 3.3673 3.6917 3.6917 3.9601 3.9601 4.1201 4.1201 4.4217 4.4217 4.8049 4.8049 5.0280 5.0280 5.8335 5.8335 5.9249 5.9249 8.5920 8.5920 9.6162 9.6162 10.6671 10.6671 11.0459 11.0459 11.0626 11.0626 k = 0.0349-0.0768-0.0457 ( 6234 PWs) bands (ev): -20.2960 -20.2960 -20.2902 -20.2902 -10.7222 -10.7222 -10.4509 -10.4509 -9.0160 -9.0160 -6.7967 -6.7967 -6.7123 -6.7123 -4.8643 -4.8643 -4.7528 -4.7528 -4.6996 -4.6996 -4.6954 -4.6954 1.7863 1.7863 2.5425 2.5425 2.9751 2.9751 3.0384 3.0384 3.1965 3.1965 3.3691 3.3691 3.6913 3.6913 3.9536 3.9536 4.1118 4.1118 4.4307 4.4307 4.8052 4.8052 5.0283 5.0283 5.8353 5.8353 5.9266 5.9266 8.6041 8.6041 9.6254 9.6254 10.6632 10.6632 11.0483 11.0483 11.0675 11.0675 k = 0.0465-0.1023-0.0609 ( 6236 PWs) bands (ev): -20.2952 -20.2952 -20.2894 -20.2894 -10.7253 -10.7253 -10.4543 -10.4543 -9.0150 -9.0150 -6.8010 -6.8010 -6.7084 -6.7084 -4.8715 -4.8715 -4.7552 -4.7552 -4.6982 -4.6982 -4.6907 -4.6907 1.7881 1.7881 2.5342 2.5342 2.9810 2.9810 3.0409 3.0409 3.2025 3.2025 3.3716 3.3716 3.6909 3.6909 3.9439 3.9439 4.1019 4.1019 4.4424 4.4424 4.8056 4.8056 5.0287 5.0287 5.8379 5.8379 5.9288 5.9288 8.6208 8.6208 9.6381 9.6381 10.6578 10.6578 11.0483 11.0483 11.0756 11.0756 k = 0.0581-0.1279-0.0762 ( 6239 PWs) bands (ev): -20.2942 -20.2942 -20.2885 -20.2885 -10.7293 -10.7293 -10.4588 -10.4588 -9.0137 -9.0137 -6.8060 -6.8060 -6.7042 -6.7042 -4.8798 -4.8798 -4.7587 -4.7587 -4.6969 -4.6969 -4.6845 -4.6845 1.7904 1.7904 2.5244 2.5244 2.9879 2.9879 3.0437 3.0437 3.2102 3.2102 3.3749 3.3749 3.6904 3.6904 3.9310 3.9310 4.0919 4.0919 4.4561 4.4561 4.8061 4.8061 5.0291 5.0291 5.8412 5.8412 5.9317 5.9317 8.6417 8.6417 9.6540 9.6540 10.6510 10.6510 11.0441 11.0441 11.0870 11.0870 k = 0.0698-0.1535-0.0914 ( 6229 PWs) bands (ev): -20.2930 -20.2930 -20.2873 -20.2873 -10.7341 -10.7341 -10.4641 -10.4641 -9.0121 -9.0121 -6.8112 -6.8112 -6.6997 -6.6997 -4.8887 -4.8887 -4.7632 -4.7632 -4.6959 -4.6959 -4.6774 -4.6774 1.7932 1.7932 2.5138 2.5138 2.9953 2.9953 3.0463 3.0463 3.2192 3.2192 3.3787 3.3787 3.6897 3.6897 3.9150 3.9150 4.0827 4.0827 4.4714 4.4714 4.8067 4.8067 5.0297 5.0297 5.8452 5.8452 5.9352 5.9352 8.6666 8.6666 9.6727 9.6727 10.6425 10.6425 11.0355 11.0355 11.1015 11.1015 k = 0.0814-0.1791-0.1066 ( 6233 PWs) bands (ev): -20.2915 -20.2915 -20.2859 -20.2859 -10.7398 -10.7398 -10.4704 -10.4704 -9.0102 -9.0102 -6.8167 -6.8167 -6.6953 -6.6953 -4.8980 -4.8980 -4.7685 -4.7685 -4.6952 -4.6952 -4.6696 -4.6696 1.7963 1.7963 2.5027 2.5027 3.0031 3.0031 3.0486 3.0486 3.2293 3.2293 3.3829 3.3829 3.6890 3.6890 3.8963 3.8963 4.0749 4.0749 4.4880 4.4880 4.8074 4.8074 5.0305 5.0305 5.8497 5.8497 5.9391 5.9391 8.6949 8.6949 9.6940 9.6940 10.6319 10.6319 11.0237 11.0237 11.1184 11.1184 k = 0.0930-0.2047-0.1219 ( 6227 PWs) bands (ev): -20.2899 -20.2899 -20.2843 -20.2843 -10.7462 -10.7462 -10.4775 -10.4775 -9.0080 -9.0080 -6.8221 -6.8221 -6.6910 -6.6910 -4.9075 -4.9075 -4.7745 -4.7745 -4.6948 -4.6948 -4.6617 -4.6617 1.8000 1.8000 2.4917 2.4917 3.0109 3.0109 3.0504 3.0504 3.2398 3.2398 3.3874 3.3874 3.6882 3.6882 3.8758 3.8758 4.0688 4.0688 4.5055 4.5055 4.8083 4.8083 5.0313 5.0313 5.8547 5.8547 5.9436 5.9436 8.7263 8.7263 9.7173 9.7173 10.6188 10.6188 11.0105 11.0105 11.1373 11.1373 k = 0.1047-0.2303-0.1371 ( 6233 PWs) bands (ev): -20.2881 -20.2881 -20.2826 -20.2826 -10.7534 -10.7534 -10.4855 -10.4855 -9.0055 -9.0055 -6.8275 -6.8275 -6.6869 -6.6869 -4.9170 -4.9170 -4.7811 -4.7811 -4.6946 -4.6946 -4.6537 -4.6537 1.8040 1.8040 2.4812 2.4812 3.0186 3.0186 3.0516 3.0516 3.2502 3.2502 3.3918 3.3918 3.6873 3.6873 3.8548 3.8548 4.0643 4.0643 4.5238 4.5238 4.8093 4.8093 5.0323 5.0323 5.8602 5.8602 5.9486 5.9486 8.7601 8.7601 9.7422 9.7422 10.6023 10.6023 10.9979 10.9979 11.1575 11.1575 k = 0.1163-0.2559-0.1523 ( 6229 PWs) bands (ev): -20.2861 -20.2861 -20.2807 -20.2807 -10.7613 -10.7613 -10.4943 -10.4943 -9.0026 -9.0026 -6.8328 -6.8328 -6.6832 -6.6832 -4.9263 -4.9263 -4.7882 -4.7882 -4.6948 -4.6948 -4.6460 -4.6460 1.8083 1.8083 2.4713 2.4713 3.0257 3.0257 3.0523 3.0523 3.2598 3.2598 3.3958 3.3958 3.6864 3.6864 3.8346 3.8346 4.0614 4.0614 4.5429 4.5429 4.8104 4.8104 5.0335 5.0335 5.8661 5.8661 5.9541 5.9541 8.7958 8.7958 9.7681 9.7681 10.5818 10.5818 10.9874 10.9874 11.1776 11.1777 k = 0.1279-0.2814-0.1676 ( 6244 PWs) bands (ev): -20.2839 -20.2839 -20.2786 -20.2786 -10.7699 -10.7699 -10.5038 -10.5038 -8.9995 -8.9995 -6.8378 -6.8378 -6.6800 -6.6800 -4.9355 -4.9355 -4.7957 -4.7957 -4.6952 -4.6952 -4.6385 -4.6385 1.8129 1.8129 2.4625 2.4625 3.0312 3.0312 3.0534 3.0534 3.2679 3.2679 3.3989 3.3989 3.6854 3.6854 3.8169 3.8169 4.0599 4.0599 4.5627 4.5627 4.8118 4.8118 5.0348 5.0348 5.8723 5.8723 5.9600 5.9600 8.8327 8.8327 9.7945 9.7945 10.5568 10.5568 10.9802 10.9802 11.1929 11.1929 k = 0.1395-0.3070-0.1828 ( 6250 PWs) bands (ev): -20.2815 -20.2815 -20.2763 -20.2763 -10.7791 -10.7791 -10.5140 -10.5140 -8.9960 -8.9960 -6.8425 -6.8425 -6.6772 -6.6772 -4.9442 -4.9442 -4.8036 -4.8036 -4.6959 -4.6959 -4.6316 -4.6316 1.8178 1.8178 2.4548 2.4548 3.0333 3.0333 3.0566 3.0566 3.2737 3.2737 3.4010 3.4010 3.6843 3.6843 3.8028 3.8028 4.0597 4.0597 4.5831 4.5831 4.8134 4.8134 5.0363 5.0363 5.8787 5.8787 5.9664 5.9664 8.8701 8.8701 9.8207 9.8207 10.5271 10.5271 10.9771 10.9771 11.2008 11.2008 k = 0.1512-0.3326-0.1980 ( 6259 PWs) bands (ev): -20.2790 -20.2790 -20.2740 -20.2740 -10.7889 -10.7889 -10.5249 -10.5249 -8.9922 -8.9922 -6.8470 -6.8470 -6.6749 -6.6749 -4.9526 -4.9526 -4.8117 -4.8117 -4.6968 -4.6968 -4.6251 -4.6251 1.8228 1.8228 2.4485 2.4485 3.0311 3.0311 3.0622 3.0622 3.2765 3.2765 3.4020 3.4020 3.6828 3.6828 3.7938 3.7938 4.0607 4.0607 4.6041 4.6041 4.8153 4.8153 5.0380 5.0380 5.8854 5.8854 5.9734 5.9734 8.9071 8.9071 9.8460 9.8460 10.4931 10.4931 10.9783 10.9783 11.2053 11.2053 k = 0.1628-0.3582-0.2133 ( 6259 PWs) bands (ev): -20.2764 -20.2764 -20.2714 -20.2714 -10.7993 -10.7993 -10.5363 -10.5363 -8.9881 -8.9881 -6.8511 -6.8511 -6.6732 -6.6732 -4.9606 -4.9606 -4.8202 -4.8202 -4.6981 -4.6981 -4.6193 -4.6193 1.8280 1.8280 2.4438 2.4438 3.0254 3.0254 3.0694 3.0694 3.2757 3.2757 3.4025 3.4025 3.6808 3.6808 3.7904 3.7904 4.0630 4.0630 4.6254 4.6254 4.8178 4.8178 5.0400 5.0400 5.8922 5.8922 5.9808 5.9808 8.9430 8.9430 9.8698 9.8698 10.4556 10.4556 10.9836 10.9836 11.2076 11.2077 k = 0.1744-0.3838-0.2285 ( 6258 PWs) bands (ev): -20.2736 -20.2736 -20.2688 -20.2688 -10.8101 -10.8101 -10.5483 -10.5483 -8.9837 -8.9837 -6.8548 -6.8548 -6.6720 -6.6720 -4.9681 -4.9681 -4.8288 -4.8288 -4.6995 -4.6995 -4.6140 -4.6140 1.8332 1.8332 2.4406 2.4406 3.0167 3.0167 3.0771 3.0771 3.2710 3.2710 3.4032 3.4032 3.6780 3.6780 3.7929 3.7929 4.0664 4.0664 4.6469 4.6469 4.8210 4.8210 5.0422 5.0422 5.8991 5.8991 5.9887 5.9887 8.9770 8.9770 9.8913 9.8913 10.4159 10.4159 10.9927 10.9927 11.2082 11.2082 k = 0.1860-0.4094-0.2437 ( 6261 PWs) bands (ev): -20.2707 -20.2707 -20.2661 -20.2661 -10.8214 -10.8214 -10.5608 -10.5608 -8.9789 -8.9789 -6.8582 -6.8582 -6.6714 -6.6714 -4.9751 -4.9751 -4.8377 -4.8377 -4.7012 -4.7012 -4.6095 -4.6095 1.8384 1.8384 2.4390 2.4390 3.0050 3.0050 3.0849 3.0849 3.2631 3.2631 3.4048 3.4048 3.6746 3.6746 3.8006 3.8006 4.0710 4.0710 4.6682 4.6682 4.8252 4.8252 5.0446 5.0446 5.9060 5.9060 5.9971 5.9971 9.0082 9.0082 9.9098 9.9098 10.3754 10.3754 11.0048 11.0048 11.2071 11.2071 k = 0.1977-0.4350-0.2590 ( 6261 PWs) bands (ev): -20.2678 -20.2678 -20.2632 -20.2632 -10.8330 -10.8330 -10.5736 -10.5736 -8.9739 -8.9739 -6.8612 -6.8612 -6.6714 -6.6714 -4.9816 -4.9816 -4.8466 -4.8466 -4.7031 -4.7031 -4.6056 -4.6056 1.8435 1.8435 2.4391 2.4391 2.9901 2.9901 3.0925 3.0925 3.2528 3.2528 3.4074 3.4074 3.6704 3.6704 3.8126 3.8126 4.0767 4.0767 4.6888 4.6888 4.8308 4.8308 5.0475 5.0475 5.9128 5.9128 6.0061 6.0061 9.0356 9.0356 9.9244 9.9244 10.3360 10.3360 11.0194 11.0194 11.2049 11.2049 k = 0.2093-0.4605-0.2742 ( 6261 PWs) bands (ev): -20.2647 -20.2647 -20.2603 -20.2603 -10.8449 -10.8449 -10.5868 -10.5868 -8.9687 -8.9687 -6.8638 -6.8638 -6.6721 -6.6721 -4.9875 -4.9875 -4.8557 -4.8557 -4.7052 -4.7052 -4.6025 -4.6025 1.8484 1.8484 2.4408 2.4408 2.9720 2.9720 3.0997 3.0997 3.2417 3.2417 3.4111 3.4111 3.6656 3.6656 3.8281 3.8281 4.0836 4.0836 4.7080 4.7080 4.8386 4.8386 5.0506 5.0506 5.9197 5.9197 6.0155 6.0155 9.0584 9.0584 9.9341 9.9341 10.2996 10.2996 11.0354 11.0354 11.2020 11.2020 k = 0.2209-0.4861-0.2894 ( 6264 PWs) bands (ev): -20.2616 -20.2616 -20.2574 -20.2574 -10.8570 -10.8570 -10.6002 -10.6002 -8.9631 -8.9631 -6.8660 -6.8660 -6.6732 -6.6732 -4.9929 -4.9929 -4.8648 -4.8648 -4.7075 -4.7075 -4.5999 -4.5999 1.8530 1.8530 2.4441 2.4441 2.9507 2.9507 3.1064 3.1064 3.2309 3.2309 3.4156 3.4156 3.6602 3.6602 3.8460 3.8460 4.0915 4.0915 4.7250 4.7250 4.8492 4.8492 5.0543 5.0543 5.9264 5.9264 6.0255 6.0255 9.0758 9.0758 9.9383 9.9383 10.2683 10.2683 11.0518 11.0518 11.1989 11.1989 k = 0.2326-0.5117-0.3047 ( 6268 PWs) bands (ev): -20.2585 -20.2585 -20.2544 -20.2544 -10.8693 -10.8693 -10.6139 -10.6139 -8.9574 -8.9574 -6.8678 -6.8678 -6.6750 -6.6750 -4.9978 -4.9978 -4.8739 -4.8739 -4.7100 -4.7100 -4.5981 -4.5981 1.8573 1.8573 2.4488 2.4488 2.9266 2.9266 3.1125 3.1125 3.2214 3.2214 3.4207 3.4207 3.6542 3.6542 3.8655 3.8655 4.1004 4.1004 4.7389 4.7389 4.8632 4.8632 5.0585 5.0585 5.9332 5.9332 6.0359 6.0359 9.0870 9.0870 9.9363 9.9363 10.2437 10.2437 11.0675 11.0675 11.1963 11.1963 k = 0.2442-0.5373-0.3199 ( 6267 PWs) bands (ev): -20.2553 -20.2553 -20.2513 -20.2513 -10.8816 -10.8816 -10.6276 -10.6276 -8.9514 -8.9514 -6.8693 -6.8693 -6.6773 -6.6773 -5.0021 -5.0021 -4.8830 -4.8830 -4.7126 -4.7126 -4.5968 -4.5968 1.8612 1.8612 2.4547 2.4547 2.9005 2.9005 3.1177 3.1177 3.2138 3.2138 3.4262 3.4262 3.6476 3.6476 3.8862 3.8862 4.1102 4.1102 4.7496 4.7496 4.8805 4.8805 5.0634 5.0634 5.9400 5.9400 6.0467 6.0467 9.0915 9.0915 9.9283 9.9283 10.2267 10.2267 11.0814 11.0814 11.1945 11.1945 k = 0.2558-0.5629-0.3351 ( 6271 PWs) bands (ev): -20.2521 -20.2521 -20.2483 -20.2483 -10.8940 -10.8940 -10.6414 -10.6414 -8.9453 -8.9453 -6.8704 -6.8704 -6.6801 -6.6801 -5.0059 -5.0059 -4.8920 -4.8920 -4.7154 -4.7154 -4.5962 -4.5962 1.8647 1.8647 2.4615 2.4615 2.8730 2.8730 3.1220 3.1220 3.2082 3.2082 3.4321 3.4321 3.6405 3.6405 3.9074 3.9074 4.1208 4.1208 4.7574 4.7574 4.9006 4.9006 5.0694 5.0694 5.9468 5.9468 6.0578 6.0578 9.0888 9.0888 9.9156 9.9156 10.2169 10.2169 11.0923 11.0923 11.1938 11.1938 k = 0.2674-0.5885-0.3504 ( 6275 PWs) bands (ev): -20.2489 -20.2489 -20.2452 -20.2452 -10.9064 -10.9064 -10.6552 -10.6552 -8.9390 -8.9390 -6.8711 -6.8711 -6.6834 -6.6834 -5.0093 -5.0093 -4.9008 -4.9008 -4.7184 -4.7184 -4.5960 -4.5960 1.8676 1.8676 2.4688 2.4688 2.8453 2.8453 3.1253 3.1253 3.2046 3.2046 3.4382 3.4382 3.6327 3.6327 3.9288 3.9288 4.1321 4.1321 4.7627 4.7627 4.9222 4.9222 5.0766 5.0766 5.9537 5.9537 6.0692 6.0692 9.0791 9.0791 9.8997 9.8997 10.2134 10.2134 11.0994 11.0994 11.1943 11.1943 k = 0.2791-0.6140-0.3656 ( 6271 PWs) bands (ev): -20.2457 -20.2457 -20.2422 -20.2422 -10.9186 -10.9186 -10.6689 -10.6689 -8.9326 -8.9326 -6.8714 -6.8714 -6.6872 -6.6872 -5.0121 -5.0121 -4.9095 -4.9095 -4.7216 -4.7216 -4.5963 -4.5963 1.8701 1.8701 2.4761 2.4761 2.8182 2.8182 3.1274 3.1274 3.2031 3.2031 3.4445 3.4445 3.6243 3.6243 3.9500 3.9500 4.1440 4.1440 4.7664 4.7664 4.9440 4.9440 5.0858 5.0858 5.9608 5.9608 6.0807 6.0807 9.0627 9.0627 9.8825 9.8825 10.2147 10.2147 11.1020 11.1020 11.1955 11.1955 k = 0.2907-0.6396-0.3808 ( 6275 PWs) bands (ev): -20.2425 -20.2425 -20.2392 -20.2392 -10.9306 -10.9306 -10.6824 -10.6824 -8.9262 -8.9262 -6.8714 -6.8714 -6.6914 -6.6914 -5.0145 -5.0145 -4.9180 -4.9180 -4.7249 -4.7249 -4.5970 -4.5970 1.8721 1.8721 2.4827 2.4827 2.7931 2.7931 3.1286 3.1286 3.2033 3.2033 3.4508 3.4508 3.6153 3.6153 3.9709 3.9709 4.1564 4.1564 4.7688 4.7688 4.9649 4.9649 5.0974 5.0974 5.9680 5.9680 6.0924 6.0924 9.0402 9.0402 9.8650 9.8650 10.2195 10.2195 11.0999 11.0999 11.1966 11.1966 k = 0.3023-0.6652-0.3961 ( 6272 PWs) bands (ev): -20.2394 -20.2394 -20.2363 -20.2363 -10.9425 -10.9425 -10.6957 -10.6957 -8.9197 -8.9197 -6.8711 -6.8711 -6.6959 -6.6959 -5.0165 -5.0165 -4.9262 -4.9262 -4.7284 -4.7284 -4.5981 -4.5981 1.8735 1.8735 2.4878 2.4878 2.7710 2.7710 3.1288 3.1288 3.2049 3.2049 3.4572 3.4572 3.6057 3.6057 3.9911 3.9911 4.1691 4.1691 4.7703 4.7703 4.9836 4.9836 5.1122 5.1122 5.9754 5.9754 6.1041 6.1041 9.0127 9.0127 9.8482 9.8482 10.2268 10.2268 11.0929 11.0929 11.1971 11.1971 k = 0.3140-0.6908-0.4113 ( 6274 PWs) bands (ev): -20.2364 -20.2364 -20.2335 -20.2335 -10.9540 -10.9540 -10.7086 -10.7086 -8.9133 -8.9133 -6.8704 -6.8704 -6.7008 -6.7008 -5.0181 -5.0181 -4.9341 -4.9341 -4.7321 -4.7321 -4.5994 -4.5994 1.8743 1.8743 2.4903 2.4903 2.7531 2.7531 3.1284 3.1284 3.2078 3.2078 3.4634 3.4634 3.5957 3.5957 4.0106 4.0106 4.1819 4.1819 4.7711 4.7711 4.9993 4.9993 5.1304 5.1304 5.9831 5.9831 6.1157 6.1157 8.9810 8.9810 9.8322 9.8322 10.2361 10.2361 11.0810 11.0810 11.1969 11.1969 k = 0.3256-0.7164-0.4265 ( 6271 PWs) bands (ev): -20.2334 -20.2334 -20.2307 -20.2307 -10.9651 -10.9651 -10.7212 -10.7212 -8.9069 -8.9069 -6.8695 -6.8695 -6.7059 -6.7059 -5.0194 -5.0194 -4.9416 -4.9416 -4.7359 -4.7359 -4.6009 -4.6009 1.8746 1.8746 2.4894 2.4894 2.7406 2.7406 3.1276 3.1276 3.2116 3.2116 3.4695 3.4695 3.5853 3.5853 4.0291 4.0291 4.1948 4.1948 4.7714 4.7714 5.0119 5.0119 5.1517 5.1517 5.9910 5.9910 6.1271 6.1271 8.9465 8.9465 9.8171 9.8171 10.2467 10.2467 11.0642 11.0642 11.1963 11.1963 k = 0.3372-0.7420-0.4418 ( 6271 PWs) bands (ev): -20.2306 -20.2306 -20.2280 -20.2280 -10.9758 -10.9758 -10.7333 -10.7333 -8.9007 -8.9007 -6.8682 -6.8682 -6.7113 -6.7113 -5.0204 -5.0204 -4.9486 -4.9486 -4.7399 -4.7399 -4.6026 -4.6026 1.8744 1.8744 2.4847 2.4847 2.7338 2.7338 3.1264 3.1264 3.2161 3.2161 3.4753 3.4753 3.5746 3.5746 4.0465 4.0465 4.2075 4.2075 4.7714 4.7714 5.0219 5.0219 5.1754 5.1754 5.9992 5.9992 6.1383 6.1383 8.9100 8.9100 9.8027 9.8027 10.2582 10.2582 11.0428 11.0428 11.1955 11.1955 k = 0.3488-0.7676-0.4570 ( 6263 PWs) bands (ev): -20.2279 -20.2279 -20.2255 -20.2255 -10.9860 -10.9860 -10.7449 -10.7449 -8.8946 -8.8946 -6.8667 -6.8667 -6.7168 -6.7168 -5.0211 -5.0211 -4.9552 -4.9552 -4.7440 -4.7440 -4.6043 -4.6043 1.8737 1.8737 2.4763 2.4763 2.7325 2.7325 3.1251 3.1251 3.2212 3.2212 3.4806 3.4806 3.5639 3.5639 4.0629 4.0629 4.2200 4.2200 4.7711 4.7711 5.0298 5.0298 5.2005 5.2005 6.0075 6.0075 6.1492 6.1492 8.8727 8.8727 9.7892 9.7892 10.2705 10.2705 11.0171 11.0171 11.1941 11.1941 k = 0.3605-0.7931-0.4722 ( 6267 PWs) bands (ev): -20.2253 -20.2253 -20.2230 -20.2230 -10.9957 -10.9957 -10.7559 -10.7559 -8.8887 -8.8887 -6.8650 -6.8650 -6.7225 -6.7225 -5.0217 -5.0217 -4.9612 -4.9612 -4.7482 -4.7482 -4.6061 -4.6061 1.8725 1.8725 2.4651 2.4651 2.7359 2.7359 3.1238 3.1238 3.2267 3.2267 3.4850 3.4850 3.5534 3.5534 4.0780 4.0780 4.2320 4.2320 4.7706 4.7706 5.0361 5.0361 5.2262 5.2262 6.0160 6.0160 6.1596 6.1596 8.8354 8.8354 9.7763 9.7763 10.2834 10.2834 10.9876 10.9876 11.1906 11.1907 k = 0.3721-0.8187-0.4875 ( 6274 PWs) bands (ev): -20.2228 -20.2228 -20.2208 -20.2208 -11.0048 -11.0048 -10.7663 -10.7663 -8.8831 -8.8831 -6.8630 -6.8630 -6.7282 -6.7282 -5.0223 -5.0223 -4.9665 -4.9665 -4.7524 -4.7524 -4.6078 -4.6078 1.8710 1.8710 2.4521 2.4521 2.7429 2.7429 3.1226 3.1226 3.2326 3.2326 3.4882 3.4882 3.5438 3.5438 4.0919 4.0919 4.2436 4.2436 4.7700 4.7700 5.0413 5.0413 5.2518 5.2518 6.0246 6.0246 6.1696 6.1696 8.7988 8.7988 9.7640 9.7640 10.2968 10.2968 10.9548 10.9548 11.1816 11.1816 k = 0.3837-0.8443-0.5027 ( 6274 PWs) bands (ev): -20.2206 -20.2206 -20.2187 -20.2187 -11.0133 -11.0133 -10.7759 -10.7759 -8.8778 -8.8778 -6.8608 -6.8608 -6.7339 -6.7339 -5.0228 -5.0228 -4.9712 -4.9712 -4.7567 -4.7567 -4.6094 -4.6094 1.8691 1.8691 2.4383 2.4383 2.7521 2.7521 3.1215 3.1215 3.2387 3.2387 3.4891 3.4891 3.5360 3.5360 4.1044 4.1044 4.2545 4.2545 4.7692 4.7692 5.0456 5.0456 5.2767 5.2767 6.0332 6.0332 6.1790 6.1790 8.7636 8.7636 9.7523 9.7523 10.3107 10.3107 10.9193 10.9193 11.1654 11.1654 k = 0.3953-0.8699-0.5179 ( 6277 PWs) bands (ev): -20.2184 -20.2184 -20.2167 -20.2167 -11.0211 -11.0211 -10.7849 -10.7849 -8.8728 -8.8728 -6.8585 -6.8585 -6.7396 -6.7396 -5.0235 -5.0235 -4.9751 -4.9751 -4.7609 -4.7609 -4.6109 -4.6109 1.8670 1.8670 2.4246 2.4246 2.7627 2.7627 3.1207 3.1207 3.2450 3.2450 3.4869 3.4869 3.5310 3.5310 4.1157 4.1157 4.2646 4.2646 4.7684 4.7684 5.0492 5.0492 5.3005 5.3005 6.0417 6.0417 6.1877 6.1877 8.7303 8.7303 9.7413 9.7413 10.3253 10.3253 10.8817 10.8817 11.1449 11.1449 k = 0.4070-0.8955-0.5332 ( 6275 PWs) bands (ev): -20.2165 -20.2165 -20.2149 -20.2149 -11.0282 -11.0282 -10.7930 -10.7930 -8.8683 -8.8683 -6.8560 -6.8560 -6.7451 -6.7451 -5.0242 -5.0242 -4.9782 -4.9782 -4.7650 -4.7650 -4.6124 -4.6124 1.8647 1.8647 2.4115 2.4115 2.7737 2.7737 3.1200 3.1200 3.2514 3.2514 3.4812 3.4812 3.5292 3.5292 4.1256 4.1256 4.2739 4.2739 4.7676 4.7676 5.0523 5.0523 5.3227 5.3227 6.0499 6.0499 6.1958 6.1958 8.6994 8.6994 9.7311 9.7311 10.3407 10.3407 10.8426 10.8426 11.1229 11.1229 k = 0.4186-0.9211-0.5484 ( 6272 PWs) bands (ev): -20.2148 -20.2148 -20.2134 -20.2134 -11.0345 -11.0345 -10.8002 -10.8002 -8.8641 -8.8641 -6.8535 -6.8535 -6.7504 -6.7504 -5.0251 -5.0251 -4.9806 -4.9806 -4.7689 -4.7689 -4.6136 -4.6136 1.8623 1.8623 2.3995 2.3995 2.7846 2.7846 3.1196 3.1196 3.2578 3.2578 3.4733 3.4733 3.5297 3.5297 4.1342 4.1342 4.2823 4.2823 4.7668 4.7668 5.0549 5.0549 5.3431 5.3431 6.0577 6.0577 6.2030 6.2030 8.6712 8.6712 9.7217 9.7217 10.3571 10.3571 10.8025 10.8025 11.1013 11.1013 k = 0.4302-0.9467-0.5636 ( 6272 PWs) bands (ev): -20.2132 -20.2132 -20.2120 -20.2120 -11.0401 -11.0401 -10.8066 -10.8066 -8.8605 -8.8605 -6.8510 -6.8510 -6.7554 -6.7554 -5.0262 -5.0262 -4.9823 -4.9823 -4.7725 -4.7725 -4.6147 -4.6147 1.8601 1.8601 2.3888 2.3888 2.7949 2.7949 3.1195 3.1195 3.2640 3.2640 3.4643 3.4643 3.5312 3.5312 4.1416 4.1416 4.2897 4.2897 4.7661 4.7661 5.0571 5.0571 5.3612 5.3612 6.0649 6.0649 6.2095 6.2095 8.6461 8.6461 9.7132 9.7132 10.3748 10.3748 10.7621 10.7621 11.0814 11.0814 k = 0.4419-0.9722-0.5789 ( 6276 PWs) bands (ev): -20.2119 -20.2119 -20.2108 -20.2108 -11.0448 -11.0448 -10.8121 -10.8121 -8.8573 -8.8573 -6.8486 -6.8486 -6.7599 -6.7599 -5.0272 -5.0272 -4.9834 -4.9834 -4.7757 -4.7757 -4.6156 -4.6156 1.8579 1.8579 2.3795 2.3795 2.8041 2.8041 3.1196 3.1196 3.2699 3.2699 3.4553 3.4553 3.5331 3.5331 4.1477 4.1477 4.2961 4.2961 4.7654 4.7654 5.0589 5.0589 5.3770 5.3770 6.0713 6.0713 6.2150 6.2150 8.6244 8.6244 9.7058 9.7058 10.3939 10.3939 10.7221 10.7221 11.0640 11.0640 k = 0.4535-0.9978-0.5941 ( 6274 PWs) bands (ev): -20.2108 -20.2108 -20.2099 -20.2099 -11.0487 -11.0487 -10.8166 -10.8166 -8.8547 -8.8547 -6.8463 -6.8463 -6.7640 -6.7640 -5.0282 -5.0282 -4.9840 -4.9840 -4.7785 -4.7785 -4.6164 -4.6164 1.8560 1.8560 2.3719 2.3719 2.8120 2.8120 3.1198 3.1198 3.2753 3.2753 3.4470 3.4470 3.5350 3.5350 4.1527 4.1527 4.3013 4.3013 4.7648 4.7648 5.0603 5.0603 5.3902 5.3902 6.0769 6.0769 6.2196 6.2196 8.6064 8.6064 9.6995 9.6995 10.4147 10.4147 10.6831 10.6831 11.0495 11.0495 k = 0.4651-1.0234-0.6093 ( 6280 PWs) bands (ev): -20.2099 -20.2099 -20.2091 -20.2091 -11.0518 -11.0518 -10.8201 -10.8201 -8.8526 -8.8526 -6.8443 -6.8443 -6.7674 -6.7674 -5.0291 -5.0291 -4.9844 -4.9844 -4.7808 -4.7808 -4.6170 -4.6170 1.8544 1.8544 2.3660 2.3660 2.8184 2.8184 3.1200 3.1200 3.2800 3.2800 3.4398 3.4398 3.5365 3.5365 4.1564 4.1564 4.3054 4.3054 4.7643 4.7643 5.0614 5.0614 5.4006 5.4006 6.0813 6.0813 6.2232 6.2232 8.5921 8.5921 9.6945 9.6945 10.4368 10.4368 10.6459 10.6459 11.0381 11.0381 k = 0.4767-1.0490-0.6246 ( 6277 PWs) bands (ev): -20.2093 -20.2093 -20.2086 -20.2086 -11.0540 -11.0540 -10.8227 -10.8227 -8.8511 -8.8511 -6.8428 -6.8428 -6.7699 -6.7699 -5.0298 -5.0298 -4.9846 -4.9846 -4.7824 -4.7824 -4.6174 -4.6174 1.8532 1.8532 2.3617 2.3617 2.8230 2.8230 3.1203 3.1203 3.2836 3.2836 3.4343 3.4343 3.5377 3.5377 4.1591 4.1591 4.3084 4.3084 4.7640 4.7640 5.0623 5.0623 5.4081 5.4081 6.0846 6.0846 6.2258 6.2258 8.5818 8.5818 9.6909 9.6909 10.4598 10.4598 10.6119 10.6119 11.0299 11.0299 k = 0.4884-1.0746-0.6398 ( 6275 PWs) bands (ev): -20.2089 -20.2089 -20.2083 -20.2083 -11.0553 -11.0553 -10.8242 -10.8242 -8.8502 -8.8502 -6.8418 -6.8418 -6.7715 -6.7715 -5.0303 -5.0303 -4.9847 -4.9847 -4.7835 -4.7835 -4.6177 -4.6177 1.8525 1.8525 2.3592 2.3592 2.8258 2.8258 3.1205 3.1205 3.2860 3.2860 3.4307 3.4307 3.5385 3.5385 4.1607 4.1607 4.3102 4.3102 4.7638 4.7638 5.0627 5.0627 5.4127 5.4127 6.0867 6.0867 6.2274 6.2274 8.5756 8.5756 9.6887 9.6887 10.4808 10.4808 10.5839 10.5839 11.0250 11.0250 k = 0.5000-1.1002-0.6551 ( 6272 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0558 -11.0558 -10.8247 -10.8247 -8.8499 -8.8499 -6.8414 -6.8414 -6.7721 -6.7721 -5.0304 -5.0304 -4.9847 -4.9847 -4.7838 -4.7838 -4.6178 -4.6178 1.8522 1.8522 2.3583 2.3583 2.8268 2.8268 3.1206 3.1206 3.2868 3.2868 3.4295 3.4295 3.5387 3.5387 4.1612 4.1612 4.3108 4.3108 4.7637 4.7637 5.0629 5.0629 5.4142 5.4142 6.0873 6.0873 6.2279 6.2279 8.5735 8.5735 9.6879 9.6879 10.4911 10.4911 10.5713 10.5713 11.0233 11.0233 k = 0.5000-1.1002-0.6551 ( 6272 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0558 -11.0558 -10.8247 -10.8247 -8.8499 -8.8499 -6.8414 -6.8414 -6.7721 -6.7721 -5.0304 -5.0304 -4.9847 -4.9847 -4.7838 -4.7838 -4.6178 -4.6178 1.8522 1.8522 2.3583 2.3583 2.8268 2.8268 3.1206 3.1206 3.2868 3.2868 3.4295 3.4295 3.5387 3.5387 4.1612 4.1612 4.3108 4.3108 4.7637 4.7637 5.0629 5.0629 5.4142 5.4142 6.0873 6.0873 6.2279 6.2279 8.5735 8.5735 9.6879 9.6879 10.4911 10.4911 10.5713 10.5713 11.0233 11.0233 k = 0.5000-1.0843-0.6817 ( 6268 PWs) bands (ev): -20.2088 -20.2088 -20.2081 -20.2081 -11.0559 -11.0559 -10.8248 -10.8248 -8.8500 -8.8500 -6.8441 -6.8441 -6.7694 -6.7694 -5.0317 -5.0317 -4.9843 -4.9843 -4.7851 -4.7851 -4.6157 -4.6157 1.8528 1.8528 2.3586 2.3586 2.8263 2.8263 3.1203 3.1203 3.2867 3.2867 3.4306 3.4306 3.5370 3.5370 4.1614 4.1614 4.3112 4.3112 4.7640 4.7640 5.0628 5.0628 5.4143 5.4143 6.0875 6.0875 6.2278 6.2278 8.5749 8.5749 9.6905 9.6905 10.4913 10.4913 10.5664 10.5664 11.0202 11.0202 k = 0.5000-1.0684-0.7083 ( 6272 PWs) bands (ev): -20.2086 -20.2086 -20.2080 -20.2080 -11.0563 -11.0563 -10.8250 -10.8250 -8.8501 -8.8501 -6.8512 -6.8512 -6.7625 -6.7625 -5.0353 -5.0353 -4.9835 -4.9835 -4.7886 -4.7886 -4.6097 -4.6097 1.8547 1.8547 2.3594 2.3594 2.8250 2.8250 3.1196 3.1196 3.2863 3.2863 3.4337 3.4337 3.5319 3.5319 4.1619 4.1619 4.3126 4.3126 4.7650 4.7650 5.0627 5.0627 5.4145 5.4145 6.0879 6.0879 6.2272 6.2272 8.5789 8.5789 9.6983 9.6983 10.4921 10.4921 10.5518 10.5518 11.0117 11.0117 k = 0.5000-1.0526-0.7350 ( 6266 PWs) bands (ev): -20.2085 -20.2085 -20.2078 -20.2078 -11.0569 -11.0569 -10.8253 -10.8253 -8.8502 -8.8502 -6.8609 -6.8609 -6.7530 -6.7530 -5.0407 -5.0407 -4.9827 -4.9827 -4.7936 -4.7936 -4.6005 -4.6005 1.8577 1.8577 2.3607 2.3607 2.8228 2.8228 3.1185 3.1185 3.2858 3.2858 3.4387 3.4387 3.5238 3.5238 4.1627 4.1627 4.3147 4.3147 4.7667 4.7667 5.0625 5.0625 5.4148 5.4148 6.0885 6.0885 6.2264 6.2264 8.5856 8.5856 9.7112 9.7112 10.4932 10.4932 10.5277 10.5277 11.0005 11.0005 k = 0.5000-1.0367-0.7616 ( 6264 PWs) bands (ev): -20.2082 -20.2082 -20.2076 -20.2076 -11.0578 -11.0578 -10.8258 -10.8258 -8.8504 -8.8504 -6.8720 -6.8720 -6.7422 -6.7422 -5.0474 -5.0474 -4.9827 -4.9827 -4.7990 -4.7990 -4.5890 -4.5890 1.8618 1.8618 2.3626 2.3626 2.8199 2.8199 3.1168 3.1168 3.2851 3.2851 3.4450 3.4450 3.5133 3.5133 4.1636 4.1636 4.3175 4.3175 4.7689 4.7689 5.0622 5.0622 5.4152 5.4152 6.0895 6.0895 6.2252 6.2252 8.5948 8.5948 9.7288 9.7288 10.4893 10.4893 10.5000 10.5000 10.9889 10.9889 k = 0.5000-1.0208-0.7883 ( 6264 PWs) bands (ev): -20.2079 -20.2079 -20.2073 -20.2073 -11.0589 -11.0589 -10.8264 -10.8264 -8.8507 -8.8507 -6.8837 -6.8837 -6.7308 -6.7308 -5.0551 -5.0551 -4.9838 -4.9838 -4.8040 -4.8040 -4.5760 -4.5760 1.8670 1.8670 2.3649 2.3649 2.8162 2.8162 3.1146 3.1146 3.2843 3.2843 3.4513 3.4513 3.5020 3.5020 4.1646 4.1646 4.3209 4.3209 4.7718 4.7718 5.0618 5.0618 5.4158 5.4158 6.0907 6.0907 6.2237 6.2237 8.6066 8.6066 9.7509 9.7509 10.4503 10.4503 10.4996 10.4996 10.9783 10.9783 k = 0.5000-1.0050-0.8149 ( 6270 PWs) bands (ev): -20.2075 -20.2075 -20.2069 -20.2069 -11.0603 -11.0603 -10.8272 -10.8272 -8.8510 -8.8510 -6.8957 -6.8957 -6.7193 -6.7193 -5.0635 -5.0635 -4.9864 -4.9864 -4.8080 -4.8080 -4.5620 -4.5620 1.8732 1.8732 2.3678 2.3678 2.8120 2.8120 3.1118 3.1118 3.2835 3.2835 3.4532 3.4532 3.4945 3.4945 4.1656 4.1656 4.3247 4.3247 4.7752 4.7752 5.0614 5.0614 5.4166 5.4166 6.0922 6.0922 6.2220 6.2220 8.6208 8.6208 9.7772 9.7772 10.4008 10.4008 10.5032 10.5032 10.9696 10.9696 k = 0.5000-0.9891-0.8416 ( 6274 PWs) bands (ev): -20.2071 -20.2071 -20.2065 -20.2065 -11.0619 -11.0619 -10.8280 -10.8280 -8.8514 -8.8514 -6.9076 -6.9076 -6.7078 -6.7078 -5.0724 -5.0724 -4.9904 -4.9904 -4.8106 -4.8106 -4.5476 -4.5476 1.8804 1.8804 2.3711 2.3711 2.8074 2.8074 3.1083 3.1083 3.2826 3.2826 3.4449 3.4449 3.4972 3.4972 4.1664 4.1664 4.3287 4.3287 4.7791 4.7791 5.0610 5.0610 5.4174 5.4174 6.0941 6.0941 6.2201 6.2201 8.6374 8.6374 9.8069 9.8069 10.3449 10.3449 10.5081 10.5081 10.9628 10.9628 k = 0.5000-0.9732-0.8682 ( 6274 PWs) bands (ev): -20.2066 -20.2066 -20.2060 -20.2060 -11.0636 -11.0636 -10.8290 -10.8290 -8.8517 -8.8517 -6.9194 -6.9194 -6.6965 -6.6965 -5.0819 -5.0819 -4.9957 -4.9957 -4.8116 -4.8116 -4.5331 -4.5331 1.8883 1.8883 2.3749 2.3749 2.8024 2.8024 3.1038 3.1038 3.2819 3.2819 3.4287 3.4287 3.5079 3.5079 4.1670 4.1670 4.3328 4.3328 4.7835 4.7835 5.0606 5.0606 5.4185 5.4185 6.0962 6.0962 6.2180 6.2180 8.6561 8.6561 9.8396 9.8396 10.2840 10.2840 10.5146 10.5146 10.9578 10.9578 k = 0.5000-0.9574-0.8949 ( 6272 PWs) bands (ev): -20.2060 -20.2060 -20.2055 -20.2055 -11.0655 -11.0655 -10.8301 -10.8301 -8.8521 -8.8521 -6.9310 -6.9310 -6.6855 -6.6855 -5.0917 -5.0917 -5.0021 -5.0021 -4.8113 -4.8113 -4.5188 -4.5188 1.8970 1.8970 2.3790 2.3790 2.7973 2.7973 3.0982 3.0982 3.2812 3.2812 3.4097 3.4097 3.5222 3.5222 4.1672 4.1672 4.3366 4.3366 4.7883 4.7883 5.0602 5.0602 5.4198 5.4198 6.0986 6.0986 6.2158 6.2158 8.6769 8.6769 9.8744 9.8744 10.2193 10.2193 10.5230 10.5230 10.9542 10.9542 k = 0.5000-0.9415-0.9215 ( 6266 PWs) bands (ev): -20.2054 -20.2054 -20.2049 -20.2049 -11.0676 -11.0676 -10.8313 -10.8313 -8.8525 -8.8525 -6.9421 -6.9421 -6.6749 -6.6749 -5.1017 -5.1017 -5.0091 -5.0091 -4.8098 -4.8098 -4.5049 -4.5049 1.9062 1.9062 2.3836 2.3836 2.7921 2.7921 3.0910 3.0910 3.2807 3.2807 3.3900 3.3900 3.5386 3.5386 4.1671 4.1671 4.3399 4.3399 4.7934 4.7934 5.0599 5.0599 5.4213 5.4213 6.1013 6.1013 6.2135 6.2135 8.6997 8.6997 9.9103 9.9103 10.1520 10.1520 10.5339 10.5339 10.9518 10.9518 k = 0.5000-0.9256-0.9482 ( 6266 PWs) bands (ev): -20.2048 -20.2048 -20.2043 -20.2043 -11.0697 -11.0697 -10.8326 -10.8326 -8.8529 -8.8529 -6.9529 -6.9529 -6.6648 -6.6648 -5.1120 -5.1120 -5.0164 -5.0164 -4.8073 -4.8073 -4.4915 -4.4915 1.9159 1.9159 2.3885 2.3885 2.7871 2.7871 3.0819 3.0819 3.2804 3.2804 3.3709 3.3709 3.5562 3.5562 4.1667 4.1667 4.3427 4.3427 4.7988 4.7988 5.0596 5.0596 5.4229 5.4229 6.1043 6.1043 6.2112 6.2112 8.7243 8.7243 9.9464 9.9464 10.0831 10.0831 10.5480 10.5480 10.9503 10.9503 k = 0.5000-0.9098-0.9748 ( 6266 PWs) bands (ev): -20.2041 -20.2041 -20.2037 -20.2037 -11.0720 -11.0720 -10.8340 -10.8340 -8.8532 -8.8532 -6.9631 -6.9631 -6.6552 -6.6552 -5.1224 -5.1224 -5.0238 -5.0238 -4.8043 -4.8043 -4.4789 -4.4789 1.9258 1.9258 2.3937 2.3937 2.7823 2.7823 3.0705 3.0705 3.2804 3.2804 3.3534 3.3534 3.5747 3.5747 4.1659 4.1659 4.3447 4.3447 4.8042 4.8042 5.0595 5.0595 5.4248 5.4248 6.1076 6.1076 6.2090 6.2090 8.7505 8.7505 9.9804 9.9804 10.0145 10.0145 10.5659 10.5659 10.9496 10.9496 k = 0.5000-0.8939-1.0015 ( 6274 PWs) bands (ev): -20.2035 -20.2035 -20.2030 -20.2030 -11.0743 -11.0743 -10.8355 -10.8355 -8.8535 -8.8535 -6.9727 -6.9727 -6.6462 -6.6462 -5.1327 -5.1327 -5.0309 -5.0309 -4.8007 -4.8007 -4.4670 -4.4670 1.9358 1.9358 2.3992 2.3992 2.7780 2.7780 3.0565 3.0565 3.2805 3.2805 3.3384 3.3384 3.5938 3.5938 4.1648 4.1648 4.3457 4.3457 4.8097 4.8097 5.0595 5.0595 5.4270 5.4270 6.1112 6.1112 6.2067 6.2067 8.7782 8.7782 9.9417 9.9417 10.0165 10.0165 10.5884 10.5884 10.9494 10.9494 k = 0.5000-0.8780-1.0281 ( 6272 PWs) bands (ev): -20.2028 -20.2028 -20.2024 -20.2024 -11.0767 -11.0767 -10.8370 -10.8370 -8.8537 -8.8537 -6.9817 -6.9817 -6.6378 -6.6378 -5.1428 -5.1428 -5.0377 -5.0377 -4.7970 -4.7970 -4.4560 -4.4560 1.9457 1.9457 2.4049 2.4049 2.7742 2.7742 3.0398 3.0398 3.2807 3.2807 3.3263 3.3263 3.6131 3.6131 4.1634 4.1634 4.3456 4.3456 4.8151 4.8151 5.0597 5.0597 5.4293 5.4293 6.1151 6.1151 6.2046 6.2046 8.8073 8.8073 9.8724 9.8724 10.0468 10.0468 10.6160 10.6160 10.9496 10.9496 k = 0.5000-0.8622-1.0548 ( 6270 PWs) bands (ev): -20.2021 -20.2021 -20.2017 -20.2017 -11.0790 -11.0790 -10.8385 -10.8385 -8.8539 -8.8539 -6.9900 -6.9900 -6.6301 -6.6301 -5.1526 -5.1526 -5.0439 -5.0439 -4.7932 -4.7932 -4.4459 -4.4459 1.9555 1.9555 2.4107 2.4107 2.7710 2.7710 3.0205 3.0205 3.2810 3.2810 3.3177 3.3177 3.6325 3.6325 4.1619 4.1619 4.3443 4.3443 4.8203 4.8203 5.0600 5.0600 5.4319 5.4319 6.1191 6.1191 6.2026 6.2026 8.8376 8.8376 9.8036 9.8036 10.0742 10.0742 10.6490 10.6490 10.9502 10.9502 k = 0.5000-0.8463-1.0814 ( 6276 PWs) bands (ev): -20.2015 -20.2015 -20.2011 -20.2011 -11.0813 -11.0813 -10.8401 -10.8401 -8.8541 -8.8541 -6.9977 -6.9977 -6.6230 -6.6230 -5.1620 -5.1620 -5.0497 -5.0497 -4.7894 -4.7894 -4.4369 -4.4369 1.9649 1.9649 2.4165 2.4165 2.7686 2.7686 2.9990 2.9990 3.2812 3.2812 3.3125 3.3125 3.6516 3.6516 4.1604 4.1604 4.3416 4.3416 4.8251 4.8251 5.0604 5.0604 5.4347 5.4347 6.1234 6.1234 6.2007 6.2007 8.8689 8.8689 9.7362 9.7362 10.0982 10.0982 10.6870 10.6870 10.9511 10.9511 k = 0.5000-0.8304-1.1081 ( 6278 PWs) bands (ev): -20.2008 -20.2008 -20.2005 -20.2005 -11.0836 -11.0836 -10.8416 -10.8416 -8.8542 -8.8542 -7.0046 -7.0046 -6.6166 -6.6166 -5.1708 -5.1708 -5.0548 -5.0548 -4.7859 -4.7859 -4.4287 -4.4287 1.9738 1.9738 2.4222 2.4222 2.7669 2.7669 2.9760 2.9760 3.2814 3.2814 3.3105 3.3105 3.6701 3.6701 4.1590 4.1590 4.3376 4.3376 4.8296 4.8296 5.0610 5.0610 5.4377 5.4377 6.1278 6.1278 6.1990 6.1990 8.9011 8.9011 9.6705 9.6705 10.1190 10.1190 10.7295 10.7295 10.9523 10.9523 k = 0.5000-0.8146-1.1347 ( 6276 PWs) bands (ev): -20.2002 -20.2002 -20.1999 -20.1999 -11.0857 -11.0857 -10.8431 -10.8431 -8.8542 -8.8542 -7.0108 -7.0108 -6.6109 -6.6109 -5.1789 -5.1789 -5.0594 -5.0594 -4.7825 -4.7825 -4.4216 -4.4216 1.9820 1.9820 2.4277 2.4277 2.7662 2.7662 2.9519 2.9519 3.2818 3.2818 3.3112 3.3112 3.6877 3.6877 4.1579 4.1579 4.3322 4.3322 4.8337 4.8337 5.0617 5.0617 5.4409 5.4409 6.1323 6.1323 6.1975 6.1975 8.9340 8.9340 9.6069 9.6069 10.1372 10.1372 10.7751 10.7751 10.9536 10.9536 k = 0.5000-0.7987-1.1614 ( 6280 PWs) bands (ev): -20.1997 -20.1997 -20.1994 -20.1994 -11.0877 -11.0877 -10.8445 -10.8445 -8.8542 -8.8542 -7.0162 -7.0162 -6.6060 -6.6060 -5.1862 -5.1862 -5.0633 -5.0633 -4.7795 -4.7795 -4.4155 -4.4155 1.9896 1.9896 2.4327 2.4327 2.7663 2.7663 2.9277 2.9277 3.2826 3.2826 3.3139 3.3139 3.7042 3.7042 4.1570 4.1570 4.3253 4.3253 4.8372 4.8372 5.0625 5.0625 5.4441 5.4441 6.1367 6.1367 6.1962 6.1962 8.9676 8.9676 9.5457 9.5457 10.1535 10.1535 10.8224 10.8224 10.9550 10.9550 k = 0.5000-0.7828-1.1880 ( 6286 PWs) bands (ev): -20.1991 -20.1991 -20.1989 -20.1989 -11.0895 -11.0895 -10.8459 -10.8459 -8.8541 -8.8541 -7.0208 -7.0208 -6.6018 -6.6018 -5.1925 -5.1925 -5.0667 -5.0667 -4.7769 -4.7769 -4.4103 -4.4103 1.9962 1.9962 2.4371 2.4371 2.7674 2.7674 2.9039 2.9039 3.2840 3.2840 3.3182 3.3182 3.7194 3.7194 4.1567 4.1567 4.3172 4.3172 4.8401 4.8401 5.0633 5.0633 5.4472 5.4472 6.1411 6.1411 6.1952 6.1952 9.0017 9.0017 9.4871 9.4871 10.1688 10.1688 10.8691 10.8691 10.9566 10.9566 k = 0.5000-0.7670-1.2147 ( 6286 PWs) bands (ev): -20.1987 -20.1987 -20.1985 -20.1985 -11.0910 -11.0910 -10.8471 -10.8471 -8.8540 -8.8540 -7.0246 -7.0246 -6.5984 -6.5984 -5.1979 -5.1979 -5.0694 -5.0694 -4.7747 -4.7747 -4.4061 -4.4061 2.0021 2.0021 2.4406 2.4406 2.7693 2.7693 2.8813 2.8813 3.2858 3.2858 3.3238 3.3238 3.7329 3.7329 4.1570 4.1570 4.3077 4.3077 4.8426 4.8426 5.0642 5.0642 5.4503 5.4503 6.1452 6.1452 6.1945 6.1945 9.0361 9.0361 9.4315 9.4315 10.1838 10.1838 10.9120 10.9120 10.9590 10.9590 k = 0.5000-0.7511-1.2413 ( 6296 PWs) bands (ev): -20.1983 -20.1983 -20.1981 -20.1981 -11.0924 -11.0924 -10.8481 -10.8481 -8.8539 -8.8539 -7.0276 -7.0276 -6.5957 -6.5957 -5.2023 -5.2023 -5.0716 -5.0716 -4.7730 -4.7730 -4.4028 -4.4028 2.0069 2.0069 2.4430 2.4430 2.7719 2.7719 2.8607 2.8607 3.2880 3.2880 3.3306 3.3306 3.7445 3.7445 4.1579 4.1579 4.2970 4.2970 4.8444 4.8444 5.0649 5.0649 5.4531 5.4531 6.1488 6.1488 6.1941 6.1941 9.0708 9.0708 9.3788 9.3788 10.1993 10.1993 10.9404 10.9404 10.9696 10.9696 k = 0.5000-0.7352-1.2680 ( 6298 PWs) bands (ev): -20.1980 -20.1980 -20.1979 -20.1979 -11.0934 -11.0934 -10.8489 -10.8489 -8.8538 -8.8538 -7.0299 -7.0299 -6.5937 -6.5937 -5.2055 -5.2055 -5.0733 -5.0733 -4.7717 -4.7717 -4.4004 -4.4004 2.0109 2.0109 2.4441 2.4441 2.7746 2.7746 2.8431 2.8431 3.2904 3.2904 3.3383 3.3383 3.7541 3.7541 4.1593 4.1593 4.2853 4.2853 4.8458 4.8458 5.0656 5.0656 5.4555 5.4555 6.1519 6.1519 6.1943 6.1943 9.1057 9.1057 9.3295 9.3295 10.2158 10.2158 10.9437 10.9437 10.9954 10.9954 k = 0.5000-0.7194-1.2946 ( 6290 PWs) bands (ev): -20.1978 -20.1978 -20.1977 -20.1977 -11.0941 -11.0941 -10.8494 -10.8494 -8.8537 -8.8537 -7.0313 -7.0313 -6.5924 -6.5924 -5.2076 -5.2076 -5.0743 -5.0743 -4.7709 -4.7709 -4.3989 -4.3989 2.0139 2.0139 2.4437 2.4437 2.7757 2.7757 2.8302 2.8302 3.2930 3.2930 3.3468 3.3468 3.7617 3.7617 4.1612 4.1612 4.2730 4.2730 4.8466 4.8466 5.0662 5.0662 5.4574 5.4574 6.1541 6.1541 6.1950 6.1950 9.1405 9.1405 9.2835 9.2835 10.2337 10.2337 10.9358 10.9358 11.0183 11.0183 k = 0.5000-0.7035-1.3213 ( 6286 PWs) bands (ev): -20.1976 -20.1976 -20.1976 -20.1976 -11.0945 -11.0945 -10.8497 -10.8497 -8.8537 -8.8537 -7.0320 -7.0320 -6.5918 -6.5918 -5.2086 -5.2086 -5.0749 -5.0749 -4.7706 -4.7706 -4.3981 -4.3981 2.0161 2.0161 2.4418 2.4418 2.7732 2.7732 2.8247 2.8247 3.2955 3.2955 3.3561 3.3561 3.7671 3.7671 4.1630 4.1630 4.2603 4.2603 4.8470 4.8470 5.0665 5.0665 5.4587 5.4587 6.1553 6.1553 6.1963 6.1963 9.1750 9.1750 9.2413 9.2413 10.2535 10.2535 10.9180 10.9180 11.0326 11.0326 k = 0.5000-0.6876-1.3479 ( 6282 PWs) bands (ev): -20.1977 -20.1977 -20.1976 -20.1976 -11.0945 -11.0945 -10.8496 -10.8496 -8.8537 -8.8537 -7.0319 -7.0319 -6.5919 -6.5919 -5.2084 -5.2084 -5.0749 -5.0749 -4.7708 -4.7708 -4.3981 -4.3981 2.0173 2.0173 2.4384 2.4384 2.7664 2.7664 2.8270 2.8270 3.2978 3.2978 3.3660 3.3660 3.7705 3.7705 4.1641 4.1641 4.2481 4.2481 4.8470 4.8470 5.0666 5.0666 5.4591 5.4591 6.1554 6.1554 6.1981 6.1981 9.1957 9.1957 9.2164 9.2164 10.2754 10.2754 10.8885 10.8885 11.0316 11.0316 k = 0.5000-0.6718-1.3746 ( 6288 PWs) bands (ev): -20.1978 -20.1978 -20.1977 -20.1977 -11.0940 -11.0940 -10.8492 -10.8492 -8.8538 -8.8538 -7.0311 -7.0311 -6.5926 -6.5926 -5.2070 -5.2070 -5.0744 -5.0744 -4.7715 -4.7715 -4.3987 -4.3987 2.0177 2.0177 2.4338 2.4338 2.7576 2.7576 2.8349 2.8349 3.2998 3.2998 3.3764 3.3764 3.7719 3.7719 4.1633 4.1633 4.2376 4.2376 4.8466 4.8466 5.0664 5.0664 5.4585 5.4585 6.1544 6.1544 6.2003 6.2003 9.1638 9.1638 9.2473 9.2473 10.2993 10.2993 10.8498 10.8498 11.0202 11.0202 k = 0.8227-0.6019-1.2456 ( 6288 PWs) bands (ev): -20.1978 -20.1978 -20.1977 -20.1977 -11.0940 -11.0940 -10.8492 -10.8492 -8.8538 -8.8538 -7.0311 -7.0311 -6.5926 -6.5926 -5.2070 -5.2070 -5.0744 -5.0744 -4.7715 -4.7715 -4.3987 -4.3987 2.0177 2.0177 2.4338 2.4338 2.7576 2.7576 2.8349 2.8349 3.2998 3.2998 3.3764 3.3764 3.7719 3.7719 4.1633 4.1633 4.2376 4.2376 4.8466 4.8466 5.0664 5.0664 5.4585 5.4585 6.1544 6.1544 6.2003 6.2003 9.1638 9.1638 9.2473 9.2473 10.2993 10.2993 10.8498 10.8498 11.0202 11.0202 k = 0.8160-0.5871-1.2183 ( 6280 PWs) bands (ev): -20.1981 -20.1981 -20.1980 -20.1980 -11.0931 -11.0931 -10.8483 -10.8483 -8.8540 -8.8540 -7.0294 -7.0294 -6.5939 -6.5939 -5.2044 -5.2044 -5.0733 -5.0733 -4.7726 -4.7726 -4.4001 -4.4001 2.0174 2.0174 2.4280 2.4280 2.7484 2.7484 2.8464 2.8464 3.3015 3.3015 3.3873 3.3873 3.7715 3.7715 4.1590 4.1590 4.2300 4.2300 4.8459 4.8459 5.0660 5.0660 5.4567 5.4567 6.1523 6.1523 6.2028 6.2028 9.1310 9.1310 9.2827 9.2827 10.3259 10.3259 10.8053 10.8053 11.0130 11.0131 k = 0.8093-0.5723-1.1910 ( 6278 PWs) bands (ev): -20.1985 -20.1985 -20.1983 -20.1983 -11.0917 -11.0917 -10.8470 -10.8470 -8.8544 -8.8544 -7.0271 -7.0271 -6.5958 -6.5958 -5.2007 -5.2007 -5.0718 -5.0718 -4.7742 -4.7742 -4.4020 -4.4020 2.0163 2.0163 2.4216 2.4216 2.7398 2.7398 2.8603 2.8603 3.3027 3.3027 3.3984 3.3984 3.7695 3.7695 4.1502 4.1502 4.2265 4.2265 4.8448 4.8448 5.0653 5.0653 5.4536 5.4536 6.1493 6.1493 6.2052 6.2052 9.1014 9.1014 9.3181 9.3181 10.3547 10.3547 10.7598 10.7598 11.0086 11.0086 k = 0.8026-0.5575-1.1637 ( 6278 PWs) bands (ev): -20.1991 -20.1991 -20.1989 -20.1989 -11.0897 -11.0897 -10.8452 -10.8452 -8.8550 -8.8550 -7.0241 -7.0241 -6.5982 -6.5982 -5.1958 -5.1958 -5.0698 -5.0698 -4.7762 -4.7762 -4.4045 -4.4045 2.0144 2.0144 2.4150 2.4150 2.7321 2.7321 2.8760 2.8760 3.3032 3.3032 3.4094 3.4094 3.7660 3.7660 4.1374 4.1374 4.2266 4.2266 4.8436 4.8436 5.0643 5.0643 5.4491 5.4491 6.1452 6.1452 6.2074 6.2074 9.0752 9.0752 9.3532 9.3532 10.3852 10.3852 10.7154 10.7154 11.0057 11.0057 k = 0.7958-0.5427-1.1364 ( 6274 PWs) bands (ev): -20.1998 -20.1998 -20.1995 -20.1995 -11.0872 -11.0872 -10.8429 -10.8429 -8.8558 -8.8558 -7.0204 -7.0204 -6.6011 -6.6011 -5.1898 -5.1898 -5.0672 -5.0672 -4.7785 -4.7785 -4.4075 -4.4075 2.0119 2.0119 2.4086 2.4086 2.7252 2.7252 2.8932 2.8932 3.3030 3.3030 3.4201 3.4201 3.7613 3.7613 4.1222 4.1222 4.2289 4.2289 4.8421 4.8421 5.0629 5.0629 5.4431 5.4431 6.1403 6.1403 6.2091 6.2091 9.0523 9.0523 9.3880 9.3880 10.4170 10.4170 10.6736 10.6736 11.0038 11.0038 k = 0.7891-0.5279-1.1092 ( 6272 PWs) bands (ev): -20.2007 -20.2007 -20.2003 -20.2003 -11.0842 -11.0842 -10.8399 -10.8399 -8.8569 -8.8569 -7.0161 -7.0161 -6.6044 -6.6044 -5.1828 -5.1828 -5.0642 -5.0642 -4.7812 -4.7812 -4.4110 -4.4110 2.0089 2.0089 2.4028 2.4028 2.7189 2.7189 2.9114 2.9114 3.3021 3.3021 3.4302 3.4302 3.7556 3.7556 4.1057 4.1057 4.2321 4.2321 4.8404 4.8404 5.0613 5.0613 5.4354 5.4354 6.1345 6.1345 6.2103 6.2103 9.0327 9.0327 9.4222 9.4222 10.4497 10.4497 10.6354 10.6354 11.0028 11.0028 k = 0.7824-0.5131-1.0819 ( 6272 PWs) bands (ev): -20.2017 -20.2017 -20.2013 -20.2013 -11.0805 -11.0805 -10.8364 -10.8364 -8.8582 -8.8582 -7.0112 -7.0112 -6.6080 -6.6080 -5.1749 -5.1749 -5.0608 -5.0608 -4.7841 -4.7841 -4.4149 -4.4149 2.0052 2.0052 2.3979 2.3979 2.7133 2.7133 2.9306 2.9306 3.3004 3.3004 3.4396 3.4396 3.7491 3.7491 4.0888 4.0888 4.2356 4.2356 4.8387 4.8387 5.0593 5.0593 5.4260 5.4260 6.1279 6.1279 6.2108 6.2108 9.0160 9.0160 9.4557 9.4557 10.4823 10.4823 10.6017 10.6017 11.0026 11.0026 k = 0.7757-0.4983-1.0546 ( 6270 PWs) bands (ev): -20.2029 -20.2029 -20.2024 -20.2024 -11.0763 -11.0763 -10.8323 -10.8323 -8.8598 -8.8598 -7.0058 -7.0058 -6.6119 -6.6119 -5.1662 -5.1662 -5.0568 -5.0568 -4.7872 -4.7872 -4.4191 -4.4191 2.0011 2.0011 2.3943 2.3943 2.7081 2.7081 2.9504 2.9504 3.2978 3.2978 3.4480 3.4480 3.7419 3.7419 4.0721 4.0721 4.2387 4.2387 4.8368 4.8368 5.0570 5.0570 5.4150 5.4150 6.1205 6.1205 6.2105 6.2105 9.0022 9.0022 9.4883 9.4883 10.5121 10.5121 10.5752 10.5752 11.0029 11.0029 k = 0.7690-0.4835-1.0273 ( 6280 PWs) bands (ev): -20.2042 -20.2042 -20.2037 -20.2037 -11.0714 -11.0714 -10.8275 -10.8275 -8.8618 -8.8618 -7.0000 -7.0000 -6.6160 -6.6160 -5.1567 -5.1567 -5.0524 -5.0524 -4.7905 -4.7905 -4.4237 -4.4237 1.9965 1.9965 2.3921 2.3921 2.7034 2.7034 2.9708 2.9708 3.2942 3.2942 3.4550 3.4550 3.7344 3.7344 4.0562 4.0562 4.2413 4.2413 4.8348 4.8348 5.0544 5.0544 5.4022 5.4022 6.1123 6.1123 6.2093 6.2093 8.9910 8.9910 9.5198 9.5198 10.5252 10.5252 10.5695 10.5695 11.0036 11.0036 k = 0.7622-0.4687-1.0000 ( 6274 PWs) bands (ev): -20.2057 -20.2057 -20.2052 -20.2052 -11.0660 -11.0660 -10.8220 -10.8220 -8.8640 -8.8640 -6.9937 -6.9937 -6.6203 -6.6203 -5.1466 -5.1466 -5.0475 -5.0475 -4.7937 -4.7937 -4.4285 -4.4285 1.9914 1.9914 2.3914 2.3914 2.6991 2.6991 2.9914 2.9914 3.2897 3.2897 3.4605 3.4605 3.7265 3.7265 4.0412 4.0412 4.2430 4.2430 4.8328 4.8328 5.0515 5.0515 5.3878 5.3878 6.1034 6.1034 6.2072 6.2072 8.9824 8.9824 9.5501 9.5501 10.5133 10.5133 10.5925 10.5925 11.0046 11.0046 k = 0.7555-0.4539-0.9727 ( 6272 PWs) bands (ev): -20.2074 -20.2074 -20.2068 -20.2068 -11.0599 -11.0599 -10.8159 -10.8159 -8.8666 -8.8666 -6.9871 -6.9871 -6.6247 -6.6247 -5.1361 -5.1361 -5.0421 -5.0421 -4.7969 -4.7969 -4.4337 -4.4337 1.9860 1.9860 2.3924 2.3924 2.6954 2.6954 3.0123 3.0123 3.2842 3.2842 3.4642 3.4642 3.7184 3.7184 4.0277 4.0277 4.2438 4.2438 4.8308 4.8308 5.0483 5.0483 5.3718 5.3718 6.0937 6.0937 6.2042 6.2042 8.9761 8.9761 9.5789 9.5789 10.4990 10.4990 10.6213 10.6213 11.0060 11.0060 k = 0.7488-0.4391-0.9454 ( 6266 PWs) bands (ev): -20.2092 -20.2092 -20.2085 -20.2085 -11.0532 -11.0532 -10.8092 -10.8092 -8.8696 -8.8696 -6.9803 -6.9803 -6.6290 -6.6290 -5.1253 -5.1253 -5.0361 -5.0361 -4.8000 -4.8000 -4.4390 -4.4390 1.9801 1.9801 2.3952 2.3952 2.6922 2.6922 3.0330 3.0330 3.2778 3.2778 3.4659 3.4659 3.7102 3.7102 4.0159 4.0159 4.2435 4.2435 4.8288 4.8288 5.0447 5.0447 5.3542 5.3542 6.0835 6.0835 6.2003 6.2003 8.9720 8.9720 9.6062 9.6062 10.4880 10.4880 10.6497 10.6497 11.0076 11.0076 k = 0.7421-0.4243-0.9181 ( 6266 PWs) bands (ev): -20.2112 -20.2112 -20.2104 -20.2104 -11.0460 -11.0460 -10.8017 -10.8017 -8.8729 -8.8729 -6.9732 -6.9732 -6.6333 -6.6333 -5.1144 -5.1144 -5.0295 -5.0295 -4.8028 -4.8028 -4.4446 -4.4446 1.9740 1.9740 2.3996 2.3996 2.6896 2.6896 3.0535 3.0535 3.2705 3.2705 3.4657 3.4657 3.7021 3.7021 4.0058 4.0058 4.2420 4.2420 4.8267 4.8267 5.0408 5.0408 5.3352 5.3352 6.0728 6.0728 6.1954 6.1954 8.9700 8.9700 9.6318 9.6318 10.4813 10.4813 10.6765 10.6765 11.0096 11.0096 k = 0.7353-0.4095-0.8908 ( 6270 PWs) bands (ev): -20.2133 -20.2133 -20.2125 -20.2125 -11.0381 -11.0381 -10.7936 -10.7936 -8.8766 -8.8766 -6.9660 -6.9660 -6.6376 -6.6376 -5.1036 -5.1036 -5.0222 -5.0222 -4.8053 -4.8053 -4.4503 -4.4503 1.9675 1.9675 2.4057 2.4057 2.6880 2.6880 3.0736 3.0736 3.2623 3.2623 3.4635 3.4635 3.6940 3.6940 3.9977 3.9977 4.2393 4.2393 4.8246 4.8246 5.0365 5.0365 5.3149 5.3149 6.0615 6.0615 6.1897 6.1897 8.9699 8.9699 9.6558 9.6558 10.4787 10.4787 10.7011 10.7011 11.0118 11.0118 k = 0.7286-0.3947-0.8635 ( 6262 PWs) bands (ev): -20.2156 -20.2156 -20.2147 -20.2147 -11.0297 -11.0297 -10.7848 -10.7848 -8.8806 -8.8806 -6.9587 -6.9587 -6.6416 -6.6416 -5.0931 -5.0931 -5.0142 -5.0142 -4.8074 -4.8074 -4.4563 -4.4563 1.9607 1.9607 2.4131 2.4131 2.6874 2.6874 3.0929 3.0929 3.2533 3.2533 3.4594 3.4594 3.6862 3.6862 3.9915 3.9915 4.2353 4.2353 4.8226 4.8226 5.0317 5.0317 5.2935 5.2935 6.0500 6.0500 6.1831 6.1831 8.9716 8.9716 9.6780 9.6780 10.4802 10.4802 10.7232 10.7232 11.0142 11.0142 k = 0.7219-0.3799-0.8362 ( 6264 PWs) bands (ev): -20.2180 -20.2180 -20.2171 -20.2171 -11.0207 -11.0207 -10.7754 -10.7754 -8.8850 -8.8850 -6.9515 -6.9515 -6.6454 -6.6454 -5.0832 -5.0832 -5.0053 -5.0053 -4.8090 -4.8090 -4.4624 -4.4624 1.9535 1.9535 2.4218 2.4218 2.6882 2.6882 3.1110 3.1110 3.2436 3.2436 3.4537 3.4537 3.6786 3.6786 3.9872 3.9872 4.2300 4.2300 4.8205 4.8205 5.0262 5.0262 5.2712 5.2712 6.0382 6.0382 6.1757 6.1757 8.9751 8.9751 9.6986 9.6986 10.4853 10.4853 10.7424 10.7424 11.0166 11.0166 k = 0.7152-0.3651-0.8089 ( 6256 PWs) bands (ev): -20.2205 -20.2205 -20.2195 -20.2195 -11.0112 -11.0112 -10.7654 -10.7654 -8.8896 -8.8896 -6.9443 -6.9443 -6.6489 -6.6489 -5.0739 -5.0739 -4.9956 -4.9956 -4.8099 -4.8099 -4.4686 -4.4686 1.9462 1.9462 2.4315 2.4315 2.6908 2.6908 3.1275 3.1275 3.2336 3.2336 3.4469 3.4469 3.6713 3.6713 3.9844 3.9844 4.2233 4.2233 4.8185 4.8185 5.0202 5.0202 5.2482 5.2482 6.0262 6.0262 6.1677 6.1677 8.9804 8.9804 9.7176 9.7176 10.4938 10.4938 10.7579 10.7579 11.0190 11.0190 k = 0.7084-0.3503-0.7816 ( 6252 PWs) bands (ev): -20.2232 -20.2232 -20.2221 -20.2221 -11.0012 -11.0012 -10.7548 -10.7548 -8.8946 -8.8946 -6.9373 -6.9373 -6.6521 -6.6521 -5.0654 -5.0654 -4.9851 -4.9851 -4.8102 -4.8102 -4.4750 -4.4750 1.9385 1.9385 2.4417 2.4417 2.6954 2.6954 3.1415 3.1415 3.2236 3.2236 3.4394 3.4394 3.6643 3.6643 3.9830 3.9830 4.2153 4.2153 4.8165 4.8165 5.0132 5.0132 5.2250 5.2250 6.0142 6.0142 6.1590 6.1590 8.9873 8.9873 9.7351 9.7351 10.5050 10.5050 10.7692 10.7692 11.0214 11.0214 k = 0.7017-0.3356-0.7543 ( 6262 PWs) bands (ev): -20.2260 -20.2260 -20.2248 -20.2248 -10.9907 -10.9907 -10.7436 -10.7436 -8.8998 -8.8998 -6.9305 -6.9305 -6.6550 -6.6550 -5.0577 -5.0577 -4.9740 -4.9740 -4.8096 -4.8096 -4.4815 -4.4815 1.9306 1.9306 2.4521 2.4521 2.7026 2.7026 3.1518 3.1518 3.2146 3.2146 3.4321 3.4321 3.6577 3.6577 3.9828 3.9828 4.2060 4.2060 4.8144 4.8144 5.0050 5.0050 5.2018 5.2018 6.0022 6.0022 6.1498 6.1498 8.9959 8.9959 9.7512 9.7512 10.5183 10.5183 10.7755 10.7755 11.0237 11.0237 k = 0.6950-0.3208-0.7270 ( 6258 PWs) bands (ev): -20.2288 -20.2288 -20.2276 -20.2276 -10.9799 -10.9799 -10.7320 -10.7320 -8.9052 -8.9052 -6.9239 -6.9239 -6.6575 -6.6575 -5.0508 -5.0508 -4.9623 -4.9623 -4.8082 -4.8082 -4.4882 -4.4882 1.9224 1.9224 2.4623 2.4623 2.7128 2.7128 3.1563 3.1563 3.2079 3.2079 3.4257 3.4257 3.6515 3.6515 3.9833 3.9833 4.1953 4.1953 4.8123 4.8123 4.9954 4.9954 5.1792 5.1792 5.9904 5.9904 6.1402 6.1402 9.0061 9.0061 9.7660 9.7660 10.5334 10.5334 10.7758 10.7758 11.0261 11.0261 k = 0.6883-0.3060-0.6997 ( 6262 PWs) bands (ev): -20.2318 -20.2318 -20.2305 -20.2305 -10.9686 -10.9686 -10.7199 -10.7199 -8.9108 -8.9108 -6.9176 -6.9176 -6.6596 -6.6596 -5.0445 -5.0445 -4.9503 -4.9503 -4.8060 -4.8060 -4.4950 -4.4950 1.9141 1.9141 2.4719 2.4719 2.7263 2.7263 3.1537 3.1537 3.2044 3.2044 3.4211 3.4211 3.6457 3.6457 3.9844 3.9844 4.1834 4.1834 4.8101 4.8101 4.9840 4.9840 5.1577 5.1577 5.9790 5.9790 6.1302 6.1302 9.0179 9.0179 9.7796 9.7796 10.5494 10.5494 10.7694 10.7694 11.0287 11.0287 k = 0.6815-0.2912-0.6725 ( 6254 PWs) bands (ev): -20.2348 -20.2348 -20.2335 -20.2335 -10.9570 -10.9570 -10.7073 -10.7073 -8.9166 -8.9166 -6.9117 -6.9117 -6.6613 -6.6613 -5.0388 -5.0388 -4.9382 -4.9382 -4.8028 -4.8028 -4.5018 -4.5018 1.9055 1.9055 2.4808 2.4808 2.7432 2.7432 3.1454 3.1454 3.2024 3.2024 3.4192 3.4192 3.6403 3.6403 3.9857 3.9857 4.1703 4.1703 4.8077 4.8077 4.9704 4.9704 5.1380 5.1380 5.9679 5.9679 6.1200 6.1200 9.0311 9.0311 9.7919 9.7919 10.5657 10.5657 10.7558 10.7558 11.0319 11.0319 k = 0.6748-0.2764-0.6452 ( 6252 PWs) bands (ev): -20.2379 -20.2379 -20.2365 -20.2365 -10.9450 -10.9450 -10.6944 -10.6944 -8.9225 -8.9225 -6.9060 -6.9060 -6.6626 -6.6626 -5.0335 -5.0335 -4.9261 -4.9261 -4.7988 -4.7988 -4.5088 -4.5088 1.8967 1.8967 2.4889 2.4889 2.7636 2.7636 3.1337 3.1337 3.1990 3.1990 3.4203 3.4203 3.6353 3.6353 3.9869 3.9869 4.1560 4.1560 4.8050 4.8050 4.9544 4.9544 5.1205 5.1205 5.9573 5.9573 6.1097 6.1097 9.0456 9.0456 9.8029 9.8029 10.5817 10.5817 10.7346 10.7346 11.0359 11.0359 k = 0.6681-0.2616-0.6179 ( 6260 PWs) bands (ev): -20.2411 -20.2411 -20.2396 -20.2396 -10.9329 -10.9329 -10.6813 -10.6813 -8.9285 -8.9285 -6.9008 -6.9008 -6.6636 -6.6636 -5.0285 -5.0285 -4.9143 -4.9143 -4.7939 -4.7939 -4.5160 -4.5160 1.8878 1.8878 2.4961 2.4961 2.7874 2.7874 3.1204 3.1204 3.1930 3.1930 3.4247 3.4247 3.6307 3.6307 3.9879 3.9879 4.1407 4.1407 4.8018 4.8018 4.9360 4.9360 5.1054 5.1054 5.9473 5.9473 6.0992 6.0992 9.0614 9.0614 9.8124 9.8124 10.5969 10.5969 10.7060 10.7060 11.0412 11.0412 k = 0.6614-0.2468-0.5906 ( 6256 PWs) bands (ev): -20.2442 -20.2442 -20.2428 -20.2428 -10.9205 -10.9205 -10.6679 -10.6679 -8.9345 -8.9345 -6.8958 -6.8958 -6.6643 -6.6643 -5.0237 -5.0237 -4.9027 -4.9027 -4.7883 -4.7883 -4.5232 -4.5232 1.8787 1.8787 2.5028 2.5028 2.8142 2.8142 3.1062 3.1062 3.1842 3.1842 3.4318 3.4318 3.6266 3.6266 3.9882 3.9882 4.1244 4.1244 4.7979 4.7979 4.9159 4.9159 5.0927 5.0927 5.9380 5.9380 6.0888 6.0888 9.0781 9.0781 9.8204 9.8204 10.6107 10.6107 10.6705 10.6705 11.0481 11.0481 k = 0.6546-0.2320-0.5633 ( 6262 PWs) bands (ev): -20.2474 -20.2474 -20.2459 -20.2459 -10.9080 -10.9080 -10.6543 -10.6543 -8.9404 -8.9404 -6.8911 -6.8911 -6.6648 -6.6648 -5.0190 -5.0190 -4.8914 -4.8914 -4.7819 -4.7819 -4.5306 -4.5306 1.8695 1.8695 2.5091 2.5091 2.8436 2.8436 3.0917 3.0917 3.1730 3.1730 3.4412 3.4412 3.6229 3.6229 3.9878 3.9878 4.1074 4.1074 4.7926 4.7926 4.8949 4.8949 5.0822 5.0822 5.9293 5.9293 6.0785 6.0785 9.0957 9.0957 9.8265 9.8265 10.6191 10.6191 10.6323 10.6323 11.0567 11.0567 k = 0.6479-0.2172-0.5360 ( 6262 PWs) bands (ev): -20.2507 -20.2507 -20.2491 -20.2491 -10.8955 -10.8955 -10.6406 -10.6406 -8.9464 -8.9464 -6.8867 -6.8867 -6.6652 -6.6652 -5.0144 -5.0144 -4.8806 -4.8806 -4.7750 -4.7750 -4.5380 -4.5380 1.8603 1.8603 2.5153 2.5153 2.8751 2.8751 3.0771 3.0771 3.1601 3.1601 3.4522 3.4522 3.6196 3.6196 3.9864 3.9864 4.0898 4.0898 4.7850 4.7850 4.8746 4.8746 5.0736 5.0736 5.9214 5.9214 6.0684 6.0684 9.1138 9.1138 9.8305 9.8305 10.5786 10.5786 10.6358 10.6358 11.0672 11.0672 k = 0.6412-0.2024-0.5087 ( 6264 PWs) bands (ev): -20.2539 -20.2539 -20.2522 -20.2522 -10.8829 -10.8829 -10.6270 -10.6270 -8.9522 -8.9522 -6.8825 -6.8825 -6.6654 -6.6654 -5.0096 -5.0096 -4.8702 -4.8702 -4.7678 -4.7678 -4.5456 -4.5456 1.8509 1.8509 2.5216 2.5216 2.9079 2.9079 3.0629 3.0629 3.1461 3.1461 3.4642 3.4642 3.6167 3.6167 3.9837 3.9837 4.0717 4.0717 4.7738 4.7738 4.8567 4.8567 5.0665 5.0665 5.9143 5.9143 6.0585 6.0585 9.1322 9.1322 9.8319 9.8319 10.5261 10.5261 10.6453 10.6453 11.0793 11.0793 k = 0.6345-0.1876-0.4814 ( 6246 PWs) bands (ev): -20.2570 -20.2570 -20.2554 -20.2554 -10.8703 -10.8703 -10.6133 -10.6133 -8.9579 -8.9579 -6.8785 -6.8785 -6.6657 -6.6657 -5.0047 -5.0047 -4.8602 -4.8602 -4.7603 -4.7603 -4.5534 -4.5534 1.8416 1.8416 2.5281 2.5281 2.9409 2.9409 3.0499 3.0499 3.1320 3.1320 3.4768 3.4768 3.6143 3.6143 3.9795 3.9795 4.0536 4.0536 4.7580 4.7580 4.8429 4.8429 5.0606 5.0606 5.9080 5.9080 6.0490 6.0490 9.1505 9.1505 9.8304 9.8304 10.4694 10.4694 10.6542 10.6542 11.0927 11.0927 k = 0.6278-0.1728-0.4541 ( 6250 PWs) bands (ev): -20.2602 -20.2602 -20.2585 -20.2585 -10.8579 -10.8579 -10.5998 -10.5998 -8.9635 -8.9635 -6.8745 -6.8745 -6.6660 -6.6660 -4.9995 -4.9995 -4.8505 -4.8505 -4.7528 -4.7528 -4.5612 -4.5612 1.8323 1.8323 2.5351 2.5351 2.9708 2.9708 3.0401 3.0401 3.1187 3.1187 3.4895 3.4895 3.6125 3.6125 3.9735 3.9735 4.0357 4.0357 4.7377 4.7377 4.8332 4.8332 5.0556 5.0556 5.9025 5.9025 6.0398 6.0398 9.1685 9.1685 9.8255 9.8255 10.4098 10.4098 10.6629 10.6629 11.1071 11.1071 k = 0.6210-0.1580-0.4268 ( 6244 PWs) bands (ev): -20.2633 -20.2633 -20.2615 -20.2615 -10.8456 -10.8456 -10.5865 -10.5865 -8.9689 -8.9689 -6.8706 -6.8706 -6.6664 -6.6664 -4.9940 -4.9940 -4.8412 -4.8412 -4.7453 -4.7453 -4.5692 -4.5692 1.8231 1.8231 2.5426 2.5426 2.9887 2.9887 3.0401 3.0401 3.1090 3.1090 3.5019 3.5019 3.6114 3.6114 3.9653 3.9653 4.0184 4.0184 4.7144 4.7144 4.8268 4.8268 5.0513 5.0513 5.8978 5.8978 6.0311 6.0311 9.1858 9.1858 9.8168 9.8168 10.3484 10.3484 10.6720 10.6720 11.1218 11.1218 k = 0.6143-0.1432-0.3995 ( 6244 PWs) bands (ev): -20.2663 -20.2663 -20.2645 -20.2645 -10.8335 -10.8335 -10.5735 -10.5735 -8.9740 -8.9740 -6.8667 -6.8667 -6.6671 -6.6671 -4.9882 -4.9882 -4.8322 -4.8322 -4.7382 -4.7382 -4.5773 -4.5773 1.8139 1.8139 2.5508 2.5508 2.9876 2.9876 3.0490 3.0490 3.1105 3.1105 3.5137 3.5137 3.6111 3.6111 3.9546 3.9546 4.0021 4.0021 4.6896 4.6896 4.8223 4.8223 5.0477 5.0477 5.8938 5.8938 6.0229 6.0229 9.2021 9.2021 9.8038 9.8038 10.2862 10.2862 10.6820 10.6820 11.1364 11.1364 k = 0.6076-0.1284-0.3722 ( 6242 PWs) bands (ev): -20.2692 -20.2692 -20.2674 -20.2674 -10.8217 -10.8217 -10.5608 -10.5608 -8.9789 -8.9789 -6.8627 -6.8627 -6.6680 -6.6680 -4.9820 -4.9820 -4.8235 -4.8235 -4.7313 -4.7313 -4.5856 -4.5856 1.8050 1.8050 2.5596 2.5596 2.9782 2.9782 3.0479 3.0479 3.1313 3.1313 3.5245 3.5245 3.6120 3.6120 3.9416 3.9416 3.9869 3.9869 4.6644 4.6644 4.8192 4.8192 5.0446 5.0446 5.8905 5.8905 6.0153 6.0153 9.2172 9.2172 9.7862 9.7862 10.2243 10.2243 10.6936 10.6936 11.1504 11.1504 k = 0.6009-0.1136-0.3449 ( 6244 PWs) bands (ev): -20.2721 -20.2721 -20.2702 -20.2702 -10.8103 -10.8103 -10.5486 -10.5486 -8.9835 -8.9835 -6.8586 -6.8586 -6.6692 -6.6692 -4.9754 -4.9754 -4.8150 -4.8150 -4.7250 -4.7250 -4.5940 -4.5940 1.7962 1.7962 2.5689 2.5689 2.9669 2.9669 3.0386 3.0386 3.1633 3.1633 3.5338 3.5338 3.6144 3.6144 3.9266 3.9266 3.9723 3.9723 4.6394 4.6394 4.8168 4.8168 5.0419 5.0419 5.8879 5.8879 6.0083 6.0083 9.2308 9.2308 9.7636 9.7636 10.1639 10.1639 10.7071 10.7071 11.1633 11.1633 k = 0.5941-0.0988-0.3176 ( 6232 PWs) bands (ev): -20.2748 -20.2748 -20.2729 -20.2729 -10.7993 -10.7993 -10.5368 -10.5368 -8.9878 -8.9878 -6.8545 -6.8545 -6.6708 -6.6708 -4.9685 -4.9685 -4.8068 -4.8068 -4.7192 -4.7192 -4.6025 -4.6025 1.7878 1.7878 2.5789 2.5789 2.9554 2.9554 3.0269 3.0269 3.1987 3.1987 3.5413 3.5413 3.6186 3.6186 3.9106 3.9106 3.9578 3.9578 4.6152 4.6152 4.8149 4.8149 5.0396 5.0396 5.8859 5.8859 6.0020 6.0020 9.2427 9.2427 9.7360 9.7360 10.1060 10.1060 10.7230 10.7230 11.1747 11.1747 k = 0.5874-0.0840-0.2903 ( 6238 PWs) bands (ev): -20.2774 -20.2774 -20.2754 -20.2754 -10.7887 -10.7887 -10.5255 -10.5255 -8.9919 -8.9919 -6.8502 -6.8502 -6.6727 -6.6727 -4.9612 -4.9612 -4.7988 -4.7988 -4.7141 -4.7141 -4.6112 -4.6112 1.7796 1.7796 2.5893 2.5893 2.9442 2.9442 3.0149 3.0149 3.2347 3.2347 3.5467 3.5467 3.6247 3.6247 3.8941 3.8941 3.9429 3.9429 4.5921 4.5921 4.8134 4.8134 5.0376 5.0376 5.8843 5.8843 5.9963 5.9963 9.2529 9.2529 9.7035 9.7035 10.0514 10.0514 10.7414 10.7414 11.1844 11.1844 k = 0.5807-0.0692-0.2630 ( 6236 PWs) bands (ev): -20.2799 -20.2799 -20.2779 -20.2779 -10.7787 -10.7787 -10.5149 -10.5149 -8.9956 -8.9956 -6.8457 -6.8457 -6.6750 -6.6750 -4.9535 -4.9535 -4.7910 -4.7910 -4.7096 -4.7096 -4.6199 -4.6199 1.7718 1.7718 2.6001 2.6001 2.9337 2.9337 3.0033 3.0033 3.2702 3.2702 3.5501 3.5501 3.6326 3.6326 3.8777 3.8777 3.9273 3.9273 4.5705 4.5705 4.8121 4.8121 5.0359 5.0359 5.8831 5.8831 5.9914 5.9914 9.2613 9.2613 9.6667 9.6667 10.0008 10.0008 10.7623 10.7623 11.1915 11.1915 k = 0.5740-0.0545-0.2358 ( 6236 PWs) bands (ev): -20.2822 -20.2822 -20.2802 -20.2802 -10.7692 -10.7692 -10.5049 -10.5049 -8.9990 -8.9990 -6.8411 -6.8411 -6.6777 -6.6777 -4.9456 -4.9456 -4.7834 -4.7834 -4.7058 -4.7058 -4.6287 -4.6287 1.7644 1.7644 2.6111 2.6111 2.9239 2.9239 2.9923 2.9923 3.3046 3.3046 3.5520 3.5520 3.6418 3.6418 3.8619 3.8619 3.9108 3.9108 4.5505 4.5505 4.8111 4.8111 5.0344 5.0344 5.8823 5.8823 5.9872 5.9872 9.2681 9.2681 9.6264 9.6264 9.9545 9.9545 10.7855 10.7855 11.1933 11.1933 k = 0.5672-0.0397-0.2085 ( 6242 PWs) bands (ev): -20.2844 -20.2844 -20.2823 -20.2823 -10.7604 -10.7604 -10.4956 -10.4956 -9.0020 -9.0020 -6.8364 -6.8364 -6.6807 -6.6807 -4.9374 -4.9374 -4.7761 -4.7761 -4.7027 -4.7027 -4.6375 -4.6375 1.7575 1.7575 2.6222 2.6222 2.9149 2.9149 2.9822 2.9822 3.3373 3.3373 3.5526 3.5526 3.6520 3.6520 3.8471 3.8471 3.8937 3.8937 4.5322 4.5322 4.8102 4.8102 5.0332 5.0332 5.8816 5.8816 5.9838 5.9838 9.2732 9.2732 9.5839 9.5839 9.9126 9.9126 10.8108 10.8108 11.1803 11.1803 k = 0.5605-0.0249-0.1812 ( 6234 PWs) bands (ev): -20.2864 -20.2864 -20.2843 -20.2843 -10.7523 -10.7523 -10.4871 -10.4871 -9.0048 -9.0048 -6.8315 -6.8315 -6.6840 -6.6840 -4.9292 -4.9292 -4.7690 -4.7690 -4.7004 -4.7004 -4.6463 -4.6463 1.7511 1.7511 2.6330 2.6330 2.9070 2.9070 2.9730 2.9730 3.3681 3.3681 3.5524 3.5524 3.6624 3.6624 3.8333 3.8333 3.8760 3.8760 4.5158 4.5158 4.8095 4.8095 5.0321 5.0321 5.8811 5.8811 5.9811 5.9811 9.2769 9.2769 9.5407 9.5407 9.8749 9.8749 10.8379 10.8379 11.1592 11.1592 k = 0.5538-0.0101-0.1539 ( 6244 PWs) bands (ev): -20.2882 -20.2882 -20.2861 -20.2861 -10.7448 -10.7448 -10.4793 -10.4793 -9.0072 -9.0072 -6.8267 -6.8267 -6.6875 -6.6875 -4.9209 -4.9209 -4.7622 -4.7622 -4.6987 -4.6987 -4.6550 -4.6550 1.7453 1.7453 2.6433 2.6433 2.9001 2.9001 2.9649 2.9649 3.3967 3.3967 3.5515 3.5515 3.6727 3.6727 3.8210 3.8210 3.8580 3.8580 4.5012 4.5012 4.8088 4.8088 5.0312 5.0312 5.8807 5.8807 5.9791 5.9791 9.2794 9.2794 9.4981 9.4981 9.8412 9.8412 10.8661 10.8661 11.1382 11.1382 k = 0.5471 0.0047-0.1266 ( 6240 PWs) bands (ev): -20.2898 -20.2898 -20.2877 -20.2877 -10.7382 -10.7382 -10.4724 -10.4724 -9.0094 -9.0094 -6.8219 -6.8219 -6.6912 -6.6912 -4.9128 -4.9128 -4.7557 -4.7557 -4.6976 -4.6976 -4.6635 -4.6635 1.7401 1.7401 2.6531 2.6531 2.8942 2.8942 2.9577 2.9577 3.4229 3.4229 3.5503 3.5503 3.6823 3.6823 3.8102 3.8102 3.8403 3.8403 4.4885 4.4885 4.8083 4.8083 5.0305 5.0305 5.8804 5.8804 5.9776 5.9776 9.2810 9.2810 9.4575 9.4575 9.8114 9.8114 10.8951 10.8951 11.1188 11.1188 k = 0.5403 0.0195-0.0993 ( 6236 PWs) bands (ev): -20.2912 -20.2912 -20.2890 -20.2890 -10.7324 -10.7324 -10.4664 -10.4664 -9.0112 -9.0112 -6.8172 -6.8172 -6.6949 -6.6949 -4.9050 -4.9050 -4.7495 -4.7495 -4.6971 -4.6971 -4.6717 -4.6717 1.7354 1.7354 2.6619 2.6619 2.8894 2.8894 2.9515 2.9515 3.4467 3.4467 3.5488 3.5488 3.6907 3.6907 3.8007 3.8007 3.8237 3.8237 4.4777 4.4777 4.8078 4.8078 5.0299 5.0299 5.8801 5.8801 5.9767 5.9767 9.2817 9.2817 9.4200 9.4200 9.7854 9.7854 10.9243 10.9243 11.1017 11.1017 k = 0.5336 0.0343-0.0720 ( 6248 PWs) bands (ev): -20.2924 -20.2924 -20.2902 -20.2902 -10.7274 -10.7274 -10.4612 -10.4612 -9.0127 -9.0127 -6.8127 -6.8127 -6.6986 -6.6986 -4.8977 -4.8977 -4.7436 -4.7436 -4.6972 -4.6972 -4.6794 -4.6794 1.7315 1.7315 2.6696 2.6696 2.8856 2.8856 2.9463 2.9463 3.4678 3.4678 3.5471 3.5471 3.6975 3.6975 3.7920 3.7920 3.8094 3.8094 4.4686 4.4686 4.8074 4.8074 5.0294 5.0294 5.8798 5.8798 5.9762 5.9762 9.2820 9.2820 9.3867 9.3867 9.7632 9.7632 10.9530 10.9530 11.0870 11.0870 k = 0.5269 0.0491-0.0447 ( 6244 PWs) bands (ev): -20.2934 -20.2934 -20.2912 -20.2912 -10.7232 -10.7232 -10.4570 -10.4570 -9.0139 -9.0139 -6.8087 -6.8087 -6.7020 -6.7020 -4.8911 -4.8911 -4.7382 -4.7382 -4.6976 -4.6976 -4.6866 -4.6866 1.7282 1.7282 2.6761 2.6761 2.8828 2.8828 2.9421 2.9421 3.4863 3.4863 3.5454 3.5454 3.7023 3.7023 3.7825 3.7825 3.7998 3.7998 4.4613 4.4613 4.8071 4.8071 5.0290 5.0290 5.8795 5.8795 5.9760 5.9760 9.2819 9.2819 9.3584 9.3584 9.7449 9.7449 10.9806 10.9806 11.0749 11.0749 k = 0.5202 0.0639-0.0174 ( 6246 PWs) bands (ev): -20.2942 -20.2942 -20.2920 -20.2920 -10.7200 -10.7200 -10.4536 -10.4536 -9.0149 -9.0149 -6.8052 -6.8052 -6.7049 -6.7049 -4.8856 -4.8856 -4.7332 -4.7332 -4.6983 -4.6983 -4.6929 -4.6929 1.7256 1.7256 2.6812 2.6812 2.8808 2.8808 2.9389 2.9389 3.5019 3.5019 3.5435 3.5435 3.7050 3.7050 3.7725 3.7725 3.7949 3.7949 4.4556 4.4556 4.8069 4.8069 5.0287 5.0287 5.8793 5.8793 5.9760 5.9760 9.2817 9.2817 9.3356 9.3356 9.7305 9.7305 11.0063 11.0063 11.0655 11.0655 k = 0.5134 0.0787 0.0099 ( 6244 PWs) bands (ev): -20.2947 -20.2947 -20.2926 -20.2926 -10.7177 -10.7177 -10.4512 -10.4512 -9.0156 -9.0156 -6.8025 -6.8025 -6.7073 -6.7073 -4.8814 -4.8814 -4.7288 -4.7288 -4.6997 -4.6997 -4.6975 -4.6975 1.7237 1.7237 2.6849 2.6849 2.8794 2.8794 2.9366 2.9366 3.5143 3.5143 3.5414 3.5414 3.7060 3.7060 3.7642 3.7642 3.7928 3.7928 4.4516 4.4516 4.8068 4.8068 5.0285 5.0285 5.8791 5.8791 5.9760 5.9760 9.2815 9.2815 9.3190 9.3190 9.7201 9.7201 11.0284 11.0284 11.0592 11.0592 k = 0.5067 0.0935 0.0372 ( 6240 PWs) bands (ev): -20.2951 -20.2951 -20.2929 -20.2929 -10.7163 -10.7163 -10.4498 -10.4498 -9.0160 -9.0160 -6.8008 -6.8008 -6.7088 -6.7088 -4.8788 -4.8788 -4.7256 -4.7256 -4.7027 -4.7027 -4.6989 -4.6989 1.7226 1.7226 2.6871 2.6871 2.8787 2.8787 2.9353 2.9353 3.5231 3.5231 3.5392 3.5392 3.7060 3.7060 3.7589 3.7589 3.7920 3.7920 4.4493 4.4493 4.8067 4.8067 5.0284 5.0284 5.8790 5.8790 5.9761 5.9761 9.2814 9.2814 9.3088 9.3088 9.7138 9.7138 11.0434 11.0434 11.0572 11.0572 k = 0.5000 0.1083 0.0645 ( 6252 PWs) bands (ev): -20.2952 -20.2952 -20.2930 -20.2930 -10.7158 -10.7158 -10.4493 -10.4493 -9.0161 -9.0161 -6.8002 -6.8002 -6.7093 -6.7093 -4.8779 -4.8779 -4.7243 -4.7243 -4.7041 -4.7041 -4.6992 -4.6992 1.7222 1.7222 2.6878 2.6878 2.8785 2.8785 2.9348 2.9348 3.5267 3.5267 3.5377 3.5377 3.7059 3.7059 3.7571 3.7571 3.7918 3.7918 4.4484 4.4484 4.8066 4.8066 5.0283 5.0283 5.8790 5.8790 5.9761 5.9761 9.2813 9.2813 9.3054 9.3054 9.7118 9.7118 11.0471 11.0471 11.0589 11.0589 k = 0.5000 0.1083 0.0645 ( 6252 PWs) bands (ev): -20.2952 -20.2952 -20.2930 -20.2930 -10.7158 -10.7158 -10.4493 -10.4493 -9.0161 -9.0161 -6.8002 -6.8002 -6.7093 -6.7093 -4.8779 -4.8779 -4.7243 -4.7243 -4.7041 -4.7041 -4.6992 -4.6992 1.7222 1.7222 2.6878 2.6878 2.8785 2.8785 2.9348 2.9348 3.5267 3.5267 3.5377 3.5377 3.7059 3.7059 3.7571 3.7571 3.7918 3.7918 4.4484 4.4484 4.8066 4.8066 5.0283 5.0283 5.8790 5.8790 5.9761 5.9761 9.2813 9.2813 9.3054 9.3054 9.7118 9.7118 11.0471 11.0471 11.0589 11.0589 k = 0.4706 0.1019 0.0607 ( 6237 PWs) bands (ev): -20.2952 -20.2952 -20.2930 -20.2930 -10.7158 -10.7158 -10.4493 -10.4493 -9.0161 -9.0161 -6.8002 -6.8002 -6.7094 -6.7094 -4.8777 -4.8777 -4.7245 -4.7245 -4.7041 -4.7041 -4.6992 -4.6992 1.7227 1.7227 2.6869 2.6869 2.8786 2.8786 2.9354 2.9354 3.5192 3.5192 3.5414 3.5414 3.7109 3.7109 3.7375 3.7375 3.8112 3.8112 4.4482 4.4482 4.8066 4.8066 5.0283 5.0283 5.8786 5.8786 5.9757 5.9757 9.2255 9.2255 9.3576 9.3576 9.7192 9.7192 11.0471 11.0471 11.0590 11.0590 k = 0.4412 0.0955 0.0569 ( 6240 PWs) bands (ev): -20.2953 -20.2953 -20.2929 -20.2929 -10.7159 -10.7159 -10.4492 -10.4492 -9.0161 -9.0161 -6.7999 -6.7999 -6.7096 -6.7096 -4.8772 -4.8772 -4.7250 -4.7250 -4.7041 -4.7041 -4.6992 -4.6992 1.7241 1.7241 2.6840 2.6840 2.8791 2.8791 2.9373 2.9373 3.5028 3.5028 3.5474 3.5474 3.7069 3.7069 3.7245 3.7245 3.8410 3.8410 4.4475 4.4475 4.8066 4.8066 5.0283 5.0283 5.8774 5.8774 5.9744 5.9744 9.1583 9.1583 9.4130 9.4130 9.7423 9.7423 11.0471 11.0471 11.0591 11.0591 k = 0.4118 0.0892 0.0531 ( 6246 PWs) bands (ev): -20.2954 -20.2954 -20.2928 -20.2928 -10.7160 -10.7160 -10.4491 -10.4491 -9.0162 -9.0162 -6.7996 -6.7996 -6.7099 -6.7099 -4.8764 -4.8764 -4.7260 -4.7260 -4.7041 -4.7041 -4.6993 -4.6993 1.7264 1.7264 2.6791 2.6791 2.8800 2.8800 2.9403 2.9403 3.4813 3.4813 3.5549 3.5549 3.6750 3.6750 3.7436 3.7436 3.8716 3.8716 4.4462 4.4462 4.8065 4.8065 5.0283 5.0283 5.8755 5.8755 5.9723 5.9723 9.0918 9.0918 9.4581 9.4581 9.7825 9.7825 11.0470 11.0470 11.0592 11.0592 k = 0.3824 0.0828 0.0493 ( 6240 PWs) bands (ev): -20.2956 -20.2956 -20.2926 -20.2926 -10.7161 -10.7161 -10.4489 -10.4489 -9.0163 -9.0163 -6.7990 -6.7990 -6.7103 -6.7103 -4.8752 -4.8752 -4.7272 -4.7272 -4.7040 -4.7040 -4.6993 -4.6993 1.7296 1.7296 2.6724 2.6724 2.8817 2.8817 2.9445 2.9445 3.4566 3.4566 3.5643 3.5643 3.6431 3.6431 3.7657 3.7657 3.9017 3.9017 4.4445 4.4445 4.8064 4.8064 5.0283 5.0283 5.8730 5.8730 5.9695 5.9695 9.0272 9.0272 9.4920 9.4920 9.8392 9.8392 11.0469 11.0469 11.0594 11.0594 k = 0.3529 0.0764 0.0455 ( 6237 PWs) bands (ev): -20.2957 -20.2957 -20.2925 -20.2925 -10.7163 -10.7163 -10.4487 -10.4487 -9.0163 -9.0163 -6.7984 -6.7984 -6.7109 -6.7109 -4.8738 -4.8738 -4.7288 -4.7288 -4.7040 -4.7040 -4.6994 -4.6994 1.7335 1.7335 2.6639 2.6639 2.8843 2.8843 2.9497 2.9497 3.4302 3.4302 3.5752 3.5752 3.6116 3.6116 3.7890 3.7890 3.9309 3.9309 4.4424 4.4424 4.8063 4.8063 5.0282 5.0282 5.8699 5.8699 5.9660 5.9660 8.9656 8.9656 9.5165 9.5165 9.9091 9.9091 11.0468 11.0468 11.0596 11.0596 k = 0.3235 0.0701 0.0417 ( 6246 PWs) bands (ev): -20.2959 -20.2959 -20.2923 -20.2923 -10.7165 -10.7165 -10.4485 -10.4485 -9.0164 -9.0164 -6.7977 -6.7977 -6.7115 -6.7115 -4.8721 -4.8721 -4.7307 -4.7307 -4.7039 -4.7039 -4.6995 -4.6995 1.7380 1.7380 2.6538 2.6538 2.8881 2.8881 2.9561 2.9561 3.4030 3.4030 3.5806 3.5806 3.5875 3.5875 3.8126 3.8126 3.9589 3.9589 4.4399 4.4399 4.8062 4.8062 5.0282 5.0282 5.8662 5.8662 5.9619 5.9619 8.9074 8.9074 9.5346 9.5346 9.9882 9.9882 11.0465 11.0465 11.0598 11.0598 k = 0.2941 0.0637 0.0379 ( 6249 PWs) bands (ev): -20.2961 -20.2961 -20.2921 -20.2921 -10.7167 -10.7167 -10.4483 -10.4483 -9.0165 -9.0165 -6.7968 -6.7968 -6.7123 -6.7123 -4.8702 -4.8702 -4.7328 -4.7328 -4.7038 -4.7038 -4.6995 -4.6995 1.7430 1.7430 2.6425 2.6425 2.8932 2.8932 2.9633 2.9633 3.3755 3.3755 3.5505 3.5505 3.6006 3.6006 3.8356 3.8356 3.9856 3.9856 4.4371 4.4371 4.8060 4.8060 5.0282 5.0282 5.8622 5.8622 5.9575 5.9575 8.8532 8.8532 9.5486 9.5486 10.0730 10.0730 11.0462 11.0462 11.0599 11.0599 k = 0.2647 0.0573 0.0341 ( 6231 PWs) bands (ev): -20.2962 -20.2962 -20.2920 -20.2920 -10.7169 -10.7169 -10.4480 -10.4480 -9.0166 -9.0166 -6.7959 -6.7959 -6.7130 -6.7130 -4.8681 -4.8681 -4.7351 -4.7351 -4.7037 -4.7037 -4.6996 -4.6996 1.7485 1.7485 2.6304 2.6304 2.8995 2.8995 2.9714 2.9714 3.3484 3.3484 3.5214 3.5214 3.6142 3.6142 3.8578 3.8578 4.0106 4.0106 4.4340 4.4340 4.8059 4.8059 5.0281 5.0281 5.8580 5.8580 5.9528 5.9528 8.8034 8.8034 9.5602 9.5602 10.1607 10.1607 11.0458 11.0458 11.0600 11.0600 k = 0.2353 0.0510 0.0303 ( 6246 PWs) bands (ev): -20.2964 -20.2964 -20.2918 -20.2918 -10.7171 -10.7171 -10.4477 -10.4477 -9.0167 -9.0167 -6.7950 -6.7950 -6.7138 -6.7138 -4.8660 -4.8660 -4.7375 -4.7375 -4.7036 -4.7036 -4.6997 -4.6997 1.7541 1.7541 2.6179 2.6179 2.9070 2.9070 2.9801 2.9801 3.3218 3.3218 3.4937 3.4937 3.6278 3.6278 3.8785 3.8785 4.0336 4.0336 4.4309 4.4309 4.8056 4.8056 5.0281 5.0281 5.8536 5.8536 5.9479 5.9479 8.7581 8.7581 9.5700 9.5700 10.2488 10.2488 11.0453 11.0453 11.0600 11.0600 k = 0.2059 0.0446 0.0265 ( 6237 PWs) bands (ev): -20.2965 -20.2965 -20.2917 -20.2917 -10.7173 -10.7173 -10.4474 -10.4474 -9.0169 -9.0169 -6.7941 -6.7941 -6.7147 -6.7147 -4.8637 -4.8637 -4.7399 -4.7399 -4.7035 -4.7035 -4.6998 -4.6998 1.7598 1.7598 2.6054 2.6054 2.9155 2.9155 2.9893 2.9893 3.2963 3.2963 3.4676 3.4676 3.6409 3.6409 3.8976 3.8976 4.0547 4.0547 4.4277 4.4277 4.8055 4.8055 5.0280 5.0280 5.8494 5.8494 5.9431 5.9431 8.7176 8.7176 9.5787 9.5787 10.3351 10.3351 11.0447 11.0447 11.0599 11.0599 k = 0.1765 0.0382 0.0228 ( 6243 PWs) bands (ev): -20.2967 -20.2967 -20.2915 -20.2915 -10.7175 -10.7175 -10.4472 -10.4472 -9.0170 -9.0170 -6.7932 -6.7932 -6.7154 -6.7154 -4.8615 -4.8615 -4.7423 -4.7423 -4.7034 -4.7034 -4.6999 -4.6999 1.7654 1.7654 2.5935 2.5935 2.9247 2.9247 2.9986 2.9986 3.2721 3.2721 3.4435 3.4435 3.6532 3.6532 3.9147 3.9147 4.0734 4.0734 4.4246 4.4246 4.8053 4.8053 5.0280 5.0280 5.8453 5.8453 5.9385 5.9385 8.6822 8.6822 9.5863 9.5863 10.4168 10.4168 11.0441 11.0441 11.0598 11.0598 k = 0.1471 0.0318 0.0190 ( 6240 PWs) bands (ev): -20.2968 -20.2968 -20.2914 -20.2914 -10.7177 -10.7177 -10.4470 -10.4470 -9.0170 -9.0170 -6.7924 -6.7924 -6.7162 -6.7162 -4.8594 -4.8594 -4.7446 -4.7446 -4.7033 -4.7033 -4.7000 -4.7000 1.7705 1.7705 2.5825 2.5825 2.9343 2.9343 3.0077 3.0077 3.2498 3.2498 3.4217 3.4217 3.6643 3.6643 3.9297 3.9297 4.0896 4.0896 4.4216 4.4216 4.8051 4.8051 5.0279 5.0279 5.8415 5.8415 5.9344 5.9344 8.6519 8.6519 9.5929 9.5929 10.4912 10.4912 11.0436 11.0436 11.0597 11.0597 k = 0.1176 0.0255 0.0152 ( 6239 PWs) bands (ev): -20.2969 -20.2969 -20.2913 -20.2913 -10.7179 -10.7179 -10.4468 -10.4468 -9.0171 -9.0171 -6.7916 -6.7916 -6.7168 -6.7168 -4.8575 -4.8575 -4.7466 -4.7466 -4.7032 -4.7032 -4.7001 -4.7001 1.7751 1.7751 2.5729 2.5729 2.9438 2.9438 3.0163 3.0163 3.2299 3.2299 3.4028 3.4028 3.6738 3.6738 3.9422 3.9422 4.1031 4.1031 4.4191 4.4191 4.8050 4.8050 5.0279 5.0279 5.8383 5.8383 5.9307 5.9307 8.6270 8.6270 9.5984 9.5984 10.5551 10.5551 11.0432 11.0432 11.0595 11.0595 k = 0.0882 0.0191 0.0114 ( 6251 PWs) bands (ev): -20.2969 -20.2969 -20.2913 -20.2913 -10.7180 -10.7180 -10.4466 -10.4466 -9.0172 -9.0172 -6.7910 -6.7910 -6.7174 -6.7174 -4.8560 -4.8560 -4.7483 -4.7483 -4.7031 -4.7031 -4.7002 -4.7002 1.7788 1.7788 2.5651 2.5651 2.9526 2.9526 3.0237 3.0237 3.2129 3.2129 3.3872 3.3872 3.6816 3.6816 3.9521 3.9521 4.1138 4.1138 4.4169 4.4169 4.8048 4.8048 5.0278 5.0278 5.8355 5.8355 5.9277 5.9277 8.6075 8.6075 9.6029 9.6029 10.6059 10.6059 11.0429 11.0429 11.0593 11.0593 k = 0.0588 0.0127 0.0076 ( 6230 PWs) bands (ev): -20.2970 -20.2970 -20.2912 -20.2912 -10.7181 -10.7181 -10.4465 -10.4465 -9.0172 -9.0172 -6.7906 -6.7906 -6.7178 -6.7178 -4.8548 -4.8548 -4.7496 -4.7496 -4.7031 -4.7031 -4.7003 -4.7003 1.7817 1.7817 2.5592 2.5592 2.9598 2.9598 3.0296 3.0296 3.1998 3.1998 3.3755 3.3755 3.6873 3.6873 3.9593 3.9593 4.1215 4.1215 4.4153 4.4153 4.8048 4.8048 5.0278 5.0278 5.8336 5.8336 5.9255 5.9255 8.5935 8.5935 9.6061 9.6061 10.6420 10.6420 11.0427 11.0427 11.0592 11.0592 k = 0.0294 0.0064 0.0038 ( 6218 PWs) bands (ev): -20.2970 -20.2970 -20.2912 -20.2912 -10.7182 -10.7182 -10.4464 -10.4464 -9.0173 -9.0173 -6.7903 -6.7903 -6.7180 -6.7180 -4.8540 -4.8540 -4.7504 -4.7504 -4.7030 -4.7030 -4.7003 -4.7003 1.7834 1.7834 2.5557 2.5557 2.9647 2.9647 3.0334 3.0334 3.1915 3.1915 3.3682 3.3682 3.6907 3.6907 3.9637 3.9637 4.1262 4.1262 4.4143 4.4143 4.8047 4.8047 5.0278 5.0278 5.8324 5.8324 5.9241 5.9241 8.5850 8.5850 9.6081 9.6081 10.6633 10.6633 11.0426 11.0426 11.0591 11.0591 k = 0.0000 0.0000 0.0000 ( 6227 PWs) bands (ev): -20.2970 -20.2970 -20.2912 -20.2912 -10.7182 -10.7182 -10.4464 -10.4464 -9.0173 -9.0173 -6.7902 -6.7902 -6.7181 -6.7181 -4.8537 -4.8537 -4.7507 -4.7507 -4.7030 -4.7030 -4.7003 -4.7003 1.7840 1.7840 2.5544 2.5544 2.9664 2.9664 3.0347 3.0347 3.1886 3.1886 3.3658 3.3658 3.6919 3.6919 3.9652 3.9652 4.1278 4.1278 4.4139 4.4139 4.8047 4.8047 5.0278 5.0278 5.8320 5.8320 5.9236 5.9236 8.5822 8.5822 9.6087 9.6087 10.6703 10.6703 11.0425 11.0425 11.0591 11.0591 k = 0.0000 0.0000 0.0000 ( 6227 PWs) bands (ev): -20.2970 -20.2970 -20.2912 -20.2912 -10.7182 -10.7182 -10.4464 -10.4464 -9.0173 -9.0173 -6.7902 -6.7902 -6.7181 -6.7181 -4.8537 -4.8537 -4.7507 -4.7507 -4.7030 -4.7030 -4.7003 -4.7003 1.7840 1.7840 2.5544 2.5544 2.9664 2.9664 3.0347 3.0347 3.1886 3.1886 3.3658 3.3658 3.6919 3.6919 3.9652 3.9652 4.1278 4.1278 4.4139 4.4139 4.8047 4.8047 5.0278 5.0278 5.8320 5.8320 5.9236 5.9236 8.5822 8.5822 9.6087 9.6087 10.6703 10.6703 11.0425 11.0425 11.0591 11.0591 k = 0.0068-0.0149-0.0275 ( 6219 PWs) bands (ev): -20.2969 -20.2969 -20.2910 -20.2910 -10.7186 -10.7186 -10.4469 -10.4469 -9.0171 -9.0171 -6.7910 -6.7910 -6.7174 -6.7174 -4.8550 -4.8550 -4.7509 -4.7509 -4.7026 -4.7026 -4.6998 -4.6998 1.7843 1.7843 2.5530 2.5530 2.9675 2.9675 3.0352 3.0352 3.1895 3.1895 3.3661 3.3661 3.6919 3.6919 3.9639 3.9639 4.1258 4.1258 4.4159 4.4159 4.8048 4.8048 5.0279 5.0279 5.8324 5.8324 5.9240 5.9240 8.5847 8.5847 9.6107 9.6107 10.6696 10.6696 11.0435 11.0435 11.0600 11.0600 k = 0.0135-0.0298-0.0550 ( 6227 PWs) bands (ev): -20.2966 -20.2966 -20.2907 -20.2907 -10.7200 -10.7200 -10.4484 -10.4484 -9.0167 -9.0167 -6.7933 -6.7933 -6.7153 -6.7153 -4.8587 -4.8587 -4.7515 -4.7515 -4.7013 -4.7013 -4.6983 -4.6983 1.7851 1.7851 2.5488 2.5488 2.9705 2.9705 3.0366 3.0366 3.1920 3.1920 3.3671 3.3671 3.6917 3.6917 3.9602 3.9602 4.1201 4.1201 4.4218 4.4218 4.8049 4.8049 5.0280 5.0280 5.8335 5.8335 5.9249 5.9249 8.5920 8.5920 9.6164 9.6164 10.6674 10.6674 11.0463 11.0463 11.0625 11.0625 k = 0.0203-0.0447-0.0825 ( 6231 PWs) bands (ev): -20.2960 -20.2960 -20.2902 -20.2902 -10.7223 -10.7223 -10.4509 -10.4509 -9.0160 -9.0160 -6.7968 -6.7968 -6.7122 -6.7122 -4.8645 -4.8645 -4.7529 -4.7529 -4.6998 -4.6998 -4.6951 -4.6951 1.7865 1.7865 2.5421 2.5421 2.9753 2.9753 3.0390 3.0390 3.1961 3.1961 3.3688 3.3688 3.6915 3.6915 3.9537 3.9537 4.1115 4.1115 4.4310 4.4310 4.8052 4.8052 5.0283 5.0283 5.8354 5.8354 5.9266 5.9266 8.6041 8.6041 9.6258 9.6258 10.6638 10.6638 11.0504 11.0504 11.0665 11.0665 k = 0.0271-0.0596-0.1100 ( 6233 PWs) bands (ev): -20.2952 -20.2952 -20.2894 -20.2894 -10.7255 -10.7255 -10.4545 -10.4545 -9.0150 -9.0150 -6.8012 -6.8012 -6.7083 -6.7083 -4.8717 -4.8717 -4.7554 -4.7554 -4.6986 -4.6986 -4.6900 -4.6900 1.7883 1.7883 2.5335 2.5335 2.9811 2.9811 3.0423 3.0423 3.2018 3.2018 3.3711 3.3711 3.6912 3.6912 3.9443 3.9443 4.1013 4.1013 4.4430 4.4430 4.8056 4.8056 5.0287 5.0287 5.8380 5.8380 5.9288 5.9288 8.6207 8.6207 9.6388 9.6388 10.6586 10.6586 11.0553 11.0553 11.0704 11.0704 k = 0.0339-0.0745-0.1375 ( 6229 PWs) bands (ev): -20.2942 -20.2942 -20.2884 -20.2884 -10.7295 -10.7295 -10.4590 -10.4590 -9.0136 -9.0136 -6.8062 -6.8062 -6.7040 -6.7040 -4.8800 -4.8800 -4.7589 -4.7589 -4.6979 -4.6979 -4.6833 -4.6833 1.7907 1.7907 2.5234 2.5234 2.9875 2.9875 3.0465 3.0465 3.2090 3.2090 3.3741 3.3741 3.6908 3.6908 3.9317 3.9317 4.0906 4.0906 4.4571 4.4571 4.8061 4.8061 5.0292 5.0292 5.8413 5.8413 5.9318 5.9318 8.6415 8.6415 9.6550 9.6550 10.6516 10.6516 11.0597 11.0597 11.0724 11.0724 k = 0.0406-0.0894-0.1649 ( 6227 PWs) bands (ev): -20.2929 -20.2929 -20.2872 -20.2872 -10.7344 -10.7344 -10.4644 -10.4644 -9.0120 -9.0120 -6.8115 -6.8115 -6.6995 -6.6995 -4.8891 -4.8891 -4.7633 -4.7633 -4.6977 -4.6977 -4.6754 -4.6754 1.7936 1.7936 2.5123 2.5123 2.9937 2.9937 3.0515 3.0515 3.2175 3.2175 3.3776 3.3776 3.6903 3.6903 3.9160 3.9160 4.0805 4.0805 4.4729 4.4729 4.8067 4.8067 5.0298 5.0298 5.8453 5.8453 5.9353 5.9353 8.6663 8.6663 9.6741 9.6741 10.6430 10.6430 11.0582 11.0582 11.0750 11.0750 k = 0.0474-0.1043-0.1924 ( 6221 PWs) bands (ev): -20.2915 -20.2915 -20.2858 -20.2858 -10.7401 -10.7401 -10.4708 -10.4708 -9.0101 -9.0101 -6.8170 -6.8170 -6.6950 -6.6950 -4.8984 -4.8984 -4.7685 -4.7685 -4.6981 -4.6981 -4.6668 -4.6668 1.7969 1.7969 2.5008 2.5008 2.9995 2.9995 3.0572 3.0572 3.2270 3.2270 3.3818 3.3818 3.6896 3.6896 3.8975 3.8975 4.0716 4.0716 4.4900 4.4900 4.8075 4.8075 5.0305 5.0305 5.8500 5.8500 5.9394 5.9394 8.6945 8.6945 9.6957 9.6957 10.6327 10.6327 11.0466 11.0466 11.0820 11.0820 k = 0.0542-0.1192-0.2199 ( 6235 PWs) bands (ev): -20.2898 -20.2898 -20.2842 -20.2842 -10.7467 -10.7467 -10.4781 -10.4781 -9.0078 -9.0078 -6.8226 -6.8226 -6.6906 -6.6906 -4.9080 -4.9080 -4.7742 -4.7742 -4.6991 -4.6991 -4.6577 -4.6577 1.8006 1.8006 2.4892 2.4892 3.0043 3.0043 3.0634 3.0634 3.2370 3.2370 3.3865 3.3865 3.6889 3.6889 3.8768 3.8768 4.0643 4.0643 4.5081 4.5081 4.8083 4.8083 5.0314 5.0314 5.8552 5.8552 5.9441 5.9441 8.7258 8.7258 9.7196 9.7196 10.6209 10.6209 11.0289 11.0289 11.0906 11.0906 k = 0.0610-0.1341-0.2474 ( 6241 PWs) bands (ev): -20.2879 -20.2879 -20.2824 -20.2824 -10.7540 -10.7540 -10.4862 -10.4862 -9.0053 -9.0053 -6.8281 -6.8281 -6.6865 -6.6865 -4.9175 -4.9175 -4.7805 -4.7805 -4.7007 -4.7007 -4.6484 -4.6484 1.8047 1.8047 2.4781 2.4781 3.0079 3.0079 3.0700 3.0700 3.2471 3.2471 3.3917 3.3917 3.6880 3.6880 3.8547 3.8547 4.0587 4.0587 4.5272 4.5272 4.8093 4.8093 5.0325 5.0325 5.8610 5.8610 5.9493 5.9493 8.7595 8.7595 9.7452 9.7452 10.6078 10.6078 11.0074 11.0074 11.0994 11.0994 k = 0.0677-0.1490-0.2749 ( 6243 PWs) bands (ev): -20.2859 -20.2859 -20.2805 -20.2805 -10.7620 -10.7620 -10.4951 -10.4951 -9.0024 -9.0024 -6.8335 -6.8335 -6.6826 -6.6826 -4.9269 -4.9269 -4.7871 -4.7871 -4.7030 -4.7030 -4.6390 -4.6390 1.8092 1.8092 2.4676 2.4676 3.0101 3.0101 3.0768 3.0768 3.2567 3.2567 3.3972 3.3972 3.6871 3.6871 3.8324 3.8324 4.0548 4.0548 4.5470 4.5470 4.8104 4.8104 5.0337 5.0337 5.8673 5.8673 5.9550 5.9550 8.7951 8.7951 9.7721 9.7721 10.5934 10.5934 10.9836 10.9836 11.1073 11.1073 k = 0.0745-0.1639-0.3024 ( 6245 PWs) bands (ev): -20.2837 -20.2837 -20.2784 -20.2784 -10.7708 -10.7708 -10.5047 -10.5047 -8.9992 -8.9992 -6.8387 -6.8387 -6.6792 -6.6792 -4.9360 -4.9360 -4.7941 -4.7941 -4.7061 -4.7061 -4.6296 -4.6296 1.8140 1.8140 2.4580 2.4580 3.0106 3.0106 3.0838 3.0838 3.2653 3.2653 3.4030 3.4030 3.6860 3.6860 3.8109 3.8109 4.0528 4.0528 4.5675 4.5675 4.8117 4.8117 5.0351 5.0351 5.8740 5.8740 5.9612 5.9612 8.8319 8.8319 9.8000 9.8000 10.5781 10.5781 10.9586 10.9586 11.1130 11.1130 k = 0.0813-0.1788-0.3299 ( 6255 PWs) bands (ev): -20.2813 -20.2813 -20.2761 -20.2761 -10.7802 -10.7802 -10.5151 -10.5151 -8.9957 -8.9957 -6.8437 -6.8437 -6.6762 -6.6762 -4.9448 -4.9448 -4.8014 -4.8014 -4.7098 -4.7098 -4.6203 -4.6203 1.8190 1.8190 2.4496 2.4496 3.0092 3.0092 3.0909 3.0909 3.2723 3.2723 3.4087 3.4087 3.6848 3.6848 3.7911 3.7911 4.0526 4.0526 4.5887 4.5887 4.8131 4.8131 5.0367 5.0367 5.8812 5.8812 5.9680 5.9680 8.8694 8.8694 9.8284 9.8284 10.5619 10.5619 10.9329 10.9329 11.1156 11.1156 k = 0.0880-0.1937-0.3574 ( 6257 PWs) bands (ev): -20.2787 -20.2787 -20.2736 -20.2736 -10.7901 -10.7901 -10.5261 -10.5261 -8.9918 -8.9918 -6.8486 -6.8486 -6.6735 -6.6735 -4.9532 -4.9532 -4.8089 -4.8089 -4.7143 -4.7143 -4.6111 -4.6111 1.8243 1.8243 2.4425 2.4425 3.0056 3.0056 3.0982 3.0982 3.2774 3.2774 3.4141 3.4141 3.6835 3.6835 3.7740 3.7740 4.0543 4.0543 4.6103 4.6103 4.8148 4.8148 5.0386 5.0386 5.8887 5.8887 5.9751 5.9751 8.9068 8.9068 9.8570 9.8570 10.5449 10.5449 10.9073 10.9073 11.1140 11.1140 k = 0.0948-0.2086-0.3849 ( 6257 PWs) bands (ev): -20.2761 -20.2761 -20.2711 -20.2711 -10.8006 -10.8006 -10.5377 -10.5377 -8.9877 -8.9877 -6.8532 -6.8532 -6.6714 -6.6714 -4.9612 -4.9612 -4.8167 -4.8167 -4.7194 -4.7194 -4.6022 -4.6022 1.8297 1.8297 2.4368 2.4368 2.9995 2.9995 3.1055 3.1055 3.2805 3.2805 3.4188 3.4188 3.6819 3.6819 3.7604 3.7604 4.0580 4.0580 4.6324 4.6324 4.8168 4.8168 5.0408 5.0408 5.8965 5.8965 5.9827 5.9827 8.9433 8.9433 9.8856 9.8856 10.5272 10.5272 10.8822 10.8822 11.1078 11.1078 k = 0.1016-0.2235-0.4124 ( 6261 PWs) bands (ev): -20.2733 -20.2733 -20.2684 -20.2684 -10.8116 -10.8116 -10.5498 -10.5498 -8.9833 -8.9833 -6.8577 -6.8577 -6.6696 -6.6696 -4.9687 -4.9687 -4.8247 -4.8247 -4.7251 -4.7251 -4.5934 -4.5934 1.8353 1.8353 2.4325 2.4325 2.9907 2.9907 3.1128 3.1128 3.2817 3.2817 3.4225 3.4225 3.6801 3.6801 3.7509 3.7509 4.0639 4.0639 4.6548 4.6548 4.8191 4.8191 5.0432 5.0432 5.9046 5.9046 5.9906 5.9906 8.9783 8.9783 9.9139 9.9139 10.5086 10.5086 10.8583 10.8583 11.0970 11.0970 k = 0.1084-0.2384-0.4399 ( 6261 PWs) bands (ev): -20.2703 -20.2703 -20.2656 -20.2656 -10.8230 -10.8230 -10.5624 -10.5624 -8.9786 -8.9786 -6.8619 -6.8619 -6.6682 -6.6682 -4.9758 -4.9758 -4.8330 -4.8330 -4.7313 -4.7313 -4.5848 -4.5848 1.8411 1.8411 2.4298 2.4298 2.9790 2.9790 3.1202 3.1202 3.2811 3.2811 3.4248 3.4248 3.6779 3.6779 3.7457 3.7457 4.0719 4.0719 4.6772 4.6772 4.8221 4.8221 5.0461 5.0461 5.9129 5.9129 5.9989 5.9989 9.0112 9.0112 9.9417 9.9417 10.4890 10.4890 10.8360 10.8360 11.0820 11.0820 k = 0.1151-0.2533-0.4674 ( 6265 PWs) bands (ev): -20.2673 -20.2673 -20.2627 -20.2627 -10.8348 -10.8348 -10.5753 -10.5753 -8.9736 -8.9736 -6.8661 -6.8661 -6.6671 -6.6671 -4.9824 -4.9824 -4.8415 -4.8415 -4.7381 -4.7381 -4.5765 -4.5765 1.8469 1.8469 2.4286 2.4286 2.9646 2.9646 3.1275 3.1275 3.2791 3.2791 3.4254 3.4254 3.6753 3.6753 3.7450 3.7450 4.0821 4.0821 4.6992 4.6992 4.8258 4.8258 5.0493 5.0493 5.9213 5.9213 6.0076 6.0076 9.0412 9.0412 9.9688 9.9688 10.4683 10.4683 10.8158 10.8158 11.0639 11.0639 k = 0.1219-0.2682-0.4948 ( 6263 PWs) bands (ev): -20.2642 -20.2642 -20.2598 -20.2598 -10.8469 -10.8469 -10.5886 -10.5886 -8.9684 -8.9684 -6.8702 -6.8702 -6.6664 -6.6664 -4.9886 -4.9886 -4.8503 -4.8503 -4.7451 -4.7451 -4.5683 -4.5683 1.8528 1.8528 2.4289 2.4289 2.9475 2.9475 3.1348 3.1348 3.2761 3.2761 3.4241 3.4241 3.6725 3.6725 3.7483 3.7483 4.0943 4.0943 4.7205 4.7205 4.8308 4.8308 5.0531 5.0531 5.9298 5.9298 6.0165 6.0165 9.0678 9.0678 9.9950 9.9950 10.4461 10.4461 10.7982 10.7982 11.0435 11.0435 k = 0.1287-0.2831-0.5223 ( 6265 PWs) bands (ev): -20.2611 -20.2611 -20.2567 -20.2567 -10.8593 -10.8593 -10.6021 -10.6021 -8.9630 -8.9630 -6.8742 -6.8742 -6.6658 -6.6658 -4.9944 -4.9944 -4.8594 -4.8594 -4.7524 -4.7524 -4.5604 -4.5604 1.8587 1.8587 2.4306 2.4306 2.9280 2.9280 3.1421 3.1421 3.2724 3.2724 3.4209 3.4209 3.6697 3.6697 3.7551 3.7551 4.1085 4.1085 4.7402 4.7402 4.8375 4.8375 5.0574 5.0574 5.9384 5.9384 6.0257 6.0257 9.0906 9.0906 10.0202 10.0202 10.4224 10.4224 10.7837 10.7837 11.0216 11.0216 k = 0.1355-0.2980-0.5498 ( 6269 PWs) bands (ev): -20.2578 -20.2578 -20.2537 -20.2537 -10.8718 -10.8718 -10.6157 -10.6157 -8.9574 -8.9574 -6.8783 -6.8783 -6.6655 -6.6655 -5.0000 -5.0000 -4.8688 -4.8688 -4.7598 -4.7598 -4.5527 -4.5527 1.8646 1.8646 2.4336 2.4336 2.9068 2.9068 3.1491 3.1491 3.2682 3.2682 3.4157 3.4157 3.6669 3.6669 3.7651 3.7651 4.1244 4.1244 4.7573 4.7573 4.8469 4.8469 5.0625 5.0625 5.9469 5.9469 6.0352 6.0352 9.1093 9.1093 10.0442 10.0442 10.3968 10.3968 10.7726 10.7726 10.9987 10.9987 k = 0.1422-0.3129-0.5773 ( 6269 PWs) bands (ev): -20.2546 -20.2546 -20.2506 -20.2506 -10.8844 -10.8844 -10.6295 -10.6295 -8.9517 -8.9517 -6.8825 -6.8825 -6.6652 -6.6652 -5.0052 -5.0052 -4.8785 -4.8785 -4.7671 -4.7671 -4.5451 -4.5451 1.8705 1.8705 2.4377 2.4377 2.8843 2.8843 3.1559 3.1559 3.2636 3.2636 3.4086 3.4086 3.6643 3.6643 3.7776 3.7776 4.1418 4.1418 4.7712 4.7712 4.8594 4.8594 5.0685 5.0685 5.9555 5.9555 6.0448 6.0448 9.1237 9.1237 10.0666 10.0666 10.3692 10.3692 10.7653 10.7653 10.9751 10.9751 k = 0.1490-0.3278-0.6048 ( 6275 PWs) bands (ev): -20.2513 -20.2513 -20.2474 -20.2474 -10.8971 -10.8971 -10.6433 -10.6433 -8.9458 -8.9458 -6.8868 -6.8868 -6.6649 -6.6649 -5.0103 -5.0103 -4.8887 -4.8887 -4.7741 -4.7741 -4.5378 -4.5378 1.8764 1.8764 2.4429 2.4429 2.8613 2.8613 3.1623 3.1623 3.2588 3.2588 3.3999 3.3999 3.6620 3.6620 3.7922 3.7922 4.1603 4.1603 4.7816 4.7816 4.8749 4.8749 5.0755 5.0755 5.9640 5.9640 6.0546 6.0546 9.1339 9.1339 10.0873 10.0873 10.3396 10.3396 10.7620 10.7620 10.9510 10.9510 k = 0.1558-0.3427-0.6323 ( 6275 PWs) bands (ev): -20.2480 -20.2480 -20.2443 -20.2443 -10.9097 -10.9097 -10.6570 -10.6570 -8.9399 -8.9399 -6.8913 -6.8913 -6.6645 -6.6645 -5.0153 -5.0153 -4.8992 -4.8992 -4.7807 -4.7807 -4.5306 -4.5306 1.8823 1.8823 2.4487 2.4487 2.8383 2.8383 3.1681 3.1681 3.2539 3.2539 3.3895 3.3895 3.6601 3.6601 3.8085 3.8085 4.1796 4.1796 4.7892 4.7892 4.8925 4.8925 5.0838 5.0838 5.9725 5.9725 6.0644 6.0644 9.1401 9.1401 10.1061 10.1061 10.3077 10.3077 10.7627 10.7627 10.9269 10.9269 k = 0.1625-0.3576-0.6598 ( 6263 PWs) bands (ev): -20.2447 -20.2447 -20.2412 -20.2412 -10.9223 -10.9223 -10.6706 -10.6706 -8.9339 -8.9339 -6.8961 -6.8961 -6.6640 -6.6640 -5.0203 -5.0203 -4.9102 -4.9102 -4.7867 -4.7867 -4.5235 -4.5235 1.8881 1.8881 2.4549 2.4549 2.8162 2.8162 3.1731 3.1731 3.2490 3.2490 3.3779 3.3779 3.6587 3.6587 3.8262 3.8262 4.1994 4.1994 4.7947 4.7947 4.9109 4.9109 5.0937 5.0937 5.9809 5.9809 6.0743 6.0743 9.1424 9.1424 10.1226 10.1226 10.2738 10.2738 10.7671 10.7671 10.9031 10.9031 k = 0.1693-0.3725-0.6873 ( 6273 PWs) bands (ev): -20.2415 -20.2415 -20.2381 -20.2381 -10.9348 -10.9348 -10.6840 -10.6840 -8.9279 -8.9279 -6.9012 -6.9012 -6.6632 -6.6632 -5.0254 -5.0254 -4.9215 -4.9215 -4.7920 -4.7920 -4.5166 -4.5166 1.8939 1.8939 2.4612 2.4612 2.7954 2.7954 3.1765 3.1765 3.2445 3.2445 3.3652 3.3652 3.6579 3.6579 3.8449 3.8449 4.2193 4.2193 4.7989 4.7989 4.9291 4.9291 5.1054 5.1054 5.9892 5.9892 6.0842 6.0842 9.1414 9.1414 10.1368 10.1368 10.2380 10.2380 10.7749 10.7749 10.8800 10.8800 k = 0.1761-0.3874-0.7148 ( 6287 PWs) bands (ev): -20.2383 -20.2383 -20.2350 -20.2350 -10.9470 -10.9470 -10.6971 -10.6971 -8.9220 -8.9220 -6.9066 -6.9066 -6.6621 -6.6621 -5.0308 -5.0308 -4.9331 -4.9331 -4.7965 -4.7965 -4.5098 -4.5098 1.8996 1.8996 2.4670 2.4670 2.7769 2.7769 3.1779 3.1779 3.2408 3.2408 3.3517 3.3517 3.6577 3.6577 3.8643 3.8643 4.2390 4.2390 4.8023 4.8023 4.9462 4.9462 5.1192 5.1192 5.9974 5.9974 6.0940 6.0940 9.1376 9.1376 10.1481 10.1481 10.2008 10.2008 10.7855 10.7855 10.8583 10.8583 k = 0.1829-0.4024-0.7423 ( 6285 PWs) bands (ev): -20.2351 -20.2351 -20.2320 -20.2320 -10.9590 -10.9590 -10.7100 -10.7100 -8.9161 -8.9161 -6.9123 -6.9123 -6.6607 -6.6607 -5.0365 -5.0365 -4.9449 -4.9449 -4.8001 -4.8001 -4.5032 -4.5032 1.9053 1.9053 2.4720 2.4720 2.7610 2.7610 3.1765 3.1765 3.2387 3.2387 3.3378 3.3378 3.6582 3.6582 3.8841 3.8841 4.2582 4.2582 4.8052 4.8052 4.9618 4.9618 5.1351 5.1351 6.0056 6.0056 6.1037 6.1037 9.1313 9.1313 10.1497 10.1497 10.1692 10.1692 10.7978 10.7978 10.8386 10.8386 k = 0.1896-0.4173-0.7698 ( 6287 PWs) bands (ev): -20.2320 -20.2320 -20.2291 -20.2291 -10.9707 -10.9707 -10.7225 -10.7225 -8.9103 -8.9103 -6.9184 -6.9184 -6.6590 -6.6590 -5.0426 -5.0426 -4.9566 -4.9566 -4.8028 -4.8028 -4.4966 -4.4966 1.9109 1.9109 2.4756 2.4756 2.7485 2.7485 3.1717 3.1717 3.2383 3.2383 3.3237 3.3237 3.6594 3.6594 3.9043 3.9043 4.2765 4.2765 4.8077 4.8077 4.9755 4.9755 5.1530 5.1530 6.0138 6.0138 6.1132 6.1132 9.1233 9.1233 10.1156 10.1156 10.1697 10.1697 10.8085 10.8085 10.8241 10.8242 k = 0.1964-0.4322-0.7973 ( 6293 PWs) bands (ev): -20.2290 -20.2290 -20.2263 -20.2263 -10.9820 -10.9820 -10.7345 -10.7345 -8.9047 -8.9047 -6.9248 -6.9248 -6.6568 -6.6568 -5.0494 -5.0494 -4.9682 -4.9682 -4.8046 -4.8046 -4.4901 -4.4901 1.9166 1.9166 2.4775 2.4775 2.7396 2.7396 3.1639 3.1639 3.2392 3.2392 3.3101 3.3101 3.6614 3.6614 3.9244 3.9244 4.2938 4.2938 4.8099 4.8099 4.9875 4.9875 5.1727 5.1727 6.0218 6.0218 6.1224 6.1224 9.1140 9.1140 10.0735 10.0735 10.1747 10.1747 10.8012 10.8012 10.8309 10.8309 k = 0.2032-0.4471-0.8247 ( 6297 PWs) bands (ev): -20.2261 -20.2261 -20.2235 -20.2235 -10.9930 -10.9930 -10.7461 -10.7461 -8.8993 -8.8993 -6.9314 -6.9314 -6.6543 -6.6543 -5.0569 -5.0569 -4.9795 -4.9795 -4.8056 -4.8056 -4.4837 -4.4837 1.9221 1.9221 2.4776 2.4776 2.7346 2.7346 3.1533 3.1533 3.2406 3.2406 3.2976 3.2976 3.6641 3.6641 3.9444 3.9444 4.3097 4.3097 4.8121 4.8121 4.9978 4.9978 5.1937 5.1937 6.0299 6.0299 6.1312 6.1312 9.1039 9.1039 10.0298 10.0298 10.1783 10.1783 10.7890 10.7890 10.8453 10.8453 k = 0.2099-0.4620-0.8522 ( 6281 PWs) bands (ev): -20.2232 -20.2232 -20.2209 -20.2209 -11.0034 -11.0034 -10.7571 -10.7571 -8.8942 -8.8942 -6.9384 -6.9384 -6.6513 -6.6513 -5.0652 -5.0652 -4.9901 -4.9901 -4.8058 -4.8058 -4.4774 -4.4774 1.9277 1.9277 2.4759 2.4759 2.7330 2.7330 3.1406 3.1406 3.2414 3.2414 3.2872 3.2872 3.6674 3.6674 3.9641 3.9641 4.3241 4.3241 4.8143 4.8143 5.0067 5.0067 5.2157 5.2157 6.0379 6.0379 6.1396 6.1396 9.0936 9.0936 9.9851 9.9851 10.1802 10.1802 10.7790 10.7790 10.8602 10.8602 k = 0.2167-0.4769-0.8797 ( 6283 PWs) bands (ev): -20.2206 -20.2206 -20.2183 -20.2183 -11.0134 -11.0134 -10.7676 -10.7676 -8.8892 -8.8892 -6.9455 -6.9455 -6.6480 -6.6480 -5.0743 -5.0743 -5.0001 -5.0001 -4.8053 -4.8053 -4.4712 -4.4712 1.9333 1.9333 2.4727 2.4727 2.7345 2.7345 3.1261 3.1261 3.2401 3.2401 3.2802 3.2802 3.6714 3.6714 3.9832 3.9832 4.3367 4.3367 4.8164 4.8164 5.0144 5.0144 5.2380 5.2380 6.0460 6.0460 6.1476 6.1476 9.0834 9.0834 9.9397 9.9397 10.1804 10.1804 10.7717 10.7717 10.8747 10.8747 k = 0.2235-0.4918-0.9072 ( 6283 PWs) bands (ev): -20.2180 -20.2180 -20.2159 -20.2159 -11.0229 -11.0229 -10.7776 -10.7776 -8.8846 -8.8846 -6.9528 -6.9528 -6.6445 -6.6445 -5.0841 -5.0841 -5.0092 -5.0092 -4.8041 -4.8041 -4.4651 -4.4651 1.9389 1.9389 2.4685 2.4685 2.7384 2.7384 3.1100 3.1100 3.2363 3.2363 3.2774 3.2774 3.6760 3.6760 4.0018 4.0018 4.3475 4.3475 4.8186 4.8186 5.0212 5.0212 5.2603 5.2603 6.0540 6.0540 6.1549 6.1549 9.0737 9.0737 9.8939 9.8939 10.1791 10.1791 10.7672 10.7672 10.8890 10.8890 k = 0.2303-0.5067-0.9347 ( 6285 PWs) bands (ev): -20.2155 -20.2155 -20.2136 -20.2136 -11.0319 -11.0319 -10.7868 -10.7868 -8.8803 -8.8803 -6.9601 -6.9601 -6.6406 -6.6406 -5.0946 -5.0946 -5.0175 -5.0175 -4.8023 -4.8023 -4.4591 -4.4591 1.9445 1.9445 2.4637 2.4637 2.7437 2.7437 3.0926 3.0926 3.2310 3.2310 3.2778 3.2778 3.6811 3.6811 4.0196 4.0196 4.3561 4.3561 4.8207 4.8207 5.0273 5.0273 5.2823 5.2823 6.0620 6.0620 6.1617 6.1617 9.0649 9.0649 9.8480 9.8480 10.1766 10.1766 10.7655 10.7655 10.9031 10.9031 k = 0.2370-0.5216-0.9622 ( 6279 PWs) bands (ev): -20.2132 -20.2132 -20.2115 -20.2115 -11.0402 -11.0402 -10.7955 -10.7955 -8.8763 -8.8763 -6.9675 -6.9675 -6.6365 -6.6365 -5.1056 -5.1056 -5.0251 -5.0251 -4.8002 -4.8002 -4.4531 -4.4531 1.9502 1.9502 2.4590 2.4590 2.7498 2.7498 3.0740 3.0740 3.2259 3.2259 3.2798 3.2798 3.6866 3.6866 4.0366 4.0366 4.3627 4.3627 4.8230 4.8230 5.0327 5.0327 5.3037 5.3037 6.0700 6.0700 6.1679 6.1679 9.0572 9.0572 9.8022 9.8022 10.1731 10.1731 10.7667 10.7667 10.9174 10.9174 k = 0.2438-0.5365-0.9897 ( 6285 PWs) bands (ev): -20.2111 -20.2111 -20.2095 -20.2095 -11.0480 -11.0480 -10.8035 -10.8035 -8.8727 -8.8727 -6.9747 -6.9747 -6.6322 -6.6322 -5.1168 -5.1168 -5.0319 -5.0319 -4.7976 -4.7976 -4.4473 -4.4473 1.9559 1.9559 2.4546 2.4546 2.7560 2.7560 3.0546 3.0546 3.2223 3.2223 3.2827 3.2827 3.6926 3.6926 4.0526 4.0526 4.3670 4.3670 4.8252 4.8252 5.0375 5.0375 5.3241 5.3241 6.0780 6.0780 6.1733 6.1733 9.0509 9.0509 9.7567 9.7567 10.1692 10.1692 10.7706 10.7706 10.9324 10.9324 k = 0.2506-0.5514-1.0172 ( 6285 PWs) bands (ev): -20.2091 -20.2091 -20.2077 -20.2077 -11.0552 -11.0552 -10.8108 -10.8108 -8.8693 -8.8693 -6.9818 -6.9818 -6.6279 -6.6279 -5.1280 -5.1280 -5.0381 -5.0381 -4.7949 -4.7949 -4.4417 -4.4417 1.9617 1.9617 2.4507 2.4507 2.7618 2.7618 3.0344 3.0344 3.2207 3.2207 3.2858 3.2858 3.6988 3.6988 4.0676 4.0676 4.3690 4.3690 4.8275 4.8275 5.0419 5.0419 5.3435 5.3435 6.0860 6.0860 6.1781 6.1781 9.0463 9.0463 9.7117 9.7117 10.1653 10.1653 10.7772 10.7772 10.9482 10.9482 k = 0.2574-0.5663-1.0447 ( 6289 PWs) bands (ev): -20.2073 -20.2073 -20.2060 -20.2060 -11.0617 -11.0617 -10.8175 -10.8175 -8.8664 -8.8664 -6.9887 -6.9887 -6.6235 -6.6235 -5.1390 -5.1390 -5.0438 -5.0438 -4.7920 -4.7920 -4.4361 -4.4361 1.9674 1.9674 2.4476 2.4476 2.7666 2.7666 3.0137 3.0137 3.2216 3.2216 3.2888 3.2888 3.7053 3.7053 4.0815 4.0815 4.3688 4.3688 4.8298 4.8298 5.0459 5.0459 5.3616 5.3616 6.0939 6.0939 6.1821 6.1821 9.0435 9.0435 9.6672 9.6672 10.1621 10.1621 10.7862 10.7862 10.9651 10.9651 k = 0.2641-0.5812-1.0722 ( 6297 PWs) bands (ev): -20.2056 -20.2056 -20.2044 -20.2044 -11.0676 -11.0676 -10.8235 -10.8235 -8.8638 -8.8638 -6.9953 -6.9953 -6.6191 -6.6191 -5.1496 -5.1496 -5.0489 -5.0489 -4.7890 -4.7890 -4.4308 -4.4308 1.9732 1.9732 2.4453 2.4453 2.7704 2.7704 2.9926 2.9926 3.2251 3.2251 3.2917 3.2917 3.7120 3.7120 4.0943 4.0943 4.3664 4.3664 4.8320 4.8320 5.0494 5.0494 5.3783 5.3783 6.1018 6.1018 6.1855 6.1855 9.0427 9.0427 9.6235 9.6235 10.1600 10.1600 10.7976 10.7976 10.9830 10.9830 k = 0.2709-0.5961-1.0997 ( 6287 PWs) bands (ev): -20.2041 -20.2041 -20.2031 -20.2031 -11.0729 -11.0729 -10.8288 -10.8288 -8.8615 -8.8615 -7.0015 -7.0015 -6.6149 -6.6149 -5.1597 -5.1597 -5.0536 -5.0536 -4.7860 -4.7860 -4.4257 -4.4257 1.9789 1.9789 2.4439 2.4439 2.7730 2.7730 2.9714 2.9714 3.2311 3.2311 3.2944 3.2944 3.7188 3.7188 4.1060 4.1060 4.3619 4.3619 4.8343 4.8343 5.0527 5.0527 5.3935 5.3935 6.1095 6.1095 6.1881 6.1881 9.0441 9.0441 9.5805 9.5805 10.1596 10.1596 10.8112 10.8112 11.0016 11.0016 k = 0.2777-0.6110-1.1272 ( 6301 PWs) bands (ev): -20.2027 -20.2027 -20.2019 -20.2019 -11.0776 -11.0776 -10.8335 -10.8335 -8.8596 -8.8596 -7.0073 -7.0073 -6.6108 -6.6108 -5.1692 -5.1692 -5.0578 -5.0578 -4.7831 -4.7831 -4.4208 -4.4208 1.9845 1.9845 2.4432 2.4432 2.7746 2.7746 2.9502 2.9502 3.2394 3.2394 3.2968 3.2968 3.7255 3.7255 4.1166 4.1166 4.3554 4.3554 4.8365 4.8365 5.0555 5.0555 5.4072 5.4072 6.1169 6.1169 6.1901 6.1901 9.0479 9.0479 9.5384 9.5384 10.1612 10.1612 10.8268 10.8268 11.0203 11.0203 k = 0.2844-0.6259-1.1546 ( 6309 PWs) bands (ev): -20.2016 -20.2016 -20.2008 -20.2008 -11.0817 -11.0817 -10.8375 -10.8375 -8.8580 -8.8580 -7.0127 -7.0127 -6.6069 -6.6069 -5.1778 -5.1778 -5.0615 -5.0615 -4.7805 -4.7805 -4.4163 -4.4163 1.9899 1.9899 2.4431 2.4431 2.7753 2.7753 2.9293 2.9293 3.2497 3.2497 3.2988 3.2988 3.7323 3.7323 4.1259 4.1259 4.3470 4.3470 4.8385 4.8385 5.0580 5.0580 5.4192 5.4192 6.1241 6.1241 6.1915 6.1915 9.0542 9.0542 9.4971 9.4971 10.1652 10.1653 10.8443 10.8443 11.0384 11.0384 k = 0.2912-0.6408-1.1821 ( 6303 PWs) bands (ev): -20.2005 -20.2005 -20.1999 -20.1999 -11.0852 -11.0852 -10.8409 -10.8409 -8.8567 -8.8567 -7.0174 -7.0174 -6.6034 -6.6034 -5.1855 -5.1855 -5.0648 -5.0648 -4.7780 -4.7780 -4.4121 -4.4121 1.9951 1.9951 2.4436 2.4436 2.7756 2.7756 2.9089 2.9089 3.2618 3.2618 3.3006 3.3006 3.7388 3.7388 4.1342 4.1342 4.3370 4.3370 4.8405 4.8405 5.0602 5.0602 5.4295 5.4295 6.1310 6.1310 6.1924 6.1924 9.0632 9.0632 9.4567 9.4567 10.1718 10.1718 10.8635 10.8635 11.0544 11.0544 k = 0.2980-0.6557-1.2096 ( 6299 PWs) bands (ev): -20.1997 -20.1997 -20.1992 -20.1992 -11.0881 -11.0881 -10.8437 -10.8437 -8.8557 -8.8557 -7.0216 -7.0216 -6.6002 -6.6002 -5.1922 -5.1922 -5.0677 -5.0677 -4.7758 -4.7758 -4.4084 -4.4084 1.9999 1.9999 2.4443 2.4443 2.7757 2.7757 2.8891 2.8891 3.2750 3.2750 3.3023 3.3023 3.7451 3.7451 4.1414 4.1414 4.3255 4.3255 4.8422 4.8422 5.0620 5.0620 5.4382 5.4382 6.1373 6.1373 6.1930 6.1930 9.0752 9.0752 9.4173 9.4173 10.1810 10.1810 10.8839 10.8839 11.0662 11.0662 k = 0.3048-0.6706-1.2371 ( 6291 PWs) bands (ev): -20.1990 -20.1990 -20.1986 -20.1986 -11.0904 -11.0904 -10.8459 -10.8459 -8.8549 -8.8549 -7.0251 -7.0251 -6.5974 -6.5974 -5.1979 -5.1979 -5.0701 -5.0701 -4.7740 -4.7740 -4.4051 -4.4051 2.0044 2.0044 2.4449 2.4449 2.7759 2.7759 2.8705 2.8705 3.2881 3.2881 3.3046 3.3046 3.7511 3.7511 4.1476 4.1476 4.3129 4.3129 4.8438 4.8438 5.0635 5.0635 5.4453 5.4453 6.1430 6.1430 6.1933 6.1933 9.0901 9.0901 9.3787 9.3787 10.1927 10.1927 10.9049 10.9049 11.0682 11.0682 k = 0.3115-0.6855-1.2646 ( 6287 PWs) bands (ev): -20.1984 -20.1984 -20.1981 -20.1981 -11.0921 -11.0921 -10.8476 -10.8476 -8.8543 -8.8543 -7.0280 -7.0280 -6.5951 -6.5951 -5.2024 -5.2024 -5.0720 -5.0720 -4.7725 -4.7725 -4.4023 -4.4023 2.0083 2.0083 2.4452 2.4452 2.7764 2.7764 2.8534 2.8534 3.2973 3.2973 3.3111 3.3111 3.7566 3.7566 4.1528 4.1528 4.2995 4.2995 4.8451 4.8451 5.0647 5.0647 5.4508 5.4508 6.1479 6.1479 6.1936 6.1936 9.1083 9.1083 9.3409 9.3409 10.2066 10.2066 10.9249 10.9249 11.0500 11.0500 k = 0.3183-0.7004-1.2921 ( 6289 PWs) bands (ev): -20.1980 -20.1980 -20.1978 -20.1978 -11.0934 -11.0934 -10.8487 -10.8487 -8.8539 -8.8539 -7.0301 -7.0301 -6.5934 -6.5934 -5.2057 -5.2057 -5.0735 -5.0735 -4.7715 -4.7715 -4.4002 -4.4002 2.0117 2.0117 2.4449 2.4449 2.7770 2.7770 2.8387 2.8387 3.2998 3.2998 3.3240 3.3240 3.7615 3.7615 4.1570 4.1570 4.2857 4.2857 4.8461 4.8461 5.0656 5.0656 5.4548 5.4548 6.1517 6.1517 6.1941 6.1941 9.1297 9.1297 9.3040 9.3040 10.2224 10.2224 10.9387 10.9387 11.0263 11.0263 k = 0.3251-0.7153-1.3196 ( 6291 PWs) bands (ev): -20.1978 -20.1978 -20.1977 -20.1977 -11.0942 -11.0942 -10.8494 -10.8494 -8.8537 -8.8537 -7.0315 -7.0315 -6.5923 -6.5923 -5.2078 -5.2078 -5.0745 -5.0745 -4.7708 -4.7708 -4.3987 -4.3987 2.0144 2.0144 2.4437 2.4437 2.7764 2.7764 2.8281 2.8281 3.3002 3.3002 3.3386 3.3386 3.7656 3.7656 4.1601 4.1601 4.2719 4.2719 4.8467 4.8467 5.0662 5.0662 5.4574 5.4574 6.1542 6.1542 6.1950 6.1950 9.1543 9.1543 9.2681 9.2681 10.2396 10.2396 10.9342 10.9342 11.0215 11.0215 k = 0.3319-0.7302-1.3471 ( 6297 PWs) bands (ev): -20.1976 -20.1976 -20.1976 -20.1976 -11.0945 -11.0945 -10.8497 -10.8497 -8.8537 -8.8537 -7.0320 -7.0320 -6.5918 -6.5918 -5.2086 -5.2086 -5.0749 -5.0749 -4.7706 -4.7706 -4.3981 -4.3981 2.0163 2.0163 2.4413 2.4413 2.7729 2.7729 2.8239 2.8239 3.2998 3.2998 3.3532 3.3532 3.7689 3.7689 4.1622 4.1622 4.2589 4.2589 4.8470 4.8470 5.0665 5.0665 5.4587 5.4587 6.1554 6.1554 6.1965 6.1965 9.1818 9.1818 9.2335 9.2335 10.2578 10.2578 10.9118 10.9118 11.0374 11.0374 k = 0.3386-0.7451-1.3746 ( 6299 PWs) bands (ev): -20.1977 -20.1977 -20.1976 -20.1976 -11.0944 -11.0944 -10.8496 -10.8496 -8.8537 -8.8537 -7.0318 -7.0318 -6.5920 -6.5920 -5.2082 -5.2082 -5.0748 -5.0748 -4.7709 -4.7709 -4.3982 -4.3982 2.0175 2.0175 2.4376 2.4376 2.7660 2.7660 2.8267 2.8267 3.2989 3.2989 3.3673 3.3673 3.7710 3.7710 4.1630 4.1630 4.2473 4.2473 4.8469 4.8469 5.0666 5.0666 5.4589 5.4589 6.1553 6.1553 6.1985 6.1985 9.1935 9.1935 9.2187 9.2187 10.2763 10.2763 10.8844 10.8844 11.0259 11.0259 k = 0.6614-0.6368-1.3101 ( 6299 PWs) bands (ev): -20.1977 -20.1977 -20.1976 -20.1976 -11.0944 -11.0944 -10.8496 -10.8496 -8.8537 -8.8537 -7.0318 -7.0318 -6.5920 -6.5920 -5.2082 -5.2082 -5.0748 -5.0748 -4.7709 -4.7709 -4.3982 -4.3982 2.0175 2.0175 2.4376 2.4376 2.7660 2.7660 2.8267 2.8267 3.2989 3.2989 3.3673 3.3673 3.7710 3.7710 4.1630 4.1630 4.2473 4.2473 4.8469 4.8469 5.0666 5.0666 5.4589 5.4589 6.1553 6.1553 6.1985 6.1985 9.1935 9.1935 9.2187 9.2187 10.2763 10.2763 10.8844 10.8844 11.0259 11.0259 k = 0.6546-0.6058-1.3101 ( 6291 PWs) bands (ev): -20.1979 -20.1979 -20.1977 -20.1977 -11.0940 -11.0940 -10.8491 -10.8491 -8.8538 -8.8538 -7.0307 -7.0307 -6.5929 -6.5929 -5.2065 -5.2065 -5.0742 -5.0742 -4.7716 -4.7716 -4.3992 -4.3992 2.0178 2.0178 2.4325 2.4325 2.7574 2.7574 2.8351 2.8351 3.2976 3.2976 3.3804 3.3804 3.7719 3.7719 4.1623 4.1623 4.2379 4.2379 4.8464 4.8464 5.0665 5.0665 5.4581 5.4581 6.1540 6.1540 6.2008 6.2008 9.1624 9.1624 9.2507 9.2507 10.2944 10.2944 10.8577 10.8577 10.9940 10.9940 k = 0.6479-0.5747-1.3101 ( 6289 PWs) bands (ev): -20.1982 -20.1982 -20.1979 -20.1979 -11.0931 -11.0931 -10.8483 -10.8483 -8.8540 -8.8540 -7.0288 -7.0288 -6.5945 -6.5945 -5.2036 -5.2036 -5.0730 -5.0730 -4.7727 -4.7727 -4.4011 -4.4011 2.0173 2.0173 2.4260 2.4260 2.7487 2.7487 2.8474 2.8474 3.2960 3.2960 3.3924 3.3924 3.7714 3.7714 4.1600 4.1600 4.2314 4.2314 4.8454 4.8454 5.0662 5.0662 5.4564 5.4564 6.1518 6.1518 6.2033 6.2033 9.1297 9.1297 9.2882 9.2882 10.3117 10.3117 10.8333 10.8333 10.9580 10.9580 k = 0.6412-0.5437-1.3101 ( 6297 PWs) bands (ev): -20.1985 -20.1985 -20.1982 -20.1982 -11.0920 -11.0920 -10.8473 -10.8473 -8.8541 -8.8541 -7.0261 -7.0261 -6.5969 -6.5969 -5.1995 -5.1995 -5.0713 -5.0713 -4.7743 -4.7743 -4.4041 -4.4041 2.0160 2.0160 2.4182 2.4182 2.7409 2.7409 2.8626 2.8626 3.2942 3.2942 3.4030 3.4030 3.7693 3.7693 4.1562 4.1562 4.2280 4.2280 4.8439 4.8439 5.0657 5.0657 5.4540 5.4540 6.1488 6.1488 6.2057 6.2057 9.0974 9.0974 9.3287 9.3287 10.3273 10.3273 10.8116 10.8116 10.9192 10.9192 k = 0.6345-0.5126-1.3101 ( 6291 PWs) bands (ev): -20.1990 -20.1990 -20.1986 -20.1986 -11.0906 -11.0906 -10.8460 -10.8460 -8.8543 -8.8543 -7.0225 -7.0225 -6.6001 -6.6001 -5.1942 -5.1942 -5.0690 -5.0690 -4.7762 -4.7762 -4.4081 -4.4081 2.0139 2.0139 2.4092 2.4092 2.7343 2.7343 2.8801 2.8801 3.2921 3.2921 3.4121 3.4121 3.7655 3.7655 4.1517 4.1517 4.2276 4.2276 4.8419 4.8419 5.0652 5.0652 5.4510 5.4510 6.1453 6.1453 6.2081 6.2081 9.0658 9.0658 9.3718 9.3718 10.3408 10.3408 10.7927 10.7927 10.8790 10.8790 k = 0.6278-0.4816-1.3101 ( 6295 PWs) bands (ev): -20.1995 -20.1995 -20.1991 -20.1991 -11.0890 -11.0890 -10.8445 -10.8445 -8.8545 -8.8545 -7.0180 -7.0180 -6.6041 -6.6041 -5.1878 -5.1878 -5.0661 -5.0661 -4.7785 -4.7785 -4.4132 -4.4132 2.0110 2.0110 2.3992 2.3992 2.7292 2.7292 2.8994 2.8994 3.2899 3.2899 3.4196 3.4196 3.7599 3.7599 4.1473 4.1473 4.2295 4.2295 4.8394 4.8394 5.0646 5.0646 5.4475 5.4475 6.1413 6.1413 6.2101 6.2101 9.0349 9.0349 9.4170 9.4170 10.3516 10.3516 10.7765 10.7765 10.8390 10.8390 k = 0.6210-0.4505-1.3101 ( 6299 PWs) bands (ev): -20.2001 -20.2001 -20.1996 -20.1996 -11.0872 -11.0872 -10.8429 -10.8429 -8.8547 -8.8547 -7.0127 -7.0127 -6.6088 -6.6088 -5.1804 -5.1804 -5.0625 -5.0625 -4.7812 -4.7812 -4.4194 -4.4194 2.0073 2.0073 2.3885 2.3885 2.7256 2.7256 2.9200 2.9200 3.2875 3.2875 3.4253 3.4253 3.7527 3.7527 4.1436 4.1436 4.2334 4.2334 4.8363 4.8363 5.0639 5.0639 5.4438 5.4438 6.1369 6.1369 6.2119 6.2119 9.0047 9.0047 9.4635 9.4635 10.3593 10.3593 10.7616 10.7616 10.8016 10.8016 k = 0.6143-0.4195-1.3101 ( 6291 PWs) bands (ev): -20.2007 -20.2007 -20.2002 -20.2002 -11.0853 -11.0853 -10.8412 -10.8412 -8.8548 -8.8548 -7.0066 -7.0066 -6.6143 -6.6143 -5.1722 -5.1722 -5.0583 -5.0583 -4.7841 -4.7841 -4.4268 -4.4268 2.0031 2.0031 2.3771 2.3771 2.7236 2.7236 2.9417 2.9417 3.2849 3.2849 3.4292 3.4292 3.7440 3.7440 4.1412 4.1412 4.2390 4.2390 4.8328 4.8328 5.0633 5.0633 5.4398 5.4398 6.1322 6.1322 6.2133 6.2133 8.9753 8.9753 9.5107 9.5107 10.3636 10.3636 10.7425 10.7425 10.7735 10.7735 k = 0.6076-0.3884-1.3101 ( 6289 PWs) bands (ev): -20.2013 -20.2013 -20.2008 -20.2008 -11.0832 -11.0832 -10.8394 -10.8394 -8.8549 -8.8549 -6.9996 -6.9996 -6.6207 -6.6207 -5.1631 -5.1631 -5.0535 -5.0535 -4.7872 -4.7872 -4.4354 -4.4354 1.9982 1.9982 2.3654 2.3654 2.7231 2.7231 2.9639 2.9639 3.2824 3.2824 3.4313 3.4313 3.7340 3.7340 4.1402 4.1402 4.2459 4.2459 4.8288 4.8288 5.0628 5.0628 5.4357 5.4357 6.1272 6.1272 6.2145 6.2145 8.9469 8.9469 9.5574 9.5574 10.3648 10.3648 10.7147 10.7147 10.7600 10.7600 k = 0.6009-0.3574-1.3101 ( 6287 PWs) bands (ev): -20.2020 -20.2020 -20.2014 -20.2014 -11.0811 -11.0811 -10.8375 -10.8375 -8.8549 -8.8549 -6.9919 -6.9919 -6.6277 -6.6277 -5.1534 -5.1534 -5.0480 -5.0480 -4.7904 -4.7904 -4.4451 -4.4451 1.9928 1.9928 2.3535 2.3535 2.7241 2.7241 2.9865 2.9865 3.2797 3.2797 3.4315 3.4315 3.7230 3.7230 4.1406 4.1406 4.2541 4.2541 4.8243 4.8243 5.0623 5.0623 5.4316 5.4316 6.1221 6.1221 6.2153 6.2153 8.9195 8.9195 9.6023 9.6023 10.3637 10.3637 10.6856 10.6856 10.7544 10.7544 k = 0.5941-0.3263-1.3101 ( 6285 PWs) bands (ev): -20.2027 -20.2027 -20.2020 -20.2020 -11.0789 -11.0789 -10.8357 -10.8357 -8.8549 -8.8549 -6.9834 -6.9834 -6.6355 -6.6355 -5.1432 -5.1432 -5.0419 -5.0419 -4.7936 -4.7936 -4.4560 -4.4560 1.9870 1.9870 2.3417 2.3417 2.7264 2.7264 3.0090 3.0090 3.2771 3.2771 3.4298 3.4298 3.7114 3.7114 4.1423 4.1423 4.2633 4.2633 4.8195 4.8195 5.0618 5.0618 5.4275 5.4275 6.1167 6.1167 6.2159 6.2159 8.8931 8.8931 9.6436 9.6436 10.3619 10.3619 10.6594 10.6594 10.7526 10.7526 k = 0.5874-0.2953-1.3101 ( 6285 PWs) bands (ev): -20.2034 -20.2034 -20.2027 -20.2027 -11.0767 -11.0767 -10.8338 -10.8338 -8.8549 -8.8549 -6.9741 -6.9741 -6.6440 -6.6440 -5.1327 -5.1327 -5.0351 -5.0351 -4.7966 -4.7966 -4.4680 -4.4680 1.9809 1.9809 2.3300 2.3300 2.7301 2.7301 3.0312 3.0312 3.2744 3.2744 3.4264 3.4264 3.6995 3.6995 4.1451 4.1451 4.2736 4.2736 4.8143 4.8143 5.0614 5.0614 5.4235 5.4235 6.1112 6.1112 6.2161 6.2161 8.8679 8.8679 9.6793 9.6793 10.3617 10.3617 10.6371 10.6371 10.7534 10.7534 k = 0.5807-0.2643-1.3101 ( 6283 PWs) bands (ev): -20.2041 -20.2041 -20.2034 -20.2034 -11.0745 -11.0745 -10.8320 -10.8320 -8.8548 -8.8548 -6.9642 -6.9642 -6.6532 -6.6532 -5.1221 -5.1221 -5.0279 -5.0279 -4.7993 -4.7993 -4.4812 -4.4812 1.9747 1.9747 2.3187 2.3187 2.7348 2.7348 3.0529 3.0529 3.2718 3.2718 3.4214 3.4214 3.6877 3.6877 4.1488 4.1488 4.2846 4.2846 4.8088 4.8088 5.0611 5.0611 5.4196 5.4196 6.1058 6.1058 6.2162 6.2162 8.8440 8.8440 9.7075 9.7075 10.3659 10.3659 10.6184 10.6184 10.7562 10.7562 k = 0.5740-0.2332-1.3101 ( 6287 PWs) bands (ev): -20.2047 -20.2047 -20.2040 -20.2040 -11.0724 -11.0724 -10.8303 -10.8303 -8.8546 -8.8546 -6.9536 -6.9536 -6.6631 -6.6631 -5.1115 -5.1115 -5.0202 -5.0202 -4.8014 -4.8014 -4.4953 -4.4953 1.9684 1.9684 2.3078 2.3078 2.7405 2.7405 3.0738 3.0738 3.2693 3.2693 3.4149 3.4149 3.6762 3.6762 4.1531 4.1531 4.2962 4.2962 4.8032 4.8032 5.0609 5.0609 5.4159 5.4159 6.1003 6.1003 6.2160 6.2160 8.8215 8.8215 9.7267 9.7267 10.3766 10.3766 10.6033 10.6033 10.7605 10.7605 k = 0.5672-0.2022-1.3101 ( 6287 PWs) bands (ev): -20.2054 -20.2054 -20.2046 -20.2046 -11.0704 -11.0704 -10.8286 -10.8286 -8.8544 -8.8544 -6.9425 -6.9425 -6.6735 -6.6735 -5.1011 -5.1011 -5.0124 -5.0124 -4.8026 -4.8026 -4.5105 -4.5105 1.9621 1.9621 2.2975 2.2975 2.7469 2.7469 3.0936 3.0936 3.2668 3.2668 3.4071 3.4071 3.6653 3.6653 4.1579 4.1579 4.3083 4.3083 4.7974 4.7974 5.0608 5.0608 5.4124 5.4124 6.0949 6.0949 6.2157 6.2157 8.8005 8.8005 9.7362 9.7362 10.3947 10.3947 10.5915 10.5915 10.7661 10.7661 k = 0.5605-0.1711-1.3101 ( 6293 PWs) bands (ev): -20.2060 -20.2060 -20.2052 -20.2052 -11.0685 -11.0685 -10.8270 -10.8270 -8.8542 -8.8542 -6.9308 -6.9308 -6.6845 -6.6845 -5.0910 -5.0910 -5.0047 -5.0047 -4.8027 -4.8027 -4.5265 -4.5265 1.9561 1.9561 2.2879 2.2879 2.7540 2.7540 3.1123 3.1123 3.2643 3.2643 3.3984 3.3984 3.6551 3.6551 4.1629 4.1629 4.3206 4.3206 4.7917 4.7917 5.0606 5.0606 5.4092 5.4092 6.0897 6.0897 6.2153 6.2153 8.7812 8.7812 9.7367 9.7367 10.4190 10.4190 10.5839 10.5839 10.7724 10.7724 k = 0.5538-0.1401-1.3101 ( 6287 PWs) bands (ev): -20.2066 -20.2066 -20.2058 -20.2058 -11.0667 -11.0667 -10.8256 -10.8256 -8.8540 -8.8540 -6.9186 -6.9186 -6.6960 -6.6960 -5.0814 -5.0814 -4.9975 -4.9975 -4.8013 -4.8013 -4.5432 -4.5432 1.9503 1.9503 2.2791 2.2791 2.7613 2.7613 3.1298 3.1298 3.2618 3.2618 3.3890 3.3890 3.6459 3.6459 4.1678 4.1678 4.3328 4.3328 4.7860 4.7860 5.0606 5.0606 5.4062 5.4062 6.0847 6.0847 6.2148 6.2148 8.7635 8.7635 9.7302 9.7302 10.4459 10.4459 10.5821 10.5821 10.7791 10.7791 k = 0.5471-0.1090-1.3101 ( 6290 PWs) bands (ev): -20.2071 -20.2071 -20.2063 -20.2063 -11.0651 -11.0651 -10.8243 -10.8243 -8.8538 -8.8538 -6.9060 -6.9060 -6.7079 -6.7079 -5.0722 -5.0722 -4.9913 -4.9913 -4.7980 -4.7980 -4.5606 -4.5606 1.9449 1.9449 2.2712 2.2712 2.7688 2.7688 3.1458 3.1458 3.2594 3.2594 3.3793 3.3793 3.6376 3.6376 4.1726 4.1726 4.3447 4.3447 4.7805 4.7805 5.0606 5.0606 5.4036 5.4036 6.0801 6.0801 6.2143 6.2143 8.7477 8.7477 9.7189 9.7189 10.4692 10.4692 10.5898 10.5898 10.7860 10.7860 k = 0.5403-0.0780-1.3101 ( 6284 PWs) bands (ev): -20.2076 -20.2076 -20.2067 -20.2067 -11.0636 -11.0636 -10.8232 -10.8232 -8.8536 -8.8536 -6.8932 -6.8932 -6.7202 -6.7202 -5.0636 -5.0636 -4.9863 -4.9863 -4.7927 -4.7927 -4.5783 -4.5783 1.9400 1.9400 2.2641 2.2641 2.7761 2.7761 3.1603 3.1603 3.2570 3.2570 3.3696 3.3696 3.6304 3.6304 4.1770 4.1770 4.3559 4.3559 4.7754 4.7754 5.0606 5.0606 5.4012 5.4012 6.0759 6.0759 6.2138 6.2138 8.7338 8.7338 9.7049 9.7049 10.4833 10.4833 10.6098 10.6098 10.7926 10.7926 k = 0.5336-0.0469-1.3101 ( 6288 PWs) bands (ev): -20.2080 -20.2080 -20.2071 -20.2071 -11.0624 -11.0624 -10.8222 -10.8222 -8.8534 -8.8534 -6.8801 -6.8801 -6.7328 -6.7328 -5.0558 -5.0558 -4.9827 -4.9827 -4.7852 -4.7852 -4.5963 -4.5963 1.9357 1.9357 2.2581 2.2581 2.7829 2.7829 3.1733 3.1733 3.2546 3.2546 3.3605 3.3605 3.6243 3.6243 4.1810 4.1810 4.3661 4.3661 4.7707 4.7707 5.0605 5.0605 5.3992 5.3992 6.0721 6.0721 6.2133 6.2133 8.7219 8.7219 9.6902 9.6902 10.4886 10.4886 10.6392 10.6392 10.7988 10.7988 k = 0.5269-0.0159-1.3101 ( 6284 PWs) bands (ev): -20.2083 -20.2083 -20.2074 -20.2074 -11.0613 -11.0613 -10.8214 -10.8214 -8.8532 -8.8532 -6.8671 -6.8671 -6.7454 -6.7454 -5.0487 -5.0487 -4.9805 -4.9805 -4.7760 -4.7760 -4.6140 -4.6140 1.9321 1.9321 2.2531 2.2531 2.7890 2.7890 3.1845 3.1845 3.2522 3.2522 3.3521 3.3521 3.6193 3.6193 4.1844 4.1844 4.3751 4.3751 4.7667 4.7667 5.0606 5.0606 5.3975 5.3975 6.0690 6.0690 6.2128 6.2128 8.7120 8.7120 9.6763 9.6763 10.4891 10.4891 10.6712 10.6712 10.8041 10.8041 k = 0.5202 0.0152-1.3101 ( 6278 PWs) bands (ev): -20.2086 -20.2086 -20.2077 -20.2077 -11.0605 -11.0605 -10.8207 -10.8207 -8.8531 -8.8531 -6.8542 -6.8542 -6.7579 -6.7579 -5.0427 -5.0427 -4.9795 -4.9795 -4.7655 -4.7655 -4.6309 -4.6309 1.9292 1.9292 2.2492 2.2492 2.7941 2.7941 3.1940 3.1940 3.2498 3.2498 3.3451 3.3451 3.6154 3.6154 4.1872 4.1872 4.3824 4.3824 4.7634 4.7634 5.0606 5.0606 5.3962 5.3962 6.0664 6.0664 6.2124 6.2124 8.7043 8.7043 9.6645 9.6645 10.4878 10.4878 10.7006 10.7006 10.8085 10.8085 k = 0.5134 0.0462-1.3101 ( 6286 PWs) bands (ev): -20.2088 -20.2088 -20.2079 -20.2079 -11.0599 -11.0599 -10.8203 -10.8203 -8.8530 -8.8530 -6.8423 -6.8423 -6.7696 -6.7696 -5.0381 -5.0381 -4.9793 -4.9793 -4.7548 -4.7548 -4.6459 -4.6459 1.9271 1.9271 2.2463 2.2463 2.7979 2.7979 3.2014 3.2014 3.2476 3.2476 3.3398 3.3398 3.6126 3.6126 4.1892 4.1892 4.3878 4.3878 4.7608 4.7608 5.0606 5.0606 5.3952 5.3952 6.0646 6.0646 6.2122 6.2122 8.6987 8.6987 9.6554 9.6554 10.4862 10.4862 10.7238 10.7238 10.8118 10.8118 k = 0.5067 0.0772-1.3101 ( 6294 PWs) bands (ev): -20.2089 -20.2089 -20.2080 -20.2080 -11.0596 -11.0596 -10.8200 -10.8200 -8.8529 -8.8529 -6.8325 -6.8325 -6.7792 -6.7792 -5.0351 -5.0351 -4.9794 -4.9794 -4.7462 -4.7462 -4.6571 -4.6571 1.9258 1.9258 2.2446 2.2446 2.8003 2.8003 3.2062 3.2062 3.2459 3.2459 3.3364 3.3364 3.6110 3.6110 4.1904 4.1904 4.3912 4.3912 4.7593 4.7593 5.0606 5.0606 5.3946 5.3946 6.0634 6.0634 6.2120 6.2120 8.6954 8.6954 9.6498 9.6498 10.4850 10.4850 10.7386 10.7386 10.8138 10.8138 k = 0.5000 0.1083-1.3101 ( 6300 PWs) bands (ev): -20.2089 -20.2089 -20.2080 -20.2080 -11.0594 -11.0594 -10.8199 -10.8199 -8.8529 -8.8529 -6.8283 -6.8283 -6.7833 -6.7833 -5.0340 -5.0340 -4.9796 -4.9796 -4.7427 -4.7427 -4.6615 -4.6615 1.9254 1.9254 2.2440 2.2440 2.8011 2.8011 3.2080 3.2080 3.2453 3.2453 3.3352 3.3352 3.6104 3.6104 4.1908 4.1908 4.3923 4.3923 4.7587 4.7587 5.0605 5.0605 5.3944 5.3944 6.0631 6.0631 6.2119 6.2119 8.6942 8.6942 9.6479 9.6479 10.4846 10.4846 10.7437 10.7437 10.8144 10.8144 k = 0.5000 0.1083-1.3101 ( 6300 PWs) bands (ev): -20.2089 -20.2089 -20.2080 -20.2080 -11.0594 -11.0594 -10.8199 -10.8199 -8.8529 -8.8529 -6.8283 -6.8283 -6.7833 -6.7833 -5.0340 -5.0340 -4.9796 -4.9796 -4.7427 -4.7427 -4.6615 -4.6615 1.9254 1.9254 2.2440 2.2440 2.8011 2.8011 3.2080 3.2080 3.2453 3.2453 3.3352 3.3352 3.6104 3.6104 4.1908 4.1908 4.3923 4.3923 4.7587 4.7587 5.0605 5.0605 5.3944 5.3944 6.0631 6.0631 6.2119 6.2119 8.6942 8.6942 9.6479 9.6479 10.4846 10.4846 10.7437 10.7437 10.8144 10.8144 k = 0.5269 0.1141-1.2994 ( 6295 PWs) bands (ev): -20.2089 -20.2089 -20.2080 -20.2080 -11.0594 -11.0594 -10.8199 -10.8199 -8.8529 -8.8529 -6.8285 -6.8285 -6.7832 -6.7832 -5.0340 -5.0340 -4.9796 -4.9796 -4.7431 -4.7431 -4.6610 -4.6610 1.9247 1.9247 2.2451 2.2451 2.8011 2.8011 3.2079 3.2079 3.2438 3.2438 3.3375 3.3375 3.6095 3.6095 4.1905 4.1905 4.3919 4.3919 4.7588 4.7588 5.0606 5.0606 5.3945 5.3945 6.0632 6.0632 6.2120 6.2120 8.6932 8.6932 9.6483 9.6483 10.4849 10.4849 10.7454 10.7454 10.8113 10.8113 k = 0.5538 0.1199-1.2886 ( 6305 PWs) bands (ev): -20.2089 -20.2089 -20.2081 -20.2081 -11.0592 -11.0592 -10.8199 -10.8199 -8.8529 -8.8529 -6.8290 -6.8290 -6.7827 -6.7827 -5.0338 -5.0338 -4.9798 -4.9798 -4.7445 -4.7445 -4.6595 -4.6595 1.9227 1.9227 2.2483 2.2483 2.8010 2.8010 3.2074 3.2074 3.2403 3.2403 3.3437 3.3437 3.6069 3.6069 4.1897 4.1897 4.3904 4.3904 4.7589 4.7589 5.0606 5.0606 5.3948 5.3948 6.0634 6.0634 6.2121 6.2121 8.6900 8.6900 9.6494 9.6494 10.4857 10.4857 10.7507 10.7507 10.8025 10.8025 k = 0.5807 0.1258-1.2779 ( 6309 PWs) bands (ev): -20.2090 -20.2090 -20.2081 -20.2081 -11.0590 -11.0590 -10.8200 -10.8200 -8.8528 -8.8528 -6.8297 -6.8297 -6.7820 -6.7820 -5.0336 -5.0336 -4.9801 -4.9801 -4.7466 -4.7466 -4.6571 -4.6571 1.9194 1.9194 2.2534 2.2534 2.8009 2.8009 3.2058 3.2058 3.2364 3.2364 3.3529 3.3529 3.6026 3.6026 4.1884 4.1884 4.3881 4.3881 4.7590 4.7590 5.0606 5.0606 5.3952 5.3952 6.0638 6.0638 6.2124 6.2124 8.6849 8.6849 9.6512 9.6512 10.4868 10.4868 10.7594 10.7594 10.7891 10.7891 k = 0.6076 0.1316-1.2671 ( 6313 PWs) bands (ev): -20.2090 -20.2090 -20.2082 -20.2082 -11.0586 -11.0586 -10.8201 -10.8201 -8.8528 -8.8528 -6.8307 -6.8307 -6.7810 -6.7810 -5.0333 -5.0333 -4.9805 -4.9805 -4.7493 -4.7493 -4.6541 -4.6541 1.9152 1.9152 2.2603 2.2603 2.8009 2.8009 3.2022 3.2022 3.2340 3.2340 3.3640 3.3640 3.5968 3.5968 4.1866 4.1866 4.3848 4.3848 4.7593 4.7593 5.0606 5.0606 5.3958 5.3958 6.0644 6.0644 6.2127 6.2127 8.6781 8.6781 9.6536 9.6536 10.4879 10.4879 10.7690 10.7690 10.7751 10.7751 k = 0.6345 0.1374-1.2564 ( 6308 PWs) bands (ev): -20.2090 -20.2090 -20.2082 -20.2082 -11.0582 -11.0582 -10.8201 -10.8201 -8.8527 -8.8527 -6.8319 -6.8319 -6.7799 -6.7799 -5.0329 -5.0329 -4.9810 -4.9810 -4.7523 -4.7523 -4.6506 -4.6506 1.9102 1.9102 2.2685 2.2685 2.8008 2.8008 3.1963 3.1963 3.2340 3.2340 3.3761 3.3761 3.5894 3.5894 4.1844 4.1844 4.3807 4.3807 4.7596 4.7596 5.0607 5.0607 5.3965 5.3965 6.0651 6.0651 6.2132 6.2132 8.6700 8.6700 9.6566 9.6566 10.4885 10.4885 10.7537 10.7537 10.7878 10.7878 k = 0.6614 0.1432-1.2456 ( 6302 PWs) bands (ev): -20.2091 -20.2091 -20.2083 -20.2083 -11.0577 -11.0577 -10.8202 -10.8202 -8.8526 -8.8526 -6.8332 -6.8332 -6.7786 -6.7786 -5.0324 -5.0324 -4.9815 -4.9815 -4.7556 -4.7556 -4.6468 -4.6468 1.9047 1.9047 2.2778 2.2778 2.8009 2.8009 3.1889 3.1889 3.2359 3.2359 3.3889 3.3889 3.5807 3.5807 4.1820 4.1820 4.3759 4.3759 4.7600 4.7600 5.0608 5.0608 5.3972 5.3972 6.0660 6.0660 6.2137 6.2137 8.6609 8.6609 9.6600 9.6600 10.4884 10.4884 10.7351 10.7351 10.8061 10.8061 k = 0.6614 0.1432-1.2456 ( 6302 PWs) bands (ev): -20.2091 -20.2091 -20.2083 -20.2083 -11.0577 -11.0577 -10.8202 -10.8202 -8.8526 -8.8526 -6.8332 -6.8332 -6.7786 -6.7786 -5.0324 -5.0324 -4.9815 -4.9815 -4.7556 -4.7556 -4.6468 -4.6468 1.9047 1.9047 2.2778 2.2778 2.8009 2.8009 3.1889 3.1889 3.2359 3.2359 3.3889 3.3889 3.5807 3.5807 4.1820 4.1820 4.3759 4.3759 4.7600 4.7600 5.0608 5.0608 5.3972 5.3972 6.0660 6.0660 6.2137 6.2137 8.6609 8.6609 9.6600 9.6600 10.4884 10.4884 10.7351 10.7351 10.8061 10.8061 k = 0.6575 0.1424-1.2144 ( 6297 PWs) bands (ev): -20.2095 -20.2095 -20.2088 -20.2088 -11.0560 -11.0560 -10.8184 -10.8184 -8.8537 -8.8537 -6.8350 -6.8350 -6.7761 -6.7761 -5.0314 -5.0314 -4.9821 -4.9821 -4.7547 -4.7547 -4.6459 -4.6459 1.9058 1.9058 2.2808 2.2808 2.7952 2.7952 3.1902 3.1902 3.2445 3.2445 3.3795 3.3795 3.5824 3.5824 4.1790 4.1790 4.3759 4.3759 4.7601 4.7601 5.0601 5.0601 5.3924 5.3924 6.0623 6.0623 6.2112 6.2112 8.6630 8.6630 9.6656 9.6656 10.4854 10.4854 10.7379 10.7379 10.8149 10.8149 k = 0.6537 0.1416-1.1832 ( 6294 PWs) bands (ev): -20.2101 -20.2101 -20.2094 -20.2094 -11.0534 -11.0534 -10.8156 -10.8156 -8.8552 -8.8552 -6.8375 -6.8375 -6.7725 -6.7725 -5.0301 -5.0301 -4.9827 -4.9827 -4.7535 -4.7535 -4.6446 -4.6446 1.9068 1.9068 2.2861 2.2861 2.7880 2.7880 3.1919 3.1919 3.2531 3.2531 3.3699 3.3699 3.5842 3.5842 4.1746 4.1746 4.3743 4.3743 4.7604 4.7604 5.0591 5.0591 5.3849 5.3849 6.0576 6.0576 6.2078 6.2078 8.6673 8.6673 9.6745 9.6745 10.4829 10.4829 10.7358 10.7358 10.8344 10.8344 k = 0.6498 0.1407-1.1520 ( 6298 PWs) bands (ev): -20.2110 -20.2110 -20.2103 -20.2103 -11.0500 -11.0500 -10.8119 -10.8119 -8.8574 -8.8574 -6.8404 -6.8404 -6.7682 -6.7682 -5.0286 -5.0286 -4.9830 -4.9830 -4.7519 -4.7519 -4.6429 -4.6429 1.9077 1.9077 2.2934 2.2934 2.7796 2.7796 3.1943 3.1943 3.2613 3.2613 3.3599 3.3599 3.5863 3.5863 4.1689 4.1689 4.3711 4.3711 4.7607 4.7607 5.0578 5.0578 5.3747 5.3747 6.0520 6.0520 6.2036 6.2036 8.6736 8.6736 9.6866 9.6866 10.4814 10.4814 10.7346 10.7346 10.8582 10.8582 k = 0.6460 0.1399-1.1209 ( 6285 PWs) bands (ev): -20.2121 -20.2121 -20.2114 -20.2114 -11.0458 -11.0458 -10.8072 -10.8072 -8.8600 -8.8600 -6.8435 -6.8435 -6.7633 -6.7633 -5.0269 -5.0269 -4.9830 -4.9830 -4.7500 -4.7500 -4.6408 -4.6408 1.9083 1.9083 2.3029 2.3029 2.7703 2.7703 3.1971 3.1971 3.2688 3.2688 3.3496 3.3496 3.5887 3.5887 4.1620 4.1620 4.3662 4.3662 4.7612 4.7612 5.0562 5.0562 5.3621 5.3621 6.0455 6.0455 6.1986 6.1986 8.6819 8.6819 9.7016 9.7016 10.4811 10.4811 10.7368 10.7368 10.8832 10.8832 k = 0.6422 0.1391-1.0897 ( 6283 PWs) bands (ev): -20.2134 -20.2134 -20.2127 -20.2127 -11.0407 -11.0407 -10.8016 -10.8016 -8.8632 -8.8632 -6.8467 -6.8467 -6.7580 -6.7580 -5.0253 -5.0253 -4.9825 -4.9825 -4.7479 -4.7479 -4.6384 -4.6384 1.9086 1.9086 2.3144 2.3144 2.7606 2.7606 3.2004 3.2004 3.2752 3.2752 3.3390 3.3390 3.5915 3.5915 4.1543 4.1543 4.3598 4.3598 4.7618 4.7618 5.0541 5.0541 5.3471 5.3471 6.0383 6.0383 6.1930 6.1930 8.6919 8.6919 9.7189 9.7189 10.4823 10.4823 10.7430 10.7430 10.9075 10.9075 k = 0.6383 0.1382-1.0585 ( 6281 PWs) bands (ev): -20.2150 -20.2150 -20.2142 -20.2142 -11.0348 -11.0348 -10.7952 -10.7952 -8.8668 -8.8668 -6.8499 -6.8499 -6.7524 -6.7524 -5.0239 -5.0239 -4.9812 -4.9812 -4.7456 -4.7456 -4.6357 -4.6357 1.9085 1.9085 2.3279 2.3279 2.7508 2.7508 3.2038 3.2038 3.2804 3.2804 3.3283 3.3283 3.5946 3.5946 4.1458 4.1458 4.3519 4.3519 4.7624 4.7624 5.0517 5.0517 5.3299 5.3299 6.0304 6.0304 6.1867 6.1867 8.7037 8.7037 9.7380 9.7380 10.4854 10.4854 10.7532 10.7532 10.9299 10.9299 k = 0.6345 0.1374-1.0273 ( 6275 PWs) bands (ev): -20.2167 -20.2167 -20.2158 -20.2158 -11.0282 -11.0282 -10.7879 -10.7879 -8.8709 -8.8709 -6.8530 -6.8530 -6.7466 -6.7466 -5.0227 -5.0227 -4.9790 -4.9790 -4.7431 -4.7431 -4.6327 -4.6327 1.9080 1.9080 2.3433 2.3433 2.7413 2.7413 3.2070 3.2070 3.2841 3.2841 3.3179 3.3179 3.5980 3.5980 4.1368 4.1368 4.3425 4.3425 4.7630 4.7630 5.0489 5.0489 5.3107 5.3107 6.0221 6.0221 6.1798 6.1798 8.7171 8.7171 9.7585 9.7585 10.4904 10.4904 10.7672 10.7672 10.9495 10.9495 k = 0.6306 0.1366-0.9961 ( 6275 PWs) bands (ev): -20.2186 -20.2186 -20.2177 -20.2177 -11.0208 -11.0208 -10.7798 -10.7798 -8.8754 -8.8754 -6.8559 -6.8559 -6.7406 -6.7406 -5.0219 -5.0219 -4.9759 -4.9759 -4.7406 -4.7406 -4.6295 -4.6295 1.9070 1.9070 2.3602 2.3602 2.7325 2.7325 3.2095 3.2095 3.2853 3.2853 3.3090 3.3090 3.6018 3.6018 4.1274 4.1274 4.3316 4.3316 4.7636 4.7636 5.0455 5.0455 5.2898 5.2898 6.0134 6.0134 6.1723 6.1723 8.7321 8.7321 9.7797 9.7797 10.4976 10.4976 10.7846 10.7846 10.9654 10.9654 k = 0.6268 0.1358-0.9649 ( 6275 PWs) bands (ev): -20.2207 -20.2207 -20.2197 -20.2197 -11.0128 -11.0128 -10.7709 -10.7709 -8.8803 -8.8803 -6.8587 -6.8587 -6.7347 -6.7347 -5.0215 -5.0215 -4.9718 -4.9718 -4.7380 -4.7380 -4.6262 -4.6262 1.9055 1.9055 2.3785 2.3785 2.7248 2.7248 3.2107 3.2107 3.2815 3.2815 3.3047 3.3047 3.6057 3.6057 4.1179 4.1179 4.3194 4.3194 4.7642 4.7642 5.0416 5.0416 5.2674 5.2674 6.0044 6.0044 6.1644 6.1644 8.7486 8.7486 9.8009 9.8009 10.5068 10.5068 10.8050 10.8050 10.9767 10.9767 k = 0.6230 0.1349-0.9337 ( 6277 PWs) bands (ev): -20.2230 -20.2230 -20.2219 -20.2219 -11.0041 -11.0041 -10.7612 -10.7612 -8.8855 -8.8855 -6.8612 -6.8612 -6.7287 -6.7287 -5.0212 -5.0212 -4.9668 -4.9668 -4.7354 -4.7354 -4.6228 -4.6228 1.9034 1.9034 2.3978 2.3978 2.7188 2.7188 3.2099 3.2099 3.2725 3.2725 3.3058 3.3058 3.6098 3.6098 4.1083 4.1083 4.3060 4.3060 4.7648 4.7648 5.0370 5.0370 5.2440 5.2440 5.9953 5.9953 6.1560 6.1560 8.7667 8.7667 9.8215 9.8215 10.5177 10.5177 10.8278 10.8278 10.9831 10.9831 k = 0.6191 0.1341-0.9025 ( 6284 PWs) bands (ev): -20.2254 -20.2254 -20.2243 -20.2243 -10.9948 -10.9948 -10.7509 -10.7509 -8.8911 -8.8911 -6.8635 -6.8635 -6.7227 -6.7227 -5.0211 -5.0211 -4.9609 -4.9609 -4.7328 -4.7328 -4.6194 -4.6194 1.9007 1.9007 2.4175 2.4175 2.7151 2.7151 3.2068 3.2068 3.2611 3.2611 3.3100 3.3100 3.6139 3.6139 4.0988 4.0988 4.2913 4.2913 4.7652 4.7652 5.0314 5.0314 5.2199 5.2199 5.9862 5.9862 6.1473 6.1473 8.7862 8.7862 9.8410 9.8410 10.5300 10.5300 10.8523 10.8523 10.9841 10.9841 k = 0.6153 0.1333-0.8713 ( 6277 PWs) bands (ev): -20.2279 -20.2279 -20.2268 -20.2268 -10.9849 -10.9849 -10.7400 -10.7400 -8.8968 -8.8968 -6.8655 -6.8655 -6.7169 -6.7169 -5.0209 -5.0209 -4.9544 -4.9544 -4.7302 -4.7302 -4.6161 -4.6161 1.8974 1.8974 2.4370 2.4370 2.7144 2.7144 3.2010 3.2010 3.2487 3.2487 3.3163 3.3163 3.6178 3.6178 4.0893 4.0893 4.2755 4.2755 4.7655 4.7655 5.0247 5.0247 5.1957 5.1957 5.9771 5.9771 6.1382 6.1382 8.8073 8.8073 9.8587 9.8587 10.5429 10.5429 10.8780 10.8780 10.9801 10.9801 k = 0.6114 0.1324-0.8401 ( 6276 PWs) bands (ev): -20.2306 -20.2306 -20.2294 -20.2294 -10.9745 -10.9745 -10.7285 -10.7285 -8.9028 -8.9028 -6.8672 -6.8672 -6.7113 -6.7113 -5.0206 -5.0206 -4.9472 -4.9472 -4.7276 -4.7276 -4.6129 -4.6129 1.8935 1.8935 2.4555 2.4555 2.7176 2.7176 3.1926 3.1926 3.2359 3.2359 3.3243 3.3243 3.6214 3.6214 4.0801 4.0801 4.2587 4.2587 4.7657 4.7657 5.0164 5.0164 5.1720 5.1720 5.9682 5.9682 6.1289 6.1289 8.8299 8.8299 9.8742 9.8742 10.5556 10.5556 10.9038 10.9038 10.9714 10.9714 k = 0.6076 0.1316-0.8089 ( 6261 PWs) bands (ev): -20.2334 -20.2334 -20.2321 -20.2321 -10.9637 -10.9637 -10.7166 -10.7166 -8.9089 -8.9089 -6.8687 -6.8687 -6.7058 -6.7058 -5.0201 -5.0201 -4.9395 -4.9395 -4.7251 -4.7251 -4.6099 -4.6099 1.8890 1.8890 2.4722 2.4722 2.7252 2.7252 3.1820 3.1820 3.2227 3.2227 3.3337 3.3337 3.6246 3.6246 4.0710 4.0710 4.2410 4.2410 4.7655 4.7655 5.0062 5.0062 5.1496 5.1496 5.9595 5.9595 6.1194 6.1194 8.8539 8.8539 9.8871 9.8871 10.5672 10.5672 10.9269 10.9269 10.9608 10.9608 k = 0.6037 0.1308-0.7777 ( 6265 PWs) bands (ev): -20.2363 -20.2363 -20.2350 -20.2350 -10.9524 -10.9524 -10.7041 -10.7041 -8.9151 -8.9151 -6.8698 -6.8698 -6.7006 -6.7006 -5.0193 -5.0193 -4.9314 -4.9314 -4.7226 -4.7226 -4.6072 -4.6072 1.8840 1.8840 2.4866 2.4866 2.7380 2.7380 3.1695 3.1695 3.2092 3.2092 3.3443 3.3443 3.6273 3.6273 4.0621 4.0621 4.2225 4.2225 4.7650 4.7650 4.9933 4.9933 5.1293 5.1293 5.9510 5.9510 6.1097 6.1097 8.8793 8.8793 9.8971 9.8971 10.5764 10.5764 10.9304 10.9304 10.9653 10.9653 k = 0.5999 0.1299-0.7465 ( 6260 PWs) bands (ev): -20.2392 -20.2392 -20.2379 -20.2379 -10.9409 -10.9409 -10.6913 -10.6913 -8.9214 -8.9214 -6.8706 -6.8706 -6.6957 -6.6957 -5.0181 -5.0181 -4.9229 -4.9229 -4.7202 -4.7202 -4.6048 -4.6048 1.8784 1.8784 2.4983 2.4983 2.7562 2.7562 3.1558 3.1558 3.1954 3.1954 3.3560 3.3560 3.6294 3.6294 4.0532 4.0532 4.2033 4.2033 4.7640 4.7640 4.9776 4.9776 5.1118 5.1118 5.9429 5.9429 6.1000 6.1000 8.9060 8.9060 9.9039 9.9039 10.5819 10.5819 10.9124 10.9124 10.9869 10.9869 k = 0.5961 0.1291-0.7153 ( 6260 PWs) bands (ev): -20.2423 -20.2423 -20.2408 -20.2408 -10.9290 -10.9290 -10.6782 -10.6782 -8.9278 -8.9278 -6.8711 -6.8711 -6.6912 -6.6912 -5.0166 -5.0166 -4.9140 -4.9140 -4.7178 -4.7178 -4.6029 -4.6029 1.8722 1.8722 2.5076 2.5076 2.7793 2.7793 3.1410 3.1410 3.1812 3.1812 3.3685 3.3685 3.6310 3.6310 4.0444 4.0444 4.1836 4.1836 4.7623 4.7623 4.9591 4.9591 5.0973 5.0973 5.9352 5.9352 6.0903 6.0903 8.9338 8.9338 9.9075 9.9075 10.5823 10.5823 10.8896 10.8896 11.0099 11.0099 k = 0.5922 0.1283-0.6842 ( 6260 PWs) bands (ev): -20.2453 -20.2453 -20.2438 -20.2438 -10.9169 -10.9169 -10.6649 -10.6649 -8.9341 -8.9341 -6.8712 -6.8712 -6.6870 -6.6870 -5.0146 -5.0146 -4.9050 -4.9050 -4.7154 -4.7154 -4.6013 -4.6013 1.8656 1.8656 2.5150 2.5150 2.8067 2.8067 3.1258 3.1258 3.1667 3.1667 3.3817 3.3817 3.6320 3.6320 4.0354 4.0354 4.1635 4.1635 4.7597 4.7597 4.9385 4.9385 5.0857 5.0857 5.9279 5.9279 6.0806 6.0806 8.9626 8.9626 9.9077 9.9077 10.5759 10.5759 10.8651 10.8651 11.0318 11.0318 k = 0.5884 0.1274-0.6530 ( 6261 PWs) bands (ev): -20.2484 -20.2484 -20.2469 -20.2469 -10.9047 -10.9047 -10.6514 -10.6514 -8.9403 -8.9403 -6.8709 -6.8709 -6.6833 -6.6833 -5.0121 -5.0121 -4.8957 -4.8957 -4.7131 -4.7131 -4.6004 -4.6004 1.8586 1.8586 2.5210 2.5210 2.8376 2.8376 3.1103 3.1103 3.1520 3.1520 3.3954 3.3954 3.6323 3.6323 4.0261 4.0261 4.1431 4.1431 4.7556 4.7556 4.9170 4.9170 5.0764 5.0764 5.9212 5.9212 6.0711 6.0711 8.9921 8.9921 9.9046 9.9046 10.5611 10.5611 10.8410 10.8410 11.0526 11.0526 k = 0.5845 0.1266-0.6218 ( 6261 PWs) bands (ev): -20.2516 -20.2516 -20.2500 -20.2500 -10.8923 -10.8923 -10.6379 -10.6379 -8.9465 -8.9465 -6.8703 -6.8703 -6.6800 -6.6800 -5.0092 -5.0092 -4.8863 -4.8863 -4.7109 -4.7109 -4.5999 -4.5999 1.8511 1.8511 2.5264 2.5264 2.8708 2.8708 3.0951 3.0951 3.1373 3.1373 3.4096 3.4096 3.6322 3.6322 4.0164 4.0164 4.1226 4.1226 4.7497 4.7497 4.8956 4.8956 5.0689 5.0689 5.9149 5.9149 6.0618 6.0618 9.0220 9.0220 9.8981 9.8981 10.5367 10.5367 10.8189 10.8189 11.0720 11.0720 k = 0.5807 0.1258-0.5906 ( 6262 PWs) bands (ev): -20.2547 -20.2547 -20.2530 -20.2530 -10.8800 -10.8800 -10.6243 -10.6243 -8.9525 -8.9525 -6.8694 -6.8694 -6.6772 -6.6772 -5.0057 -5.0057 -4.8768 -4.8768 -4.7088 -4.7088 -4.6001 -4.6001 1.8434 1.8434 2.5315 2.5315 2.9053 2.9053 3.0809 3.0809 3.1226 3.1226 3.4241 3.4241 3.6316 3.6316 4.0061 4.0061 4.1022 4.1022 4.7411 4.7411 4.8759 4.8759 5.0628 5.0628 5.9092 5.9092 6.0527 6.0527 9.0519 9.0519 9.8884 9.8884 10.5025 10.5025 10.7998 10.7998 11.0901 11.0901 k = 0.5768 0.1249-0.5594 ( 6258 PWs) bands (ev): -20.2578 -20.2578 -20.2561 -20.2561 -10.8676 -10.8676 -10.6108 -10.6108 -8.9583 -8.9583 -6.8680 -6.8680 -6.6749 -6.6749 -5.0018 -5.0018 -4.8672 -4.8672 -4.7068 -4.7068 -4.6009 -4.6009 1.8354 1.8354 2.5368 2.5368 2.9390 2.9390 3.0689 3.0689 3.1081 3.1081 3.4389 3.4389 3.6306 3.6306 3.9950 3.9950 4.0820 4.0820 4.7292 4.7292 4.8590 4.8590 5.0577 5.0577 5.9041 5.9041 6.0439 6.0439 9.0814 9.0814 9.8756 9.8756 10.4593 10.4593 10.7842 10.7842 11.1072 11.1072 k = 0.5730 0.1241-0.5282 ( 6254 PWs) bands (ev): -20.2609 -20.2609 -20.2591 -20.2591 -10.8553 -10.8553 -10.5974 -10.5974 -8.9640 -8.9640 -6.8663 -6.8663 -6.6731 -6.6731 -4.9973 -4.9973 -4.8576 -4.8576 -4.7049 -4.7049 -4.6024 -4.6024 1.8272 1.8272 2.5426 2.5426 2.9680 2.9680 3.0623 3.0623 3.0944 3.0944 3.4537 3.4537 3.6294 3.6294 3.9830 3.9830 4.0621 4.0621 4.7139 4.7139 4.8454 4.8454 5.0534 5.0534 5.8996 5.8996 6.0354 6.0354 9.1101 9.1101 9.8597 9.8597 10.4086 10.4086 10.7721 10.7721 11.1230 11.1230 k = 0.5692 0.1233-0.4970 ( 6252 PWs) bands (ev): -20.2639 -20.2639 -20.2621 -20.2621 -10.8433 -10.8433 -10.5843 -10.5843 -8.9694 -8.9694 -6.8642 -6.8642 -6.6719 -6.6719 -4.9923 -4.9923 -4.8481 -4.8481 -4.7030 -4.7030 -4.6045 -4.6045 1.8189 1.8189 2.5490 2.5490 2.9845 2.9845 3.0653 3.0653 3.0851 3.0851 3.4685 3.4685 3.6281 3.6281 3.9700 3.9700 4.0427 4.0427 4.6954 4.6954 4.8353 4.8353 5.0497 5.0497 5.8957 5.8957 6.0274 6.0274 9.1375 9.1375 9.8408 9.8408 10.3526 10.3526 10.7633 10.7633 11.1378 11.1378 k = 0.5653 0.1224-0.4658 ( 6251 PWs) bands (ev): -20.2669 -20.2669 -20.2650 -20.2650 -10.8314 -10.8314 -10.5714 -10.5714 -8.9745 -8.9745 -6.8618 -6.8618 -6.6712 -6.6712 -4.9868 -4.9868 -4.8386 -4.8386 -4.7013 -4.7013 -4.6073 -4.6073 1.8106 1.8106 2.5561 2.5561 2.9850 2.9850 3.0606 3.0606 3.1003 3.1003 3.4830 3.4830 3.6270 3.6270 3.9561 3.9561 4.0238 4.0238 4.6747 4.6747 4.8280 4.8280 5.0465 5.0465 5.8923 5.8923 6.0198 6.0198 9.1631 9.1631 9.8189 9.8189 10.2930 10.2930 10.7579 10.7579 11.1513 11.1513 k = 0.5615 0.1216-0.4346 ( 6242 PWs) bands (ev): -20.2697 -20.2697 -20.2679 -20.2679 -10.8198 -10.8198 -10.5589 -10.5589 -8.9794 -8.9794 -6.8590 -6.8590 -6.6711 -6.6711 -4.9808 -4.9808 -4.8293 -4.8293 -4.6998 -4.6998 -4.6108 -4.6108 1.8022 1.8022 2.5640 2.5640 2.9772 2.9772 3.0485 3.0485 3.1322 3.1322 3.4971 3.4971 3.6262 3.6262 3.9412 3.9412 4.0052 4.0052 4.6526 4.6526 4.8228 4.8228 5.0437 5.0437 5.8896 5.8896 6.0127 6.0127 9.1865 9.1865 9.7939 9.7939 10.2320 10.2320 10.7558 10.7558 11.1635 11.1635 k = 0.5576 0.1208-0.4034 ( 6240 PWs) bands (ev): -20.2725 -20.2725 -20.2706 -20.2706 -10.8085 -10.8085 -10.5468 -10.5468 -8.9840 -8.9840 -6.8558 -6.8558 -6.6715 -6.6715 -4.9744 -4.9744 -4.8201 -4.8201 -4.6984 -4.6984 -4.6149 -4.6149 1.7940 1.7940 2.5727 2.5727 2.9665 2.9665 3.0358 3.0358 3.1681 3.1681 3.5103 3.5103 3.6262 3.6262 3.9257 3.9257 3.9869 3.9869 4.6302 4.6302 4.8190 4.8190 5.0412 5.0412 5.8873 5.8873 6.0062 6.0062 9.2074 9.2074 9.7657 9.7657 10.1710 10.1710 10.7574 10.7574 11.1742 11.1742 k = 0.5538 0.1199-0.3722 ( 6240 PWs) bands (ev): -20.2752 -20.2752 -20.2733 -20.2733 -10.7977 -10.7977 -10.5352 -10.5352 -8.9883 -8.9883 -6.8523 -6.8523 -6.6725 -6.6725 -4.9675 -4.9675 -4.8111 -4.8111 -4.6972 -4.6972 -4.6197 -4.6197 1.7860 1.7860 2.5820 2.5820 2.9552 2.9552 3.0235 3.0235 3.2048 3.2048 3.5222 3.5222 3.6273 3.6273 3.9098 3.9098 3.9687 3.9687 4.6080 4.6080 4.8162 4.8162 5.0391 5.0391 5.8855 5.8855 6.0003 6.0003 9.2255 9.2255 9.7342 9.7342 10.1118 10.1118 10.7628 10.7628 11.1831 11.1831 k = 0.5499 0.1191-0.3410 ( 6247 PWs) bands (ev): -20.2778 -20.2778 -20.2758 -20.2758 -10.7873 -10.7873 -10.5241 -10.5241 -8.9923 -8.9923 -6.8485 -6.8485 -6.6740 -6.6740 -4.9602 -4.9602 -4.8023 -4.8023 -4.6962 -4.6962 -4.6250 -4.6250 1.7781 1.7781 2.5919 2.5919 2.9440 2.9440 3.0117 3.0117 3.2412 3.2412 3.5323 3.5323 3.6301 3.6301 3.8939 3.8939 3.9504 3.9504 4.5866 4.5866 4.8141 4.8141 5.0372 5.0372 5.8841 5.8841 5.9950 5.9950 9.2407 9.2407 9.6994 9.6994 10.0555 10.0555 10.7722 10.7722 11.1898 11.1898 k = 0.5461 0.1183-0.3098 ( 6241 PWs) bands (ev): -20.2802 -20.2802 -20.2782 -20.2782 -10.7775 -10.7775 -10.5136 -10.5136 -8.9960 -8.9960 -6.8444 -6.8444 -6.6760 -6.6760 -4.9526 -4.9526 -4.7938 -4.7938 -4.6954 -4.6954 -4.6309 -4.6309 1.7706 1.7706 2.6023 2.6023 2.9333 2.9333 3.0005 3.0005 3.2764 3.2764 3.5402 3.5402 3.6350 3.6350 3.8781 3.8781 3.9319 3.9319 4.5663 4.5663 4.8125 4.8125 5.0356 5.0356 5.8830 5.8830 5.9905 5.9905 9.2531 9.2531 9.6615 9.6615 10.0031 10.0031 10.7855 10.7855 11.1921 11.1921 k = 0.5423 0.1174-0.2786 ( 6242 PWs) bands (ev): -20.2825 -20.2825 -20.2804 -20.2804 -10.7682 -10.7682 -10.5038 -10.5038 -8.9993 -8.9993 -6.8401 -6.8401 -6.6784 -6.6784 -4.9447 -4.9447 -4.7855 -4.7855 -4.6948 -4.6948 -4.6373 -4.6373 1.7635 1.7635 2.6129 2.6129 2.9235 2.9235 2.9901 2.9901 3.3101 3.3101 3.5457 3.5457 3.6420 3.6420 3.8629 3.8629 3.9132 3.9132 4.5473 4.5473 4.8113 4.8113 5.0342 5.0342 5.8822 5.8822 5.9866 5.9866 9.2627 9.2627 9.6211 9.6211 9.9553 9.9553 10.8027 10.8027 11.1849 11.1849 k = 0.5384 0.1166-0.2475 ( 6235 PWs) bands (ev): -20.2846 -20.2846 -20.2825 -20.2825 -10.7595 -10.7595 -10.4947 -10.4947 -9.0023 -9.0023 -6.8356 -6.8356 -6.6812 -6.6812 -4.9366 -4.9366 -4.7776 -4.7776 -4.6945 -4.6945 -4.6441 -4.6441 1.7568 1.7568 2.6236 2.6236 2.9145 2.9145 2.9806 2.9806 3.3421 3.3421 3.5489 3.5489 3.6509 3.6509 3.8484 3.8484 3.8943 3.8943 4.5298 4.5298 4.8103 4.8103 5.0330 5.0330 5.8816 5.8816 5.9833 5.9833 9.2700 9.2700 9.5790 9.5790 9.9122 9.9122 10.8232 10.8232 11.1690 11.1690 k = 0.5346 0.1158-0.2163 ( 6239 PWs) bands (ev): -20.2865 -20.2865 -20.2844 -20.2844 -10.7515 -10.7515 -10.4863 -10.4863 -9.0050 -9.0050 -6.8309 -6.8309 -6.6844 -6.6844 -4.9284 -4.9284 -4.7700 -4.7700 -4.6944 -4.6944 -4.6513 -4.6513 1.7505 1.7505 2.6341 2.6341 2.9066 2.9066 2.9718 2.9718 3.3720 3.3720 3.5503 3.5503 3.6609 3.6609 3.8349 3.8349 3.8753 3.8753 4.5140 4.5140 4.8095 4.8095 5.0320 5.0320 5.8811 5.8811 5.9808 5.9808 9.2751 9.2751 9.5363 9.5363 9.8738 9.8738 10.8466 10.8466 11.1507 11.1507 k = 0.5307 0.1149-0.1851 ( 6231 PWs) bands (ev): -20.2883 -20.2883 -20.2862 -20.2862 -10.7443 -10.7443 -10.4787 -10.4787 -9.0074 -9.0074 -6.8262 -6.8262 -6.6879 -6.6879 -4.9202 -4.9202 -4.7628 -4.7628 -4.6945 -4.6945 -4.6586 -4.6586 1.7448 1.7448 2.6443 2.6443 2.8997 2.8997 2.9640 2.9640 3.3997 3.3997 3.5504 3.5504 3.6714 3.6714 3.8226 3.8226 3.8566 3.8566 4.4999 4.4999 4.8088 4.8088 5.0312 5.0312 5.8807 5.8807 5.9789 5.9789 9.2785 9.2785 9.4945 9.4945 9.8398 9.8398 10.8722 10.8722 11.1324 11.1324 k = 0.5269 0.1141-0.1539 ( 6249 PWs) bands (ev): -20.2899 -20.2899 -20.2878 -20.2878 -10.7378 -10.7378 -10.4720 -10.4720 -9.0095 -9.0095 -6.8215 -6.8215 -6.6915 -6.6915 -4.9122 -4.9122 -4.7560 -4.7560 -4.6949 -4.6949 -4.6660 -4.6660 1.7397 1.7397 2.6538 2.6538 2.8939 2.8939 2.9571 2.9571 3.4252 3.4252 3.5497 3.5497 3.6813 3.6813 3.8117 3.8117 3.8386 3.8386 4.4876 4.4876 4.8082 4.8082 5.0304 5.0304 5.8804 5.8804 5.9775 5.9775 9.2805 9.2805 9.4546 9.4546 9.8100 9.8100 10.8993 10.8993 11.1151 11.1151 k = 0.5231 0.1133-0.1227 ( 6239 PWs) bands (ev): -20.2913 -20.2913 -20.2891 -20.2891 -10.7320 -10.7320 -10.4660 -10.4660 -9.0113 -9.0113 -6.8169 -6.8169 -6.6952 -6.6952 -4.9045 -4.9045 -4.7495 -4.7495 -4.6955 -4.6955 -4.6734 -4.6734 1.7352 1.7352 2.6624 2.6624 2.8892 2.8892 2.9511 2.9511 3.4483 3.4483 3.5485 3.5485 3.6902 3.6902 3.8020 3.8020 3.8220 3.8220 4.4770 4.4770 4.8078 4.8078 5.0298 5.0298 5.8801 5.8801 5.9767 5.9767 9.2815 9.2815 9.4178 9.4178 9.7842 9.7842 10.9272 10.9272 11.0994 11.0994 k = 0.5192 0.1125-0.0915 ( 6233 PWs) bands (ev): -20.2925 -20.2925 -20.2903 -20.2903 -10.7271 -10.7271 -10.4610 -10.4610 -9.0128 -9.0128 -6.8125 -6.8125 -6.6988 -6.6988 -4.8973 -4.8973 -4.7435 -4.7435 -4.6963 -4.6963 -4.6805 -4.6805 1.7313 1.7313 2.6700 2.6700 2.8855 2.8855 2.9461 2.9461 3.4690 3.4690 3.5470 3.5470 3.6973 3.6973 3.7927 3.7927 3.8082 3.8082 4.4682 4.4682 4.8075 4.8075 5.0294 5.0294 5.8798 5.8798 5.9762 5.9762 9.2819 9.2819 9.3851 9.3851 9.7622 9.7622 10.9550 10.9550 11.0857 11.0857 k = 0.5154 0.1116-0.0603 ( 6238 PWs) bands (ev): -20.2934 -20.2934 -20.2913 -20.2913 -10.7231 -10.7231 -10.4568 -10.4568 -9.0140 -9.0140 -6.8085 -6.8085 -6.7021 -6.7021 -4.8909 -4.8909 -4.7380 -4.7380 -4.6972 -4.6972 -4.6872 -4.6872 1.7281 1.7281 2.6763 2.6763 2.8827 2.8827 2.9420 2.9420 3.4870 3.4870 3.5453 3.5453 3.7022 3.7022 3.7825 3.7825 3.7993 3.7993 4.4610 4.4610 4.8071 4.8071 5.0290 5.0290 5.8795 5.8795 5.9760 5.9760 9.2819 9.2819 9.3573 9.3573 9.7442 9.7442 10.9819 10.9819 11.0742 11.0742 k = 0.5115 0.1108-0.0291 ( 6244 PWs) bands (ev): -20.2942 -20.2942 -20.2920 -20.2920 -10.7199 -10.7199 -10.4535 -10.4535 -9.0149 -9.0149 -6.8051 -6.8051 -6.7050 -6.7050 -4.8855 -4.8855 -4.7330 -4.7330 -4.6982 -4.6982 -4.6932 -4.6932 1.7255 1.7255 2.6813 2.6813 2.8807 2.8807 2.9388 2.9388 3.5023 3.5023 3.5434 3.5434 3.7050 3.7050 3.7723 3.7723 3.7948 3.7948 4.4555 4.4555 4.8069 4.8069 5.0287 5.0287 5.8793 5.8793 5.9760 5.9760 9.2817 9.2817 9.3350 9.3350 9.7301 9.7301 11.0071 11.0071 11.0652 11.0652 k = 0.5077 0.1100 0.0021 ( 6242 PWs) bands (ev): -20.2948 -20.2948 -20.2926 -20.2926 -10.7176 -10.7176 -10.4512 -10.4512 -9.0156 -9.0156 -6.8025 -6.8025 -6.7073 -6.7073 -4.8814 -4.8814 -4.7288 -4.7288 -4.6997 -4.6997 -4.6976 -4.6976 1.7237 1.7237 2.6850 2.6850 2.8794 2.8794 2.9366 2.9366 3.5145 3.5145 3.5414 3.5414 3.7060 3.7060 3.7640 3.7640 3.7927 3.7927 4.4516 4.4516 4.8068 4.8068 5.0285 5.0285 5.8791 5.8791 5.9760 5.9760 9.2815 9.2815 9.3187 9.3187 9.7199 9.7199 11.0288 11.0288 11.0591 11.0591 k = 0.5038 0.1091 0.0333 ( 6245 PWs) bands (ev): -20.2951 -20.2951 -20.2929 -20.2929 -10.7163 -10.7163 -10.4498 -10.4498 -9.0160 -9.0160 -6.8008 -6.8008 -6.7088 -6.7088 -4.8788 -4.8788 -4.7256 -4.7256 -4.7028 -4.7028 -4.6989 -4.6989 1.7226 1.7226 2.6871 2.6871 2.8787 2.8787 2.9353 2.9353 3.5231 3.5231 3.5391 3.5391 3.7060 3.7060 3.7589 3.7589 3.7920 3.7920 4.4492 4.4492 4.8067 4.8067 5.0284 5.0284 5.8790 5.8790 5.9761 5.9761 9.2814 9.2814 9.3088 9.3088 9.7138 9.7138 11.0435 11.0435 11.0572 11.0572 k = 0.5000 0.1083 0.0645 ( 6252 PWs) bands (ev): -20.2952 -20.2952 -20.2930 -20.2930 -10.7158 -10.7158 -10.4493 -10.4493 -9.0161 -9.0161 -6.8002 -6.8002 -6.7093 -6.7093 -4.8779 -4.8779 -4.7243 -4.7243 -4.7041 -4.7041 -4.6992 -4.6992 1.7222 1.7222 2.6878 2.6878 2.8785 2.8785 2.9348 2.9348 3.5267 3.5267 3.5377 3.5377 3.7059 3.7059 3.7571 3.7571 3.7918 3.7918 4.4484 4.4484 4.8066 4.8066 5.0283 5.0283 5.8790 5.8790 5.9761 5.9761 9.2813 9.2813 9.3054 9.3054 9.7118 9.7118 11.0471 11.0471 11.0589 11.0589 k = 0.5000-1.1002-0.6551 ( 6272 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0558 -11.0558 -10.8247 -10.8247 -8.8499 -8.8499 -6.8414 -6.8414 -6.7721 -6.7721 -5.0304 -5.0304 -4.9847 -4.9847 -4.7838 -4.7838 -4.6178 -4.6178 1.8522 1.8522 2.3583 2.3583 2.8268 2.8268 3.1206 3.1206 3.2868 3.2868 3.4295 3.4295 3.5387 3.5387 4.1612 4.1612 4.3108 4.3108 4.7637 4.7637 5.0629 5.0629 5.4142 5.4142 6.0873 6.0873 6.2279 6.2279 8.5735 8.5735 9.6879 9.6879 10.4911 10.4911 10.5713 10.5713 11.0233 11.0233 k = 0.5293-1.0903-0.6492 ( 6274 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0558 -11.0558 -10.8247 -10.8247 -8.8500 -8.8500 -6.8413 -6.8413 -6.7722 -6.7722 -5.0305 -5.0305 -4.9846 -4.9846 -4.7835 -4.7835 -4.6181 -4.6181 1.8528 1.8528 2.3574 2.3574 2.8264 2.8264 3.1212 3.1212 3.2853 3.2853 3.4318 3.4318 3.5375 3.5375 4.1615 4.1615 4.3117 4.3117 4.7637 4.7637 5.0629 5.0629 5.4140 5.4140 6.0871 6.0871 6.2278 6.2278 8.5745 8.5745 9.6876 9.6876 10.4911 10.4911 10.5729 10.5729 11.0205 11.0205 k = 0.5587-1.0805-0.6433 ( 6272 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0559 -11.0559 -10.8245 -10.8245 -8.8500 -8.8500 -6.8410 -6.8410 -6.7724 -6.7724 -5.0305 -5.0305 -4.9845 -4.9845 -4.7827 -4.7827 -4.6189 -4.6189 1.8544 1.8544 2.3549 2.3549 2.8252 2.8252 3.1231 3.1231 3.2812 3.2812 3.4380 3.4380 3.5340 3.5340 4.1623 4.1623 4.3143 4.3143 4.7635 4.7635 5.0628 5.0628 5.4134 5.4134 6.0863 6.0863 6.2272 6.2272 8.5774 8.5774 9.6865 9.6865 10.4910 10.4910 10.5776 10.5776 11.0122 11.0122 k = 0.5880-1.0706-0.6375 ( 6272 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0560 -11.0560 -10.8243 -10.8243 -8.8502 -8.8502 -6.8406 -6.8406 -6.7727 -6.7727 -5.0306 -5.0306 -4.9844 -4.9844 -4.7813 -4.7813 -4.6204 -4.6204 1.8571 1.8571 2.3506 2.3506 2.8233 2.8233 3.1263 3.1263 3.2754 3.2754 3.4469 3.4469 3.5288 3.5288 4.1636 4.1636 4.3185 4.3185 4.7633 4.7633 5.0627 5.0627 5.4125 5.4125 6.0850 6.0850 6.2264 6.2264 8.5821 8.5821 9.6847 9.6847 10.4910 10.4910 10.5855 10.5855 10.9988 10.9988 k = 0.6174-1.0608-0.6316 ( 6273 PWs) bands (ev): -20.2088 -20.2088 -20.2082 -20.2082 -11.0562 -11.0562 -10.8239 -10.8239 -8.8504 -8.8504 -6.8400 -6.8400 -6.7732 -6.7732 -5.0308 -5.0308 -4.9841 -4.9841 -4.7794 -4.7794 -4.6224 -4.6224 1.8608 1.8608 2.3448 2.3448 2.8209 2.8209 3.1307 3.1307 3.2687 3.2687 3.4563 3.4563 3.5231 3.5231 4.1653 4.1653 4.3241 4.3241 4.7630 4.7630 5.0625 5.0625 5.4112 5.4112 6.0833 6.0833 6.2252 6.2252 8.5886 8.5886 9.6823 9.6823 10.4909 10.4909 10.5962 10.5962 10.9810 10.9810 k = 0.6467-1.0509-0.6257 ( 6271 PWs) bands (ev): -20.2089 -20.2089 -20.2082 -20.2082 -11.0564 -11.0564 -10.8235 -10.8235 -8.8506 -8.8506 -6.8392 -6.8392 -6.7738 -6.7738 -5.0310 -5.0310 -4.9839 -4.9839 -4.7770 -4.7770 -4.6248 -4.6248 1.8654 1.8654 2.3375 2.3375 2.8180 2.8180 3.1363 3.1363 3.2618 3.2618 3.4626 3.4626 3.5197 3.5197 4.1674 4.1674 4.3308 4.3308 4.7627 4.7627 5.0623 5.0623 5.4097 5.4097 6.0812 6.0812 6.2238 6.2238 8.5966 8.5966 9.6794 9.6794 10.4908 10.4908 10.6098 10.6098 10.9594 10.9594 k = 0.6760-1.0411-0.6199 ( 6277 PWs) bands (ev): -20.2089 -20.2089 -20.2082 -20.2082 -11.0566 -11.0566 -10.8230 -10.8230 -8.8509 -8.8509 -6.8383 -6.8383 -6.7745 -6.7745 -5.0312 -5.0312 -4.9835 -4.9835 -4.7741 -4.7741 -4.6278 -4.6278 1.8709 1.8709 2.3290 2.3290 2.8149 2.8149 3.1431 3.1431 3.2552 3.2552 3.4616 3.4616 3.5225 3.5225 4.1697 4.1697 4.3383 4.3383 4.7622 4.7622 5.0621 5.0621 5.4079 5.4079 6.0788 6.0788 6.2222 6.2222 8.6058 8.6058 9.6762 9.6762 10.4907 10.4907 10.6261 10.6261 10.9351 10.9351 k = 0.7054-1.0313-0.6140 ( 6282 PWs) bands (ev): -20.2089 -20.2089 -20.2082 -20.2082 -11.0568 -11.0568 -10.8225 -10.8225 -8.8512 -8.8512 -6.8374 -6.8374 -6.7753 -6.7753 -5.0314 -5.0314 -4.9832 -4.9832 -4.7709 -4.7709 -4.6312 -4.6312 1.8770 1.8770 2.3195 2.3195 2.8117 2.8117 3.1511 3.1511 3.2491 3.2491 3.4529 3.4529 3.5316 3.5316 4.1722 4.1722 4.3462 4.3462 4.7618 4.7618 5.0619 5.0619 5.4059 5.4059 6.0762 6.0762 6.2205 6.2205 8.6161 8.6161 9.6727 9.6727 10.4904 10.4904 10.6447 10.6447 10.9089 10.9089 k = 0.7347-1.0214-0.6082 ( 6284 PWs) bands (ev): -20.2089 -20.2089 -20.2082 -20.2082 -11.0571 -11.0571 -10.8219 -10.8219 -8.8516 -8.8516 -6.8363 -6.8363 -6.7762 -6.7762 -5.0317 -5.0317 -4.9828 -4.9828 -4.7673 -4.7673 -4.6348 -4.6348 1.8837 1.8837 2.3093 2.3093 2.8087 2.8087 3.1599 3.1599 3.2440 3.2440 3.4395 3.4395 3.5437 3.5437 4.1748 4.1748 4.3543 4.3543 4.7613 4.7613 5.0616 5.0616 5.4038 5.4038 6.0735 6.0735 6.2187 6.2187 8.6272 8.6272 9.6692 9.6692 10.4901 10.4901 10.6655 10.6655 10.8819 10.8819 k = 0.7641-1.0116-0.6023 ( 6284 PWs) bands (ev): -20.2090 -20.2090 -20.2083 -20.2083 -11.0573 -11.0573 -10.8213 -10.8213 -8.8519 -8.8519 -6.8353 -6.8353 -6.7770 -6.7770 -5.0319 -5.0319 -4.9824 -4.9824 -4.7635 -4.7635 -4.6387 -4.6387 1.8907 1.8907 2.2986 2.2986 2.8058 2.8058 3.1695 3.1695 3.2398 3.2398 3.4236 3.4236 3.5567 3.5567 4.1773 4.1773 4.3621 4.3621 4.7609 4.7609 5.0613 5.0613 5.4016 5.4016 6.0708 6.0708 6.2170 6.2170 8.6386 8.6386 9.6658 9.6658 10.4897 10.4897 10.6879 10.6879 10.8550 10.8550 k = 0.7934-1.0017-0.5964 ( 6288 PWs) bands (ev): -20.2090 -20.2090 -20.2083 -20.2083 -11.0575 -11.0575 -10.8208 -10.8208 -8.8523 -8.8523 -6.8342 -6.8342 -6.7778 -6.7778 -5.0322 -5.0322 -4.9820 -4.9820 -4.7595 -4.7595 -4.6428 -4.6428 1.8978 1.8978 2.2880 2.2880 2.8032 2.8032 3.1794 3.1794 3.2370 3.2370 3.4065 3.4065 3.5692 3.5692 4.1798 4.1798 4.3694 4.3694 4.7604 4.7604 5.0610 5.0610 5.3994 5.3994 6.0683 6.0683 6.2153 6.2153 8.6499 8.6499 9.6627 9.6627 10.4891 10.4891 10.7115 10.7115 10.8293 10.8293 k = 0.8227-0.9919-0.5906 ( 6302 PWs) bands (ev): -20.2091 -20.2091 -20.2083 -20.2083 -11.0577 -11.0577 -10.8202 -10.8202 -8.8526 -8.8526 -6.8332 -6.8332 -6.7786 -6.7786 -5.0324 -5.0324 -4.9815 -4.9815 -4.7556 -4.7556 -4.6468 -4.6468 1.9047 1.9047 2.2778 2.2778 2.8009 2.8009 3.1889 3.1889 3.2359 3.2359 3.3889 3.3889 3.5807 3.5807 4.1820 4.1820 4.3759 4.3759 4.7600 4.7600 5.0608 5.0608 5.3972 5.3972 6.0660 6.0660 6.2137 6.2137 8.6609 8.6609 9.6600 9.6600 10.4884 10.4884 10.7351 10.7351 10.8061 10.8061 Writing output data file Ba2CuBrO2.save init_run : 0.76s CPU 0.97s WALL ( 1 calls) electrons : 655.64s CPU 659.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 655.64s CPU 659.07s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 277 calls) cegterg : 611.41s CPU 614.24s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 539.89s CPU 542.03s WALL ( 9308 calls) s_psi : 7.93s CPU 7.72s WALL ( 9308 calls) g_psi : 0.41s CPU 0.42s WALL ( 8475 calls) cdiaghg : 72.34s CPU 72.81s WALL ( 8752 calls) cegterg:over : 11.63s CPU 11.65s WALL ( 8475 calls) cegterg:upda : 11.25s CPU 11.58s WALL ( 8475 calls) cegterg:last : 5.44s CPU 5.36s WALL ( 1387 calls) cdiaghg:chol : 4.30s CPU 4.27s WALL ( 8752 calls) cdiaghg:inve : 2.73s CPU 2.72s WALL ( 8752 calls) cdiaghg:para : 4.92s CPU 4.76s WALL ( 17504 calls) Called by h_psi: h_psi:vloc : 520.91s CPU 523.13s WALL ( 9308 calls) h_psi:vnl : 18.42s CPU 18.41s WALL ( 9308 calls) add_vuspsi : 8.65s CPU 8.78s WALL ( 9308 calls) General routines calbec : 9.74s CPU 9.61s WALL ( 9308 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 474.51s CPU 476.49s WALL ( 920920 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 0.29s WALL ( 554 calls) Parallel routines fft_scatter : 76.88s CPU 76.70s WALL ( 920943 calls) PWSCF : 11m16.32s CPU 11m37.63s WALL This run was terminated on: 14:36:55 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=