Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:45:16 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Cu3TeS3Cl.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 band group 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 55 43 12 1873 1274 195 Max 56 44 13 1879 1290 200 Sum 2015 1563 437 67581 46223 7059 bravais-lattice index = 14 lattice parameter (alat) = 10.3645 a.u. unit-cell volume = 1097.8793 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.364510 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.099376 celldm(5)= 0.099376 celldm(6)= 0.099376 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.099376 0.995050 0.000000 ) a(3) = ( 0.099376 0.089945 0.990976 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.099870 -0.091216 ) b(2) = ( 0.000000 1.004975 -0.091216 ) b(3) = ( 0.000000 0.000000 1.009106 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 S 6.00 32.06500 S( 1.00) Cl 7.00 35.45300 Cl( 1.00) Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0172414 -0.0017219 -0.0015727), wk = 0.0041841 k( 3) = ( 0.0344828 -0.0034438 -0.0031454), wk = 0.0041841 k( 4) = ( 0.0517241 -0.0051657 -0.0047181), wk = 0.0041841 k( 5) = ( 0.0689655 -0.0068876 -0.0062907), wk = 0.0041841 k( 6) = ( 0.0862069 -0.0086095 -0.0078634), wk = 0.0041841 k( 7) = ( 0.1034483 -0.0103314 -0.0094361), wk = 0.0041841 k( 8) = ( 0.1206897 -0.0120533 -0.0110088), wk = 0.0041841 k( 9) = ( 0.1379310 -0.0137752 -0.0125815), wk = 0.0041841 k( 10) = ( 0.1551724 -0.0154971 -0.0141542), wk = 0.0041841 k( 11) = ( 0.1724138 -0.0172190 -0.0157269), wk = 0.0041841 k( 12) = ( 0.1896552 -0.0189408 -0.0172996), wk = 0.0041841 k( 13) = ( 0.2068966 -0.0206627 -0.0188722), wk = 0.0041841 k( 14) = ( 0.2241379 -0.0223846 -0.0204449), wk = 0.0041841 k( 15) = ( 0.2413793 -0.0241065 -0.0220176), wk = 0.0041841 k( 16) = ( 0.2586207 -0.0258284 -0.0235903), wk = 0.0041841 k( 17) = ( 0.2758621 -0.0275503 -0.0251630), wk = 0.0041841 k( 18) = ( 0.2931034 -0.0292722 -0.0267357), wk = 0.0041841 k( 19) = ( 0.3103448 -0.0309941 -0.0283084), wk = 0.0041841 k( 20) = ( 0.3275862 -0.0327160 -0.0298810), wk = 0.0041841 k( 21) = ( 0.3448276 -0.0344379 -0.0314537), wk = 0.0041841 k( 22) = ( 0.3620690 -0.0361598 -0.0330264), wk = 0.0041841 k( 23) = ( 0.3793103 -0.0378817 -0.0345991), wk = 0.0041841 k( 24) = ( 0.3965517 -0.0396036 -0.0361718), wk = 0.0041841 k( 25) = ( 0.4137931 -0.0413255 -0.0377445), wk = 0.0041841 k( 26) = ( 0.4310345 -0.0430474 -0.0393172), wk = 0.0041841 k( 27) = ( 0.4482759 -0.0447693 -0.0408899), wk = 0.0041841 k( 28) = ( 0.4655172 -0.0464912 -0.0424625), wk = 0.0041841 k( 29) = ( 0.4827586 -0.0482131 -0.0440352), wk = 0.0041841 k( 30) = ( 0.5000000 -0.0499350 -0.0456079), wk = 0.0041841 k( 31) = ( 0.5000000 -0.0499350 -0.0456079), wk = 0.0041841 k( 32) = ( 0.5000000 -0.0382912 -0.0583564), wk = 0.0041841 k( 33) = ( 0.5000000 -0.0266474 -0.0711048), wk = 0.0041841 k( 34) = ( 0.5000000 -0.0150036 -0.0838533), wk = 0.0041841 k( 35) = ( 0.5000000 -0.0033599 -0.0966018), wk = 0.0041841 k( 36) = ( 0.5000000 0.0082839 -0.1093503), wk = 0.0041841 k( 37) = ( 0.5000000 0.0199277 -0.1220987), wk = 0.0041841 k( 38) = ( 0.5000000 0.0315714 -0.1348472), wk = 0.0041841 k( 39) = ( 0.5000000 0.0432152 -0.1475957), wk = 0.0041841 k( 40) = ( 0.5000000 0.0548590 -0.1603441), wk = 0.0041841 k( 41) = ( 0.5000000 0.0665027 -0.1730926), wk = 0.0041841 k( 42) = ( 0.5000000 0.0781465 -0.1858411), wk = 0.0041841 k( 43) = ( 0.5000000 0.0897903 -0.1985896), wk = 0.0041841 k( 44) = ( 0.5000000 0.1014340 -0.2113380), wk = 0.0041841 k( 45) = ( 0.5000000 0.1130778 -0.2240865), wk = 0.0041841 k( 46) = ( 0.5000000 0.1247216 -0.2368350), wk = 0.0041841 k( 47) = ( 0.5000000 0.1363653 -0.2495834), wk = 0.0041841 k( 48) = ( 0.5000000 0.1480091 -0.2623319), wk = 0.0041841 k( 49) = ( 0.5000000 0.1596529 -0.2750804), wk = 0.0041841 k( 50) = ( 0.5000000 0.1712966 -0.2878289), wk = 0.0041841 k( 51) = ( 0.5000000 0.1829404 -0.3005773), wk = 0.0041841 k( 52) = ( 0.5000000 0.1945842 -0.3133258), wk = 0.0041841 k( 53) = ( 0.5000000 0.2062280 -0.3260743), wk = 0.0041841 k( 54) = ( 0.5000000 0.2178717 -0.3388227), wk = 0.0041841 k( 55) = ( 0.5000000 0.2295155 -0.3515712), wk = 0.0041841 k( 56) = ( 0.5000000 0.2411593 -0.3643197), wk = 0.0041841 k( 57) = ( 0.5000000 0.2528030 -0.3770682), wk = 0.0041841 k( 58) = ( 0.5000000 0.2644468 -0.3898166), wk = 0.0041841 k( 59) = ( 0.5000000 0.2760906 -0.4025651), wk = 0.0041841 k( 60) = ( 0.5000000 0.2877343 -0.4153136), wk = 0.0041841 k( 61) = ( 0.5000000 0.2993781 -0.4280620), wk = 0.0041841 k( 62) = ( 0.5000000 0.3110219 -0.4408105), wk = 0.0041841 k( 63) = ( 0.5000000 0.3226656 -0.4535590), wk = 0.0041841 k( 64) = ( 0.5000000 0.3343094 -0.4663074), wk = 0.0041841 k( 65) = ( 0.5000000 0.3459532 -0.4790559), wk = 0.0041841 k( 66) = ( 0.5000000 0.3575969 -0.4918044), wk = 0.0041841 k( 67) = ( 0.5000000 0.3692407 -0.5045529), wk = 0.0041841 k( 68) = ( 0.5828992 0.4442732 0.3221212), wk = 0.0041841 k( 69) = ( 0.5725368 0.4453081 0.3335232), wk = 0.0041841 k( 70) = ( 0.5621744 0.4463430 0.3449252), wk = 0.0041841 k( 71) = ( 0.5518120 0.4473779 0.3563271), wk = 0.0041841 k( 72) = ( 0.5414496 0.4484128 0.3677291), wk = 0.0041841 k( 73) = ( 0.5310872 0.4494477 0.3791311), wk = 0.0041841 k( 74) = ( 0.5207248 0.4504826 0.3905331), wk = 0.0041841 k( 75) = ( 0.5103624 0.4515175 0.4019350), wk = 0.0041841 k( 76) = ( 0.5000000 0.4525524 0.4133370), wk = 0.0041841 k( 77) = ( 0.5000000 0.4525524 0.4133370), wk = 0.0041841 k( 78) = ( 0.4891304 0.4427143 0.4043514), wk = 0.0041841 k( 79) = ( 0.4782609 0.4328762 0.3953659), wk = 0.0041841 k( 80) = ( 0.4673913 0.4230381 0.3863803), wk = 0.0041841 k( 81) = ( 0.4565217 0.4132000 0.3773947), wk = 0.0041841 k( 82) = ( 0.4456522 0.4033619 0.3684091), wk = 0.0041841 k( 83) = ( 0.4347826 0.3935238 0.3594235), wk = 0.0041841 k( 84) = ( 0.4239130 0.3836857 0.3504379), wk = 0.0041841 k( 85) = ( 0.4130435 0.3738476 0.3414523), wk = 0.0041841 k( 86) = ( 0.4021739 0.3640095 0.3324667), wk = 0.0041841 k( 87) = ( 0.3913044 0.3541714 0.3234812), wk = 0.0041841 k( 88) = ( 0.3804348 0.3443333 0.3144956), wk = 0.0041841 k( 89) = ( 0.3695652 0.3344952 0.3055100), wk = 0.0041841 k( 90) = ( 0.3586956 0.3246571 0.2965244), wk = 0.0041841 k( 91) = ( 0.3478261 0.3148190 0.2875388), wk = 0.0041841 k( 92) = ( 0.3369565 0.3049809 0.2785532), wk = 0.0041841 k( 93) = ( 0.3260870 0.2951428 0.2695676), wk = 0.0041841 k( 94) = ( 0.3152174 0.2853047 0.2605820), wk = 0.0041841 k( 95) = ( 0.3043478 0.2754667 0.2515965), wk = 0.0041841 k( 96) = ( 0.2934783 0.2656286 0.2426109), wk = 0.0041841 k( 97) = ( 0.2826087 0.2557905 0.2336253), wk = 0.0041841 k( 98) = ( 0.2717391 0.2459524 0.2246397), wk = 0.0041841 k( 99) = ( 0.2608696 0.2361143 0.2156541), wk = 0.0041841 k( 100) = ( 0.2500000 0.2262762 0.2066685), wk = 0.0041841 k( 101) = ( 0.2391304 0.2164381 0.1976829), wk = 0.0041841 k( 102) = ( 0.2282609 0.2066000 0.1886973), wk = 0.0041841 k( 103) = ( 0.2173913 0.1967619 0.1797117), wk = 0.0041841 k( 104) = ( 0.2065217 0.1869238 0.1707262), wk = 0.0041841 k( 105) = ( 0.1956522 0.1770857 0.1617406), wk = 0.0041841 k( 106) = ( 0.1847826 0.1672476 0.1527550), wk = 0.0041841 k( 107) = ( 0.1739130 0.1574095 0.1437694), wk = 0.0041841 k( 108) = ( 0.1630435 0.1475714 0.1347838), wk = 0.0041841 k( 109) = ( 0.1521739 0.1377333 0.1257982), wk = 0.0041841 k( 110) = ( 0.1413043 0.1278952 0.1168126), wk = 0.0041841 k( 111) = ( 0.1304348 0.1180571 0.1078270), wk = 0.0041841 k( 112) = ( 0.1195652 0.1082190 0.0988415), wk = 0.0041841 k( 113) = ( 0.1086957 0.0983809 0.0898559), wk = 0.0041841 k( 114) = ( 0.0978261 0.0885429 0.0808703), wk = 0.0041841 k( 115) = ( 0.0869565 0.0787048 0.0718847), wk = 0.0041841 k( 116) = ( 0.0760870 0.0688667 0.0628991), wk = 0.0041841 k( 117) = ( 0.0652174 0.0590286 0.0539135), wk = 0.0041841 k( 118) = ( 0.0543478 0.0491905 0.0449279), wk = 0.0041841 k( 119) = ( 0.0434783 0.0393524 0.0359423), wk = 0.0041841 k( 120) = ( 0.0326087 0.0295143 0.0269568), wk = 0.0041841 k( 121) = ( 0.0217391 0.0196762 0.0179712), wk = 0.0041841 k( 122) = ( 0.0108696 0.0098381 0.0089856), wk = 0.0041841 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 125) = ( 0.0114638 -0.0011449 -0.0126138), wk = 0.0041841 k( 126) = ( 0.0229275 -0.0022898 -0.0252276), wk = 0.0041841 k( 127) = ( 0.0343913 -0.0034347 -0.0378415), wk = 0.0041841 k( 128) = ( 0.0458550 -0.0045795 -0.0504553), wk = 0.0041841 k( 129) = ( 0.0573188 -0.0057244 -0.0630691), wk = 0.0041841 k( 130) = ( 0.0687826 -0.0068693 -0.0756829), wk = 0.0041841 k( 131) = ( 0.0802463 -0.0080142 -0.0882968), wk = 0.0041841 k( 132) = ( 0.0917101 -0.0091591 -0.1009106), wk = 0.0041841 k( 133) = ( 0.1031738 -0.0103040 -0.1135244), wk = 0.0041841 k( 134) = ( 0.1146376 -0.0114488 -0.1261382), wk = 0.0041841 k( 135) = ( 0.1261014 -0.0125937 -0.1387520), wk = 0.0041841 k( 136) = ( 0.1375651 -0.0137386 -0.1513659), wk = 0.0041841 k( 137) = ( 0.1490289 -0.0148835 -0.1639797), wk = 0.0041841 k( 138) = ( 0.1604926 -0.0160284 -0.1765935), wk = 0.0041841 k( 139) = ( 0.1719564 -0.0171733 -0.1892073), wk = 0.0041841 k( 140) = ( 0.1834202 -0.0183182 -0.2018211), wk = 0.0041841 k( 141) = ( 0.1948839 -0.0194630 -0.2144350), wk = 0.0041841 k( 142) = ( 0.2063477 -0.0206079 -0.2270488), wk = 0.0041841 k( 143) = ( 0.2178114 -0.0217528 -0.2396626), wk = 0.0041841 k( 144) = ( 0.2292752 -0.0228977 -0.2522764), wk = 0.0041841 k( 145) = ( 0.2407390 -0.0240426 -0.2648902), wk = 0.0041841 k( 146) = ( 0.2522027 -0.0251875 -0.2775041), wk = 0.0041841 k( 147) = ( 0.2636665 -0.0263323 -0.2901179), wk = 0.0041841 k( 148) = ( 0.2751302 -0.0274772 -0.3027317), wk = 0.0041841 k( 149) = ( 0.2865940 -0.0286221 -0.3153455), wk = 0.0041841 k( 150) = ( 0.2980578 -0.0297670 -0.3279594), wk = 0.0041841 k( 151) = ( 0.3095215 -0.0309119 -0.3405732), wk = 0.0041841 k( 152) = ( 0.3209853 -0.0320568 -0.3531870), wk = 0.0041841 k( 153) = ( 0.3324490 -0.0332017 -0.3658008), wk = 0.0041841 k( 154) = ( 0.3439128 -0.0343465 -0.3784146), wk = 0.0041841 k( 155) = ( 0.3553765 -0.0354914 -0.3910285), wk = 0.0041841 k( 156) = ( 0.3668403 -0.0366363 -0.4036423), wk = 0.0041841 k( 157) = ( 0.3783041 -0.0377812 -0.4162561), wk = 0.0041841 k( 158) = ( 0.3897678 -0.0389261 -0.4288699), wk = 0.0041841 k( 159) = ( 0.4012316 -0.0400710 -0.4414837), wk = 0.0041841 k( 160) = ( 0.4126953 -0.0412158 -0.4540976), wk = 0.0041841 k( 161) = ( 0.4241591 -0.0423607 -0.4667114), wk = 0.0041841 k( 162) = ( 0.4356229 -0.0435056 -0.4793252), wk = 0.0041841 k( 163) = ( 0.4470866 -0.0446505 -0.4919390), wk = 0.0041841 k( 164) = ( 0.4585504 -0.0457954 -0.5045529), wk = 0.0041841 k( 165) = ( 0.5414496 0.4067570 -0.0912158), wk = 0.0041841 k( 166) = ( 0.5310872 0.4182058 -0.0912158), wk = 0.0041841 k( 167) = ( 0.5207248 0.4296547 -0.0912158), wk = 0.0041841 k( 168) = ( 0.5103624 0.4411035 -0.0912158), wk = 0.0041841 k( 169) = ( 0.5000000 0.4525524 -0.0912158), wk = 0.0041841 k( 170) = ( 0.5000000 0.4525524 -0.0912158), wk = 0.0041841 k( 171) = ( 0.5017271 0.4541155 -0.0739934), wk = 0.0041841 k( 172) = ( 0.5034541 0.4556787 -0.0567711), wk = 0.0041841 k( 173) = ( 0.5051812 0.4572419 -0.0395487), wk = 0.0041841 k( 174) = ( 0.5069083 0.4588051 -0.0223263), wk = 0.0041841 k( 175) = ( 0.5086353 0.4603682 -0.0051039), wk = 0.0041841 k( 176) = ( 0.5103624 0.4619314 0.0121184), wk = 0.0041841 k( 177) = ( 0.5120895 0.4634946 0.0293408), wk = 0.0041841 k( 178) = ( 0.5138165 0.4650578 0.0465632), wk = 0.0041841 k( 179) = ( 0.5155436 0.4666209 0.0637856), wk = 0.0041841 k( 180) = ( 0.5172707 0.4681841 0.0810079), wk = 0.0041841 k( 181) = ( 0.5189977 0.4697473 0.0982303), wk = 0.0041841 k( 182) = ( 0.5207248 0.4713105 0.1154527), wk = 0.0041841 k( 183) = ( 0.5224519 0.4728737 0.1326751), wk = 0.0041841 k( 184) = ( 0.5241790 0.4744368 0.1498974), wk = 0.0041841 k( 185) = ( 0.5259060 0.4760000 0.1671198), wk = 0.0041841 k( 186) = ( 0.5276331 0.4775632 0.1843422), wk = 0.0041841 k( 187) = ( 0.5293602 0.4791264 0.2015646), wk = 0.0041841 k( 188) = ( 0.5310872 0.4806895 0.2187870), wk = 0.0041841 k( 189) = ( 0.5328143 0.4822527 0.2360093), wk = 0.0041841 k( 190) = ( 0.5345414 0.4838159 0.2532317), wk = 0.0041841 k( 191) = ( 0.5362684 0.4853791 0.2704541), wk = 0.0041841 k( 192) = ( 0.5379955 0.4869423 0.2876765), wk = 0.0041841 k( 193) = ( 0.5397226 0.4885054 0.3048988), wk = 0.0041841 k( 194) = ( 0.5414496 0.4900686 0.3221212), wk = 0.0041841 k( 195) = ( 0.5414496 0.4900686 0.3221212), wk = 0.0041841 k( 196) = ( 0.5355283 0.4847091 0.3351520), wk = 0.0041841 k( 197) = ( 0.5296069 0.4793497 0.3481829), wk = 0.0041841 k( 198) = ( 0.5236855 0.4739902 0.3612137), wk = 0.0041841 k( 199) = ( 0.5177641 0.4686307 0.3742445), wk = 0.0041841 k( 200) = ( 0.5118428 0.4632713 0.3872754), wk = 0.0041841 k( 201) = ( 0.5059214 0.4579118 0.4003062), wk = 0.0041841 k( 202) = ( 0.5000000 0.4525524 0.4133370), wk = 0.0041841 k( 203) = ( 0.5000000 -0.0499350 -0.0456079), wk = 0.0041841 k( 204) = ( 0.5023028 -0.0373641 -0.0341263), wk = 0.0041841 k( 205) = ( 0.5046055 -0.0247932 -0.0226447), wk = 0.0041841 k( 206) = ( 0.5069083 -0.0122223 -0.0111632), wk = 0.0041841 k( 207) = ( 0.5092110 0.0003486 0.0003184), wk = 0.0041841 k( 208) = ( 0.5115138 0.0129195 0.0118000), wk = 0.0041841 k( 209) = ( 0.5138165 0.0254904 0.0232816), wk = 0.0041841 k( 210) = ( 0.5161193 0.0380613 0.0347632), wk = 0.0041841 k( 211) = ( 0.5184220 0.0506322 0.0462448), wk = 0.0041841 k( 212) = ( 0.5207248 0.0632031 0.0577263), wk = 0.0041841 k( 213) = ( 0.5230276 0.0757740 0.0692079), wk = 0.0041841 k( 214) = ( 0.5253303 0.0883449 0.0806895), wk = 0.0041841 k( 215) = ( 0.5276331 0.1009158 0.0921711), wk = 0.0041841 k( 216) = ( 0.5299358 0.1134867 0.1036527), wk = 0.0041841 k( 217) = ( 0.5322386 0.1260576 0.1151343), wk = 0.0041841 k( 218) = ( 0.5345414 0.1386285 0.1266159), wk = 0.0041841 k( 219) = ( 0.5368441 0.1511994 0.1380974), wk = 0.0041841 k( 220) = ( 0.5391469 0.1637703 0.1495790), wk = 0.0041841 k( 221) = ( 0.5414496 0.1763412 0.1610606), wk = 0.0041841 k( 222) = ( 0.5437524 0.1889121 0.1725422), wk = 0.0041841 k( 223) = ( 0.5460551 0.2014830 0.1840238), wk = 0.0041841 k( 224) = ( 0.5483579 0.2140539 0.1955054), wk = 0.0041841 k( 225) = ( 0.5506606 0.2266248 0.2069869), wk = 0.0041841 k( 226) = ( 0.5529634 0.2391957 0.2184685), wk = 0.0041841 k( 227) = ( 0.5552662 0.2517666 0.2299501), wk = 0.0041841 k( 228) = ( 0.5575689 0.2643375 0.2414317), wk = 0.0041841 k( 229) = ( 0.5598717 0.2769084 0.2529133), wk = 0.0041841 k( 230) = ( 0.5621744 0.2894793 0.2643949), wk = 0.0041841 k( 231) = ( 0.5644772 0.3020502 0.2758764), wk = 0.0041841 k( 232) = ( 0.5667800 0.3146211 0.2873580), wk = 0.0041841 k( 233) = ( 0.5690827 0.3271920 0.2988396), wk = 0.0041841 k( 234) = ( 0.5713855 0.3397629 0.3103212), wk = 0.0041841 k( 235) = ( 0.5736882 0.3523338 0.3218028), wk = 0.0041841 k( 236) = ( 0.5759910 0.3649047 0.3332844), wk = 0.0041841 k( 237) = ( 0.5782937 0.3774756 0.3447660), wk = 0.0041841 k( 238) = ( 0.5805965 0.3900465 0.3562475), wk = 0.0041841 k( 239) = ( 0.5828992 0.4026174 0.3677291), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0041841 k( 3) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0041841 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0041841 k( 5) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0041841 k( 6) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0041841 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0041841 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0041841 k( 9) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0041841 k( 10) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0041841 k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0041841 k( 12) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0041841 k( 13) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0041841 k( 14) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0041841 k( 15) = ( 0.2413793 0.0000000 -0.0000000), wk = 0.0041841 k( 16) = ( 0.2586207 -0.0000000 0.0000000), wk = 0.0041841 k( 17) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0041841 k( 18) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0041841 k( 19) = ( 0.3103448 -0.0000000 0.0000000), wk = 0.0041841 k( 20) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0041841 k( 21) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0041841 k( 22) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0041841 k( 23) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0041841 k( 24) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0041841 k( 25) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0041841 k( 26) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0041841 k( 27) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0041841 k( 28) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0041841 k( 29) = ( 0.4827586 0.0000000 -0.0000000), wk = 0.0041841 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041841 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041841 k( 32) = ( 0.5000000 0.0115861 -0.0115861), wk = 0.0041841 k( 33) = ( 0.5000000 0.0231723 -0.0231723), wk = 0.0041841 k( 34) = ( 0.5000000 0.0347584 -0.0347584), wk = 0.0041841 k( 35) = ( 0.5000000 0.0463445 -0.0463445), wk = 0.0041841 k( 36) = ( 0.5000000 0.0579307 -0.0579307), wk = 0.0041841 k( 37) = ( 0.5000000 0.0695168 -0.0695168), wk = 0.0041841 k( 38) = ( 0.5000000 0.0811029 -0.0811029), wk = 0.0041841 k( 39) = ( 0.5000000 0.0926891 -0.0926891), wk = 0.0041841 k( 40) = ( 0.5000000 0.1042752 -0.1042752), wk = 0.0041841 k( 41) = ( 0.5000000 0.1158613 -0.1158613), wk = 0.0041841 k( 42) = ( 0.5000000 0.1274474 -0.1274475), wk = 0.0041841 k( 43) = ( 0.5000000 0.1390336 -0.1390336), wk = 0.0041841 k( 44) = ( 0.5000000 0.1506197 -0.1506197), wk = 0.0041841 k( 45) = ( 0.5000000 0.1622059 -0.1622059), wk = 0.0041841 k( 46) = ( 0.5000000 0.1737920 -0.1737920), wk = 0.0041841 k( 47) = ( 0.5000000 0.1853781 -0.1853781), wk = 0.0041841 k( 48) = ( 0.5000000 0.1969643 -0.1969643), wk = 0.0041841 k( 49) = ( 0.5000000 0.2085504 -0.2085504), wk = 0.0041841 k( 50) = ( 0.5000000 0.2201365 -0.2201365), wk = 0.0041841 k( 51) = ( 0.5000000 0.2317226 -0.2317226), wk = 0.0041841 k( 52) = ( 0.5000000 0.2433088 -0.2433088), wk = 0.0041841 k( 53) = ( 0.5000000 0.2548949 -0.2548949), wk = 0.0041841 k( 54) = ( 0.5000000 0.2664810 -0.2664810), wk = 0.0041841 k( 55) = ( 0.5000000 0.2780672 -0.2780672), wk = 0.0041841 k( 56) = ( 0.5000000 0.2896533 -0.2896533), wk = 0.0041841 k( 57) = ( 0.5000000 0.3012394 -0.3012394), wk = 0.0041841 k( 58) = ( 0.5000000 0.3128256 -0.3128256), wk = 0.0041841 k( 59) = ( 0.5000000 0.3244117 -0.3244117), wk = 0.0041841 k( 60) = ( 0.5000000 0.3359978 -0.3359978), wk = 0.0041841 k( 61) = ( 0.5000000 0.3475840 -0.3475840), wk = 0.0041841 k( 62) = ( 0.5000000 0.3591701 -0.3591701), wk = 0.0041841 k( 63) = ( 0.5000000 0.3707562 -0.3707562), wk = 0.0041841 k( 64) = ( 0.5000000 0.3823424 -0.3823424), wk = 0.0041841 k( 65) = ( 0.5000000 0.3939285 -0.3939285), wk = 0.0041841 k( 66) = ( 0.5000000 0.4055146 -0.4055146), wk = 0.0041841 k( 67) = ( 0.5000000 0.4171008 -0.4171008), wk = 0.0041841 k( 68) = ( 0.5828992 0.5000000 0.4171008), wk = 0.0041841 k( 69) = ( 0.5725368 0.5000000 0.4274632), wk = 0.0041841 k( 70) = ( 0.5621744 0.5000000 0.4378256), wk = 0.0041841 k( 71) = ( 0.5518120 0.5000000 0.4481880), wk = 0.0041841 k( 72) = ( 0.5414496 0.5000000 0.4585504), wk = 0.0041841 k( 73) = ( 0.5310872 0.5000000 0.4689128), wk = 0.0041841 k( 74) = ( 0.5207248 0.5000000 0.4792752), wk = 0.0041841 k( 75) = ( 0.5103624 0.5000000 0.4896376), wk = 0.0041841 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 78) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0041841 k( 79) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0041841 k( 80) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0041841 k( 81) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0041841 k( 82) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0041841 k( 83) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0041841 k( 84) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0041841 k( 85) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0041841 k( 86) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0041841 k( 87) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0041841 k( 88) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0041841 k( 89) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0041841 k( 90) = ( 0.3586956 0.3586956 0.3586957), wk = 0.0041841 k( 91) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0041841 k( 92) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0041841 k( 93) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0041841 k( 94) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0041841 k( 95) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0041841 k( 96) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0041841 k( 97) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0041841 k( 98) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0041841 k( 99) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0041841 k( 100) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041841 k( 101) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0041841 k( 102) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0041841 k( 103) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0041841 k( 104) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0041841 k( 105) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0041841 k( 106) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0041841 k( 107) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0041841 k( 108) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0041841 k( 109) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0041841 k( 110) = ( 0.1413043 0.1413043 0.1413044), wk = 0.0041841 k( 111) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0041841 k( 112) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0041841 k( 113) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0041841 k( 114) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0041841 k( 115) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0041841 k( 116) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0041841 k( 117) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0041841 k( 118) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0041841 k( 119) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0041841 k( 120) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0041841 k( 121) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0041841 k( 122) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0041841 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 125) = ( 0.0114638 -0.0000000 -0.0114638), wk = 0.0041841 k( 126) = ( 0.0229275 -0.0000000 -0.0229275), wk = 0.0041841 k( 127) = ( 0.0343913 -0.0000000 -0.0343913), wk = 0.0041841 k( 128) = ( 0.0458550 -0.0000000 -0.0458550), wk = 0.0041841 k( 129) = ( 0.0573188 -0.0000000 -0.0573188), wk = 0.0041841 k( 130) = ( 0.0687826 -0.0000000 -0.0687826), wk = 0.0041841 k( 131) = ( 0.0802463 -0.0000000 -0.0802463), wk = 0.0041841 k( 132) = ( 0.0917101 -0.0000000 -0.0917101), wk = 0.0041841 k( 133) = ( 0.1031738 -0.0000000 -0.1031738), wk = 0.0041841 k( 134) = ( 0.1146376 -0.0000000 -0.1146376), wk = 0.0041841 k( 135) = ( 0.1261014 -0.0000000 -0.1261014), wk = 0.0041841 k( 136) = ( 0.1375651 0.0000000 -0.1375651), wk = 0.0041841 k( 137) = ( 0.1490289 -0.0000000 -0.1490289), wk = 0.0041841 k( 138) = ( 0.1604926 -0.0000000 -0.1604926), wk = 0.0041841 k( 139) = ( 0.1719564 0.0000000 -0.1719564), wk = 0.0041841 k( 140) = ( 0.1834202 0.0000000 -0.1834202), wk = 0.0041841 k( 141) = ( 0.1948839 -0.0000000 -0.1948839), wk = 0.0041841 k( 142) = ( 0.2063477 -0.0000000 -0.2063477), wk = 0.0041841 k( 143) = ( 0.2178114 -0.0000000 -0.2178114), wk = 0.0041841 k( 144) = ( 0.2292752 -0.0000000 -0.2292752), wk = 0.0041841 k( 145) = ( 0.2407390 -0.0000000 -0.2407390), wk = 0.0041841 k( 146) = ( 0.2522027 -0.0000000 -0.2522027), wk = 0.0041841 k( 147) = ( 0.2636665 0.0000000 -0.2636665), wk = 0.0041841 k( 148) = ( 0.2751302 0.0000000 -0.2751302), wk = 0.0041841 k( 149) = ( 0.2865940 -0.0000000 -0.2865940), wk = 0.0041841 k( 150) = ( 0.2980578 0.0000000 -0.2980578), wk = 0.0041841 k( 151) = ( 0.3095215 0.0000000 -0.3095215), wk = 0.0041841 k( 152) = ( 0.3209853 -0.0000000 -0.3209853), wk = 0.0041841 k( 153) = ( 0.3324490 -0.0000000 -0.3324490), wk = 0.0041841 k( 154) = ( 0.3439128 0.0000000 -0.3439128), wk = 0.0041841 k( 155) = ( 0.3553765 -0.0000000 -0.3553765), wk = 0.0041841 k( 156) = ( 0.3668403 0.0000000 -0.3668403), wk = 0.0041841 k( 157) = ( 0.3783041 0.0000000 -0.3783041), wk = 0.0041841 k( 158) = ( 0.3897678 -0.0000000 -0.3897678), wk = 0.0041841 k( 159) = ( 0.4012316 -0.0000000 -0.4012316), wk = 0.0041841 k( 160) = ( 0.4126953 -0.0000000 -0.4126953), wk = 0.0041841 k( 161) = ( 0.4241591 -0.0000000 -0.4241591), wk = 0.0041841 k( 162) = ( 0.4356229 -0.0000000 -0.4356229), wk = 0.0041841 k( 163) = ( 0.4470866 -0.0000000 -0.4470866), wk = 0.0041841 k( 164) = ( 0.4585504 -0.0000000 -0.4585504), wk = 0.0041841 k( 165) = ( 0.5414496 0.4585504 0.0000000), wk = 0.0041841 k( 166) = ( 0.5310872 0.4689128 0.0000000), wk = 0.0041841 k( 167) = ( 0.5207248 0.4792752 0.0000000), wk = 0.0041841 k( 168) = ( 0.5103624 0.4896376 -0.0000000), wk = 0.0041841 k( 169) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041841 k( 170) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041841 k( 171) = ( 0.5017271 0.5017271 0.0173792), wk = 0.0041841 k( 172) = ( 0.5034541 0.5034541 0.0347584), wk = 0.0041841 k( 173) = ( 0.5051812 0.5051812 0.0521376), wk = 0.0041841 k( 174) = ( 0.5069083 0.5069083 0.0695168), wk = 0.0041841 k( 175) = ( 0.5086353 0.5086353 0.0868960), wk = 0.0041841 k( 176) = ( 0.5103624 0.5103624 0.1042752), wk = 0.0041841 k( 177) = ( 0.5120895 0.5120895 0.1216544), wk = 0.0041841 k( 178) = ( 0.5138165 0.5138165 0.1390336), wk = 0.0041841 k( 179) = ( 0.5155436 0.5155436 0.1564128), wk = 0.0041841 k( 180) = ( 0.5172707 0.5172707 0.1737920), wk = 0.0041841 k( 181) = ( 0.5189977 0.5189977 0.1911712), wk = 0.0041841 k( 182) = ( 0.5207248 0.5207248 0.2085504), wk = 0.0041841 k( 183) = ( 0.5224519 0.5224519 0.2259296), wk = 0.0041841 k( 184) = ( 0.5241790 0.5241790 0.2433088), wk = 0.0041841 k( 185) = ( 0.5259060 0.5259060 0.2606880), wk = 0.0041841 k( 186) = ( 0.5276331 0.5276331 0.2780672), wk = 0.0041841 k( 187) = ( 0.5293602 0.5293602 0.2954464), wk = 0.0041841 k( 188) = ( 0.5310872 0.5310872 0.3128256), wk = 0.0041841 k( 189) = ( 0.5328143 0.5328143 0.3302048), wk = 0.0041841 k( 190) = ( 0.5345414 0.5345414 0.3475840), wk = 0.0041841 k( 191) = ( 0.5362684 0.5362684 0.3649632), wk = 0.0041841 k( 192) = ( 0.5379955 0.5379955 0.3823424), wk = 0.0041841 k( 193) = ( 0.5397226 0.5397225 0.3997216), wk = 0.0041841 k( 194) = ( 0.5414496 0.5414496 0.4171008), wk = 0.0041841 k( 195) = ( 0.5414496 0.5414496 0.4171008), wk = 0.0041841 k( 196) = ( 0.5355283 0.5355283 0.4289435), wk = 0.0041841 k( 197) = ( 0.5296069 0.5296069 0.4407863), wk = 0.0041841 k( 198) = ( 0.5236855 0.5236855 0.4526290), wk = 0.0041841 k( 199) = ( 0.5177641 0.5177641 0.4644718), wk = 0.0041841 k( 200) = ( 0.5118428 0.5118428 0.4763145), wk = 0.0041841 k( 201) = ( 0.5059214 0.5059214 0.4881573), wk = 0.0041841 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 203) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041841 k( 204) = ( 0.5023028 0.0127375 0.0127375), wk = 0.0041841 k( 205) = ( 0.5046055 0.0254750 0.0254750), wk = 0.0041841 k( 206) = ( 0.5069083 0.0382125 0.0382125), wk = 0.0041841 k( 207) = ( 0.5092110 0.0509500 0.0509500), wk = 0.0041841 k( 208) = ( 0.5115138 0.0636875 0.0636876), wk = 0.0041841 k( 209) = ( 0.5138165 0.0764251 0.0764251), wk = 0.0041841 k( 210) = ( 0.5161193 0.0891626 0.0891626), wk = 0.0041841 k( 211) = ( 0.5184220 0.1019001 0.1019001), wk = 0.0041841 k( 212) = ( 0.5207248 0.1146376 0.1146376), wk = 0.0041841 k( 213) = ( 0.5230276 0.1273751 0.1273751), wk = 0.0041841 k( 214) = ( 0.5253303 0.1401126 0.1401126), wk = 0.0041841 k( 215) = ( 0.5276331 0.1528501 0.1528501), wk = 0.0041841 k( 216) = ( 0.5299358 0.1655876 0.1655876), wk = 0.0041841 k( 217) = ( 0.5322386 0.1783251 0.1783252), wk = 0.0041841 k( 218) = ( 0.5345414 0.1910627 0.1910627), wk = 0.0041841 k( 219) = ( 0.5368441 0.2038002 0.2038002), wk = 0.0041841 k( 220) = ( 0.5391469 0.2165377 0.2165377), wk = 0.0041841 k( 221) = ( 0.5414496 0.2292752 0.2292752), wk = 0.0041841 k( 222) = ( 0.5437524 0.2420127 0.2420127), wk = 0.0041841 k( 223) = ( 0.5460551 0.2547502 0.2547502), wk = 0.0041841 k( 224) = ( 0.5483579 0.2674877 0.2674877), wk = 0.0041841 k( 225) = ( 0.5506606 0.2802252 0.2802252), wk = 0.0041841 k( 226) = ( 0.5529634 0.2929627 0.2929627), wk = 0.0041841 k( 227) = ( 0.5552662 0.3057002 0.3057003), wk = 0.0041841 k( 228) = ( 0.5575689 0.3184378 0.3184378), wk = 0.0041841 k( 229) = ( 0.5598717 0.3311753 0.3311753), wk = 0.0041841 k( 230) = ( 0.5621744 0.3439128 0.3439128), wk = 0.0041841 k( 231) = ( 0.5644772 0.3566503 0.3566503), wk = 0.0041841 k( 232) = ( 0.5667800 0.3693878 0.3693878), wk = 0.0041841 k( 233) = ( 0.5690827 0.3821253 0.3821253), wk = 0.0041841 k( 234) = ( 0.5713855 0.3948628 0.3948628), wk = 0.0041841 k( 235) = ( 0.5736882 0.4076003 0.4076003), wk = 0.0041841 k( 236) = ( 0.5759910 0.4203379 0.4203379), wk = 0.0041841 k( 237) = ( 0.5782937 0.4330754 0.4330754), wk = 0.0041841 k( 238) = ( 0.5805965 0.4458129 0.4458129), wk = 0.0041841 k( 239) = ( 0.5828992 0.4585504 0.4585504), wk = 0.0041841 Dense grid: 67581 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 46223 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 334, 76) NL pseudopotentials 0.69 Mb ( 167, 272) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1877) G-vector shells 0.01 Mb ( 1494) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.55 Mb ( 334, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.63 Mb ( 272, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu3TeS3Cl.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.7 secs Computing kpt #: 7 total cpu time spent up to now is 11.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.0 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.1 secs Computing kpt #: 12 total cpu time spent up to now is 17.2 secs Computing kpt #: 13 total cpu time spent up to now is 18.2 secs Computing kpt #: 14 total cpu time spent up to now is 19.3 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.4 secs Computing kpt #: 17 total cpu time spent up to now is 22.5 secs Computing kpt #: 18 total cpu time spent up to now is 23.6 secs Computing kpt #: 19 total cpu time spent up to now is 24.6 secs Computing kpt #: 20 total cpu time spent up to now is 25.7 secs Computing kpt #: 21 total cpu time spent up to now is 26.8 secs Computing kpt #: 22 total cpu time spent up to now is 28.0 secs Computing kpt #: 23 total cpu time spent up to now is 29.2 secs Computing kpt #: 24 total cpu time spent up to now is 30.4 secs Computing kpt #: 25 total cpu time spent up to now is 31.6 secs Computing kpt #: 26 total cpu time spent up to now is 32.8 secs Computing kpt #: 27 total cpu time spent up to now is 34.0 secs Computing kpt #: 28 total cpu time spent up to now is 35.2 secs Computing kpt #: 29 total cpu time spent up to now is 36.4 secs Computing 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is 55.7 secs Computing kpt #: 46 total cpu time spent up to now is 56.8 secs Computing kpt #: 47 total cpu time spent up to now is 57.9 secs Computing kpt #: 48 total cpu time spent up to now is 59.1 secs Computing kpt #: 49 total cpu time spent up to now is 60.4 secs Computing kpt #: 50 total cpu time spent up to now is 61.6 secs Computing kpt #: 51 total cpu time spent up to now is 62.7 secs Computing kpt #: 52 total cpu time spent up to now is 63.8 secs Computing kpt #: 53 total cpu time spent up to now is 64.9 secs Computing kpt #: 54 total cpu time spent up to now is 66.0 secs Computing kpt #: 55 total cpu time spent up to now is 67.0 secs Computing kpt #: 56 total cpu time spent up to now is 68.1 secs Computing kpt #: 57 total cpu time spent up to now is 69.2 secs Computing kpt #: 58 total cpu time spent up to now is 70.2 secs Computing kpt #: 59 total cpu time spent up to now is 71.2 secs Computing kpt #: 60 total cpu time spent up to now is 72.3 secs Computing kpt #: 61 total 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is 120.7 secs Computing kpt #: 108 total cpu time spent up to now is 121.9 secs Computing kpt #: 109 total cpu time spent up to now is 123.0 secs Computing kpt #: 110 total cpu time spent up to now is 124.2 secs Computing kpt #: 111 total cpu time spent up to now is 125.3 secs Computing kpt #: 112 total cpu time spent up to now is 126.5 secs Computing kpt #: 113 total cpu time spent up to now is 127.8 secs Computing kpt #: 114 total cpu time spent up to now is 128.9 secs Computing kpt #: 115 total cpu time spent up to now is 130.1 secs Computing kpt #: 116 total cpu time spent up to now is 131.3 secs Computing kpt #: 117 total cpu time spent up to now is 132.4 secs Computing kpt #: 118 total cpu time spent up to now is 133.5 secs Computing kpt #: 119 total cpu time spent up to now is 134.6 secs Computing kpt #: 120 total cpu time spent up to now is 135.7 secs Computing kpt #: 121 total cpu time spent up to now is 136.8 secs Computing kpt #: 122 total cpu time spent up to now is 137.9 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Computing kpt #: 138 total cpu time spent up to now is 155.3 secs Computing kpt #: 139 total cpu time spent up to now is 156.4 secs Computing kpt #: 140 total cpu time spent up to now is 157.5 secs Computing kpt #: 141 total cpu time spent up to now is 158.6 secs Computing kpt #: 142 total cpu time spent up to now is 159.7 secs Computing kpt #: 143 total cpu time spent up to now is 160.9 secs Computing kpt #: 144 total cpu time spent up to now is 162.0 secs Computing kpt #: 145 total cpu time spent up to now is 163.1 secs Computing kpt #: 146 total cpu time spent up to now is 164.2 secs Computing kpt #: 147 total cpu time spent up to now is 165.3 secs Computing kpt #: 148 total cpu time spent up to now is 166.4 secs Computing kpt #: 149 total cpu time spent up to now is 167.7 secs Computing kpt #: 150 total cpu time spent up to now is 168.9 secs Computing kpt #: 151 total cpu time spent up to now is 169.9 secs Computing kpt #: 152 total cpu time spent up to now is 171.1 secs Computing 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total cpu time spent up to now is 189.1 secs Computing kpt #: 169 total cpu time spent up to now is 190.1 secs Computing kpt #: 170 total cpu time spent up to now is 191.2 secs Computing kpt #: 171 total cpu time spent up to now is 192.3 secs Computing kpt #: 172 total cpu time spent up to now is 193.6 secs Computing kpt #: 173 total cpu time spent up to now is 194.8 secs Computing kpt #: 174 total cpu time spent up to now is 195.9 secs Computing kpt #: 175 total cpu time spent up to now is 197.0 secs Computing kpt #: 176 total cpu time spent up to now is 198.1 secs Computing kpt #: 177 total cpu time spent up to now is 199.2 secs Computing kpt #: 178 total cpu time spent up to now is 200.3 secs Computing kpt #: 179 total cpu time spent up to now is 201.3 secs Computing kpt #: 180 total cpu time spent up to now is 202.4 secs Computing kpt #: 181 total cpu time spent up to now is 203.5 secs Computing kpt #: 182 total cpu time spent up to now is 204.5 secs Computing kpt #: 183 total cpu 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up to now is 220.5 secs Computing kpt #: 199 total cpu time spent up to now is 221.4 secs Computing kpt #: 200 total cpu time spent up to now is 222.4 secs Computing kpt #: 201 total cpu time spent up to now is 223.3 secs Computing kpt #: 202 total cpu time spent up to now is 224.3 secs Computing kpt #: 203 total cpu time spent up to now is 225.5 secs Computing kpt #: 204 total cpu time spent up to now is 226.8 secs Computing kpt #: 205 total cpu time spent up to now is 228.0 secs Computing kpt #: 206 total cpu time spent up to now is 229.2 secs Computing kpt #: 207 total cpu time spent up to now is 230.5 secs Computing kpt #: 208 total cpu time spent up to now is 232.1 secs Computing kpt #: 209 total cpu time spent up to now is 233.3 secs Computing kpt #: 210 total cpu time spent up to now is 234.6 secs Computing kpt #: 211 total cpu time spent up to now is 235.8 secs Computing kpt #: 212 total cpu time spent up to now is 237.0 secs Computing kpt #: 213 total cpu time spent up to now is 238.3 secs Computing kpt #: 214 total cpu time spent up to now is 239.5 secs Computing kpt #: 215 total cpu time spent up to now is 240.7 secs Computing kpt #: 216 total cpu time spent up to now is 241.9 secs Computing kpt #: 217 total cpu time spent up to now is 243.1 secs Computing kpt #: 218 total cpu time spent up to now is 244.4 secs Computing kpt #: 219 total cpu time spent up to now is 245.6 secs Computing kpt #: 220 total cpu time spent up to now is 246.8 secs Computing kpt #: 221 total cpu time spent up to now is 248.1 secs Computing kpt #: 222 total cpu time spent up to now is 249.2 secs Computing kpt #: 223 total cpu time spent up to now is 250.2 secs Computing kpt #: 224 total cpu time spent up to now is 251.2 secs Computing kpt #: 225 total cpu time spent up to now is 252.3 secs Computing kpt #: 226 total cpu time spent up to now is 253.3 secs Computing kpt #: 227 total cpu time spent up to now is 254.3 secs Computing kpt #: 228 total cpu time spent up to now is 255.3 secs Computing kpt #: 229 total cpu time spent up to now is 256.4 secs Computing kpt #: 230 total cpu time spent up to now is 257.4 secs Computing kpt #: 231 total cpu time spent up to now is 258.5 secs Computing kpt #: 232 total cpu time spent up to now is 259.5 secs Computing kpt #: 233 total cpu time spent up to now is 260.5 secs Computing kpt #: 234 total cpu time spent up to now is 261.4 secs Computing kpt #: 235 total cpu time spent up to now is 262.4 secs Computing kpt #: 236 total cpu time spent up to now is 263.4 secs Computing kpt #: 237 total cpu time spent up to now is 264.4 secs Computing kpt #: 238 total cpu time spent up to now is 265.4 secs Computing kpt #: 239 total cpu time spent up to now is 266.4 secs ethr = 1.56E-08, avg # of iterations = 19.0 total cpu time spent up to now is 266.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5715 PWs) bands (ev): -9.0534 -9.0534 -8.3183 -8.3183 -6.6410 -6.6410 -6.6169 -6.6169 -4.1823 -4.1823 1.0382 1.0382 1.0907 1.0907 1.1629 1.1629 1.4123 1.4123 1.4925 1.4925 2.5364 2.5364 2.5707 2.5707 2.7332 2.7332 2.9063 2.9063 2.9093 2.9093 3.0788 3.0788 3.4990 3.4990 4.5312 4.5312 4.7190 4.7190 4.7641 4.7641 4.8734 4.8734 4.8933 4.8933 4.9737 4.9737 4.9842 4.9842 5.0929 5.0929 5.1803 5.1803 5.4302 5.4302 5.6177 5.6177 5.7004 5.7004 6.5123 6.5123 6.6606 6.6606 6.6790 6.6790 7.5279 7.5279 7.8327 7.8327 7.8897 7.8897 8.6169 8.6169 10.4091 10.4091 10.9107 10.9107 k = 0.0172-0.0017-0.0016 ( 5728 PWs) bands (ev): -9.0529 -9.0528 -8.3187 -8.3186 -6.6416 -6.6412 -6.6174 -6.6173 -4.1815 -4.1814 1.0331 1.0404 1.0896 1.0912 1.1639 1.1644 1.4105 1.4119 1.4886 1.4960 2.5357 2.5363 2.5698 2.5705 2.7308 2.7354 2.9053 2.9063 2.9081 2.9099 3.0810 3.0842 3.4976 3.4987 4.5298 4.5325 4.7131 4.7249 4.7626 4.7659 4.8715 4.8755 4.8873 4.8999 4.9735 4.9736 4.9832 4.9841 5.0913 5.0941 5.1795 5.1825 5.4276 5.4321 5.6167 5.6176 5.6992 5.7007 6.5094 6.5117 6.6574 6.6584 6.6756 6.6791 7.5277 7.5320 7.8333 7.8343 7.8941 7.8945 8.6174 8.6206 10.4049 10.4158 10.9143 10.9144 k = 0.0345-0.0034-0.0031 ( 5734 PWs) bands (ev): -9.0512 -9.0509 -8.3198 -8.3197 -6.6431 -6.6424 -6.6186 -6.6183 -4.1791 -4.1790 1.0254 1.0395 1.0887 1.0910 1.1675 1.1680 1.4073 1.4088 1.4852 1.4987 2.5342 2.5354 2.5678 2.5691 2.7286 2.7374 2.9025 2.9056 2.9073 2.9096 3.0907 3.0970 3.4947 3.4968 4.5285 4.5340 4.7075 4.7299 4.7622 4.7675 4.8705 4.8758 4.8841 4.9067 4.9730 4.9731 4.9814 4.9834 5.0898 5.0949 5.1802 5.1859 5.4246 5.4336 5.6148 5.6163 5.6973 5.7005 6.5031 6.5077 6.6477 6.6516 6.6701 6.6750 7.5312 7.5393 7.8358 7.8376 7.9081 7.9085 8.6222 8.6284 10.4035 10.4248 10.9248 10.9252 k = 0.0517-0.0052-0.0047 ( 5742 PWs) bands (ev): -9.0483 -9.0480 -8.3217 -8.3215 -6.6459 -6.6447 -6.6201 -6.6197 -4.1751 -4.1749 1.0152 1.0351 1.0890 1.0905 1.1724 1.1727 1.4028 1.4032 1.4830 1.5002 2.5318 2.5335 2.5648 2.5667 2.7268 2.7389 2.8984 2.9037 2.9067 2.9088 3.1075 3.1165 3.4903 3.4934 4.5274 4.5355 4.7025 4.7329 4.7638 4.7688 4.8702 4.8719 4.8860 4.9133 4.9716 4.9725 4.9795 4.9821 5.0885 5.0950 5.1823 5.1904 5.4211 5.4345 5.6119 5.6135 5.6949 5.7002 6.4935 6.5004 6.6318 6.6403 6.6630 6.6669 7.5379 7.5492 7.8400 7.8425 7.9319 7.9320 8.6313 8.6404 10.4049 10.4359 10.9424 10.9432 k = 0.0690-0.0069-0.0063 ( 5755 PWs) bands (ev): -9.0443 -9.0438 -8.3242 -8.3240 -6.6501 -6.6486 -6.6217 -6.6211 -4.1696 -4.1694 1.0027 1.0275 1.0900 1.0909 1.1764 1.1788 1.3948 1.3989 1.4824 1.5007 2.5284 2.5307 2.5611 2.5636 2.7257 2.7402 2.8935 2.9003 2.9061 2.9079 3.1307 3.1419 3.4843 3.4884 4.5264 4.5370 4.6984 4.7335 4.7680 4.7696 4.8670 4.8705 4.8894 4.9193 4.9684 4.9719 4.9789 4.9806 5.0877 5.0945 5.1857 5.1957 5.4173 5.4348 5.6076 5.6088 5.6923 5.7002 6.4809 6.4898 6.6110 6.6246 6.6540 6.6558 7.5470 7.5604 7.8462 7.8492 7.9644 7.9652 8.6447 8.6563 10.4093 10.4489 10.9669 10.9681 k = 0.0862-0.0086-0.0079 ( 5757 PWs) bands (ev): -9.0391 -9.0385 -8.3276 -8.3273 -6.6560 -6.6542 -6.6229 -6.6223 -4.1627 -4.1624 0.9881 1.0175 1.0893 1.0939 1.1787 1.1851 1.3862 1.3953 1.4832 1.5005 2.5238 2.5268 2.5568 2.5599 2.7254 2.7412 2.8881 2.8955 2.9053 2.9072 3.1594 3.1724 3.4768 3.4818 4.5256 4.5385 4.6951 4.7322 4.7701 4.7741 4.8626 4.8712 4.8928 4.9244 4.9635 4.9713 4.9797 4.9800 5.0876 5.0936 5.1902 5.2018 5.4133 5.4347 5.6018 5.6020 5.6901 5.7009 6.4655 6.4761 6.5863 6.6044 6.6424 6.6430 7.5573 7.5718 7.8551 7.8585 8.0052 8.0072 8.6623 8.6760 10.4164 10.4635 10.9980 10.9995 k = 0.1034-0.0103-0.0094 ( 5756 PWs) bands (ev): -9.0328 -9.0321 -8.3316 -8.3313 -6.6637 -6.6616 -6.6237 -6.6230 -4.1544 -4.1541 0.9717 1.0055 1.0880 1.0972 1.1783 1.1911 1.3789 1.3930 1.4855 1.4998 2.5180 2.5217 2.5523 2.5559 2.7257 2.7420 2.8820 2.8897 2.9043 2.9063 3.1930 3.2071 3.4680 3.4737 4.5249 4.5401 4.6928 4.7297 4.7703 4.7810 4.8589 4.8719 4.8953 4.9283 4.9576 4.9702 4.9803 4.9827 5.0883 5.0925 5.1955 5.2085 5.4092 5.4341 5.5930 5.5943 5.6885 5.7026 6.4475 6.4595 6.5587 6.5803 6.6273 6.6300 7.5680 7.5827 7.8672 7.8711 8.0532 8.0565 8.6842 8.6995 10.4263 10.4795 11.0353 11.0370 k = 0.1207-0.0121-0.0110 ( 5760 PWs) bands (ev): -9.0254 -9.0246 -8.3365 -8.3361 -6.6729 -6.6707 -6.6241 -6.6234 -4.1449 -4.1445 0.9538 0.9920 1.0854 1.0995 1.1751 1.1967 1.3745 1.3928 1.4890 1.4991 2.5110 2.5153 2.5477 2.5517 2.7266 2.7426 2.8756 2.8829 2.9032 2.9053 3.2306 3.2453 3.4577 3.4641 4.5245 4.5418 4.6914 4.7267 4.7704 4.7880 4.8561 4.8720 4.8964 4.9307 4.9511 4.9681 4.9836 4.9869 5.0899 5.0914 5.2013 5.2158 5.4049 5.4331 5.5819 5.5852 5.6880 5.7054 6.4270 6.4400 6.5288 6.5528 6.6108 6.6153 7.5781 7.5924 7.8832 7.8876 8.1069 8.1117 8.7104 8.7269 10.4389 10.4967 11.0782 11.0798 k = 0.1379-0.0138-0.0126 ( 5766 PWs) bands (ev): -9.0169 -9.0159 -8.3421 -8.3416 -6.6835 -6.6812 -6.6241 -6.6235 -4.1343 -4.1339 0.9346 0.9772 1.0809 1.0986 1.1707 1.2020 1.3740 1.3949 1.4937 1.4990 2.5029 2.5079 2.5429 2.5474 2.7279 2.7429 2.8688 2.8754 2.9018 2.9040 3.2715 3.2863 3.4461 3.4531 4.5244 4.5434 4.6909 4.7234 4.7705 4.7944 4.8545 4.8713 4.8962 4.9319 4.9445 4.9651 4.9894 4.9924 5.0906 5.0924 5.2075 5.2236 5.4008 5.4318 5.5692 5.5746 5.6887 5.7091 6.4042 6.4176 6.4975 6.5228 6.5931 6.5991 7.5872 7.6006 7.9034 7.9084 8.1651 8.1713 8.7410 8.7582 10.4539 10.5150 11.1259 11.1275 k = 0.1552-0.0155-0.0142 ( 5764 PWs) bands (ev): -9.0074 -9.0063 -8.3484 -8.3480 -6.6953 -6.6928 -6.6240 -6.6234 -4.1227 -4.1223 0.9142 0.9612 1.0740 1.0921 1.1680 1.2075 1.3773 1.3994 1.4999 1.5000 2.4939 2.4994 2.5380 2.5429 2.7293 2.7427 2.8620 2.8673 2.9001 2.9025 3.3150 3.3294 3.4334 3.4408 4.5246 4.5452 4.6912 4.7200 4.7709 4.8001 4.8538 4.8693 4.8952 4.9319 4.9384 4.9614 4.9975 4.9986 5.0902 5.0960 5.2138 5.2320 5.3968 5.4302 5.5552 5.5629 5.6904 5.7138 6.3790 6.3922 6.4655 6.4908 6.5744 6.5817 7.5953 7.6074 7.9280 7.9336 8.2259 8.2335 8.7764 8.7937 10.4712 10.5343 11.1775 11.1792 k = 0.1724-0.0172-0.0157 ( 5758 PWs) bands (ev): -8.9968 -8.9956 -8.3556 -8.3550 -6.7080 -6.7054 -6.6236 -6.6231 -4.1103 -4.1098 0.8928 0.9439 1.0645 1.0787 1.1692 1.2133 1.3837 1.4061 1.5026 1.5077 2.4842 2.4900 2.5329 2.5382 2.7305 2.7417 2.8553 2.8590 2.8983 2.9008 3.3603 3.3738 3.4200 3.4276 4.5252 4.5471 4.6921 4.7165 4.7718 4.8049 4.8536 4.8660 4.8941 4.9289 4.9351 4.9572 5.0052 5.0073 5.0906 5.1006 5.2200 5.2409 5.3932 5.4285 5.5403 5.5505 5.6931 5.7191 6.3514 6.3636 6.4334 6.4577 6.5550 6.5633 7.6026 7.6130 7.9566 7.9628 8.2877 8.2965 8.8169 8.8339 10.4905 10.5545 11.2320 11.2342 k = 0.1897-0.0189-0.0173 ( 5756 PWs) bands (ev): -8.9852 -8.9839 -8.3635 -8.3629 -6.7214 -6.7188 -6.6232 -6.6227 -4.0972 -4.0967 0.8705 0.9252 1.0525 1.0601 1.1738 1.2196 1.3926 1.4143 1.5074 1.5173 2.4738 2.4799 2.5273 2.5331 2.7313 2.7398 2.8489 2.8506 2.8961 2.8988 3.4014 3.4020 3.4182 3.4235 4.5261 4.5490 4.6936 4.7129 4.7733 4.8089 4.8531 4.8612 4.8939 4.9231 4.9350 4.9526 5.0118 5.0182 5.0921 5.1060 5.2262 5.2505 5.3899 5.4267 5.5250 5.5380 5.6967 5.7250 6.3212 6.3315 6.4018 6.4243 6.5349 6.5441 7.6092 7.6181 7.9889 7.9956 8.3486 8.3585 8.8632 8.8793 10.5118 10.5754 11.2886 11.2918 k = 0.2069-0.0207-0.0189 ( 5759 PWs) bands (ev): -8.9727 -8.9713 -8.3722 -8.3715 -6.7354 -6.7327 -6.6226 -6.6222 -4.0836 -4.0831 0.8474 0.9051 1.0387 1.0387 1.1804 1.2262 1.4030 1.4234 1.5151 1.5288 2.4629 2.4691 2.5214 2.5276 2.7312 2.7366 2.8425 2.8432 2.8936 2.8964 3.3875 3.3952 3.4574 3.4683 4.5274 4.5511 4.6954 4.7094 4.7757 4.8124 4.8517 4.8553 4.8953 4.9168 4.9357 4.9475 5.0182 5.0293 5.0947 5.1122 5.2321 5.2606 5.3870 5.4249 5.5096 5.5256 5.7010 5.7313 6.2883 6.2962 6.3710 6.3910 6.5143 6.5243 7.6158 7.6229 8.0243 8.0315 8.4068 8.4176 8.9157 8.9307 10.5349 10.5970 11.3462 11.3513 k = 0.2241-0.0224-0.0204 ( 5766 PWs) bands (ev): -8.9593 -8.9578 -8.3818 -8.3810 -6.7496 -6.7470 -6.6220 -6.6216 -4.0696 -4.0692 0.8239 0.8833 1.0167 1.0235 1.1880 1.2330 1.4146 1.4330 1.5259 1.5425 2.4516 2.4578 2.5148 2.5215 2.7301 2.7321 2.8350 2.8384 2.8908 2.8936 3.3713 3.3792 3.5051 3.5149 4.5293 4.5534 4.6972 4.7058 4.7790 4.8154 4.8486 4.8494 4.8983 4.9107 4.9366 4.9422 5.0244 5.0400 5.0991 5.1187 5.2377 5.2712 5.3847 5.4231 5.4946 5.5140 5.7059 5.7379 6.2526 6.2581 6.3409 6.3584 6.4934 6.5040 7.6224 7.6280 8.0623 8.0698 8.4609 8.4723 8.9748 8.9885 10.5596 10.6192 11.4040 11.4119 k = 0.2414-0.0241-0.0220 ( 5772 PWs) bands (ev): -8.9451 -8.9435 -8.3921 -8.3912 -6.7641 -6.7615 -6.6213 -6.6209 -4.0555 -4.0551 0.8000 0.8600 0.9951 1.0075 1.1958 1.2394 1.4270 1.4431 1.5399 1.5583 2.4398 2.4459 2.5077 2.5148 2.7263 2.7275 2.8286 2.8344 2.8877 2.8905 3.3546 3.3625 3.5531 3.5613 4.5317 4.5559 4.6988 4.7024 4.7834 4.8176 4.8415 4.8468 4.9027 4.9048 4.9367 4.9376 5.0304 5.0496 5.1054 5.1254 5.2430 5.2824 5.3830 5.4216 5.4803 5.5033 5.7114 5.7446 6.2144 6.2177 6.3113 6.3267 6.4722 6.4835 7.6295 7.6335 8.1023 8.1100 8.5098 8.5215 9.0404 9.0528 10.5857 10.6419 11.4614 11.4729 k = 0.2586-0.0258-0.0236 ( 5773 PWs) bands (ev): -8.9300 -8.9283 -8.4031 -8.4022 -6.7785 -6.7759 -6.6207 -6.6203 -4.0413 -4.0409 0.7761 0.8353 0.9749 0.9912 1.2034 1.2452 1.4401 1.4536 1.5567 1.5759 2.4276 2.4335 2.4998 2.5074 2.7192 2.7233 2.8234 2.8314 2.8843 2.8871 3.3377 3.3453 3.6004 3.6071 4.5346 4.5587 4.6992 4.7002 4.7887 4.8184 4.8346 4.8453 4.8994 4.9077 4.9316 4.9388 5.0362 5.0578 5.1137 5.1320 5.2479 5.2937 5.3820 5.4202 5.4671 5.4941 5.7174 5.7516 6.1741 6.1759 6.2820 6.2959 6.4511 6.4629 7.6371 7.6397 8.1437 8.1515 8.5530 8.5646 9.1121 9.1231 10.6130 10.6652 11.5179 11.5336 k = 0.2759-0.0276-0.0252 ( 5774 PWs) bands (ev): -8.9142 -8.9125 -8.4149 -8.4140 -6.7927 -6.7902 -6.6199 -6.6196 -4.0273 -4.0270 0.7524 0.8096 0.9563 0.9750 1.2104 1.2501 1.4539 1.4648 1.5760 1.5954 2.4151 2.4206 2.4912 2.4992 2.7113 2.7176 2.8196 2.8291 2.8807 2.8834 3.3208 3.3282 3.6466 3.6516 4.5382 4.5618 4.6963 4.7012 4.7941 4.8169 4.8285 4.8459 4.8945 4.9118 4.9278 4.9398 5.0421 5.0646 5.1237 5.1382 5.2524 5.3049 5.3819 5.4191 5.4554 5.4866 5.7239 5.7586 6.1323 6.1330 6.2529 6.2658 6.4302 6.4424 7.6454 7.6467 8.1859 8.1937 8.5906 8.6017 9.1889 9.1986 10.6415 10.6888 11.5732 11.5934 k = 0.2931-0.0293-0.0267 ( 5782 PWs) bands (ev): -8.8978 -8.8960 -8.4275 -8.4264 -6.8066 -6.8042 -6.6192 -6.6189 -4.0136 -4.0133 0.7292 0.7835 0.9395 0.9592 1.2167 1.2540 1.4683 1.4770 1.5972 1.6162 2.4022 2.4074 2.4819 2.4902 2.7027 2.7106 2.8170 2.8275 2.8768 2.8793 3.3043 3.3112 3.6911 3.6945 4.5423 4.5653 4.6937 4.7018 4.7979 4.8133 4.8250 4.8486 4.8902 4.9121 4.9282 4.9409 5.0480 5.0703 5.1346 5.1439 5.2565 5.3152 5.3827 5.4180 5.4460 5.4811 5.7307 5.7655 6.0897 6.0897 6.2238 6.2364 6.4095 6.4221 7.6542 7.6544 8.2283 8.2361 8.6228 8.6331 9.2694 9.2780 10.6708 10.7130 11.6269 11.6515 k = 0.3103-0.0310-0.0283 ( 5792 PWs) bands (ev): -8.8808 -8.8789 -8.4408 -8.4396 -6.8199 -6.8176 -6.6185 -6.6183 -4.0004 -4.0001 0.7068 0.7574 0.9243 0.9442 1.2222 1.2568 1.4832 1.4901 1.6198 1.6381 2.3892 2.3938 2.4717 2.4803 2.6939 2.7026 2.8155 2.8263 2.8727 2.8751 3.2883 3.2948 3.7335 3.7353 4.5470 4.5690 4.6914 4.7020 4.7976 4.8084 4.8264 4.8528 4.8869 4.9085 4.9327 4.9418 5.0541 5.0753 5.1458 5.1492 5.2603 5.3236 5.3846 5.4170 5.4396 5.4779 5.7378 5.7723 6.0463 6.0466 6.1949 6.2075 6.3893 6.4022 7.6627 7.6635 8.2703 8.2779 8.6503 8.6596 9.3522 9.3597 10.7008 10.7374 11.6787 11.7074 k = 0.3276-0.0327-0.0299 ( 5797 PWs) bands (ev): -8.8633 -8.8614 -8.4547 -8.4535 -6.8325 -6.8304 -6.6179 -6.6176 -3.9878 -3.9875 0.6856 0.7320 0.9108 0.9299 1.2269 1.2585 1.4986 1.5040 1.6433 1.6607 2.3759 2.3801 2.4608 2.4696 2.6851 2.6941 2.8148 2.8255 2.8686 2.8707 3.2732 3.2791 3.7734 3.7737 4.5522 4.5729 4.6896 4.7020 4.7936 4.8029 4.8318 4.8576 4.8847 4.9038 4.9385 4.9429 5.0605 5.0801 5.1540 5.1567 5.2639 5.3291 5.3871 5.4160 5.4373 5.4772 5.7451 5.7789 6.0034 6.0038 6.1665 6.1792 6.3698 6.3828 7.6716 7.6732 8.3113 8.3186 8.6736 8.6818 9.4357 9.4423 10.7310 10.7621 11.7284 11.7601 k = 0.3448-0.0344-0.0315 ( 5791 PWs) bands (ev): -8.8455 -8.8436 -8.4692 -8.4679 -6.8444 -6.8424 -6.6172 -6.6170 -3.9759 -3.9756 0.6656 0.7076 0.8987 0.9166 1.2309 1.2594 1.5142 1.5186 1.6672 1.6837 2.3627 2.3663 2.4493 2.4581 2.6765 2.6854 2.8148 2.8248 2.8645 2.8663 3.2591 3.2645 3.8094 3.8103 4.5578 4.5770 4.6884 4.7019 4.7881 4.7972 4.8386 4.8626 4.8839 4.8992 4.9441 4.9446 5.0670 5.0847 5.1584 5.1668 5.2674 5.3315 5.3898 5.4148 5.4401 5.4790 5.7526 5.7852 5.9615 5.9617 6.1385 6.1515 6.3512 6.3641 7.6807 7.6829 8.3506 8.3575 8.6934 8.7005 9.5184 9.5241 10.7613 10.7869 11.7752 11.8089 k = 0.3621-0.0362-0.0330 ( 5781 PWs) bands (ev): -8.8274 -8.8255 -8.4841 -8.4828 -6.8553 -6.8535 -6.6166 -6.6164 -3.9648 -3.9647 0.6473 0.6846 0.8881 0.9044 1.2343 1.2595 1.5298 1.5333 1.6911 1.7065 2.3496 2.3527 2.4373 2.4460 2.6685 2.6769 2.8150 2.8242 2.8605 2.8620 3.2462 3.2510 3.8421 3.8440 4.5637 4.5812 4.6877 4.7017 4.7823 4.7915 4.8449 4.8672 4.8848 4.8951 4.9455 4.9504 5.0739 5.0893 5.1626 5.1759 5.2710 5.3310 5.3923 5.4138 5.4477 5.4831 5.7602 5.7910 5.9209 5.9210 6.1115 6.1247 6.3337 6.3464 7.6899 7.6925 8.3877 8.3941 8.7102 8.7161 9.5987 9.6037 10.7910 10.8114 11.8184 11.8525 k = 0.3793-0.0379-0.0346 ( 5776 PWs) bands (ev): -8.8092 -8.8073 -8.4994 -8.4980 -6.8652 -6.8635 -6.6161 -6.6159 -3.9548 -3.9547 0.6308 0.6635 0.8788 0.8934 1.2370 1.2590 1.5449 1.5478 1.7146 1.7286 2.3370 2.3395 2.4251 2.4335 2.6612 2.6688 2.8156 2.8236 2.8567 2.8579 3.2346 3.2389 3.8714 3.8740 4.5696 4.5853 4.6875 4.7016 4.7768 4.7860 4.8497 4.8710 4.8874 4.8921 4.9474 4.9558 5.0807 5.0939 5.1666 5.1835 5.2747 5.3285 5.3949 5.4128 5.4586 5.4888 5.7676 5.7961 5.8820 5.8825 6.0858 6.0989 6.3176 6.3298 7.6989 7.7017 8.4218 8.4276 8.7244 8.7293 9.6751 9.6793 10.8196 10.8354 11.8569 11.8900 k = 0.3966-0.0396-0.0362 ( 5780 PWs) bands (ev): -8.7912 -8.7893 -8.5149 -8.5135 -6.8739 -6.8725 -6.6156 -6.6154 -3.9459 -3.9458 0.6164 0.6443 0.8709 0.8836 1.2394 1.2581 1.5593 1.5617 1.7370 1.7496 2.3249 2.3269 2.4130 2.4209 2.6547 2.6614 2.8162 2.8230 2.8532 2.8540 3.2245 3.2281 3.8972 3.9003 4.5754 4.5891 4.6880 4.7014 4.7716 4.7806 4.8530 4.8729 4.8908 4.8911 4.9498 4.9605 5.0875 5.0983 5.1705 5.1895 5.2787 5.3247 5.3977 5.4124 5.4713 5.4957 5.7747 5.8000 5.8460 5.8467 6.0618 6.0746 6.3031 6.3145 7.7074 7.7102 8.4525 8.4576 8.7364 8.7404 9.7460 9.7495 10.8467 10.8583 11.8899 11.9204 k = 0.4138-0.0413-0.0377 ( 5785 PWs) bands (ev): -8.7735 -8.7718 -8.5303 -8.5289 -6.8814 -6.8802 -6.6152 -6.6150 -3.9382 -3.9381 0.6043 0.6274 0.8644 0.8750 1.2414 1.2569 1.5725 1.5745 1.7578 1.7689 2.3139 2.3154 2.4014 2.4087 2.6491 2.6549 2.8168 2.8224 2.8501 2.8506 3.2160 3.2190 3.9193 3.9225 4.5809 4.5924 4.6890 4.7013 4.7671 4.7756 4.8553 4.8728 4.8917 4.8950 4.9528 4.9644 5.0940 5.1024 5.1745 5.1939 5.2830 5.3206 5.4010 5.4124 5.4845 5.5031 5.7807 5.7993 5.8148 5.8169 6.0401 6.0522 6.2905 6.3007 7.7153 7.7179 8.4791 8.4835 8.7465 8.7496 9.8098 9.8126 10.8714 10.8796 11.9165 11.9431 k = 0.4310-0.0430-0.0393 ( 5774 PWs) bands (ev): -8.7568 -8.7551 -8.5451 -8.5437 -6.8876 -6.8867 -6.6148 -6.6147 -3.9318 -3.9317 0.5945 0.6130 0.8593 0.8678 1.2432 1.2555 1.5840 1.5857 1.7764 1.7857 2.3042 2.3053 2.3910 2.3973 2.6446 2.6493 2.8175 2.8218 2.8475 2.8477 3.2090 3.2114 3.9377 3.9407 4.5859 4.5952 4.6904 4.7012 4.7634 4.7710 4.8571 4.8713 4.8939 4.8983 4.9564 4.9674 5.1000 5.1062 5.1786 5.1966 5.2875 5.3164 5.4047 5.4132 5.4972 5.5104 5.7779 5.7786 5.7952 5.8107 6.0215 6.0323 6.2801 6.2888 7.7221 7.7244 8.5014 8.5049 8.7548 8.7572 9.8649 9.8671 10.8931 10.8985 11.9365 11.9583 k = 0.4483-0.0448-0.0409 ( 5763 PWs) bands (ev): -8.7415 -8.7401 -8.5587 -8.5575 -6.8925 -6.8918 -6.6145 -6.6144 -3.9267 -3.9266 0.5873 0.6011 0.8555 0.8619 1.2448 1.2540 1.5936 1.5948 1.7922 1.7994 2.2961 2.2969 2.3823 2.3873 2.6412 2.6447 2.8181 2.8212 2.8454 2.8454 3.2036 3.2054 3.9522 3.9547 4.5902 4.5972 4.6923 4.7010 4.7606 4.7669 4.8586 4.8693 4.8965 4.9007 4.9601 4.9694 5.1050 5.1093 5.1827 5.1977 5.2918 5.3125 5.4085 5.4143 5.5085 5.5169 5.7551 5.7575 5.7971 5.8114 6.0065 6.0153 6.2720 6.2789 7.7277 7.7296 8.5190 8.5217 8.7615 8.7632 9.9097 9.9113 10.9110 10.9144 11.9506 11.9670 k = 0.4655-0.0465-0.0425 ( 5763 PWs) bands (ev): -8.7287 -8.7276 -8.5702 -8.5692 -6.8960 -6.8955 -6.6143 -6.6142 -3.9230 -3.9230 0.5827 0.5919 0.8531 0.8573 1.2463 1.2524 1.6008 1.6016 1.8044 1.8094 2.2901 2.2906 2.3758 2.3793 2.6389 2.6412 2.8186 2.8206 2.8438 2.8439 3.1999 3.2011 3.9627 3.9645 4.5937 4.5984 4.6942 4.7004 4.7589 4.7634 4.8602 4.8672 4.8988 4.9020 4.9636 4.9703 5.1089 5.1116 5.1867 5.1975 5.2958 5.3090 5.4119 5.4155 5.5174 5.5221 5.7369 5.7394 5.8016 5.8115 5.9957 6.0021 6.2665 6.2712 7.7320 7.7333 8.5318 8.5336 8.7664 8.7675 9.9428 9.9439 10.9244 10.9263 11.9598 11.9707 k = 0.4828-0.0482-0.0440 ( 5763 PWs) bands (ev): -8.7198 -8.7192 -8.5780 -8.5775 -6.8980 -6.8978 -6.6141 -6.6141 -3.9208 -3.9208 0.5809 0.5855 0.8521 0.8542 1.2478 1.2509 1.6053 1.6058 1.8126 1.8151 2.2864 2.2867 2.3721 2.3739 2.6377 2.6389 2.8191 2.8200 2.8428 2.8429 3.1977 3.1983 3.9692 3.9702 4.5963 4.5986 4.6962 4.6994 4.7583 4.7607 4.8617 4.8652 4.9006 4.9024 4.9666 4.9701 5.1116 5.1128 5.1904 5.1960 5.2994 5.3057 5.4145 5.4163 5.5233 5.5252 5.7258 5.7274 5.8056 5.8107 5.9898 5.9931 6.2636 6.2660 7.7348 7.7355 8.5397 8.5406 8.7695 8.7700 9.9633 9.9638 10.9329 10.9337 11.9656 11.9710 k = 0.5000-0.0499-0.0456 ( 5754 PWs) bands (ev): -8.7164 -8.7164 -8.5807 -8.5807 -6.8986 -6.8986 -6.6141 -6.6141 -3.9201 -3.9201 0.5818 0.5818 0.8524 0.8524 1.2494 1.2494 1.6070 1.6070 1.8162 1.8162 2.2853 2.2853 2.3714 2.3714 2.6378 2.6378 2.8196 2.8196 2.8426 2.8426 3.1972 3.1972 3.9717 3.9717 4.5979 4.5979 4.6980 4.6980 4.7590 4.7590 4.8634 4.8634 4.9019 4.9019 4.9689 4.9689 5.1129 5.1129 5.1936 5.1936 5.3026 5.3026 5.4160 5.4160 5.5259 5.5259 5.7227 5.7227 5.8087 5.8087 5.9889 5.9889 6.2635 6.2635 7.7359 7.7359 8.5426 8.5426 8.7707 8.7707 9.9704 9.9704 10.9360 10.9360 11.9691 11.9691 k = 0.5000-0.0499-0.0456 ( 5754 PWs) bands (ev): -8.7164 -8.7164 -8.5807 -8.5807 -6.8986 -6.8986 -6.6141 -6.6141 -3.9201 -3.9201 0.5818 0.5818 0.8524 0.8524 1.2494 1.2494 1.6070 1.6070 1.8162 1.8162 2.2853 2.2853 2.3714 2.3714 2.6378 2.6378 2.8196 2.8196 2.8426 2.8426 3.1972 3.1972 3.9717 3.9717 4.5979 4.5979 4.6980 4.6980 4.7590 4.7590 4.8634 4.8634 4.9019 4.9019 4.9689 4.9689 5.1129 5.1129 5.1936 5.1936 5.3026 5.3026 5.4160 5.4160 5.5259 5.5259 5.7227 5.7227 5.8087 5.8087 5.9889 5.9889 6.2635 6.2635 7.7359 7.7359 8.5426 8.5426 8.7707 8.7707 9.9704 9.9704 10.9360 10.9360 11.9691 11.9691 k = 0.5000-0.0383-0.0584 ( 5768 PWs) bands (ev): -8.7162 -8.7162 -8.5805 -8.5804 -6.8996 -6.8980 -6.6157 -6.6137 -3.9198 -3.9197 0.5678 0.5958 0.8394 0.8665 1.2421 1.2550 1.5993 1.6066 1.8137 1.8269 2.2651 2.2841 2.3719 2.3921 2.6367 2.6392 2.8155 2.8217 2.8392 2.8498 3.1956 3.1977 3.9707 3.9720 4.5961 4.6004 4.6952 4.7010 4.7566 4.7609 4.8609 4.8653 4.8990 4.9047 4.9609 4.9768 5.1015 5.1236 5.1895 5.1980 5.2947 5.3116 5.4069 5.4256 5.5247 5.5268 5.7110 5.7245 5.8065 5.8151 5.9788 5.9956 6.2555 6.2755 7.7370 7.7426 8.5411 8.5438 8.7710 8.7719 9.9722 9.9731 10.9374 10.9393 11.9647 11.9716 k = 0.5000-0.0266-0.0711 ( 5778 PWs) bands (ev): -8.7157 -8.7156 -8.5797 -8.5795 -6.9008 -6.8977 -6.6187 -6.6146 -3.9190 -3.9187 0.5541 0.6093 0.8278 0.8813 1.2333 1.2592 1.5852 1.5979 1.8197 1.8440 2.2375 2.2624 2.3928 2.4198 2.6360 2.6413 2.8121 2.8196 2.8423 2.8586 3.1929 3.1971 3.9689 3.9716 4.5951 4.6036 4.6926 4.7043 4.7538 4.7625 4.8579 4.8667 4.8963 4.9074 4.9531 4.9846 5.0899 5.1333 5.1856 5.2026 5.2879 5.3213 5.3986 5.4356 5.5230 5.5275 5.6943 5.7158 5.8095 5.8214 5.9678 5.9973 6.2526 6.2902 7.7457 7.7569 8.5394 8.5450 8.7728 8.7745 9.9786 9.9803 10.9434 10.9472 11.9585 11.9720 k = 0.5000-0.0150-0.0839 ( 5772 PWs) bands (ev): -8.7149 -8.7148 -8.5785 -8.5782 -6.9023 -6.8976 -6.6228 -6.6168 -3.9176 -3.9172 0.5410 0.6220 0.8180 0.8960 1.2230 1.2622 1.5669 1.5828 1.8327 1.8651 2.2085 2.2338 2.4203 2.4481 2.6356 2.6438 2.8101 2.8167 2.8491 2.8683 3.1892 3.1955 3.9663 3.9705 4.5949 4.6075 4.6902 4.7080 4.7509 4.7635 4.8547 4.8674 4.8940 4.9095 4.9458 4.9921 5.0786 5.1416 5.1822 5.2075 5.2824 5.3313 5.3914 5.4458 5.5198 5.5279 5.6767 5.7010 5.8113 5.8262 5.9588 5.9941 6.2548 6.3063 7.7614 7.7783 8.5374 8.5461 8.7761 8.7786 9.9891 9.9917 10.9542 10.9598 11.9506 11.9702 k = 0.5000-0.0034-0.0966 ( 5772 PWs) bands (ev): -8.7138 -8.7136 -8.5768 -8.5764 -6.9040 -6.8978 -6.6281 -6.6201 -3.9158 -3.9152 0.5286 0.6332 0.8101 0.9101 1.2116 1.2641 1.5458 1.5637 1.8505 1.8885 2.1799 2.2037 2.4483 2.4747 2.6353 2.6468 2.8091 2.8169 2.8574 2.8788 3.1846 3.1929 3.9629 3.9686 4.5953 4.6119 4.6879 4.7122 4.7477 4.7641 4.8513 4.8676 4.8920 4.9106 4.9394 4.9987 5.0679 5.1477 5.1795 5.2125 5.2781 5.3400 5.3866 5.4561 5.5138 5.5275 5.6611 5.6853 5.8049 5.8307 5.9532 5.9875 6.2613 6.3228 7.7835 7.8063 8.5349 8.5474 8.7810 8.7841 10.0034 10.0067 10.9696 10.9770 11.9413 11.9661 k = 0.5000 0.0083-0.1094 ( 5772 PWs) bands (ev): -8.7123 -8.7121 -8.5746 -8.5741 -6.9060 -6.8983 -6.6344 -6.6245 -3.9135 -3.9128 0.5172 0.6425 0.8041 0.9226 1.1994 1.2654 1.5232 1.5428 1.8712 1.9132 2.1523 2.1741 2.4745 2.4980 2.6352 2.6501 2.8097 2.8218 2.8666 2.8903 3.1791 3.1894 3.9586 3.9659 4.5964 4.6165 4.6858 4.7169 4.7446 4.7641 4.8478 4.8674 4.8903 4.9097 4.9348 5.0040 5.0585 5.1504 5.1784 5.2174 5.2752 5.3446 5.3869 5.4654 5.5045 5.5254 5.6498 5.6723 5.7911 5.8333 5.9502 5.9802 6.2704 6.3389 7.8110 7.8400 8.5321 8.5488 8.7875 8.7912 10.0209 10.0249 10.9896 10.9988 11.9308 11.9597 k = 0.5000 0.0199-0.1221 ( 5766 PWs) bands (ev): -8.7106 -8.7103 -8.5720 -8.5714 -6.9082 -6.8990 -6.6418 -6.6300 -3.9110 -3.9102 0.5067 0.6496 0.7997 0.9323 1.1872 1.2662 1.5001 1.5214 1.8936 1.9385 2.1264 2.1458 2.4971 2.5169 2.6355 2.6535 2.8133 2.8312 2.8768 2.9030 3.1729 3.1851 3.9534 3.9625 4.5979 4.6211 4.6838 4.7222 4.7415 4.7637 4.8443 4.8670 4.8888 4.9063 4.9324 5.0070 5.0514 5.1489 5.1795 5.2221 5.2733 5.3429 5.3937 5.4697 5.4958 5.5212 5.6435 5.6647 5.7732 5.8322 5.9478 5.9748 6.2811 6.3540 7.8427 7.8783 8.5287 8.5507 8.7957 8.7998 10.0409 10.0456 11.0141 11.0250 11.9191 11.9510 k = 0.5000 0.0316-0.1348 ( 5768 PWs) bands (ev): -8.7086 -8.7083 -8.5689 -8.5682 -6.9107 -6.8999 -6.6499 -6.6364 -3.9083 -3.9074 0.4973 0.6544 0.7963 0.9379 1.1756 1.2669 1.4776 1.5006 1.9168 1.9639 2.1022 2.1194 2.5150 2.5307 2.6366 2.6565 2.8208 2.8442 2.8881 2.9177 3.1661 3.1801 3.9473 3.9582 4.5997 4.6254 4.6819 4.7278 4.7390 4.7628 4.8410 4.8665 4.8873 4.9008 4.9316 5.0066 5.0478 5.1439 5.1820 5.2266 5.2724 5.3369 5.4044 5.4602 5.4973 5.5149 5.6419 5.6633 5.7544 5.8274 5.9449 5.9723 6.2921 6.3680 7.8775 7.9201 8.5250 8.5531 8.8056 8.8099 10.0627 10.0679 11.0428 11.0554 11.9065 11.9402 k = 0.5000 0.0432-0.1476 ( 5776 PWs) bands (ev): -8.7063 -8.7060 -8.5654 -8.5646 -6.9132 -6.9010 -6.6588 -6.6435 -3.9056 -3.9046 0.4888 0.6571 0.7928 0.9383 1.1648 1.2670 1.4575 1.4812 1.9402 1.9892 2.0800 2.0955 2.5276 2.5394 2.6389 2.6590 2.8321 2.8592 2.9013 2.9353 3.1590 3.1746 3.9401 3.9531 4.6017 4.6291 4.6803 4.7318 4.7390 4.7614 4.8378 4.8660 4.8856 4.8945 4.9315 5.0029 5.0475 5.1365 5.1847 5.2309 5.2719 5.3290 5.4149 5.4441 5.5015 5.5099 5.6445 5.6665 5.7376 5.8202 5.9421 5.9714 6.3029 6.3806 7.9140 7.9644 8.5208 8.5563 8.8169 8.8213 10.0854 10.0911 11.0753 11.0895 11.8931 11.9274 k = 0.5000 0.0549-0.1603 ( 5776 PWs) bands (ev): -8.7038 -8.7035 -8.5615 -8.5607 -6.9159 -6.9023 -6.6682 -6.6513 -3.9030 -3.9019 0.4813 0.6582 0.7882 0.9328 1.1546 1.2655 1.4418 1.4645 1.9631 2.0142 2.0597 2.0750 2.5349 2.5436 2.6424 2.6611 2.8462 2.8743 2.9175 2.9567 3.1516 3.1689 3.9320 3.9472 4.6037 4.6319 4.6790 4.7315 4.7444 4.7598 4.8349 4.8655 4.8822 4.8895 4.9313 4.9973 5.0492 5.1277 5.1870 5.2350 5.2714 5.3203 5.4153 5.4365 5.4957 5.5146 5.6507 5.6717 5.7262 5.8128 5.9396 5.9710 6.3131 6.3918 7.9510 8.0101 8.5163 8.5604 8.8295 8.8340 10.1082 10.1144 11.1111 11.1268 11.8789 11.9127 k = 0.5000 0.0665-0.1731 ( 5776 PWs) bands (ev): -8.7012 -8.7008 -8.5573 -8.5565 -6.9187 -6.9037 -6.6780 -6.6596 -3.9007 -3.8995 0.4747 0.6579 0.7813 0.9216 1.1434 1.2603 1.4331 1.4522 1.9840 2.0382 2.0414 2.0595 2.5375 2.5446 2.6467 2.6630 2.8614 2.8879 2.9375 2.9823 3.1442 3.1629 3.9228 3.9404 4.6057 4.6337 4.6779 4.7303 4.7517 4.7580 4.8325 4.8642 4.8764 4.8875 4.9308 4.9914 5.0514 5.1180 5.1887 5.2391 5.2697 5.3123 5.4012 5.4421 5.4884 5.5198 5.6598 5.6760 5.7239 5.8077 5.9373 5.9702 6.3226 6.4017 7.9873 8.0561 8.5116 8.5656 8.8431 8.8478 10.1304 10.1372 11.1492 11.1663 11.8637 11.8962 k = 0.5000 0.0781-0.1858 ( 5780 PWs) bands (ev): -8.6984 -8.6980 -8.5528 -8.5520 -6.9214 -6.9053 -6.6881 -6.6683 -3.8988 -3.8976 0.4687 0.6565 0.7714 0.9054 1.1293 1.2489 1.4333 1.4466 1.9994 2.0241 2.0515 2.0639 2.5365 2.5436 2.6513 2.6648 2.8759 2.8999 2.9614 3.0115 3.1370 3.1570 3.9125 3.9327 4.6074 4.6342 4.6766 4.7297 4.7561 4.7591 4.8305 4.8607 4.8710 4.8873 4.9298 4.9858 5.0532 5.1082 5.1897 5.2430 5.2660 5.3061 5.3861 5.4459 5.4836 5.5223 5.6710 5.6795 5.7312 5.8065 5.9350 5.9688 6.3313 6.4103 8.0220 8.1015 8.5067 8.5721 8.8571 8.8623 10.1513 10.1589 11.1883 11.2068 11.8470 11.8775 k = 0.5000 0.0898-0.1986 ( 5782 PWs) bands (ev): -8.6954 -8.6950 -8.5481 -8.5472 -6.9241 -6.9068 -6.6983 -6.6773 -3.8975 -3.8963 0.4632 0.6542 0.7582 0.8855 1.1108 1.2301 1.4416 1.4509 2.0029 2.0095 2.0589 2.0874 2.5333 2.5415 2.6556 2.6668 2.8889 2.9105 2.9888 3.0432 3.1304 3.1514 3.9011 3.9240 4.6089 4.6339 4.6748 4.7299 4.7545 4.7659 4.8290 4.8545 4.8678 4.8881 4.9283 4.9810 5.0543 5.0989 5.1899 5.2468 5.2604 5.3022 5.3724 5.4439 5.4832 5.5222 5.6819 5.6874 5.7453 5.8100 5.9327 5.9671 6.3392 6.4177 8.0543 8.1456 8.5017 8.5799 8.8710 8.8773 10.1703 10.1789 11.2269 11.2467 11.8282 11.8563 k = 0.5000 0.1014-0.2113 ( 5776 PWs) bands (ev): -8.6923 -8.6919 -8.5433 -8.5423 -6.9267 -6.9084 -6.7085 -6.6863 -3.8969 -3.8957 0.4578 0.6509 0.7416 0.8632 1.0872 1.2044 1.4549 1.4676 1.9953 1.9999 2.0765 2.1109 2.5294 2.5387 2.6594 2.6689 2.9004 2.9202 3.0186 3.0755 3.1251 3.1462 3.8886 3.9144 4.6098 4.6330 4.6723 4.7309 4.7535 4.7712 4.8267 4.8487 4.8653 4.8895 4.9266 4.9772 5.0546 5.0907 5.1894 5.2502 5.2540 5.2999 5.3603 5.4364 5.4867 5.5202 5.6912 5.7026 5.7634 5.8180 5.9305 5.9651 6.3465 6.4241 8.0835 8.1877 8.4969 8.5891 8.8842 8.8923 10.1869 10.1969 11.2627 11.2839 11.8064 11.8326 k = 0.5000 0.1131-0.2241 ( 5774 PWs) bands (ev): -8.6892 -8.6887 -8.5382 -8.5373 -6.9291 -6.9098 -6.7184 -6.6954 -3.8972 -3.8959 0.4523 0.6465 0.7220 0.8396 1.0588 1.1730 1.4745 1.4932 1.9850 1.9936 2.0977 2.1340 2.5258 2.5359 2.6626 2.6711 2.9105 2.9293 3.0496 3.1022 3.1262 3.1421 3.8750 3.9039 4.6102 4.6317 4.6688 4.7318 4.7539 4.7744 4.8217 4.8468 4.8624 4.8911 4.9249 4.9745 5.0543 5.0840 5.1884 5.2483 5.2529 5.2979 5.3500 5.4257 5.4921 5.5182 5.7026 5.7208 5.7841 5.8289 5.9292 5.9634 6.3532 6.4297 8.1093 8.2272 8.4924 8.5994 8.8963 8.9066 10.2008 10.2124 11.2931 11.3157 11.7811 11.8069 k = 0.5000 0.1247-0.2368 ( 5780 PWs) bands (ev): -8.6860 -8.6855 -8.5332 -8.5323 -6.9312 -6.9112 -6.7281 -6.7043 -3.8985 -3.8972 0.4462 0.6406 0.6998 0.8155 1.0263 1.1370 1.5009 1.5244 1.9764 1.9886 2.1200 2.1569 2.5232 2.5335 2.6653 2.6734 2.9196 2.9378 3.0801 3.1069 3.1373 3.1518 3.8602 3.8923 4.6098 4.6304 4.6645 4.7318 4.7562 4.7751 4.8137 4.8493 4.8588 4.8927 4.9240 4.9725 5.0537 5.0792 5.1867 5.2441 5.2545 5.2954 5.3416 5.4134 5.4983 5.5182 5.7159 5.7412 5.8066 5.8407 5.9300 5.9627 6.3596 6.4346 8.1317 8.2635 8.4885 8.6107 8.9068 8.9195 10.2118 10.2254 11.3150 11.3388 11.7536 11.7807 k = 0.5000 0.1364-0.2496 ( 5780 PWs) bands (ev): -8.6828 -8.6823 -8.5281 -8.5272 -6.9330 -6.9123 -6.7374 -6.7130 -3.9008 -3.8995 0.4391 0.6328 0.6759 0.7919 0.9910 1.0975 1.5333 1.5598 1.9699 1.9853 2.1427 2.1795 2.5221 2.5322 2.6675 2.6756 2.9280 2.9459 3.1024 3.1084 3.1389 3.1828 3.8444 3.8796 4.6081 4.6293 4.6597 4.7303 4.7603 4.7738 4.8054 4.8530 4.8552 4.8942 4.9245 4.9709 5.0533 5.0765 5.1847 5.2414 5.2541 5.2924 5.3356 5.4002 5.5046 5.5219 5.7301 5.7632 5.8303 5.8506 5.9345 5.9639 6.3657 6.4390 8.1507 8.2962 8.4855 8.6226 8.9150 8.9305 10.2196 10.2357 11.3250 11.3497 11.7272 11.7565 k = 0.5000 0.1480-0.2623 ( 5780 PWs) bands (ev): -8.6795 -8.6791 -8.5231 -8.5223 -6.9344 -6.9132 -6.7462 -6.7214 -3.9043 -3.9030 0.4307 0.6222 0.6509 0.7692 0.9536 1.0553 1.5707 1.5983 1.9655 1.9840 2.1655 2.2019 2.5227 2.5323 2.6694 2.6776 2.9358 2.9536 3.1000 3.1195 3.1546 3.2140 3.8274 3.8658 4.6049 4.6284 4.6551 4.7273 4.7631 4.7729 4.7985 4.8487 4.8589 4.8955 4.9269 4.9693 5.0533 5.0764 5.1822 5.2394 5.2514 5.2901 5.3316 5.3870 5.5111 5.5296 5.7443 5.7862 5.8542 5.8569 5.9434 5.9689 6.3718 6.4430 8.1667 8.3247 8.4840 8.6348 8.9208 8.9391 10.2244 10.2431 11.3207 11.3455 11.7053 11.7362 k = 0.5000 0.1597-0.2751 ( 5784 PWs) bands (ev): -8.6763 -8.6759 -8.5183 -8.5175 -6.9352 -6.9137 -6.7545 -6.7294 -3.9090 -3.9077 0.4204 0.6077 0.6265 0.7478 0.9151 1.0111 1.6122 1.6389 1.9632 1.9850 2.1884 2.2241 2.5252 2.5340 2.6711 2.6795 2.9431 2.9609 3.0971 3.1201 3.1808 3.2439 3.8093 3.8509 4.5997 4.6277 4.6511 4.7227 4.7590 4.7778 4.7939 4.8430 4.8630 4.8966 4.9311 4.9674 5.0540 5.0789 5.1793 5.2360 5.2483 5.2890 5.3289 5.3745 5.5190 5.5403 5.7579 5.8089 5.8598 5.8782 5.9552 5.9799 6.3780 6.4468 8.1798 8.3481 8.4846 8.6468 8.9235 8.9449 10.2263 10.2479 11.3017 11.3256 11.6894 11.7205 k = 0.5000 0.1713-0.2878 ( 5790 PWs) bands (ev): -8.6731 -8.6727 -8.5136 -8.5129 -6.9354 -6.9137 -6.7621 -6.7371 -3.9149 -3.9136 0.4081 0.5868 0.6053 0.7276 0.8763 0.9654 1.6572 1.6811 1.9631 1.9889 2.2113 2.2463 2.5298 2.5374 2.6728 2.6812 2.9501 2.9679 3.0948 3.1188 3.2080 3.2718 3.7901 3.8347 4.5923 4.6272 4.6481 4.7161 4.7529 4.7841 4.7923 4.8377 4.8664 4.8974 4.9364 4.9656 5.0552 5.0839 5.1757 5.2289 5.2478 5.2890 5.3266 5.3636 5.5292 5.5531 5.7701 5.8279 5.8643 5.9007 5.9685 5.9975 6.3844 6.4506 8.1905 8.3656 8.4882 8.6581 8.9232 8.9476 10.2255 10.2502 11.2698 11.2924 11.6782 11.7079 k = 0.5000 0.1829-0.3006 ( 5788 PWs) bands (ev): -8.6700 -8.6696 -8.5092 -8.5085 -6.9350 -6.9133 -6.7691 -6.7442 -3.9220 -3.9207 0.3935 0.5611 0.5861 0.7083 0.8379 0.9188 1.7048 1.7240 1.9656 1.9961 2.2342 2.2685 2.5364 2.5427 2.6745 2.6829 2.9567 2.9746 3.0931 3.1174 3.2339 3.2975 3.7697 3.8171 4.5828 4.6268 4.6460 4.7077 4.7476 4.7861 4.7954 4.8340 4.8693 4.8976 4.9417 4.9645 5.0568 5.0910 5.1719 5.2193 5.2497 5.2895 5.3240 5.3553 5.5419 5.5675 5.7806 5.8365 5.8782 5.9215 5.9848 6.0193 6.3913 6.4546 8.1991 8.3770 8.4949 8.6683 8.9198 8.9471 10.2225 10.2502 11.2281 11.2496 11.6689 11.6960 k = 0.5000 0.1946-0.3133 ( 5790 PWs) bands (ev): -8.6670 -8.6666 -8.5050 -8.5045 -6.9338 -6.9123 -6.7755 -6.7509 -3.9304 -3.9291 0.3768 0.5338 0.5662 0.6893 0.8006 0.8717 1.7545 1.7668 1.9709 2.0075 2.2571 2.2907 2.5446 2.5497 2.6765 2.6846 2.9631 2.9811 3.0920 3.1161 3.2579 3.3207 3.7481 3.7982 4.5714 4.6267 4.6440 4.6984 4.7440 4.7855 4.7989 4.8339 4.8718 4.8975 4.9452 4.9657 5.0585 5.0994 5.1683 5.2089 5.2526 5.2898 5.3206 5.3502 5.5567 5.5831 5.7893 5.8365 5.9006 5.9410 6.0046 6.0430 6.3987 6.4590 8.2060 8.3828 8.5041 8.6767 8.9132 8.9435 10.2178 10.2484 11.1798 11.2005 11.6586 11.6826 k = 0.5000 0.2062-0.3261 ( 5790 PWs) bands (ev): -8.6641 -8.6637 -8.5012 -8.5007 -6.9318 -6.9106 -6.7811 -6.7571 -3.9400 -3.9387 0.3581 0.5060 0.5449 0.6697 0.7650 0.8245 1.8056 1.8088 1.9794 2.0237 2.2801 2.3129 2.5543 2.5584 2.6787 2.6864 2.9693 2.9873 3.0914 3.1150 3.2798 3.3413 3.7253 3.7777 4.5588 4.6266 4.6415 4.6897 4.7417 4.7847 4.7989 4.8384 4.8742 4.8972 4.9459 4.9698 5.0595 5.1084 5.1660 5.1982 5.2562 5.2899 5.3169 5.3479 5.5736 5.5997 5.7963 5.8340 5.9258 5.9602 6.0267 6.0672 6.4069 6.4640 8.2113 8.3842 8.5146 8.6830 8.9037 8.9370 10.2120 10.2454 11.1274 11.1476 11.6455 11.6659 k = 0.5000 0.2179-0.3388 ( 5792 PWs) bands (ev): -8.6612 -8.6608 -8.4977 -8.4974 -6.9291 -6.9083 -6.7862 -6.7627 -3.9507 -3.9495 0.3377 0.4782 0.5218 0.6492 0.7314 0.7776 1.8486 1.8574 1.9917 2.0457 2.3031 2.3352 2.5647 2.5687 2.6815 2.6887 2.9752 2.9932 3.0912 3.1142 3.2994 3.3591 3.7012 3.7557 4.5454 4.6259 4.6379 4.6830 4.7405 4.7838 4.7965 4.8453 4.8764 4.8971 4.9451 4.9756 5.0594 5.1175 5.1660 5.1877 5.2601 5.2895 5.3136 5.3476 5.5921 5.6172 5.8022 5.8314 5.9520 5.9799 6.0500 6.0911 6.4159 6.4696 8.2154 8.3824 8.5249 8.6865 8.8918 8.9279 10.2058 10.2415 11.0727 11.0926 11.6283 11.6450 k = 0.5000 0.2295-0.3516 ( 5804 PWs) bands (ev): -8.6585 -8.6581 -8.4947 -8.4944 -6.9255 -6.9052 -6.7906 -6.7679 -3.9625 -3.9613 0.3162 0.4509 0.4970 0.6273 0.6997 0.7315 1.8861 1.9081 2.0091 2.0739 2.3263 2.3575 2.5755 2.5802 2.6850 2.6917 2.9810 2.9990 3.0913 3.1135 3.3166 3.3740 3.6759 3.7320 4.5315 4.6225 4.6349 4.6790 4.7400 4.7823 4.7938 4.8521 4.8785 4.8976 4.9437 4.9818 5.0579 5.1260 5.1670 5.1799 5.2639 5.2888 5.3110 5.3486 5.6119 5.6353 5.8075 5.8295 5.9785 6.0004 6.0732 6.1142 6.4257 6.4763 8.2184 8.3785 8.5338 8.6868 8.8778 8.9166 10.1997 10.2375 11.0170 11.0367 11.6061 11.6192 k = 0.5000 0.2412-0.3643 ( 5796 PWs) bands (ev): -8.6559 -8.6555 -8.4920 -8.4919 -6.9211 -6.9015 -6.7943 -6.7725 -3.9752 -3.9740 0.2940 0.4241 0.4707 0.6043 0.6694 0.6868 1.9213 1.9554 2.0336 2.1080 2.3497 2.3798 2.5863 2.5924 2.6895 2.6959 2.9867 3.0046 3.0917 3.1129 3.3312 3.3860 3.6494 3.7065 4.5178 4.6150 4.6343 4.6777 4.7404 4.7799 4.7920 4.8571 4.8805 4.8992 4.9422 4.9877 5.0556 5.1340 5.1616 5.1822 5.2674 5.2883 5.3094 5.3507 5.6326 5.6539 5.8129 5.8290 6.0048 6.0217 6.0959 6.1360 6.4366 6.4840 8.2203 8.3728 8.5407 8.6834 8.8622 8.9037 10.1945 10.2338 10.9611 10.9808 11.5786 11.5883 k = 0.5000 0.2528-0.3771 ( 5806 PWs) bands (ev): -8.6534 -8.6531 -8.4898 -8.4897 -6.9159 -6.8970 -6.7976 -6.7767 -3.9888 -3.9876 0.2714 0.3981 0.4432 0.5803 0.6373 0.6464 1.9546 1.9960 2.0680 2.1470 2.3732 2.4022 2.5969 2.6044 2.6952 2.7017 2.9922 3.0100 3.0923 3.1123 3.3434 3.3950 3.6218 3.6793 4.5044 4.6051 4.6350 4.6781 4.7413 4.7767 4.7913 4.8595 4.8823 4.9014 4.9407 4.9923 5.0538 5.1408 5.1540 5.1907 5.2701 5.2880 5.3087 5.3535 5.6538 5.6727 5.8189 5.8300 6.0308 6.0437 6.1173 6.1563 6.4484 6.4930 8.2213 8.3655 8.5453 8.6762 8.8457 8.8894 10.1907 10.2310 10.9058 10.9255 11.5457 11.5524 k = 0.5000 0.2644-0.3898 ( 5800 PWs) bands (ev): -8.6511 -8.6508 -8.4880 -8.4879 -6.9099 -6.8919 -6.8002 -6.7805 -4.0030 -4.0019 0.2490 0.3730 0.4152 0.5556 0.5979 0.6156 1.9871 2.0301 2.1116 2.1894 2.3969 2.4245 2.6067 2.6156 2.7024 2.7099 2.9977 3.0152 3.0929 3.1118 3.3530 3.4010 3.5931 3.6503 4.4916 4.5944 4.6362 4.6796 4.7429 4.7734 4.7913 4.8595 4.8842 4.9035 4.9388 4.9948 5.0542 5.1397 5.1551 5.2007 5.2718 5.2882 5.3092 5.3569 5.6751 5.6917 5.8257 5.8329 6.0561 6.0661 6.1374 6.1751 6.4611 6.5034 8.2211 8.3567 8.5473 8.6652 8.8288 8.8744 10.1889 10.2295 10.8515 10.8712 11.5075 11.5117 k = 0.5000 0.2761-0.4026 ( 5802 PWs) bands (ev): -8.6489 -8.6486 -8.4867 -8.4865 -6.9033 -6.8861 -6.8024 -6.7838 -4.0178 -4.0168 0.2271 0.3490 0.3872 0.5301 0.5582 0.5874 2.0198 2.0614 2.1598 2.2337 2.4209 2.4469 2.6155 2.6253 2.7117 2.7207 3.0030 3.0204 3.0936 3.1112 3.3600 3.4037 3.5636 3.6194 4.4798 4.5837 4.6377 4.6818 4.7450 4.7703 4.7916 4.8578 4.8860 4.9047 4.9362 4.9943 5.0578 5.1331 5.1638 5.2102 5.2722 5.2893 5.3111 5.3606 5.6961 5.7106 5.8338 5.8375 6.0804 6.0889 6.1557 6.1922 6.4747 6.5152 8.2198 8.3461 8.5470 8.6508 8.8117 8.8587 10.1892 10.2297 10.7989 10.8185 11.4644 11.4666 k = 0.5000 0.2877-0.4153 ( 5806 PWs) bands (ev): -8.6469 -8.6466 -8.4856 -8.4854 -6.8961 -6.8799 -6.8041 -6.7867 -4.0330 -4.0320 0.2059 0.3261 0.3596 0.5032 0.5216 0.5596 2.0532 2.0928 2.2089 2.2783 2.4452 2.4693 2.6231 2.6334 2.7234 2.7342 3.0083 3.0254 3.0943 3.1106 3.3646 3.4029 3.5337 3.5868 4.4691 4.5732 4.6391 4.6844 4.7475 4.7675 4.7920 4.8547 4.8878 4.9049 4.9325 4.9911 5.0644 5.1271 5.1742 5.2182 5.2715 5.2918 5.3142 5.3645 5.7167 5.7293 5.8430 5.8440 6.1037 6.1117 6.1724 6.2077 6.4890 6.5281 8.2170 8.3334 8.5448 8.6339 8.7949 8.8424 10.1920 10.2318 10.7482 10.7677 11.4167 11.4182 k = 0.5000 0.2994-0.4281 ( 5802 PWs) bands (ev): -8.6450 -8.6448 -8.4850 -8.4847 -6.8884 -6.8733 -6.8054 -6.7892 -4.0484 -4.0474 0.1857 0.3044 0.3331 0.4733 0.4901 0.5318 2.0878 2.1254 2.2567 2.3219 2.4699 2.4919 2.6296 2.6398 2.7379 2.7501 3.0135 3.0304 3.0949 3.1099 3.3667 3.3980 3.5042 3.5525 4.4596 4.5631 4.6407 4.6873 4.7503 4.7653 4.7925 4.8507 4.8895 4.9040 4.9279 4.9859 5.0726 5.1228 5.1856 5.2237 5.2698 5.2961 5.3185 5.3685 5.7367 5.7478 5.8517 5.8540 6.1257 6.1342 6.1874 6.2219 6.5039 6.5420 8.2124 8.3182 8.5413 8.6156 8.7785 8.8257 10.1975 10.2359 10.6998 10.7192 11.3649 11.3672 k = 0.5000 0.3110-0.4408 ( 5806 PWs) bands (ev): -8.6433 -8.6430 -8.4846 -8.4842 -6.8803 -6.8663 -6.8062 -6.7913 -4.0638 -4.0628 0.1667 0.2838 0.3080 0.4414 0.4633 0.5041 2.1236 2.1596 2.3018 2.3632 2.4949 2.5146 2.6352 2.6448 2.7552 2.7684 3.0186 3.0352 3.0954 3.1091 3.3663 3.3878 3.4764 3.5168 4.4516 4.5534 4.6424 4.6903 4.7533 4.7638 4.7928 4.8458 4.8909 4.9024 4.9227 4.9793 5.0810 5.1201 5.1975 5.2267 5.2680 5.3020 5.3236 5.3724 5.7561 5.7662 5.8609 5.8657 6.1467 6.1559 6.2008 6.2347 6.5193 6.5566 8.2054 8.3001 8.5370 8.5972 8.7626 8.8085 10.2055 10.2421 10.6542 10.6734 11.3103 11.3138 k = 0.5000 0.3227-0.4536 ( 5808 PWs) bands (ev): -8.6417 -8.6415 -8.4845 -8.4841 -6.8721 -6.8593 -6.8067 -6.7932 -4.0790 -4.0780 0.1493 0.2642 0.2849 0.4102 0.4387 0.4766 2.1606 2.1952 2.3432 2.4010 2.5202 2.5376 2.6401 2.6489 2.7753 2.7887 3.0237 3.0399 3.0958 3.1082 3.3632 3.3709 3.4521 3.4797 4.4450 4.5442 4.6442 4.6933 4.7562 4.7631 4.7931 4.8400 4.8922 4.9001 4.9176 4.9718 5.0889 5.1189 5.2092 5.2273 5.2669 5.3089 5.3293 5.3759 5.7747 5.7842 5.8712 5.8782 6.1666 6.1764 6.2128 6.2465 6.5351 6.5716 8.1956 8.2791 8.5326 8.5800 8.7476 8.7910 10.2161 10.2503 10.6117 10.6306 11.2538 11.2585 k = 0.5000 0.3343-0.4663 ( 5800 PWs) bands (ev): -8.6403 -8.6401 -8.4846 -8.4841 -6.8639 -6.8523 -6.8068 -6.7947 -4.0937 -4.0929 0.1334 0.2450 0.2646 0.3812 0.4155 0.4496 2.1985 2.2320 2.3804 2.4344 2.5453 2.5604 2.6446 2.6524 2.7982 2.8113 3.0287 3.0445 3.0961 3.1071 3.3464 3.3581 3.4317 3.4421 4.4399 4.5355 4.6463 4.6961 4.7585 4.7639 4.7931 4.8337 4.8932 4.8971 4.9131 4.9637 5.0958 5.1190 5.2191 5.2264 5.2682 5.3161 5.3354 5.3791 5.7928 5.8018 5.8822 5.8909 6.1853 6.1956 6.2237 6.2573 6.5511 6.5865 8.1828 8.2553 8.5285 8.5648 8.7336 8.7733 10.2290 10.2605 10.5725 10.5910 11.1964 11.2021 k = 0.5000 0.3460-0.4791 ( 5804 PWs) bands (ev): -8.6390 -8.6388 -8.4848 -8.4844 -6.8558 -6.8456 -6.8065 -6.7959 -4.1079 -4.1071 0.1194 0.2257 0.2477 0.3547 0.3935 0.4234 2.2369 2.2695 2.4133 2.4629 2.5697 2.5827 2.6488 2.6557 2.8239 2.8359 3.0336 3.0488 3.0962 3.1060 3.3167 3.3494 3.4035 3.4152 4.4363 4.5271 4.6487 4.6987 4.7597 4.7661 4.7929 4.8268 4.8935 4.8940 4.9094 4.9554 5.1016 5.1200 5.2235 5.2260 5.2735 5.3231 5.3416 5.3818 5.8100 5.8188 5.8939 5.9036 6.2027 6.2132 6.2337 6.2672 6.5671 6.6011 8.1668 8.2291 8.5247 8.5522 8.7210 8.7560 10.2440 10.2724 10.5370 10.5548 11.1389 11.1456 k = 0.5000 0.3576-0.4918 ( 5792 PWs) bands (ev): -8.6378 -8.6377 -8.4852 -8.4848 -6.8480 -6.8393 -6.8059 -6.7968 -4.1213 -4.1205 0.1073 0.2065 0.2342 0.3310 0.3728 0.3981 2.2755 2.3069 2.4423 2.4867 2.5922 2.6038 2.6526 2.6592 2.8522 2.8627 3.0383 3.0530 3.0961 3.1047 3.2838 3.3354 3.3688 3.3989 4.4341 4.5191 4.6515 4.7010 4.7608 4.7689 4.7924 4.8198 4.8899 4.8945 4.9067 4.9470 5.1063 5.1217 5.2212 5.2276 5.2830 5.3296 5.3475 5.3839 5.8265 5.8348 5.9060 5.9158 6.2187 6.2291 6.2430 6.2763 6.5829 6.6150 8.1482 8.2012 8.5214 8.5421 8.7101 8.7395 10.2607 10.2856 10.5053 10.5222 11.0821 11.0896 k = 0.5000 0.3692-0.5046 ( 5790 PWs) bands (ev): -8.6368 -8.6367 -8.4856 -8.4852 -6.8408 -6.8337 -6.8048 -6.7975 -4.1337 -4.1330 0.0973 0.1878 0.2237 0.3101 0.3537 0.3742 2.3134 2.3435 2.4680 2.5064 2.6120 2.6230 2.6562 2.6630 2.8825 2.8914 3.0428 3.0569 3.0959 3.1033 3.2495 3.3094 3.3439 3.3827 4.4334 4.5113 4.6548 4.7027 4.7621 4.7716 4.7915 4.8128 4.8864 4.8948 4.9046 4.9387 5.1102 5.1235 5.2183 5.2267 5.2950 5.3356 5.3529 5.3854 5.8419 5.8493 5.9183 5.9272 6.2331 6.2430 6.2520 6.2843 6.5983 6.6280 8.1277 8.1723 8.5186 8.5339 8.7014 8.7244 10.2786 10.3000 10.4776 10.4934 11.0271 11.0352 k = 0.5829 0.4443 0.3221 ( 5790 PWs) bands (ev): -8.6368 -8.6367 -8.4856 -8.4852 -6.8408 -6.8337 -6.8047 -6.7974 -4.1337 -4.1330 0.0973 0.1878 0.2237 0.3101 0.3537 0.3742 2.3134 2.3434 2.4680 2.5064 2.6120 2.6229 2.6562 2.6631 2.8825 2.8915 3.0428 3.0569 3.0958 3.1032 3.2494 3.3094 3.3439 3.3827 4.4334 4.5113 4.6548 4.7027 4.7621 4.7716 4.7916 4.8128 4.8864 4.8948 4.9046 4.9387 5.1102 5.1235 5.2183 5.2267 5.2950 5.3356 5.3529 5.3854 5.8419 5.8494 5.9183 5.9272 6.2331 6.2430 6.2520 6.2843 6.5983 6.6280 8.1277 8.1723 8.5186 8.5339 8.7013 8.7244 10.2786 10.3000 10.4776 10.4934 11.0271 11.0352 k = 0.5725 0.4453 0.3335 ( 5796 PWs) bands (ev): -8.6361 -8.6359 -8.4860 -8.4857 -6.8350 -6.8294 -6.8034 -6.7977 -4.1437 -4.1431 0.0902 0.1718 0.2167 0.2938 0.3381 0.3543 2.3462 2.3744 2.4888 2.5212 2.6268 2.6379 2.6593 2.6669 2.9106 2.9184 3.0466 3.0600 3.0954 3.1018 3.2189 3.2781 3.3289 3.3677 4.4338 4.5044 4.6582 4.7037 4.7636 4.7735 4.7905 4.8069 4.8838 4.8949 4.9031 4.9314 5.1130 5.1250 5.2158 5.2248 5.3063 5.3405 5.3571 5.3860 5.8545 5.8609 5.9292 5.9367 6.2447 6.2533 6.2603 6.2906 6.6114 6.6385 8.1086 8.1467 8.5163 8.5276 8.6954 8.7128 10.2952 10.3133 10.4565 10.4709 10.9801 10.9887 k = 0.5622 0.4463 0.3449 ( 5796 PWs) bands (ev): -8.6354 -8.6353 -8.4865 -8.4861 -6.8299 -6.8258 -6.8018 -6.7977 -4.1527 -4.1522 0.0848 0.1566 0.2118 0.2796 0.3240 0.3360 2.3771 2.4028 2.5083 2.5340 2.6388 2.6498 2.6630 2.6711 2.9389 2.9460 3.0501 3.0628 3.0949 3.1000 3.1894 3.2454 3.3155 3.3520 4.4353 4.4976 4.6620 4.7040 4.7655 4.7748 4.7892 4.8017 4.8819 4.8950 4.9019 4.9244 5.1156 5.1263 5.2134 5.2225 5.3175 5.3451 5.3605 5.3859 5.8658 5.8710 5.9397 5.9454 6.2548 6.2613 6.2690 6.2960 6.6237 6.6479 8.0899 8.1218 8.5141 8.5219 8.6911 8.7032 10.3117 10.3265 10.4390 10.4516 10.9361 10.9449 k = 0.5518 0.4474 0.3563 ( 5790 PWs) bands (ev): -8.6348 -8.6347 -8.4869 -8.4866 -6.8257 -6.8230 -6.8001 -6.7974 -4.1605 -4.1601 0.0813 0.1425 0.2090 0.2672 0.3117 0.3198 2.4053 2.4274 2.5268 2.5454 2.6483 2.6573 2.6686 2.6753 2.9662 2.9738 3.0532 3.0652 3.0941 3.0979 3.1622 3.2136 3.3024 3.3359 4.4377 4.4910 4.6662 4.7037 4.7676 4.7755 4.7878 4.7973 4.8808 4.8950 4.9009 4.9178 5.1179 5.1274 5.2115 5.2200 5.3282 5.3492 5.3632 5.3852 5.8754 5.8796 5.9494 5.9533 6.2636 6.2677 6.2776 6.3004 6.6350 6.6558 8.0724 8.0987 8.5118 8.5167 8.6883 8.6959 10.3275 10.3389 10.4254 10.4357 10.8960 10.9046 k = 0.5414 0.4484 0.3677 ( 5786 PWs) bands (ev): -8.6344 -8.6343 -8.4872 -8.4870 -6.8223 -6.8209 -6.7984 -6.7969 -4.1670 -4.1667 0.0797 0.1295 0.2082 0.2563 0.3011 0.3059 2.4296 2.4475 2.5443 2.5560 2.6554 2.6609 2.6755 2.6795 2.9913 3.0007 3.0557 3.0672 3.0931 3.0952 3.1386 3.1842 3.2899 3.3195 4.4409 4.4845 4.6706 4.7025 4.7698 4.7756 4.7862 4.7937 4.8808 4.8951 4.9000 4.9117 5.1199 5.1279 5.2101 5.2175 5.3381 5.3530 5.3650 5.3837 5.8833 5.8866 5.9579 5.9601 6.2707 6.2730 6.2853 6.3037 6.6451 6.6622 8.0571 8.0780 8.5095 8.5121 8.6867 8.6908 10.3415 10.3494 10.4161 10.4236 10.8608 10.8689 k = 0.5311 0.4494 0.3791 ( 5784 PWs) bands (ev): -8.6340 -8.6340 -8.4875 -8.4873 -6.8200 -6.8193 -6.7968 -6.7962 -4.1722 -4.1719 0.0798 0.1177 0.2093 0.2466 0.2926 0.2949 2.4492 2.4624 2.5600 2.5658 2.6604 2.6630 2.6815 2.6832 3.0131 3.0254 3.0580 3.0689 3.0903 3.0931 3.1203 3.1582 3.2789 3.3035 4.4448 4.4781 4.6753 4.7004 4.7720 4.7755 4.7847 4.7907 4.8816 4.8950 4.8992 4.9060 5.1218 5.1281 5.2093 5.2152 5.3469 5.3563 5.3662 5.3815 5.8894 5.8919 5.9649 5.9659 6.2763 6.2773 6.2919 6.3058 6.6538 6.6669 8.0449 8.0605 8.5071 8.5083 8.6857 8.6875 10.3524 10.3568 10.4115 10.4158 10.8318 10.8387 k = 0.5207 0.4505 0.3905 ( 5790 PWs) bands (ev): -8.6338 -8.6337 -8.4877 -8.4876 -6.8185 -6.8182 -6.7956 -6.7954 -4.1759 -4.1757 0.0819 0.1074 0.2121 0.2378 0.2862 0.2870 2.4636 2.4722 2.5725 2.5744 2.6636 2.6645 2.6859 2.6864 3.0298 3.0434 3.0630 3.0706 3.0859 3.0924 3.1082 3.1361 3.2707 3.2889 4.4493 4.4718 4.6802 4.6975 4.7739 4.7754 4.7835 4.7881 4.8835 4.8946 4.8986 4.9012 5.1234 5.1278 5.2090 5.2131 5.3545 5.3590 5.3668 5.3784 5.8939 5.8956 5.9699 5.9702 6.2802 6.2805 6.2974 6.3067 6.6608 6.6697 8.0363 8.0467 8.5051 8.5055 8.6852 8.6858 10.3591 10.3607 10.4108 10.4124 10.8102 10.8153 k = 0.5104 0.4515 0.4019 ( 5794 PWs) bands (ev): -8.6336 -8.6336 -8.4878 -8.4878 -6.8177 -6.8176 -6.7949 -6.7949 -4.1781 -4.1780 0.0857 0.0985 0.2167 0.2298 0.2822 0.2823 2.4729 2.4771 2.5804 2.5807 2.6653 2.6654 2.6884 2.6885 3.0403 3.0477 3.0726 3.0736 3.0859 3.0929 3.1009 3.1173 3.2672 3.2770 4.4544 4.4657 4.6850 4.6938 4.7752 4.7756 4.7832 4.7858 4.8862 4.8928 4.8981 4.8984 5.1249 5.1271 5.2093 5.2114 5.3602 5.3611 5.3676 5.3747 5.8967 5.8976 5.9730 5.9730 6.2825 6.2826 6.3016 6.3063 6.6660 6.6705 8.0320 8.0372 8.5037 8.5038 8.6850 8.6850 10.3619 10.3623 10.4119 10.4121 10.7972 10.7999 k = 0.5000 0.4526 0.4133 ( 5798 PWs) bands (ev): -8.6335 -8.6335 -8.4878 -8.4878 -6.8174 -6.8174 -6.7946 -6.7946 -4.1789 -4.1789 0.0913 0.0913 0.2226 0.2226 0.2808 0.2808 2.4774 2.4774 2.5831 2.5831 2.6658 2.6658 2.6892 2.6892 3.0456 3.0456 3.0747 3.0747 3.0946 3.0946 3.1011 3.1011 3.2693 3.2693 4.4598 4.4598 4.6896 4.6896 4.7756 4.7756 4.7840 4.7840 4.8895 4.8895 4.8979 4.8979 5.1261 5.1261 5.2101 5.2101 5.3620 5.3620 5.3705 5.3705 5.8979 5.8979 5.9739 5.9739 6.2833 6.2833 6.3046 6.3046 6.6693 6.6693 8.0323 8.0323 8.5032 8.5032 8.6848 8.6848 10.3626 10.3626 10.4125 10.4125 10.7937 10.7937 k = 0.5000 0.4526 0.4133 ( 5798 PWs) bands (ev): -8.6335 -8.6335 -8.4878 -8.4878 -6.8174 -6.8174 -6.7946 -6.7946 -4.1789 -4.1789 0.0913 0.0913 0.2226 0.2226 0.2808 0.2808 2.4774 2.4774 2.5831 2.5831 2.6658 2.6658 2.6892 2.6892 3.0456 3.0456 3.0747 3.0747 3.0946 3.0946 3.1011 3.1011 3.2693 3.2693 4.4598 4.4598 4.6896 4.6896 4.7756 4.7756 4.7840 4.7840 4.8895 4.8895 4.8979 4.8979 5.1261 5.1261 5.2101 5.2101 5.3620 5.3620 5.3705 5.3705 5.8979 5.8979 5.9739 5.9739 6.2833 6.2833 6.3046 6.3046 6.6693 6.6693 8.0323 8.0323 8.5032 8.5032 8.6848 8.6848 10.3626 10.3626 10.4125 10.4125 10.7937 10.7937 k = 0.4891 0.4427 0.4044 ( 5795 PWs) bands (ev): -8.6335 -8.6335 -8.4883 -8.4883 -6.8172 -6.8172 -6.7945 -6.7944 -4.1785 -4.1785 0.0924 0.0924 0.2239 0.2239 0.2815 0.2821 2.4750 2.4750 2.5802 2.5802 2.6660 2.6660 2.6892 2.6909 3.0256 3.0256 3.0712 3.0712 3.0934 3.0955 3.0996 3.0996 3.2949 3.2949 4.4603 4.4603 4.6901 4.6901 4.7736 4.7774 4.7839 4.7839 4.8898 4.8898 4.8937 4.9018 5.1262 5.1262 5.2107 5.2107 5.3584 5.3666 5.3707 5.3707 5.8962 5.8962 5.9684 5.9757 6.2828 6.2842 6.3048 6.3048 6.6676 6.6676 8.0306 8.0306 8.5033 8.5033 8.6852 8.6862 10.3665 10.3665 10.4158 10.4166 10.7914 10.7914 k = 0.4783 0.4329 0.3954 ( 5801 PWs) bands (ev): -8.6333 -8.6333 -8.4897 -8.4897 -6.8166 -6.8166 -6.7941 -6.7937 -4.1775 -4.1775 0.0957 0.0957 0.2277 0.2277 0.2842 0.2854 2.4680 2.4680 2.5718 2.5719 2.6664 2.6664 2.6906 2.6937 2.9731 2.9731 3.0700 3.0700 3.0920 3.0961 3.0983 3.0983 3.3515 3.3515 4.4618 4.4618 4.6917 4.6918 4.7713 4.7790 4.7836 4.7836 4.8895 4.8907 4.8907 4.9055 5.1264 5.1264 5.2125 5.2125 5.3556 5.3713 5.3713 5.3719 5.8910 5.8910 5.9593 5.9736 6.2829 6.2855 6.3052 6.3052 6.6627 6.6627 8.0257 8.0257 8.5036 8.5036 8.6872 8.6891 10.3784 10.3784 10.4266 10.4280 10.7843 10.7843 k = 0.4674 0.4230 0.3864 ( 5813 PWs) bands (ev): -8.6332 -8.6332 -8.4920 -8.4920 -6.8157 -6.8157 -6.7932 -6.7927 -4.1759 -4.1759 0.1013 0.1013 0.2340 0.2340 0.2889 0.2907 2.4567 2.4567 2.5586 2.5590 2.6669 2.6669 2.6928 2.6972 2.9085 2.9085 3.0710 3.0710 3.0903 3.0964 3.0971 3.0971 3.4189 3.4189 4.4641 4.4642 4.6944 4.6945 4.7687 4.7804 4.7831 4.7831 4.8853 4.8923 4.8923 4.9087 5.1267 5.1267 5.2156 5.2156 5.3536 5.3722 5.3722 5.3778 5.8824 5.8824 5.9468 5.9677 6.2836 6.2871 6.3060 6.3060 6.6544 6.6544 8.0174 8.0174 8.5041 8.5041 8.6906 8.6934 10.3981 10.3981 10.4448 10.4469 10.7728 10.7728 k = 0.4565 0.4132 0.3774 ( 5819 PWs) bands (ev): -8.6330 -8.6330 -8.4951 -8.4951 -6.8144 -6.8144 -6.7920 -6.7913 -4.1737 -4.1737 0.1090 0.1090 0.2427 0.2427 0.2956 0.2980 2.4412 2.4412 2.5412 2.5421 2.6669 2.6669 2.6951 2.7005 2.8408 2.8408 3.0731 3.0731 3.0884 3.0959 3.0959 3.0964 3.4896 3.4896 4.4673 4.4673 4.6982 4.6983 4.7656 4.7817 4.7824 4.7825 4.8814 4.8944 4.8944 4.9114 5.1272 5.1272 5.2201 5.2201 5.3526 5.3735 5.3735 5.3843 5.8707 5.8707 5.9313 5.9582 6.2850 6.2890 6.3071 6.3071 6.6431 6.6431 8.0059 8.0059 8.5047 8.5047 8.6951 8.6988 10.4255 10.4255 10.4704 10.4731 10.7572 10.7572 k = 0.4457 0.4034 0.3684 ( 5807 PWs) bands (ev): -8.6330 -8.6330 -8.4988 -8.4988 -6.8127 -6.8127 -6.7904 -6.7895 -4.1709 -4.1709 0.1189 0.1189 0.2540 0.2540 0.3042 0.3072 2.4220 2.4220 2.5203 2.5218 2.6658 2.6658 2.6972 2.7034 2.7739 2.7739 3.0759 3.0759 3.0863 3.0945 3.0945 3.0959 3.5608 3.5608 4.4711 4.4712 4.7031 4.7032 4.7622 4.7816 4.7817 4.7831 4.8780 4.8971 4.8972 4.9137 5.1277 5.1277 5.2263 5.2263 5.3523 5.3751 5.3751 5.3912 5.8561 5.8561 5.9132 5.9454 6.2870 6.2912 6.3087 6.3088 6.6286 6.6286 7.9911 7.9911 8.5053 8.5053 8.7004 8.7048 10.4605 10.4605 10.5033 10.5066 10.7378 10.7378 k = 0.4348 0.3935 0.3594 ( 5810 PWs) bands (ev): -8.6332 -8.6332 -8.5030 -8.5030 -6.8107 -6.8107 -6.7884 -6.7873 -4.1675 -4.1675 0.1307 0.1307 0.2677 0.2677 0.3147 0.3183 2.3993 2.3993 2.4964 2.4984 2.6593 2.6594 2.6987 2.7056 2.7129 2.7129 3.0792 3.0792 3.0839 3.0931 3.0931 3.0950 3.6311 3.6311 4.4753 4.4754 4.7089 4.7090 4.7583 4.7808 4.7808 4.7841 4.8751 4.9003 4.9004 4.9154 5.1283 5.1283 5.2342 5.2342 5.3527 5.3769 5.3769 5.3983 5.8389 5.8389 5.8927 5.9295 6.2898 6.2936 6.3108 6.3108 6.6112 6.6112 7.9733 7.9733 8.5056 8.5056 8.7061 8.7112 10.5028 10.5028 10.5433 10.5471 10.7150 10.7150 k = 0.4239 0.3837 0.3504 ( 5810 PWs) bands (ev): -8.6340 -8.6340 -8.5074 -8.5074 -6.8083 -6.8083 -6.7861 -6.7848 -4.1637 -4.1637 0.1445 0.1445 0.2838 0.2838 0.3272 0.3314 2.3734 2.3734 2.4696 2.4723 2.6254 2.6254 2.6808 2.6808 2.6995 2.7068 3.0813 3.0822 3.0823 3.0921 3.0922 3.0937 3.6997 3.6997 4.4799 4.4800 4.7157 4.7158 4.7539 4.7798 4.7799 4.7851 4.8727 4.9040 4.9040 4.9167 5.1288 5.1288 5.2441 5.2441 5.3535 5.3789 5.3789 5.4056 5.8194 5.8194 5.8705 5.9110 6.2933 6.2964 6.3135 6.3135 6.5909 6.5909 7.9525 7.9525 8.5055 8.5055 8.7115 8.7173 10.5519 10.5519 10.5904 10.5945 10.6896 10.6896 k = 0.4130 0.3738 0.3415 ( 5798 PWs) bands (ev): -8.6356 -8.6356 -8.5117 -8.5117 -6.8056 -6.8056 -6.7834 -6.7820 -4.1596 -4.1596 0.1602 0.1602 0.3022 0.3022 0.3415 0.3463 2.3446 2.3446 2.4403 2.4437 2.5681 2.5681 2.6740 2.6740 2.6995 2.7072 3.0783 3.0833 3.0833 3.0918 3.0937 3.0938 3.7659 3.7659 4.4845 4.4846 4.7231 4.7233 4.7490 4.7790 4.7790 4.7860 4.8711 4.9080 4.9080 4.9175 5.1294 5.1294 5.2563 5.2563 5.3546 5.3811 5.3811 5.4127 5.7981 5.7981 5.8470 5.8902 6.2975 6.2995 6.3167 6.3167 6.5680 6.5680 7.9291 7.9291 8.5047 8.5047 8.7164 8.7227 10.6064 10.6064 10.6441 10.6485 10.6630 10.6630 k = 0.4022 0.3640 0.3325 ( 5792 PWs) bands (ev): -8.6382 -8.6382 -8.5155 -8.5155 -6.8025 -6.8025 -6.7804 -6.7788 -4.1551 -4.1551 0.1776 0.1776 0.3229 0.3229 0.3575 0.3630 2.3131 2.3131 2.4087 2.4128 2.5096 2.5096 2.6706 2.6707 2.6987 2.7068 3.0751 3.0815 3.0816 3.0894 3.0983 3.0983 3.8293 3.8293 4.4891 4.4892 4.7309 4.7310 4.7438 4.7783 4.7783 4.7867 4.8700 4.9122 4.9122 4.9180 5.1299 5.1299 5.2708 5.2709 5.3556 5.3833 5.3833 5.4196 5.7753 5.7753 5.8226 5.8678 6.3025 6.3030 6.3205 6.3205 6.5425 6.5425 7.9035 7.9035 8.5029 8.5029 8.7201 8.7269 10.6259 10.6259 10.6753 10.6753 10.7042 10.7086 k = 0.3913 0.3542 0.3235 ( 5771 PWs) bands (ev): -8.6422 -8.6422 -8.5186 -8.5186 -6.7991 -6.7991 -6.7771 -6.7753 -4.1504 -4.1504 0.1966 0.1966 0.3458 0.3458 0.3754 0.3814 2.2793 2.2794 2.3750 2.3797 2.4534 2.4534 2.6676 2.6676 2.6973 2.7055 3.0715 3.0786 3.0786 3.0865 3.1045 3.1045 3.8895 3.8895 4.4934 4.4935 4.7382 4.7385 4.7387 4.7780 4.7781 4.7873 4.8697 4.9165 4.9165 4.9184 5.1304 5.1304 5.2878 5.2879 5.3562 5.3856 5.3857 5.4260 5.7515 5.7515 5.7980 5.8441 6.3070 6.3081 6.3250 6.3250 6.5148 6.5148 7.8761 7.8761 8.4999 8.4999 8.7223 8.7295 10.5959 10.5959 10.7408 10.7408 10.7699 10.7742 k = 0.3804 0.3443 0.3145 ( 5762 PWs) bands (ev): -8.6477 -8.6477 -8.5205 -8.5205 -6.7954 -6.7954 -6.7734 -6.7715 -4.1455 -4.1455 0.2172 0.2172 0.3707 0.3707 0.3949 0.4016 2.2436 2.2436 2.3393 2.3446 2.4002 2.4002 2.6642 2.6642 2.6951 2.7034 3.0677 3.0749 3.0749 3.0830 3.1116 3.1117 3.9463 3.9463 4.4975 4.4976 4.7324 4.7454 4.7456 4.7785 4.7786 4.7875 4.8699 4.9185 4.9207 4.9207 5.1308 5.1308 5.3070 5.3071 5.3561 5.3883 5.3884 5.4319 5.7270 5.7270 5.7735 5.8197 6.3116 6.3145 6.3301 6.3301 6.4849 6.4849 7.8476 7.8476 8.4954 8.4954 8.7226 8.7302 10.5623 10.5623 10.8130 10.8130 10.8406 10.8445 k = 0.3696 0.3345 0.3055 ( 5753 PWs) bands (ev): -8.6551 -8.6551 -8.5211 -8.5211 -6.7914 -6.7914 -6.7695 -6.7674 -4.1406 -4.1406 0.2393 0.2393 0.3975 0.3975 0.4161 0.4235 2.2064 2.2064 2.3018 2.3078 2.3503 2.3504 2.6603 2.6603 2.6923 2.7005 3.0635 3.0708 3.0708 3.0790 3.1195 3.1195 3.9994 3.9994 4.5014 4.5015 4.7264 4.7506 4.7508 4.7803 4.7804 4.7876 4.8707 4.9187 4.9245 4.9245 5.1310 5.1310 5.3273 5.3275 5.3550 5.3922 5.3923 5.4368 5.7023 5.7023 5.7497 5.7949 6.3167 6.3216 6.3356 6.3357 6.4533 6.4533 7.8185 7.8185 8.4892 8.4892 8.7206 8.7287 10.5270 10.5270 10.8890 10.8890 10.9153 10.9185 k = 0.3587 0.3247 0.2965 ( 5753 PWs) bands (ev): -8.6642 -8.6642 -8.5203 -8.5203 -6.7871 -6.7871 -6.7652 -6.7631 -4.1357 -4.1357 0.2627 0.2627 0.4260 0.4260 0.4388 0.4469 2.1681 2.1681 2.2627 2.2693 2.3039 2.3039 2.6560 2.6560 2.6890 2.6970 3.0591 3.0662 3.0662 3.0745 3.1281 3.1281 4.0486 4.0486 4.5050 4.5051 4.7202 4.7537 4.7538 4.7837 4.7838 4.7873 4.8719 4.9188 4.9279 4.9279 5.1311 5.1311 5.3462 5.3463 5.3524 5.3995 5.3996 5.4406 5.6779 5.6779 5.7272 5.7702 6.3225 6.3294 6.3412 6.3412 6.4206 6.4206 7.7895 7.7895 8.4811 8.4811 8.7161 8.7246 10.4903 10.4903 10.9673 10.9673 10.9927 10.9949 k = 0.3478 0.3148 0.2875 ( 5741 PWs) bands (ev): -8.6749 -8.6749 -8.5181 -8.5181 -6.7826 -6.7826 -6.7607 -6.7584 -4.1310 -4.1310 0.2874 0.2874 0.4561 0.4562 0.4630 0.4717 2.1290 2.1290 2.2222 2.2294 2.2610 2.2610 2.6512 2.6512 2.6851 2.6929 3.0544 3.0614 3.0614 3.0695 3.1373 3.1373 4.0939 4.0939 4.5086 4.5087 4.7140 4.7547 4.7548 4.7867 4.7883 4.7884 4.8736 4.9191 4.9308 4.9308 5.1311 5.1312 5.3481 5.3588 5.3589 5.4146 5.4147 5.4431 5.6542 5.6542 5.7063 5.7463 6.3290 6.3380 6.3446 6.3446 6.3893 6.3893 7.7613 7.7613 8.4710 8.4710 8.7089 8.7178 10.4523 10.4523 11.0461 11.0461 11.0710 11.0718 k = 0.3370 0.3050 0.2786 ( 5738 PWs) bands (ev): -8.6871 -8.6871 -8.5148 -8.5148 -6.7778 -6.7778 -6.7559 -6.7536 -4.1265 -4.1265 0.3132 0.3132 0.4877 0.4877 0.4886 0.4980 2.0895 2.0895 2.1805 2.1883 2.2219 2.2219 2.6459 2.6459 2.6808 2.6882 3.0495 3.0561 3.0562 3.0641 3.1472 3.1472 4.1349 4.1349 4.5123 4.5124 4.7078 4.7542 4.7543 4.7858 4.7933 4.7934 4.8756 4.9196 4.9331 4.9331 5.1310 5.1310 5.3418 5.3634 5.3636 5.4383 5.4384 5.4439 5.6315 5.6316 5.6875 5.7235 6.3327 6.3328 6.3363 6.3473 6.3724 6.3724 7.7348 7.7348 8.4586 8.4586 8.6988 8.7081 10.4132 10.4132 11.1232 11.1232 11.1472 11.1481 k = 0.3261 0.2951 0.2696 ( 5738 PWs) bands (ev): -8.7005 -8.7005 -8.5104 -8.5104 -6.7728 -6.7728 -6.7509 -6.7484 -4.1223 -4.1223 0.3401 0.3402 0.5155 0.5204 0.5205 0.5256 2.0495 2.0495 2.1377 2.1462 2.1869 2.1869 2.6403 2.6403 2.6761 2.6831 3.0443 3.0506 3.0507 3.0582 3.1577 3.1577 4.1713 4.1713 4.5164 4.5166 4.7016 4.7528 4.7529 4.7846 4.7981 4.7981 4.8779 4.9202 4.9348 4.9348 5.1308 5.1308 5.3331 5.3628 5.3629 5.4427 5.4671 5.4672 5.6105 5.6106 5.6711 5.7024 6.3006 6.3006 6.3444 6.3573 6.3755 6.3755 7.7105 7.7105 8.4439 8.4439 8.6858 8.6956 10.3729 10.3729 11.1960 11.1960 11.2184 11.2214 k = 0.3152 0.2853 0.2606 ( 5753 PWs) bands (ev): -8.7150 -8.7150 -8.5050 -8.5050 -6.7676 -6.7676 -6.7457 -6.7431 -4.1184 -4.1184 0.3680 0.3681 0.5436 0.5542 0.5542 0.5544 2.0089 2.0089 2.0942 2.1033 2.1565 2.1565 2.6344 2.6344 2.6711 2.6775 3.0389 3.0449 3.0449 3.0520 3.1687 3.1687 4.2026 4.2027 4.5213 4.5214 4.6954 4.7508 4.7509 4.7830 4.8021 4.8022 4.8803 4.9209 4.9361 4.9361 5.1304 5.1304 5.3223 5.3589 5.3590 5.4392 5.4980 5.4981 5.5915 5.5916 5.6572 5.6835 6.2628 6.2628 6.3532 6.3680 6.3838 6.3838 7.6891 7.6891 8.4270 8.4270 8.6698 8.6801 10.3314 10.3314 11.2614 11.2614 11.2824 11.2877 k = 0.3043 0.2755 0.2516 ( 5753 PWs) bands (ev): -8.7303 -8.7303 -8.4989 -8.4989 -6.7621 -6.7621 -6.7403 -6.7376 -4.1151 -4.1151 0.3968 0.3968 0.5727 0.5843 0.5889 0.5889 1.9676 1.9676 2.0500 2.0599 2.1311 2.1312 2.6282 2.6282 2.6658 2.6717 3.0334 3.0389 3.0389 3.0455 3.1803 3.1803 4.2284 4.2285 4.5273 4.5275 4.6894 4.7484 4.7485 4.7812 4.8055 4.8055 4.8831 4.9219 4.9372 4.9373 5.1299 5.1299 5.3093 5.3524 5.3525 5.4331 5.5290 5.5290 5.5757 5.5757 5.6458 5.6672 6.2232 6.2232 6.3628 6.3794 6.3938 6.3938 7.6712 7.6712 8.4078 8.4078 8.6508 8.6617 10.2887 10.2887 11.3165 11.3165 11.3364 11.3439 k = 0.2935 0.2656 0.2426 ( 5753 PWs) bands (ev): -8.7462 -8.7462 -8.4922 -8.4922 -6.7566 -6.7566 -6.7347 -6.7320 -4.1122 -4.1122 0.4264 0.4264 0.6027 0.6152 0.6242 0.6242 1.9257 1.9257 2.0054 2.0160 2.1111 2.1111 2.6218 2.6218 2.6603 2.6655 3.0277 3.0328 3.0328 3.0387 3.1924 3.1924 4.2480 4.2480 4.5347 4.5348 4.6834 4.7458 4.7458 4.7791 4.8081 4.8082 4.8860 4.9230 4.9384 4.9385 5.1292 5.1293 5.2943 5.3437 5.3438 5.4242 5.5501 5.5501 5.5719 5.5720 5.6368 5.6539 6.1826 6.1826 6.3733 6.3914 6.4049 6.4049 7.6572 7.6573 8.3863 8.3863 8.6290 8.6403 10.2446 10.2446 11.3588 11.3588 11.3784 11.3878 k = 0.2826 0.2558 0.2336 ( 5768 PWs) bands (ev): -8.7626 -8.7626 -8.4849 -8.4849 -6.7509 -6.7509 -6.7290 -6.7262 -4.1100 -4.1100 0.4566 0.4566 0.6336 0.6469 0.6601 0.6601 1.8832 1.8832 1.9606 1.9720 2.0964 2.0964 2.6153 2.6153 2.6546 2.6592 3.0219 3.0265 3.0265 3.0316 3.2049 3.2049 4.2607 4.2607 4.5433 4.5434 4.6776 4.7429 4.7429 4.7768 4.8103 4.8103 4.8890 4.9242 4.9398 4.9399 5.1284 5.1285 5.2778 5.3330 5.3331 5.4125 5.5438 5.5438 5.5975 5.5976 5.6299 5.6435 6.1413 6.1413 6.3845 6.4040 6.4168 6.4168 7.6476 7.6476 8.3626 8.3626 8.6043 8.6163 10.1991 10.1991 11.3504 11.3504 11.3947 11.3947 k = 0.2717 0.2460 0.2246 ( 5765 PWs) bands (ev): -8.7793 -8.7793 -8.4771 -8.4771 -6.7450 -6.7450 -6.7231 -6.7203 -4.1084 -4.1084 0.4874 0.4874 0.6651 0.6793 0.6964 0.6964 1.8403 1.8403 1.9159 1.9280 2.0871 2.0871 2.6088 2.6088 2.6489 2.6527 3.0160 3.0201 3.0201 3.0244 3.2180 3.2180 4.2662 4.2663 4.5528 4.5528 4.6721 4.7401 4.7401 4.7743 4.8124 4.8125 4.8921 4.9254 4.9418 4.9420 5.1275 5.1276 5.2600 5.3205 5.3206 5.3985 5.5348 5.5348 5.6249 5.6272 5.6273 5.6359 6.0996 6.0997 6.3964 6.4171 6.4293 6.4293 7.6423 7.6423 8.3370 8.3370 8.5769 8.5895 10.1520 10.1520 11.2449 11.2449 11.4094 11.4094 k = 0.2609 0.2361 0.2157 ( 5765 PWs) bands (ev): -8.7962 -8.7962 -8.4690 -8.4690 -6.7391 -6.7391 -6.7171 -6.7143 -4.1074 -4.1074 0.5187 0.5187 0.6972 0.7123 0.7329 0.7329 1.7972 1.7972 1.8713 1.8843 2.0831 2.0831 2.6023 2.6023 2.6432 2.6461 3.0101 3.0137 3.0137 3.0171 3.2315 3.2315 4.2644 4.2644 4.5621 4.5622 4.6667 4.7373 4.7373 4.7718 4.8154 4.8155 4.8953 4.9266 4.9447 4.9449 5.1264 5.1265 5.2414 5.3066 5.3067 5.3823 5.5275 5.5275 5.6214 5.6310 5.6565 5.6566 6.0579 6.0579 6.4090 6.4306 6.4423 6.4424 7.6414 7.6414 8.3095 8.3095 8.5471 8.5602 10.1030 10.1030 11.1394 11.1394 11.4157 11.4157 k = 0.2500 0.2263 0.2067 ( 5765 PWs) bands (ev): -8.8133 -8.8133 -8.4606 -8.4606 -6.7331 -6.7331 -6.7111 -6.7083 -4.1071 -4.1071 0.5504 0.5504 0.7295 0.7456 0.7697 0.7697 1.7543 1.7543 1.8273 1.8411 2.0841 2.0841 2.5958 2.5958 2.6374 2.6395 3.0041 3.0072 3.0072 3.0097 3.2453 3.2453 4.2553 4.2553 4.5703 4.5704 4.6616 4.7347 4.7347 4.7692 4.8198 4.8199 4.8985 4.9277 4.9485 4.9487 5.1252 5.1252 5.2223 5.2916 5.2917 5.3644 5.5220 5.5220 5.6193 5.6281 5.6851 5.6851 6.0162 6.0162 6.4222 6.4445 6.4559 6.4559 7.6445 7.6445 8.2804 8.2804 8.5148 8.5286 10.0519 10.0519 11.0370 11.0370 11.4130 11.4130 k = 0.2391 0.2164 0.1977 ( 5750 PWs) bands (ev): -8.8302 -8.8302 -8.4519 -8.4519 -6.7271 -6.7271 -6.7050 -6.7022 -4.1076 -4.1076 0.5823 0.5823 0.7620 0.7791 0.8066 0.8066 1.7117 1.7117 1.7838 1.7986 2.0898 2.0898 2.5895 2.5895 2.6317 2.6329 2.9982 3.0007 3.0007 3.0023 3.2595 3.2595 4.2391 4.2391 4.5764 4.5764 4.6568 4.7323 4.7323 4.7668 4.8263 4.8265 4.9019 4.9286 4.9535 4.9537 5.1237 5.1237 5.2029 5.2760 5.2760 5.3454 5.5183 5.5183 5.6183 5.6271 5.7129 5.7130 5.9748 5.9748 6.4360 6.4588 6.4698 6.4698 7.6511 7.6511 8.2499 8.2499 8.4805 8.4949 9.9983 9.9983 10.9390 10.9390 11.4028 11.4028 k = 0.2283 0.2066 0.1887 ( 5750 PWs) bands (ev): -8.8471 -8.8471 -8.4432 -8.4432 -6.7210 -6.7210 -6.6990 -6.6962 -4.1087 -4.1087 0.6144 0.6144 0.7944 0.8126 0.8436 0.8436 1.6697 1.6697 1.7413 1.7570 2.1000 2.1000 2.5834 2.5834 2.6261 2.6264 2.9923 2.9942 2.9943 2.9948 3.2739 3.2739 4.2159 4.2160 4.5797 4.5798 4.6523 4.7300 4.7300 4.7644 4.8351 4.8353 4.9051 4.9291 4.9598 4.9600 5.1219 5.1219 5.1836 5.2599 5.2599 5.3255 5.5162 5.5162 5.6182 5.6274 5.7404 5.7404 5.9340 5.9341 6.4501 6.4731 6.4840 6.4840 7.6607 7.6607 8.2185 8.2185 8.4443 8.4593 9.9416 9.9416 10.8463 10.8463 11.3867 11.3867 k = 0.2174 0.1968 0.1797 ( 5750 PWs) bands (ev): -8.8637 -8.8637 -8.4343 -8.4343 -6.7150 -6.7150 -6.6929 -6.6901 -4.1104 -4.1104 0.6465 0.6465 0.8266 0.8459 0.8805 0.8805 1.6285 1.6285 1.6998 1.7167 2.1143 2.1143 2.5775 2.5775 2.6201 2.6207 2.9864 2.9874 2.9878 2.9878 3.2886 3.2886 4.1861 4.1861 4.5805 4.5806 4.6482 4.7277 4.7277 4.7623 4.8460 4.8461 4.9083 4.9292 4.9675 4.9677 5.1196 5.1197 5.1645 5.2436 5.2436 5.3049 5.5155 5.5155 5.6189 5.6290 5.7676 5.7676 5.8944 5.8944 6.4645 6.4876 6.4983 6.4983 7.6722 7.6722 8.1866 8.1866 8.4065 8.4221 9.8815 9.8815 10.7600 10.7600 11.3658 11.3658 k = 0.2065 0.1869 0.1707 ( 5744 PWs) bands (ev): -8.8800 -8.8800 -8.4254 -8.4254 -6.7091 -6.7091 -6.6869 -6.6841 -4.1128 -4.1128 0.6785 0.6786 0.8582 0.8787 0.9174 0.9174 1.5885 1.5885 1.6597 1.6777 2.1324 2.1324 2.5719 2.5719 2.6140 2.6155 2.9801 2.9806 2.9815 2.9815 3.3034 3.3034 4.1498 4.1498 4.5791 4.5792 4.6445 4.7254 4.7254 4.7604 4.8579 4.8581 4.9115 4.9288 4.9768 4.9770 5.1170 5.1170 5.1459 5.2276 5.2276 5.2840 5.5163 5.5163 5.6204 5.6315 5.7935 5.7936 5.8574 5.8574 6.4792 6.5021 6.5126 6.5126 7.6848 7.6848 8.1546 8.1546 8.3674 8.3835 9.8173 9.8174 10.6812 10.6812 11.3411 11.3411 k = 0.1957 0.1771 0.1617 ( 5756 PWs) bands (ev): -8.8959 -8.8959 -8.4165 -8.4165 -6.7032 -6.7032 -6.6809 -6.6782 -4.1158 -4.1158 0.7104 0.7104 0.8890 0.9108 0.9542 0.9542 1.5497 1.5498 1.6211 1.6404 2.1538 2.1538 2.5667 2.5667 2.6082 2.6105 2.9730 2.9749 2.9752 2.9753 3.3183 3.3183 4.1074 4.1074 4.5763 4.5763 4.6413 4.7232 4.7233 4.7589 4.8698 4.8701 4.9145 4.9277 4.9878 4.9880 5.1137 5.1138 5.1278 5.2120 5.2121 5.2629 5.5182 5.5182 5.6225 5.6347 5.8012 5.8012 5.8409 5.8409 6.4940 6.5164 6.5270 6.5270 7.6973 7.6973 8.1232 8.1232 8.3273 8.3438 9.7488 9.7488 10.6108 10.6108 11.3136 11.3136 k = 0.1848 0.1672 0.1528 ( 5768 PWs) bands (ev): -8.9114 -8.9114 -8.4077 -8.4077 -6.6974 -6.6974 -6.6751 -6.6724 -4.1194 -4.1194 0.7419 0.7420 0.9188 0.9419 0.9907 0.9907 1.5126 1.5126 1.5844 1.6050 2.1781 2.1781 2.5618 2.5618 2.6026 2.6058 2.9660 2.9691 2.9691 2.9693 3.3332 3.3332 4.0594 4.0594 4.5725 4.5726 4.6387 4.7213 4.7213 4.7578 4.8810 4.8812 4.9176 4.9259 5.0003 5.0005 5.1096 5.1096 5.1106 5.1973 5.1973 5.2416 5.5214 5.5214 5.6252 5.6387 5.7713 5.7714 5.8647 5.8647 6.5087 6.5305 6.5412 6.5412 7.7084 7.7084 8.0932 8.0932 8.2866 8.3034 9.6759 9.6759 10.5495 10.5495 11.2839 11.2839 k = 0.1739 0.1574 0.1438 ( 5762 PWs) bands (ev): -8.9263 -8.9263 -8.3990 -8.3990 -6.6918 -6.6918 -6.6693 -6.6668 -4.1234 -4.1234 0.7730 0.7730 0.9472 0.9717 1.0268 1.0268 1.4774 1.4774 1.5498 1.5718 2.2051 2.2051 2.5574 2.5574 2.5975 2.6014 2.9592 2.9632 2.9632 2.9638 3.3480 3.3480 4.0064 4.0064 4.5683 4.5684 4.6366 4.7196 4.7196 4.7572 4.8908 4.8910 4.9206 4.9232 5.0139 5.0141 5.0943 5.1046 5.1046 5.1838 5.1839 5.2204 5.5256 5.5257 5.6284 5.6431 5.7364 5.7364 5.8972 5.8972 6.5233 6.5443 6.5551 6.5551 7.7168 7.7168 8.0654 8.0654 8.2455 8.2626 9.5986 9.5986 10.4975 10.4975 11.2527 11.2527 k = 0.1630 0.1476 0.1348 ( 5741 PWs) bands (ev): -8.9407 -8.9407 -8.3905 -8.3905 -6.6863 -6.6863 -6.6638 -6.6613 -4.1278 -4.1278 0.8034 0.8034 0.9738 0.9997 1.0621 1.0621 1.4445 1.4445 1.5177 1.5411 2.2344 2.2344 2.5535 2.5535 2.5927 2.5974 2.9528 2.9575 2.9575 2.9585 3.3627 3.3627 3.9489 3.9489 4.5640 4.5641 4.6353 4.7184 4.7184 4.7572 4.8992 4.8993 4.9194 4.9236 5.0275 5.0277 5.0791 5.0986 5.0987 5.1721 5.1721 5.1992 5.5309 5.5310 5.6323 5.6481 5.7019 5.7019 5.9331 5.9331 6.5377 6.5578 6.5687 6.5687 7.7213 7.7213 8.0408 8.0409 8.2045 8.2217 9.5176 9.5176 10.4549 10.4549 11.2207 11.2207 k = 0.1522 0.1377 0.1258 ( 5747 PWs) bands (ev): -8.9543 -8.9543 -8.3823 -8.3823 -6.6810 -6.6810 -6.6584 -6.6561 -4.1325 -4.1325 0.8329 0.8329 0.9984 1.0257 1.0963 1.0963 1.4145 1.4145 1.4884 1.5131 2.2655 2.2655 2.5500 2.5500 2.5884 2.5937 2.9465 2.9519 2.9519 2.9532 3.3772 3.3772 3.8876 3.8876 4.5598 4.5599 4.6347 4.7177 4.7178 4.7578 4.9058 4.9060 4.9145 4.9264 5.0396 5.0398 5.0651 5.0924 5.0924 5.1625 5.1625 5.1780 5.5370 5.5370 5.6365 5.6533 5.6687 5.6687 5.9719 5.9720 6.5516 6.5706 6.5818 6.5818 7.7207 7.7207 8.0202 8.0202 8.1640 8.1811 9.4338 9.4338 10.4212 10.4212 11.1884 11.1884 k = 0.1413 0.1279 0.1168 ( 5756 PWs) bands (ev): -8.9673 -8.9673 -8.3744 -8.3744 -6.6760 -6.6760 -6.6533 -6.6510 -4.1374 -4.1374 0.8614 0.8614 1.0205 1.0490 1.1285 1.1285 1.3880 1.3881 1.4623 1.4883 2.2982 2.2982 2.5469 2.5469 2.5845 2.5903 2.9407 2.9466 2.9466 2.9482 3.3913 3.3913 3.8233 3.8233 4.5557 4.5558 4.6348 4.7176 4.7177 4.7590 4.9083 4.9112 4.9113 4.9291 5.0471 5.0473 5.0525 5.0880 5.0881 5.1550 5.1550 5.1570 5.5438 5.5438 5.6372 5.6372 5.6412 5.6586 6.0136 6.0136 6.5651 6.5829 6.5943 6.5943 7.7145 7.7145 8.0038 8.0038 8.1242 8.1412 9.3480 9.3480 10.3959 10.3959 11.1562 11.1562 k = 0.1304 0.1181 0.1078 ( 5759 PWs) bands (ev): -8.9795 -8.9795 -8.3668 -8.3668 -6.6712 -6.6712 -6.6484 -6.6463 -4.1425 -4.1425 0.8885 0.8885 1.0399 1.0692 1.1574 1.1574 1.3667 1.3667 1.4398 1.4668 2.3322 2.3322 2.5444 2.5444 2.5811 2.5873 2.9351 2.9415 2.9415 2.9434 3.4050 3.4050 3.7565 3.7565 4.5520 4.5520 4.6358 4.7183 4.7183 4.7607 4.9009 4.9152 4.9153 4.9317 5.0414 5.0463 5.0464 5.0891 5.0892 5.1362 5.1501 5.1501 5.5509 5.5510 5.6076 5.6076 5.6462 5.6642 6.0580 6.0580 6.5780 6.5944 6.6062 6.6062 7.7030 7.7030 7.9913 7.9913 8.0856 8.1023 9.2616 9.2616 10.3781 10.3781 11.1242 11.1248 k = 0.1196 0.1082 0.0988 ( 5771 PWs) bands (ev): -8.9909 -8.9909 -8.3596 -8.3596 -6.6666 -6.6666 -6.6437 -6.6418 -4.1476 -4.1476 0.9141 0.9141 1.0560 1.0858 1.1805 1.1805 1.3527 1.3527 1.4215 1.4490 2.3674 2.3674 2.5423 2.5423 2.5781 2.5847 2.9300 2.9367 2.9367 2.9387 3.4181 3.4181 3.6880 3.6880 4.5485 4.5486 4.6376 4.7196 4.7197 4.7631 4.8924 4.9180 4.9181 4.9341 5.0316 5.0383 5.0385 5.0942 5.0943 5.1156 5.1475 5.1476 5.5578 5.5578 5.5807 5.5807 5.6514 5.6696 6.1046 6.1046 6.5902 6.6052 6.6173 6.6173 7.6871 7.6871 7.9819 7.9819 8.0485 8.0647 9.1757 9.1757 10.3669 10.3669 11.0933 11.0940 k = 0.1087 0.0984 0.0899 ( 5759 PWs) bands (ev): -9.0014 -9.0014 -8.3529 -8.3529 -6.6624 -6.6624 -6.6394 -6.6376 -4.1526 -4.1526 0.9378 0.9378 1.0689 1.0984 1.1949 1.1950 1.3489 1.3490 1.4076 1.4350 2.4036 2.4036 2.5407 2.5407 2.5756 2.5823 2.9253 2.9322 2.9322 2.9343 3.4305 3.4306 3.6185 3.6185 4.5454 4.5454 4.6404 4.7218 4.7219 4.7659 4.8833 4.9195 4.9196 4.9364 5.0233 5.0274 5.0275 5.0954 5.0992 5.0992 5.1477 5.1477 5.5516 5.5516 5.5692 5.5692 5.6569 5.6751 6.1532 6.1532 6.6016 6.6152 6.6276 6.6276 7.6682 7.6682 7.9741 7.9741 8.0134 8.0289 9.0918 9.0918 10.3614 10.3614 11.0639 11.0643 k = 0.0978 0.0885 0.0809 ( 5768 PWs) bands (ev): -9.0111 -9.0111 -8.3466 -8.3466 -6.6585 -6.6585 -6.6354 -6.6337 -4.1575 -4.1575 0.9594 0.9594 1.0784 1.1068 1.1992 1.1992 1.3567 1.3567 1.3983 1.4246 2.4405 2.4405 2.5395 2.5395 2.5736 2.5803 2.9210 2.9280 2.9280 2.9300 3.4421 3.4421 3.5488 3.5488 4.5426 4.5426 4.6442 4.7248 4.7248 4.7687 4.8738 4.9195 4.9196 4.9384 5.0158 5.0159 5.0161 5.0757 5.1020 5.1021 5.1503 5.1503 5.5296 5.5296 5.5758 5.5758 5.6625 5.6802 6.2029 6.2029 6.6121 6.6242 6.6370 6.6370 7.6476 7.6476 7.9669 7.9669 7.9806 7.9952 9.0110 9.0110 10.3605 10.3605 11.0365 11.0365 k = 0.0870 0.0787 0.0719 ( 5771 PWs) bands (ev): -9.0198 -9.0198 -8.3409 -8.3409 -6.6549 -6.6549 -6.6318 -6.6302 -4.1622 -4.1622 0.9785 0.9785 1.0848 1.1112 1.1959 1.1959 1.3732 1.3732 1.3932 1.4177 2.4780 2.4780 2.5389 2.5389 2.5720 2.5786 2.9173 2.9242 2.9242 2.9260 3.4510 3.4510 3.4810 3.4810 4.5401 4.5401 4.6489 4.7286 4.7286 4.7713 4.8648 4.9179 4.9180 4.9399 5.0048 5.0048 5.0100 5.0567 5.1027 5.1028 5.1546 5.1547 5.5088 5.5088 5.5832 5.5832 5.6682 5.6851 6.2530 6.2531 6.6217 6.6323 6.6455 6.6455 7.6266 7.6266 7.9504 7.9591 7.9591 7.9639 8.9347 8.9347 10.3634 10.3634 11.0111 11.0113 k = 0.0761 0.0689 0.0629 ( 5759 PWs) bands (ev): -9.0276 -9.0276 -8.3358 -8.3358 -6.6517 -6.6517 -6.6285 -6.6271 -4.1665 -4.1665 0.9951 0.9951 1.0886 1.1122 1.1889 1.1889 1.3917 1.3942 1.3942 1.4137 2.5150 2.5150 2.5397 2.5398 2.5709 2.5771 2.9140 2.9208 2.9208 2.9223 3.4083 3.4083 3.4651 3.4651 4.5379 4.5380 4.6546 4.7331 4.7331 4.7728 4.8574 4.9145 4.9145 4.9409 4.9952 4.9953 5.0048 5.0387 5.1020 5.1020 5.1597 5.1598 5.4904 5.4904 5.5904 5.5904 5.6737 5.6895 6.3025 6.3026 6.6303 6.6394 6.6530 6.6530 7.6062 7.6062 7.9231 7.9354 7.9504 7.9504 8.8643 8.8643 10.3689 10.3689 10.9882 10.9885 k = 0.0652 0.0590 0.0539 ( 5736 PWs) bands (ev): -9.0344 -9.0344 -8.3312 -8.3312 -6.6489 -6.6489 -6.6255 -6.6244 -4.1705 -4.1705 1.0087 1.0087 1.0902 1.1107 1.1813 1.1813 1.3930 1.4120 1.4162 1.4162 2.5345 2.5345 2.5588 2.5588 2.5701 2.5758 2.9113 2.9178 2.9178 2.9190 3.3422 3.3422 3.4733 3.4733 4.5361 4.5362 4.6614 4.7382 4.7382 4.7721 4.8527 4.9091 4.9091 4.9410 4.9877 4.9878 5.0003 5.0221 5.1005 5.1005 5.1648 5.1648 5.4744 5.4744 5.5971 5.5971 5.6791 5.6933 6.3501 6.3501 6.6379 6.6455 6.6597 6.6597 7.5871 7.5871 7.8990 7.9099 7.9404 7.9404 8.8010 8.8010 10.3761 10.3761 10.9680 10.9684 k = 0.0543 0.0492 0.0449 ( 5745 PWs) bands (ev): -9.0402 -9.0402 -8.3273 -8.3273 -6.6465 -6.6465 -6.6230 -6.6221 -4.1739 -4.1739 1.0194 1.0194 1.0905 1.1075 1.1746 1.1746 1.3960 1.4118 1.4373 1.4373 2.5358 2.5358 2.5696 2.5747 2.5962 2.5962 2.9091 2.9152 2.9152 2.9159 3.2784 3.2784 3.4808 3.4808 4.5346 4.5346 4.6690 4.7437 4.7437 4.7683 4.8518 4.9020 4.9020 4.9392 4.9822 4.9822 4.9964 5.0076 5.0987 5.0987 5.1693 5.1694 5.4608 5.4608 5.6030 5.6031 5.6840 5.6965 6.3944 6.3944 6.6443 6.6506 6.6653 6.6653 7.5700 7.5700 7.8783 7.8876 7.9293 7.9293 8.7459 8.7459 10.3841 10.3841 10.9507 10.9511 k = 0.0435 0.0394 0.0359 ( 5739 PWs) bands (ev): -9.0449 -9.0449 -8.3241 -8.3241 -6.6446 -6.6446 -6.6209 -6.6202 -4.1769 -4.1769 1.0273 1.0273 1.0901 1.1036 1.1696 1.1696 1.3998 1.4123 1.4560 1.4560 2.5361 2.5361 2.5695 2.5737 2.6342 2.6342 2.9074 2.9130 2.9130 2.9132 3.2186 3.2187 3.4872 3.4872 4.5333 4.5333 4.6775 4.7495 4.7495 4.7615 4.8550 4.8941 4.8941 4.9350 4.9784 4.9784 4.9929 4.9962 5.0968 5.0968 5.1732 5.1733 5.4497 5.4498 5.6081 5.6081 5.6886 5.6989 6.4338 6.4338 6.6497 6.6547 6.6700 6.6700 7.5554 7.5554 7.8613 7.8689 7.9178 7.9178 8.6999 8.6999 10.3919 10.3919 10.9364 10.9368 k = 0.0326 0.0295 0.0270 ( 5739 PWs) bands (ev): -9.0486 -9.0486 -8.3216 -8.3216 -6.6430 -6.6430 -6.6193 -6.6187 -4.1792 -4.1792 1.0326 1.0326 1.0895 1.0995 1.1661 1.1661 1.4038 1.4131 1.4715 1.4715 2.5362 2.5362 2.5695 2.5729 2.6704 2.6704 2.9063 2.9108 2.9113 2.9113 3.1650 3.1650 3.4923 3.4923 4.5323 4.5324 4.6869 4.7522 4.7550 4.7550 4.8616 4.8862 4.8863 4.9276 4.9760 4.9760 4.9888 4.9899 5.0952 5.0952 5.1763 5.1763 5.4411 5.4411 5.6122 5.6122 5.6926 5.7006 6.4667 6.4667 6.6540 6.6577 6.6738 6.6738 7.5436 7.5436 7.8482 7.8540 7.9069 7.9069 8.6637 8.6637 10.3989 10.3989 10.9252 10.9255 k = 0.0217 0.0197 0.0180 ( 5727 PWs) bands (ev): -9.0513 -9.0513 -8.3198 -8.3198 -6.6419 -6.6419 -6.6181 -6.6177 -4.1809 -4.1809 1.0359 1.0359 1.0892 1.0958 1.1641 1.1641 1.4074 1.4135 1.4830 1.4830 2.5363 2.5363 2.5698 2.5721 2.7020 2.7020 2.9058 2.9088 2.9102 2.9102 3.1205 3.1205 3.4960 3.4960 4.5317 4.5317 4.6971 4.7417 4.7597 4.7597 4.8707 4.8795 4.8795 4.9174 4.9746 4.9746 4.9850 4.9874 5.0939 5.0939 5.1785 5.1786 5.4350 5.4350 5.6152 5.6152 5.6960 5.7014 6.4915 6.4915 6.6573 6.6597 6.6767 6.6767 7.5350 7.5350 7.8390 7.8429 7.8979 7.8979 8.6377 8.6377 10.4044 10.4044 10.9171 10.9173 k = 0.0109 0.0098 0.0090 ( 5715 PWs) bands (ev): -9.0529 -9.0529 -8.3187 -8.3187 -6.6412 -6.6412 -6.6173 -6.6171 -4.1819 -4.1819 1.0377 1.0377 1.0896 1.0928 1.1631 1.1631 1.4103 1.4134 1.4901 1.4901 2.5364 2.5364 2.5702 2.5714 2.7247 2.7247 2.9058 2.9073 2.9095 2.9095 3.0899 3.0899 3.4982 3.4982 4.5313 4.5313 4.7078 4.7304 4.7630 4.7630 4.8750 4.8750 4.8815 4.9056 4.9740 4.9740 4.9838 4.9855 5.0931 5.0931 5.1799 5.1799 5.4314 5.4314 5.6171 5.6171 5.6986 5.7013 6.5070 6.5070 6.6595 6.6607 6.6784 6.6784 7.5297 7.5297 7.8338 7.8358 7.8919 7.8919 8.6221 8.6221 10.4079 10.4079 10.9123 10.9124 k = 0.0000 0.0000 0.0000 ( 5715 PWs) bands (ev): -9.0534 -9.0534 -8.3183 -8.3183 -6.6410 -6.6410 -6.6169 -6.6169 -4.1823 -4.1823 1.0382 1.0382 1.0907 1.0907 1.1629 1.1629 1.4123 1.4123 1.4925 1.4925 2.5364 2.5364 2.5707 2.5707 2.7332 2.7332 2.9063 2.9063 2.9093 2.9093 3.0788 3.0788 3.4990 3.4990 4.5312 4.5312 4.7190 4.7190 4.7641 4.7641 4.8734 4.8734 4.8933 4.8933 4.9737 4.9737 4.9842 4.9842 5.0929 5.0929 5.1803 5.1803 5.4302 5.4302 5.6177 5.6177 5.7004 5.7004 6.5123 6.5123 6.6606 6.6606 6.6790 6.6790 7.5279 7.5279 7.8327 7.8327 7.8897 7.8897 8.6169 8.6169 10.4091 10.4091 10.9107 10.9107 k = 0.0000 0.0000 0.0000 ( 5715 PWs) bands (ev): -9.0534 -9.0534 -8.3183 -8.3183 -6.6410 -6.6410 -6.6169 -6.6169 -4.1823 -4.1823 1.0382 1.0382 1.0907 1.0907 1.1629 1.1629 1.4123 1.4123 1.4925 1.4925 2.5364 2.5364 2.5707 2.5707 2.7332 2.7332 2.9063 2.9063 2.9093 2.9093 3.0788 3.0788 3.4990 3.4990 4.5312 4.5312 4.7190 4.7190 4.7641 4.7641 4.8734 4.8734 4.8933 4.8933 4.9737 4.9737 4.9842 4.9842 5.0929 5.0929 5.1803 5.1803 5.4302 5.4302 5.6177 5.6177 5.7004 5.7004 6.5123 6.5123 6.6606 6.6606 6.6790 6.6790 7.5279 7.5279 7.8327 7.8327 7.8897 7.8897 8.6169 8.6169 10.4091 10.4091 10.9107 10.9107 k = 0.0115-0.0011-0.0126 ( 5727 PWs) bands (ev): -9.0529 -9.0528 -8.3187 -8.3186 -6.6417 -6.6412 -6.6174 -6.6174 -4.1813 -4.1813 1.0322 1.0408 1.0901 1.0902 1.1642 1.1648 1.4109 1.4112 1.4889 1.4974 2.5356 2.5362 2.5699 2.5700 2.7336 2.7390 2.9050 2.9057 2.9082 2.9098 3.0778 3.0815 3.4976 3.4988 4.5296 4.5327 4.7189 4.7190 4.7628 4.7667 4.8706 4.8754 4.8936 4.8937 4.9734 4.9734 4.9833 4.9833 5.0910 5.0942 5.1797 5.1831 5.4267 5.4320 5.6167 5.6177 5.6999 5.7001 6.5106 6.5133 6.6567 6.6575 6.6752 6.6790 7.5273 7.5322 7.8333 7.8334 7.8948 7.8952 8.6159 8.6196 10.4050 10.4174 10.9147 10.9150 k = 0.0229-0.0023-0.0252 ( 5741 PWs) bands (ev): -9.0512 -9.0510 -8.3197 -8.3196 -6.6434 -6.6425 -6.6188 -6.6185 -4.1786 -4.1784 1.0229 1.0403 1.0882 1.0887 1.1682 1.1701 1.4064 1.4087 1.4875 1.5025 2.5335 2.5349 2.5676 2.5680 2.7400 2.7509 2.9004 2.9039 2.9080 2.9095 3.0783 3.0858 3.4946 3.4971 4.5280 4.5342 4.7183 4.7191 4.7628 4.7702 4.8676 4.8765 4.8941 4.8949 4.9723 4.9726 4.9811 4.9812 5.0888 5.0946 5.1813 5.1878 5.4218 5.4321 5.6148 5.6165 5.6986 5.6998 6.5082 6.5134 6.6438 6.6487 6.6696 6.6744 7.5305 7.5396 7.8349 7.8354 7.9107 7.9113 8.6168 8.6240 10.4054 10.4298 10.9262 10.9278 k = 0.0344-0.0034-0.0378 ( 5747 PWs) bands (ev): -9.0484 -9.0480 -8.3215 -8.3213 -6.6463 -6.6447 -6.6210 -6.6201 -4.1739 -4.1737 1.0103 1.0368 1.0857 1.0868 1.1730 1.1789 1.3991 1.4058 1.4886 1.5072 2.5302 2.5325 2.5640 2.5654 2.7515 2.7679 2.8940 2.9003 2.9080 2.9093 3.0802 3.0916 3.4902 3.4938 4.5265 4.5358 4.7171 4.7197 4.7642 4.7747 4.8643 4.8765 4.8947 4.8970 4.9696 4.9714 4.9780 4.9786 5.0865 5.0939 5.1852 5.1941 5.4154 5.4308 5.6110 5.6141 5.6968 5.7006 6.5051 6.5124 6.6231 6.6334 6.6616 6.6676 7.5368 7.5490 7.8371 7.8387 7.9373 7.9383 8.6194 8.6300 10.4104 10.4457 10.9451 10.9477 k = 0.0459-0.0046-0.0505 ( 5763 PWs) bands (ev): -9.0445 -9.0439 -8.3239 -8.3237 -6.6508 -6.6483 -6.6237 -6.6219 -4.1676 -4.1673 0.9949 1.0305 1.0827 1.0842 1.1776 1.1905 1.3901 1.4037 1.4916 1.5111 2.5251 2.5289 2.5598 2.5627 2.7669 2.7885 2.8872 2.8955 2.9080 2.9097 3.0830 3.0984 3.4843 3.4890 4.5250 4.5373 4.7152 4.7210 4.7668 4.7798 4.8608 4.8756 4.8951 4.9000 4.9646 4.9695 4.9747 4.9767 5.0842 5.0922 5.1911 5.2017 5.4079 5.4280 5.6043 5.6101 5.6950 5.7032 6.5009 6.5093 6.5971 6.6114 6.6507 6.6599 7.5451 7.5597 7.8403 7.8434 7.9739 7.9762 8.6239 8.6376 10.4201 10.4649 10.9715 10.9750 k = 0.0573-0.0057-0.0631 ( 5775 PWs) bands (ev): -9.0394 -9.0386 -8.3270 -8.3268 -6.6570 -6.6532 -6.6267 -6.6235 -4.1595 -4.1592 0.9771 1.0216 1.0792 1.0808 1.1812 1.2043 1.3803 1.4035 1.4961 1.5146 2.5184 2.5237 2.5555 2.5600 2.7837 2.8086 2.8836 2.8913 2.9083 2.9109 3.0863 3.1060 3.4769 3.4827 4.5238 4.5390 4.7126 4.7230 4.7704 4.7855 4.8573 4.8738 4.8953 4.9033 4.9578 4.9668 4.9721 4.9754 5.0817 5.0897 5.1985 5.2102 5.3994 5.4239 5.5944 5.6042 5.6944 5.7082 6.4953 6.5024 6.5689 6.5835 6.6382 6.6508 7.5544 7.5713 7.8449 7.8500 8.0198 8.0238 8.6303 8.6467 10.4341 10.4870 11.0049 11.0096 k = 0.0688-0.0069-0.0757 ( 5781 PWs) bands (ev): -9.0332 -9.0323 -8.3308 -8.3305 -6.6649 -6.6597 -6.6296 -6.6250 -4.1500 -4.1496 0.9573 1.0101 1.0745 1.0772 1.1834 1.2198 1.3704 1.4060 1.5015 1.5180 2.5102 2.5169 2.5514 2.5576 2.7982 2.8197 2.8896 2.8908 2.9096 2.9145 3.0898 3.1140 3.4682 3.4750 4.5228 4.5408 4.7095 4.7258 4.7746 4.7918 4.8537 4.8714 4.8950 4.9068 4.9498 4.9638 4.9705 4.9746 5.0788 5.0870 5.2070 5.2194 5.3902 5.4188 5.5818 5.5957 5.6955 5.7154 6.4865 6.4881 6.5434 6.5515 6.6247 6.6403 7.5639 7.5838 7.8513 7.8589 8.0738 8.0797 8.6386 8.6572 10.4524 10.5118 11.0453 11.0513 k = 0.0802-0.0080-0.0883 ( 5783 PWs) bands (ev): -9.0259 -9.0249 -8.3352 -8.3348 -6.6743 -6.6679 -6.6323 -6.6263 -4.1390 -4.1387 0.9358 0.9960 1.0680 1.0733 1.1841 1.2362 1.3611 1.4122 1.5076 1.5223 2.5006 2.5084 2.5478 2.5551 2.8049 2.8172 2.8952 2.9011 2.9154 2.9291 3.0932 3.1222 3.4581 3.4658 4.5221 4.5428 4.7060 4.7294 4.7792 4.7986 4.8501 4.8683 4.8941 4.9101 4.9414 4.9612 4.9696 4.9743 5.0753 5.0847 5.2162 5.2292 5.3806 5.4129 5.5672 5.5846 5.6987 5.7246 6.4601 6.4746 6.5184 6.5248 6.6109 6.6288 7.5736 7.5971 7.8598 7.8703 8.1346 8.1424 8.6488 8.6692 10.4746 10.5388 11.0920 11.0998 k = 0.0917-0.0092-0.1009 ( 5781 PWs) bands (ev): -9.0175 -9.0164 -8.3403 -8.3398 -6.6851 -6.6774 -6.6350 -6.6276 -4.1269 -4.1265 0.9132 0.9791 1.0602 1.0688 1.1832 1.2518 1.3536 1.4222 1.5140 1.5283 2.4897 2.4983 2.5446 2.5527 2.8011 2.8077 2.9000 2.9046 2.9325 2.9610 3.0966 3.1305 3.4468 3.4553 4.5218 4.5450 4.7022 4.7338 4.7838 4.8055 4.8467 4.8645 4.8924 4.9128 4.9328 4.9596 4.9694 4.9746 5.0709 5.0832 5.2258 5.2392 5.3709 5.4065 5.5512 5.5714 5.7038 5.7353 6.4237 6.4511 6.4911 6.5096 6.5975 6.6168 7.5836 7.6115 7.8708 7.8842 8.2009 8.2104 8.6612 8.6829 10.5002 10.5680 11.1444 11.1546 k = 0.1032-0.0103-0.1135 ( 5785 PWs) bands (ev): -9.0082 -9.0069 -8.3459 -8.3454 -6.6970 -6.6882 -6.6375 -6.6289 -4.1137 -4.1133 0.8895 0.9597 1.0514 1.0636 1.1808 1.2632 1.3509 1.4359 1.5209 1.5364 2.4776 2.4868 2.5417 2.5502 2.7892 2.7966 2.9019 2.9056 2.9596 3.0004 3.0999 3.1389 3.4344 3.4437 4.5219 4.5475 4.6980 4.7389 4.7883 4.8123 4.8435 4.8602 4.8896 4.9147 4.9246 4.9590 4.9697 4.9762 5.0660 5.0826 5.2354 5.2494 5.3613 5.3998 5.5344 5.5566 5.7106 5.7470 6.3825 6.4152 6.4713 6.4934 6.5852 6.6047 7.5946 7.6271 7.8843 7.9007 8.2711 8.2825 8.6761 8.6982 10.5289 10.5991 11.2017 11.2150 k = 0.1146-0.0114-0.1261 ( 5787 PWs) bands (ev): -8.9978 -8.9964 -8.3522 -8.3516 -6.7098 -6.7001 -6.6400 -6.6303 -4.0998 -4.0993 0.8650 0.9381 1.0420 1.0576 1.1770 1.2657 1.3573 1.4528 1.5291 1.5465 2.4643 2.4739 2.5391 2.5476 2.7740 2.7838 2.9026 2.9061 2.9912 3.0416 3.1046 3.1479 3.4212 3.4312 4.5227 4.5504 4.6936 4.7445 4.7926 4.8180 4.8414 4.8555 4.8859 4.9144 4.9185 4.9592 4.9706 4.9795 5.0609 5.0830 5.2447 5.2594 5.3521 5.3931 5.5174 5.5408 5.7184 5.7594 6.3385 6.3735 6.4529 6.4740 6.5745 6.5930 7.6070 7.6442 7.9003 7.9195 8.3437 8.3572 8.6941 8.7156 10.5603 10.6318 11.2627 11.2802 k = 0.1261-0.0126-0.1388 ( 5789 PWs) bands (ev): -8.9865 -8.9850 -8.3589 -8.3583 -6.7234 -6.7127 -6.6425 -6.6317 -4.0851 -4.0847 0.8400 0.9148 1.0322 1.0507 1.1717 1.2585 1.3735 1.4718 1.5396 1.5586 2.4499 2.4598 2.5366 2.5449 2.7578 2.7696 2.9028 2.9064 3.0236 3.0753 3.1180 3.1583 3.4073 3.4183 4.5240 4.5536 4.6891 4.7506 4.7964 4.8207 4.8419 4.8507 4.8810 4.9093 4.9177 4.9597 4.9721 4.9847 5.0558 5.0845 5.2535 5.2693 5.3434 5.3867 5.5006 5.5245 5.7271 5.7722 6.2929 6.3296 6.4327 6.4512 6.5652 6.5820 7.6211 7.6630 7.9186 7.9406 8.4167 8.4332 8.7161 8.7357 10.5940 10.6659 11.3260 11.3488 k = 0.1376-0.0137-0.1514 ( 5773 PWs) bands (ev): -8.9743 -8.9727 -8.3662 -8.3655 -6.7375 -6.7260 -6.6452 -6.6333 -4.0701 -4.0696 0.8145 0.8906 1.0220 1.0429 1.1650 1.2451 1.3960 1.4914 1.5536 1.5727 2.4342 2.4443 2.5343 2.5421 2.7414 2.7549 2.9028 2.9067 3.0534 3.0878 3.1522 3.1721 3.3933 3.4055 4.5261 4.5574 4.6846 4.7570 4.7999 4.8195 4.8439 4.8480 4.8752 4.9042 4.9180 4.9603 4.9746 4.9915 5.0511 5.0871 5.2615 5.2789 5.3355 5.3809 5.4843 5.5084 5.7360 5.7849 6.2464 6.2849 6.4102 6.4253 6.5566 6.5718 7.6374 7.6839 7.9392 7.9638 8.4879 8.5089 8.7437 8.7593 10.6297 10.7011 11.3901 11.4191 k = 0.1490-0.0149-0.1640 ( 5775 PWs) bands (ev): -8.9612 -8.9596 -8.3740 -8.3733 -6.7521 -6.7398 -6.6479 -6.6350 -4.0548 -4.0543 0.7887 0.8664 1.0110 1.0341 1.1572 1.2286 1.4213 1.5098 1.5722 1.5893 2.4172 2.4274 2.5321 2.5391 2.7254 2.7402 2.9026 2.9068 3.0766 3.0899 3.1862 3.2005 3.3798 3.3938 4.5289 4.5617 4.6801 4.7633 4.8026 4.8159 4.8403 4.8529 4.8688 4.9003 4.9182 4.9606 4.9781 4.9996 5.0469 5.0909 5.2683 5.2881 5.3285 5.3759 5.4688 5.4929 5.7449 5.7971 6.1993 6.2403 6.3853 6.3968 6.5482 6.5623 7.6559 7.7069 7.9616 7.9888 8.5539 8.5818 8.7795 8.7885 10.6670 10.7372 11.4537 11.4888 k = 0.1605-0.0160-0.1766 ( 5779 PWs) bands (ev): -8.9474 -8.9457 -8.3823 -8.3814 -6.7669 -6.7539 -6.6507 -6.6369 -4.0395 -4.0390 0.7627 0.8427 0.9989 1.0244 1.1484 1.2108 1.4473 1.5257 1.5947 1.6100 2.3989 2.4090 2.5298 2.5360 2.7102 2.7260 2.9023 2.9070 3.0846 3.0951 3.2107 3.2438 3.3685 3.3850 4.5325 4.5665 4.6758 4.7693 4.8043 4.8119 4.8359 4.8581 4.8633 4.8976 4.9186 4.9607 4.9824 5.0085 5.0437 5.0958 5.2736 5.2966 5.3224 5.3719 5.4543 5.4785 5.7531 5.8084 6.1522 6.1964 6.3585 6.3665 6.5395 6.5532 7.6768 7.7322 7.9859 8.0154 8.6113 8.6482 8.8259 8.8269 10.7057 10.7739 11.5153 11.5558 k = 0.1720-0.0172-0.1892 ( 5783 PWs) bands (ev): -8.9328 -8.9310 -8.3909 -8.3900 -6.7818 -6.7681 -6.6537 -6.6390 -4.0244 -4.0238 0.7365 0.8203 0.9851 1.0141 1.1390 1.1928 1.4723 1.5392 1.6189 1.6370 2.3791 2.3892 2.5275 2.5326 2.6962 2.7126 2.9020 2.9071 3.0811 3.1016 3.2361 3.2811 3.3638 3.3829 4.5369 4.5720 4.6719 4.7743 4.8028 4.8106 4.8316 4.8552 4.8659 4.8959 4.9195 4.9607 4.9875 5.0178 5.0422 5.1016 5.2773 5.3042 5.3176 5.3693 5.4411 5.4658 5.7603 5.8181 6.1057 6.1536 6.3306 6.3350 6.5303 6.5443 7.7000 7.7599 8.0116 8.0434 8.6584 8.7041 8.8767 8.8858 10.7456 10.8111 11.5740 11.6179 k = 0.1834-0.0183-0.2018 ( 5791 PWs) bands (ev): -8.9176 -8.9157 -8.3999 -8.3990 -6.7966 -6.7824 -6.6569 -6.6413 -4.0096 -4.0089 0.7102 0.7996 0.9690 1.0035 1.1293 1.1757 1.4949 1.5509 1.6447 1.6698 2.3580 2.3677 2.5250 2.5290 2.6836 2.7005 2.9015 2.9072 3.0750 3.1028 3.2570 3.2990 3.3733 3.3966 4.5420 4.5780 4.6684 4.7776 4.7989 4.8120 4.8272 4.8501 4.8704 4.8952 4.9212 4.9607 4.9927 5.0261 5.0436 5.1081 5.2794 5.3090 5.3157 5.3680 5.4295 5.4553 5.7657 5.8255 6.0605 6.1125 6.3023 6.3030 6.5205 6.5353 7.7256 7.7900 8.0387 8.0728 8.6967 8.7483 8.9402 8.9555 10.7866 10.8488 11.6287 11.6736 k = 0.1949-0.0195-0.2144 ( 5791 PWs) bands (ev): -8.9018 -8.8999 -8.4092 -8.4083 -6.8113 -6.7964 -6.6603 -6.6438 -3.9953 -3.9944 0.6841 0.7810 0.9503 0.9927 1.1197 1.1598 1.5140 1.5612 1.6735 1.7063 2.3355 2.3448 2.5222 2.5250 2.6727 2.6898 2.9010 2.9074 3.0672 3.0997 3.2684 3.2981 3.3948 3.4309 4.5480 4.5847 4.6655 4.7780 4.7959 4.8139 4.8232 4.8462 4.8736 4.8952 4.9239 4.9609 4.9973 5.0322 5.0498 5.1150 5.2804 5.3071 5.3200 5.3680 5.4197 5.4476 5.7686 5.8294 6.0173 6.0734 6.2712 6.2746 6.5101 6.5260 7.7533 7.8223 8.0668 8.1033 8.7290 8.7838 9.0134 9.0324 10.8285 10.8870 11.6782 11.7219 k = 0.2063-0.0206-0.2270 ( 5789 PWs) bands (ev): -8.8854 -8.8835 -8.4188 -8.4178 -6.8256 -6.8102 -6.6639 -6.6466 -3.9816 -3.9806 0.6582 0.7645 0.9290 0.9821 1.1103 1.1455 1.5294 1.5701 1.7058 1.7451 2.3117 2.3203 2.5190 2.5207 2.6634 2.6805 2.9006 2.9077 3.0581 3.0932 3.2712 3.2910 3.4251 3.4744 4.5546 4.5919 4.6633 4.7756 4.7941 4.8133 4.8222 4.8436 4.8754 4.8954 4.9276 4.9614 5.0008 5.0374 5.0597 5.1218 5.2809 5.3036 5.3251 5.3690 5.4125 5.4429 5.7683 5.8282 5.9774 6.0365 6.2406 6.2488 6.4989 6.5162 7.7829 7.8567 8.0959 8.1349 8.7576 8.8144 9.0925 9.1139 10.8713 10.9256 11.7217 11.7620 k = 0.2178-0.0218-0.2397 ( 5793 PWs) bands (ev): -8.8687 -8.8667 -8.4286 -8.4275 -6.8395 -6.8235 -6.6677 -6.6496 -3.9687 -3.9676 0.6328 0.7504 0.9055 0.9717 1.1014 1.1330 1.5413 1.5774 1.7409 1.7853 2.2866 2.2945 2.5153 2.5160 2.6555 2.6725 2.9002 2.9081 3.0481 3.0842 3.2697 3.2829 3.4610 3.5202 4.5617 4.5997 4.6620 4.7716 4.7926 4.8088 4.8254 4.8422 4.8762 4.8954 4.9320 4.9628 5.0027 5.0437 5.0711 5.1281 5.2814 5.3002 5.3293 5.3707 5.4084 5.4412 5.7638 5.8202 5.9422 6.0020 6.2123 6.2258 6.4870 6.5060 7.8142 7.8930 8.1258 8.1674 8.7838 8.8420 9.1749 9.1980 10.9149 10.9648 11.7582 11.7939 k = 0.2293-0.0229-0.2523 ( 5789 PWs) bands (ev): -8.8516 -8.8497 -8.4385 -8.4374 -6.8528 -6.8364 -6.6718 -6.6529 -3.9566 -3.9554 0.6080 0.7384 0.8802 0.9616 1.0929 1.1222 1.5502 1.5832 1.7782 1.8262 2.2603 2.2675 2.5107 2.5115 2.6489 2.6655 2.9001 2.9088 3.0378 3.0736 3.2667 3.2754 3.4994 3.5660 4.5692 4.6076 4.6615 4.7674 4.7907 4.8031 4.8300 4.8418 4.8763 4.8950 4.9364 4.9652 5.0034 5.0515 5.0828 5.1334 5.2822 5.2975 5.3321 5.3734 5.4078 5.4424 5.7547 5.8041 5.9127 5.9696 6.1876 6.2069 6.4743 6.4952 7.8469 7.9310 8.1563 8.2009 8.8083 8.8678 9.2590 9.2837 10.9593 11.0046 11.7873 11.8179 k = 0.2407-0.0240-0.2649 ( 5791 PWs) bands (ev): -8.8343 -8.8323 -8.4484 -8.4473 -6.8654 -6.8485 -6.6762 -6.6566 -3.9455 -3.9442 0.5840 0.7284 0.8541 0.9520 1.0848 1.1131 1.5567 1.5874 1.8167 1.8672 2.2331 2.2394 2.5051 2.5072 2.6431 2.6590 2.9005 2.9098 3.0278 3.0623 3.2635 3.2691 3.5388 3.6110 4.5769 4.6154 4.6621 4.7634 4.7881 4.7970 4.8346 4.8428 4.8759 4.8942 4.9402 4.9691 5.0034 5.0602 5.0944 5.1372 5.2827 5.2968 5.3339 5.3773 5.4101 5.4463 5.7404 5.7811 5.8879 5.9389 6.1675 6.1926 6.4609 6.4839 7.8806 7.9703 8.1871 8.2351 8.8313 8.8921 9.3443 9.3704 11.0043 11.0451 11.8092 11.8349 k = 0.2522-0.0252-0.2775 ( 5793 PWs) bands (ev): -8.8169 -8.8149 -8.4584 -8.4572 -6.8773 -6.8600 -6.6809 -6.6606 -3.9354 -3.9341 0.5609 0.7199 0.8280 0.9432 1.0771 1.1054 1.5611 1.5900 1.8555 1.9076 2.2050 2.2106 2.4990 2.5026 2.6378 2.6525 2.9018 2.9115 3.0187 3.0513 3.2603 3.2641 3.5782 3.6548 4.5845 4.6226 4.6641 4.7599 4.7851 4.7908 4.8375 4.8461 4.8752 4.8930 4.9431 4.9742 5.0031 5.0693 5.1052 5.1395 5.2823 5.2992 5.3353 5.3828 5.4148 5.4526 5.7208 5.7552 5.8652 5.9095 6.1529 6.1833 6.4467 6.4721 7.9150 8.0105 8.2183 8.2701 8.8528 8.9149 9.4302 9.4577 11.0497 11.0864 11.8244 11.8457 k = 0.2637-0.0263-0.2901 ( 5803 PWs) bands (ev): -8.7994 -8.7975 -8.4682 -8.4671 -6.8884 -6.8706 -6.6859 -6.6650 -3.9263 -3.9250 0.5388 0.7117 0.8035 0.9352 1.0696 1.0991 1.5638 1.5912 1.8937 1.9469 2.1763 2.1811 2.4921 2.4979 2.6327 2.6455 2.9042 2.9139 3.0112 3.0412 3.2569 3.2608 3.6172 3.6971 4.5917 4.6285 4.6676 4.7569 4.7815 4.7849 4.8386 4.8513 4.8743 4.8915 4.9452 4.9801 5.0030 5.0784 5.1148 5.1402 5.2816 5.3040 5.3372 5.3893 5.4212 5.4612 5.6963 5.7297 5.8425 5.8812 6.1439 6.1786 6.4319 6.4599 7.9496 8.0514 8.2496 8.3059 8.8724 8.9360 9.5163 9.5451 11.0953 11.1284 11.8340 11.8513 k = 0.2751-0.0275-0.3027 ( 5803 PWs) bands (ev): -8.7821 -8.7802 -8.4779 -8.4768 -6.8985 -6.8803 -6.6913 -6.6697 -3.9184 -3.9170 0.5177 0.7020 0.7830 0.9284 1.0625 1.0940 1.5650 1.5911 1.9305 1.9841 2.1470 2.1514 2.4843 2.4930 2.6277 2.6378 2.9080 2.9172 3.0057 3.0330 3.2537 3.2588 3.6555 3.7378 4.5985 4.6327 4.6728 4.7544 4.7766 4.7807 4.8388 4.8570 4.8732 4.8903 4.9467 4.9855 5.0042 5.0869 5.1229 5.1397 5.2817 5.3104 5.3403 5.3962 5.4287 5.4722 5.6689 5.7061 5.8194 5.8546 6.1400 6.1778 6.4164 6.4473 7.9840 8.0923 8.2809 8.3424 8.8900 8.9553 9.6026 9.6326 11.1405 11.1709 11.8387 11.8526 k = 0.2866-0.0286-0.3153 ( 5803 PWs) bands (ev): -8.7650 -8.7632 -8.4874 -8.4863 -6.9076 -6.8890 -6.6970 -6.6749 -3.9115 -3.9101 0.4977 0.6879 0.7693 0.9229 1.0556 1.0899 1.5651 1.5900 1.9649 2.0185 2.1175 2.1223 2.4752 2.4876 2.6228 2.6299 2.9132 2.9213 3.0027 3.0271 3.2509 3.2574 3.6929 3.7767 4.6045 4.6354 4.6791 4.7517 4.7707 4.7784 4.8385 4.8624 4.8719 4.8899 4.9477 4.9885 5.0083 5.0946 5.1287 5.1388 5.2825 5.3175 5.3447 5.4029 5.4368 5.4857 5.6413 5.6841 5.7964 5.8304 6.1404 6.1800 6.4003 6.4344 8.0178 8.1327 8.3121 8.3795 8.9052 8.9723 9.6888 9.7198 11.1847 11.2134 11.8395 11.8506 k = 0.2981-0.0298-0.3280 ( 5801 PWs) bands (ev): -8.7482 -8.7465 -8.4965 -8.4954 -6.9156 -6.8967 -6.7031 -6.6805 -3.9058 -3.9043 0.4788 0.6685 0.7638 0.9189 1.0490 1.0867 1.5642 1.5879 1.9949 2.0478 2.0884 2.0964 2.4645 2.4812 2.6178 2.6232 2.9195 2.9261 3.0025 3.0241 3.2485 3.2565 3.7293 3.8140 4.6097 4.6371 4.6855 4.7484 4.7647 4.7779 4.8376 4.8663 4.8704 4.8910 4.9485 4.9888 5.0153 5.1011 5.1309 5.1397 5.2838 5.3246 5.3500 5.4087 5.4445 5.5020 5.6155 5.6640 5.7750 5.8097 6.1441 6.1843 6.3837 6.4214 8.0503 8.1721 8.3431 8.4172 8.9178 8.9868 9.7748 9.8066 11.2272 11.2553 11.8372 11.8461 k = 0.3095-0.0309-0.3406 ( 5805 PWs) bands (ev): -8.7320 -8.7304 -8.5051 -8.5041 -6.9225 -6.9032 -6.7097 -6.6866 -3.9010 -3.8995 0.4609 0.6452 0.7649 0.9165 1.0426 1.0843 1.5627 1.5853 2.0136 2.0523 2.0684 2.0905 2.4517 2.4730 2.6125 2.6196 2.9265 2.9311 3.0053 3.0244 3.2466 3.2559 3.7647 3.8495 4.6137 4.6381 4.6909 4.7442 4.7591 4.7790 4.8362 4.8653 4.8717 4.8937 4.9493 4.9876 5.0240 5.1058 5.1299 5.1428 5.2849 5.3309 5.3558 5.4132 5.4507 5.5211 5.5929 5.6466 5.7566 5.7937 6.1505 6.1900 6.3667 6.4084 8.0811 8.2095 8.3739 8.4555 8.9275 8.9986 9.8603 9.8928 11.2672 11.2957 11.8325 11.8401 k = 0.3210-0.0321-0.3532 ( 5795 PWs) bands (ev): -8.7165 -8.7150 -8.5131 -8.5122 -6.9283 -6.9086 -6.7166 -6.6931 -3.8973 -3.8958 0.4443 0.6202 0.7707 0.9157 1.0364 1.0826 1.5606 1.5822 2.0057 2.0247 2.0747 2.1097 2.4367 2.4621 2.6089 2.6191 2.9334 2.9358 3.0114 3.0286 3.2450 3.2554 3.7989 3.8833 4.6165 4.6391 4.6944 4.7395 4.7540 4.7817 4.8347 4.8616 4.8742 4.8974 4.9501 4.9859 5.0333 5.1083 5.1283 5.1464 5.2846 5.3357 5.3615 5.4158 5.4553 5.5422 5.5748 5.6327 5.7427 5.7837 6.1587 6.1964 6.3494 6.3957 8.1095 8.2440 8.4046 8.4941 8.9342 9.0075 9.9451 9.9781 11.3039 11.3331 11.8261 11.8330 k = 0.3324-0.0332-0.3658 ( 5795 PWs) bands (ev): -8.7018 -8.7005 -8.5204 -8.5196 -6.9329 -6.9129 -6.7240 -6.7001 -3.8945 -3.8930 0.4287 0.5948 0.7799 0.9166 1.0304 1.0817 1.5584 1.5790 1.9808 1.9949 2.0925 2.1291 2.4197 2.4478 2.6087 2.6212 2.9394 2.9403 3.0204 3.0367 3.2437 3.2552 3.8321 3.9153 4.6179 4.6402 4.6950 4.7347 4.7499 4.7852 4.8333 4.8576 4.8764 4.9010 4.9511 4.9841 5.0428 5.1086 5.1274 5.1504 5.2819 5.3384 5.3663 5.4153 5.4589 5.5524 5.5740 5.6236 5.7347 5.7803 6.1682 6.2028 6.3320 6.3834 8.1352 8.2747 8.4354 8.5328 8.9379 9.0136 10.0289 10.0622 11.3364 11.3663 11.8188 11.8246 k = 0.3439-0.0343-0.3784 ( 5797 PWs) bands (ev): -8.6883 -8.6872 -8.5268 -8.5261 -6.9363 -6.9160 -6.7318 -6.7076 -3.8925 -3.8910 0.4144 0.5696 0.7914 0.9192 1.0246 1.0814 1.5562 1.5759 1.9520 1.9649 2.1103 2.1450 2.4009 2.4304 2.6122 2.6257 2.9437 2.9453 3.0320 3.0485 3.2424 3.2550 3.8641 3.9456 4.6180 4.6414 4.6920 4.7297 4.7474 4.7887 4.8325 4.8537 4.8783 4.9039 4.9522 4.9824 5.0520 5.1073 5.1270 5.1546 5.2762 5.3388 5.3696 5.4111 5.4617 5.5429 5.5981 5.6210 5.7332 5.7835 6.1785 6.2088 6.3146 6.3719 8.1576 8.3004 8.4663 8.5714 8.9389 9.0171 10.1115 10.1447 11.3640 11.3938 11.8103 11.8140 k = 0.3554-0.0355-0.3910 ( 5799 PWs) bands (ev): -8.6762 -8.6752 -8.5320 -8.5315 -6.9385 -6.9178 -6.7400 -6.7155 -3.8913 -3.8898 0.4012 0.5451 0.8048 0.9234 1.0190 1.0818 1.5542 1.5730 1.9222 1.9353 2.1254 2.1573 2.3808 2.4102 2.6189 2.6323 2.9472 2.9499 3.0456 3.0631 3.2413 3.2548 3.8949 3.9742 4.6172 4.6428 4.6860 4.7241 4.7468 4.7911 4.8330 4.8504 4.8799 4.9057 4.9534 4.9813 5.0601 5.1053 5.1267 5.1590 5.2676 5.3370 5.3703 5.4053 5.4621 5.5333 5.6213 5.6313 5.7386 5.7927 6.1890 6.2137 6.2976 6.3617 8.1760 8.3200 8.4974 8.6094 8.9374 9.0182 10.1924 10.2255 11.3862 11.4150 11.7982 11.7992 k = 0.3668-0.0366-0.4036 ( 5795 PWs) bands (ev): -8.6657 -8.6649 -8.5360 -8.5356 -6.9394 -6.9185 -6.7486 -6.7239 -3.8907 -3.8893 0.3893 0.5216 0.8195 0.9292 1.0136 1.0828 1.5526 1.5706 1.8925 1.9062 2.1374 2.1661 2.3599 2.3882 2.6280 2.6405 2.9506 2.9541 3.0607 3.0795 3.2402 3.2547 3.9245 4.0009 4.6158 4.6440 4.6780 4.7176 4.7474 4.7919 4.8353 4.8481 4.8814 4.9064 4.9542 4.9812 5.0663 5.1036 5.1263 5.1633 5.2572 5.3323 5.3677 5.4018 5.4591 5.5242 5.6378 5.6587 5.7505 5.8066 6.1990 6.2171 6.2816 6.3531 8.1903 8.3329 8.5286 8.6462 8.9343 9.0176 10.2713 10.3038 11.4027 11.4299 11.7762 11.7794 k = 0.3783-0.0378-0.4163 ( 5797 PWs) bands (ev): -8.6570 -8.6565 -8.5385 -8.5382 -6.9392 -6.9180 -6.7575 -6.7327 -3.8907 -3.8893 0.3786 0.4992 0.8349 0.9365 1.0084 1.0844 1.5516 1.5689 1.8633 1.8777 2.1465 2.1720 2.3387 2.3652 2.6384 2.6498 2.9541 2.9579 3.0768 3.0969 3.2391 3.2545 3.9527 4.0257 4.6139 4.6450 4.6688 4.7104 4.7485 4.7911 4.8394 4.8468 4.8825 4.9064 4.9541 4.9823 5.0697 5.1027 5.1258 5.1676 5.2463 5.3243 5.3634 5.4016 5.4526 5.5147 5.6605 5.6883 5.7682 5.8237 6.2064 6.2188 6.2682 6.3466 8.2000 8.3385 8.5596 8.6813 8.9303 9.0160 10.3477 10.3794 11.4139 11.4391 11.7437 11.7482 k = 0.3898-0.0389-0.4289 ( 5789 PWs) bands (ev): -8.6503 -8.6500 -8.5394 -8.5392 -6.9378 -6.9163 -6.7668 -6.7420 -3.8911 -3.8898 0.3693 0.4782 0.8504 0.9453 1.0035 1.0864 1.5513 1.5680 1.8348 1.8501 2.1528 2.1754 2.3178 2.3418 2.6495 2.6597 2.9577 2.9618 3.0932 3.1147 3.2379 3.2543 3.9796 4.0486 4.6117 4.6457 4.6589 4.7027 4.7497 4.7893 4.8442 4.8470 4.8834 4.9060 4.9529 4.9845 5.0698 5.1026 5.1248 5.1723 5.2356 5.3142 5.3594 5.4034 5.4440 5.5048 5.6892 5.7173 5.7908 5.8429 6.2080 6.2183 6.2608 6.3425 8.2051 8.3370 8.5898 8.7137 8.9265 9.0140 10.4210 10.4517 11.4203 11.4437 11.7018 11.7077 k = 0.4012-0.0401-0.4415 ( 5787 PWs) bands (ev): -8.6456 -8.6454 -8.5389 -8.5386 -6.9353 -6.9136 -6.7764 -6.7516 -3.8919 -3.8907 0.3612 0.4585 0.8654 0.9552 0.9993 1.0886 1.5519 1.5679 1.8073 1.8234 2.1567 2.1768 2.2977 2.3188 2.6605 2.6695 2.9615 2.9655 3.1096 3.1322 3.2366 3.2540 4.0049 4.0693 4.6094 4.6456 4.6494 4.6948 4.7508 4.7868 4.8464 4.8513 4.8843 4.9054 4.9508 4.9874 5.0672 5.1025 5.1232 5.1779 5.2252 5.3049 5.3556 5.4061 5.4343 5.4951 5.7215 5.7449 5.8171 5.8630 6.2027 6.2136 6.2625 6.3406 8.2056 8.3285 8.6189 8.7424 8.9242 9.0122 10.4908 10.5201 11.4223 11.4442 11.6564 11.6641 k = 0.4127-0.0412-0.4541 ( 5793 PWs) bands (ev): -8.6427 -8.6425 -8.5370 -8.5366 -6.9317 -6.9099 -6.7861 -6.7614 -3.8928 -3.8917 0.3546 0.4402 0.8795 0.9653 0.9964 1.0910 1.5534 1.5689 1.7811 1.7978 2.1586 2.1764 2.2789 2.2969 2.6710 2.6789 2.9655 2.9693 3.1255 3.1490 3.2351 3.2535 4.0286 4.0878 4.6069 4.6387 4.6467 4.6869 4.7518 4.7842 4.8479 4.8571 4.8852 4.9051 4.9480 4.9901 5.0630 5.1017 5.1209 5.1847 5.2145 5.2984 5.3514 5.4091 5.4240 5.4857 5.7555 5.7708 5.8457 5.8834 6.1925 6.2060 6.2706 6.3405 8.2020 8.3140 8.6464 8.7661 8.9247 9.0110 10.5565 10.5840 11.4200 11.4401 11.6143 11.6228 k = 0.4242-0.0424-0.4667 ( 5801 PWs) bands (ev): -8.6413 -8.6410 -8.5343 -8.5338 -6.9271 -6.9053 -6.7960 -6.7716 -3.8939 -3.8929 0.3493 0.4234 0.8924 0.9727 0.9977 1.0931 1.5559 1.5710 1.7563 1.7735 2.1588 2.1746 2.2619 2.2766 2.6805 2.6874 2.9694 2.9729 3.1405 3.1648 3.2333 3.2528 4.0505 4.1038 4.6044 4.6295 4.6465 4.6794 4.7528 4.7814 4.8498 4.8623 4.8867 4.9053 4.9447 4.9918 5.0584 5.0999 5.1187 5.1901 5.2055 5.2954 5.3467 5.4122 5.4139 5.4771 5.7893 5.7953 5.8745 5.9033 6.1801 6.1971 6.2812 6.3417 8.1951 8.2946 8.6720 8.7837 8.9291 9.0105 10.6175 10.6430 11.4126 11.4299 11.5807 11.5881 k = 0.4356-0.0435-0.4793 ( 5809 PWs) bands (ev): -8.6409 -8.6406 -8.5311 -8.5306 -6.9217 -6.8999 -6.8058 -6.7818 -3.8950 -3.8942 0.3455 0.4082 0.9038 0.9738 1.0064 1.0946 1.5595 1.5741 1.7333 1.7507 2.1576 2.1716 2.2472 2.2587 2.6890 2.6949 2.9732 2.9764 3.1544 3.1794 3.2313 3.2518 4.0705 4.1172 4.6019 4.6211 4.6464 4.6726 4.7539 4.7787 4.8521 4.8661 4.8893 4.9062 4.9411 4.9915 5.0546 5.0972 5.1171 5.1843 5.2083 5.2951 5.3416 5.4033 5.4160 5.4693 5.8170 5.8225 5.9019 5.9224 6.1679 6.1875 6.2924 6.3434 8.1861 8.2719 8.6955 8.7949 8.9376 9.0106 10.6733 10.6963 11.3992 11.4123 11.5586 11.5633 k = 0.4471-0.0447-0.4919 ( 5803 PWs) bands (ev): -8.6410 -8.6407 -8.5278 -8.5273 -6.9154 -6.8941 -6.8153 -6.7921 -3.8961 -3.8954 0.3432 0.3946 0.9138 0.9710 1.0193 1.0953 1.5641 1.5782 1.7125 1.7295 2.1555 2.1676 2.2351 2.2436 2.6963 2.7012 2.9768 2.9795 3.1671 3.1924 3.2291 3.2505 4.0884 4.1279 4.5995 4.6136 4.6463 4.6665 4.7552 4.7760 4.8546 4.8683 4.8929 4.9083 4.9377 4.9884 5.0532 5.0938 5.1165 5.1725 5.2180 5.2959 5.3368 5.3933 5.4197 5.4624 5.8381 5.8511 5.9261 5.9407 6.1569 6.1776 6.3034 6.3451 8.1764 8.2477 8.7165 8.8003 8.9491 9.0108 10.7231 10.7432 11.3802 11.3892 11.5467 11.5491 k = 0.4586-0.0458-0.5046 ( 5801 PWs) bands (ev): -8.6415 -8.6412 -8.5247 -8.5244 -6.9085 -6.8882 -6.8241 -6.8023 -3.8970 -3.8964 0.3423 0.3825 0.9226 0.9668 1.0334 1.0946 1.5697 1.5829 1.6942 1.7102 2.1527 2.1628 2.2259 2.2317 2.7022 2.7061 2.9800 2.9822 3.1784 3.2036 3.2267 3.2487 4.1040 4.1357 4.5973 4.6073 4.6464 4.6614 4.7567 4.7733 4.8571 4.8689 4.8970 4.9114 4.9348 4.9823 5.0544 5.0900 5.1169 5.1604 5.2289 5.2955 5.3341 5.3835 5.4235 5.4562 5.8570 5.8747 5.9460 5.9578 6.1480 6.1678 6.3137 6.3463 8.1674 8.2238 8.7352 8.8014 8.9619 9.0107 10.7662 10.7829 11.3587 11.3647 11.5411 11.5434 k = 0.5414 0.4068-0.0912 ( 5801 PWs) bands (ev): -8.6415 -8.6412 -8.5247 -8.5244 -6.9085 -6.8881 -6.8241 -6.8023 -3.8970 -3.8964 0.3424 0.3825 0.9226 0.9667 1.0334 1.0945 1.5697 1.5829 1.6942 1.7103 2.1528 2.1629 2.2259 2.2317 2.7021 2.7061 2.9800 2.9822 3.1784 3.2035 3.2267 3.2487 4.1040 4.1357 4.5974 4.6074 4.6464 4.6614 4.7569 4.7734 4.8570 4.8688 4.8969 4.9113 4.9347 4.9824 5.0543 5.0899 5.1168 5.1602 5.2289 5.2954 5.3341 5.3835 5.4236 5.4563 5.8572 5.8748 5.9461 5.9580 6.1479 6.1677 6.3136 6.3462 8.1675 8.2239 8.7352 8.8014 8.9619 9.0107 10.7661 10.7828 11.3587 11.3647 11.5410 11.5434 k = 0.5311 0.4182-0.0912 ( 5799 PWs) bands (ev): -8.6420 -8.6418 -8.5224 -8.5221 -6.9019 -6.8834 -6.8308 -6.8113 -3.8977 -3.8973 0.3429 0.3730 0.9298 0.9624 1.0458 1.0925 1.5753 1.5872 1.6805 1.6948 2.1504 2.1583 2.2199 2.2238 2.7064 2.7094 2.9824 2.9841 3.1874 3.2113 3.2250 3.2465 4.1160 4.1402 4.5958 4.6027 4.6468 4.6576 4.7585 4.7711 4.8592 4.8685 4.9005 4.9140 4.9339 4.9750 5.0573 5.0860 5.1180 5.1502 5.2392 5.2923 5.3347 5.3748 5.4272 5.4513 5.8722 5.8904 5.9605 5.9711 6.1423 6.1593 6.3220 6.3464 8.1614 8.2039 8.7500 8.7996 8.9733 9.0098 10.7983 10.8115 11.3402 11.3445 11.5395 11.5420 k = 0.5207 0.4297-0.0912 ( 5799 PWs) bands (ev): -8.6424 -8.6422 -8.5207 -8.5205 -6.8952 -6.8803 -6.8352 -6.8197 -3.8982 -3.8979 0.3447 0.3647 0.9363 0.9578 1.0574 1.0889 1.5812 1.5907 1.6704 1.6817 2.1487 2.1541 2.2159 2.2183 2.7096 2.7116 2.9843 2.9855 3.1953 3.2143 3.2263 3.2437 4.1259 4.1422 4.5948 4.5991 4.6474 4.6544 4.7603 4.7687 4.8613 4.8677 4.9038 4.9147 4.9363 4.9667 5.0616 5.0817 5.1202 5.1414 5.2495 5.2864 5.3382 5.3664 5.4308 5.4467 5.8850 5.8998 5.9720 5.9804 6.1393 6.1518 6.3294 6.3456 8.1583 8.1868 8.7628 8.7958 8.9835 9.0078 10.8232 10.8323 11.3252 11.3283 11.5398 11.5419 k = 0.5104 0.4411-0.0912 ( 5811 PWs) bands (ev): -8.6426 -8.6425 -8.5196 -8.5195 -6.8888 -6.8802 -6.8361 -6.8272 -3.8985 -3.8983 0.3478 0.3578 0.9422 0.9529 1.0678 1.0836 1.5867 1.5922 1.6652 1.6716 2.1480 2.1508 2.2138 2.2150 2.7117 2.7127 2.9856 2.9861 3.2020 3.2120 3.2310 3.2402 4.1335 4.1417 4.5945 4.5965 4.6484 4.6519 4.7622 4.7664 4.8632 4.8665 4.9071 4.9131 4.9419 4.9580 5.0666 5.0769 5.1235 5.1339 5.2596 5.2785 5.3438 5.3583 5.4345 5.4424 5.8949 5.9032 5.9804 5.9851 6.1389 6.1456 6.3355 6.3435 8.1590 8.1733 8.7737 8.7902 8.9923 9.0043 10.8397 10.8444 11.3158 11.3175 11.5407 11.5419 k = 0.5000 0.4526-0.0912 ( 5816 PWs) bands (ev): -8.6427 -8.6427 -8.5192 -8.5192 -6.8834 -6.8834 -6.8330 -6.8330 -3.8985 -3.8985 0.3521 0.3521 0.9477 0.9477 1.0765 1.0765 1.5907 1.5907 1.6657 1.6657 2.1487 2.1487 2.2135 2.2135 2.7127 2.7127 2.9862 2.9862 3.2076 3.2076 3.2359 3.2359 4.1388 4.1388 4.5950 4.5950 4.6499 4.6499 4.7642 4.7642 4.8649 4.8649 4.9103 4.9103 4.9495 4.9495 5.0718 5.0718 5.1280 5.1280 5.2694 5.2694 5.3506 5.3506 5.4384 5.4384 5.9012 5.9012 5.9850 5.9850 6.1412 6.1412 6.3402 6.3402 8.1639 8.1639 8.7828 8.7828 8.9992 8.9992 10.8469 10.8469 11.3131 11.3131 11.5415 11.5415 k = 0.5000 0.4526-0.0912 ( 5816 PWs) bands (ev): -8.6427 -8.6427 -8.5192 -8.5192 -6.8834 -6.8834 -6.8330 -6.8330 -3.8985 -3.8985 0.3521 0.3521 0.9477 0.9477 1.0765 1.0765 1.5907 1.5907 1.6657 1.6657 2.1487 2.1487 2.2135 2.2135 2.7127 2.7127 2.9862 2.9862 3.2076 3.2076 3.2359 3.2359 4.1388 4.1388 4.5950 4.5950 4.6499 4.6499 4.7642 4.7642 4.8649 4.8649 4.9103 4.9103 4.9495 4.9495 5.0718 5.0718 5.1280 5.1280 5.2694 5.2694 5.3506 5.3506 5.4384 5.4384 5.9012 5.9012 5.9850 5.9850 6.1412 6.1412 6.3402 6.3402 8.1639 8.1639 8.7828 8.7828 8.9992 8.9992 10.8469 10.8469 11.3131 11.3131 11.5415 11.5415 k = 0.5017 0.4541-0.0740 ( 5802 PWs) bands (ev): -8.6427 -8.6427 -8.5190 -8.5190 -6.8833 -6.8833 -6.8330 -6.8329 -3.8993 -3.8992 0.3492 0.3541 0.9376 0.9484 1.0687 1.0724 1.5957 1.5974 1.6707 1.6725 2.1372 2.1490 2.2156 2.2270 2.7125 2.7127 2.9858 2.9871 3.2075 3.2076 3.2356 3.2364 4.1362 4.1375 4.5862 4.6042 4.6448 4.6549 4.7637 4.7648 4.8607 4.8689 4.9028 4.9180 4.9486 4.9505 5.0651 5.0784 5.1274 5.1285 5.2692 5.2715 5.3500 5.3522 5.4376 5.4394 5.8986 5.9052 5.9834 5.9882 6.1374 6.1435 6.3393 6.3435 8.1631 8.1649 8.7807 8.7837 8.9982 8.9985 10.8450 10.8457 11.2971 11.3007 11.5294 11.5433 k = 0.5035 0.4557-0.0568 ( 5800 PWs) bands (ev): -8.6427 -8.6427 -8.5186 -8.5185 -6.8830 -6.8829 -6.8327 -6.8327 -3.9017 -3.9015 0.3454 0.3551 0.9186 0.9396 1.0499 1.0569 1.6114 1.6152 1.6872 1.6901 2.1223 2.1394 2.2320 2.2483 2.7121 2.7124 2.9857 2.9883 3.2072 3.2073 3.2354 3.2369 4.1298 4.1324 4.5777 4.6136 4.6395 4.6596 4.7632 4.7654 4.8557 4.8726 4.8962 4.9254 4.9475 4.9515 5.0586 5.0846 5.1268 5.1291 5.2706 5.2755 5.3501 5.3545 5.4371 5.4407 5.8972 5.9104 5.9833 5.9928 6.1323 6.1444 6.3407 6.3490 8.1626 8.1662 8.7773 8.7832 8.9956 8.9961 10.8402 10.8415 11.2584 11.2635 11.5164 11.5349 k = 0.5052 0.4572-0.0395 ( 5800 PWs) bands (ev): -8.6428 -8.6427 -8.5178 -8.5176 -6.8826 -6.8824 -6.8322 -6.8322 -3.9055 -3.9053 0.3405 0.3551 0.8923 0.9226 1.0224 1.0319 1.6360 1.6426 1.7135 1.7169 2.1081 2.1277 2.2551 2.2732 2.7113 2.7119 2.9861 2.9900 3.2067 3.2068 3.2355 3.2375 4.1198 4.1233 4.5694 4.6227 4.6345 4.6640 4.7630 4.7657 4.8494 4.8761 4.8911 4.9317 4.9464 4.9529 5.0529 5.0899 5.1261 5.1299 5.2733 5.2810 5.3509 5.3576 5.4370 5.4423 5.8971 5.9169 5.9848 5.9988 6.1260 6.1441 6.3443 6.3564 8.1623 8.1677 8.7727 8.7814 8.9914 8.9921 10.8324 10.8343 11.2059 11.2106 11.5046 11.5232 k = 0.5069 0.4588-0.0223 ( 5797 PWs) bands (ev): -8.6428 -8.6427 -8.5167 -8.5165 -6.8819 -6.8816 -6.8316 -6.8316 -3.9108 -3.9106 0.3345 0.3541 0.8603 0.8988 0.9885 1.0000 1.6675 1.6772 1.7476 1.7509 2.0963 2.1176 2.2811 2.3002 2.7104 2.7111 2.9869 2.9920 3.2058 3.2062 3.2358 3.2381 4.1063 4.1105 4.5611 4.6261 4.6351 4.6682 4.7632 4.7658 4.8418 4.8792 4.8880 4.9365 4.9455 4.9550 5.0484 5.0940 5.1257 5.1311 5.2771 5.2879 5.3526 5.3615 5.4373 5.4446 5.8982 5.9246 5.9880 6.0060 6.1191 6.1428 6.3500 6.3655 8.1622 8.1695 8.7670 8.7783 8.9856 8.9863 10.8219 10.8244 11.1459 11.1495 11.4928 11.5102 k = 0.5086 0.4604-0.0051 ( 5794 PWs) bands (ev): -8.6429 -8.6427 -8.5153 -8.5151 -6.8810 -6.8807 -6.8308 -6.8308 -3.9175 -3.9172 0.3274 0.3522 0.8242 0.8698 0.9505 0.9632 1.7042 1.7172 1.7874 1.7900 2.0876 2.1106 2.3087 2.3286 2.7092 2.7101 2.9881 2.9944 3.2045 3.2056 3.2364 3.2388 4.0895 4.0939 4.5528 4.6213 4.6435 4.6720 4.7637 4.7656 4.8331 4.8816 4.8866 4.9395 4.9448 4.9576 5.0458 5.0963 5.1261 5.1326 5.2815 5.2953 5.3551 5.3659 5.4385 5.4478 5.9006 5.9333 5.9927 6.0144 6.1118 6.1412 6.3575 6.3759 8.1624 8.1716 8.7601 8.7737 8.9782 8.9787 10.8087 10.8118 11.0822 11.0846 11.4799 11.4961 k = 0.5104 0.4619 0.0121 ( 5796 PWs) bands (ev): -8.6429 -8.6427 -8.5137 -8.5134 -6.8799 -6.8795 -6.8299 -6.8298 -3.9256 -3.9252 0.3190 0.3491 0.7851 0.8373 0.9099 0.9233 1.7445 1.7609 1.8308 1.8328 2.0827 2.1077 2.3373 2.3577 2.7078 2.7089 2.9896 2.9971 3.2028 3.2047 3.2373 3.2394 4.0696 4.0739 4.5443 4.6156 4.6520 4.6756 4.7645 4.7653 4.8237 4.8830 4.8866 4.9410 4.9449 4.9600 5.0457 5.0965 5.1276 5.1347 5.2860 5.3023 5.3584 5.3708 5.4409 5.4524 5.9039 5.9430 5.9990 6.0239 6.1047 6.1397 6.3664 6.3875 8.1627 8.1739 8.7521 8.7678 8.9692 8.9695 10.7933 10.7968 11.0172 11.0181 11.4659 11.4808 k = 0.5121 0.4635 0.0293 ( 5797 PWs) bands (ev): -8.6429 -8.6427 -8.5119 -8.5116 -6.8786 -6.8782 -6.8288 -6.8287 -3.9348 -3.9343 0.3095 0.3450 0.7443 0.8023 0.8679 0.8817 1.7870 1.8071 1.8764 1.8774 2.0823 2.1097 2.3663 2.3873 2.7062 2.7075 2.9914 3.0000 3.2006 3.2036 3.2386 3.2401 4.0467 4.0505 4.5356 4.6097 4.6597 4.6788 4.7647 4.7654 4.8144 4.8832 4.8872 4.9415 4.9460 4.9613 5.0484 5.0949 5.1303 5.1374 5.2902 5.3079 5.3628 5.3760 5.4452 5.4590 5.9081 5.9532 6.0068 6.0344 6.0983 6.1389 6.3765 6.4000 8.1633 8.1766 8.7430 8.7605 8.9585 8.9587 10.7758 10.7798 10.9515 10.9520 11.4506 11.4644 k = 0.5138 0.4651 0.0466 ( 5794 PWs) bands (ev): -8.6429 -8.6427 -8.5099 -8.5095 -6.8771 -6.8766 -6.8275 -6.8275 -3.9451 -3.9446 0.2987 0.3397 0.7025 0.7658 0.8256 0.8393 1.8307 1.8548 1.9224 1.9227 2.0873 2.1173 2.3955 2.4171 2.7045 2.7059 2.9936 3.0032 3.1981 3.2022 3.2402 3.2408 4.0209 4.0239 4.5268 4.6038 4.6661 4.6817 4.7641 4.7661 4.8058 4.8823 4.8880 4.9414 4.9485 4.9611 5.0538 5.0919 5.1339 5.1408 5.2934 5.3114 5.3677 5.3809 5.4523 5.4684 5.9128 5.9633 6.0159 6.0456 6.0935 6.1392 6.3876 6.4133 8.1640 8.1795 8.7329 8.7518 8.9459 8.9468 10.7565 10.7608 10.8857 10.8877 11.4343 11.4471 k = 0.5155 0.4666 0.0638 ( 5790 PWs) bands (ev): -8.6429 -8.6426 -8.5078 -8.5074 -6.8754 -6.8749 -6.8262 -6.8261 -3.9564 -3.9558 0.2868 0.3334 0.6603 0.7285 0.7836 0.7968 1.8746 1.9032 1.9659 1.9684 2.0990 2.1314 2.4247 2.4468 2.7026 2.7042 2.9960 3.0066 3.1950 3.2005 3.2417 3.2422 3.9923 3.9943 4.5178 4.5979 4.6710 4.6844 4.7634 4.7661 4.7987 4.8802 4.8886 4.9406 4.9527 4.9594 5.0612 5.0882 5.1380 5.1452 5.2954 5.3126 5.3726 5.3851 5.4629 5.4811 5.9178 5.9723 6.0265 6.0576 6.0911 6.1413 6.3994 6.4272 8.1650 8.1826 8.7218 8.7416 8.9318 8.9334 10.7355 10.7404 10.8215 10.8249 11.4170 11.4288 k = 0.5173 0.4682 0.0810 ( 5789 PWs) bands (ev): -8.6428 -8.6425 -8.5055 -8.5051 -6.8735 -6.8729 -6.8247 -6.8247 -3.9685 -3.9679 0.2737 0.3259 0.6184 0.6909 0.7425 0.7548 1.9175 1.9515 2.0056 2.0126 2.1194 2.1528 2.4535 2.4763 2.7005 2.7023 2.9986 3.0102 3.1915 3.1984 3.2427 3.2445 3.9610 3.9617 4.5087 4.5920 4.6742 4.6868 4.7627 4.7648 4.7938 4.8773 4.8886 4.9394 4.9564 4.9584 5.0698 5.0844 5.1426 5.1508 5.2960 5.3118 5.3767 5.3882 5.4775 5.4973 5.9225 5.9787 6.0388 6.0701 6.0921 6.1454 6.4120 6.4416 8.1660 8.1859 8.7097 8.7300 8.9163 8.9188 10.7125 10.7185 10.7602 10.7644 11.3987 11.4096 k = 0.5190 0.4697 0.0982 ( 5790 PWs) bands (ev): -8.6426 -8.6424 -8.5032 -8.5028 -6.8714 -6.8708 -6.8231 -6.8231 -3.9813 -3.9807 0.2597 0.3175 0.5770 0.6532 0.7028 0.7136 1.9586 1.9986 2.0405 2.0548 2.1496 2.1820 2.4821 2.5055 2.6983 2.7003 3.0015 3.0139 3.1876 3.1957 3.2440 3.2471 3.9263 3.9270 4.4997 4.5862 4.6757 4.6891 4.7621 4.7623 4.7913 4.8736 4.8882 4.9378 4.9527 4.9649 5.0784 5.0809 5.1477 5.1579 5.2952 5.3094 5.3797 5.3902 5.4960 5.5170 5.9267 5.9818 6.0531 6.0830 6.0969 6.1517 6.4252 6.4564 8.1672 8.1894 8.6967 8.7170 8.8997 8.9031 10.6833 10.6935 10.7068 10.7084 11.3793 11.3894 k = 0.5207 0.4713 0.1155 ( 5790 PWs) bands (ev): -8.6424 -8.6422 -8.5009 -8.5005 -6.8691 -6.8685 -6.8214 -6.8214 -3.9947 -3.9940 0.2448 0.3081 0.5366 0.6159 0.6647 0.6736 1.9972 2.0418 2.0736 2.0954 2.1882 2.2181 2.5102 2.5342 2.6961 2.6982 3.0046 3.0176 3.1831 3.1924 3.2455 3.2500 3.8883 3.8903 4.4908 4.5803 4.6755 4.6910 4.7591 4.7617 4.7907 4.8694 4.8874 4.9356 4.9483 4.9714 5.0783 5.0864 5.1533 5.1666 5.2933 5.3058 5.3814 5.3913 5.5180 5.5397 5.9300 5.9813 6.0692 6.0963 6.1052 6.1602 6.4389 6.4716 8.1683 8.1930 8.6829 8.7025 8.8821 8.8864 10.6356 10.6478 10.6743 10.6756 11.3587 11.3682 k = 0.5225 0.4729 0.1327 ( 5784 PWs) bands (ev): -8.6421 -8.6419 -8.4987 -8.4982 -6.8667 -6.8660 -6.8197 -6.8197 -4.0084 -4.0077 0.2293 0.2979 0.4974 0.5792 0.6284 0.6350 2.0332 2.0770 2.1114 2.1355 2.2321 2.2593 2.5379 2.5625 2.6937 2.6959 3.0078 3.0215 3.1783 3.1886 3.2472 3.2532 3.8477 3.8511 4.4821 4.5745 4.6737 4.6929 4.7564 4.7615 4.7912 4.8647 4.8865 4.9330 4.9436 4.9767 5.0773 5.0933 5.1597 5.1767 5.2907 5.3013 5.3819 5.3916 5.5432 5.5648 5.9324 5.9782 6.0867 6.1101 6.1163 6.1707 6.4530 6.4870 8.1693 8.1965 8.6683 8.6868 8.8638 8.8690 10.5834 10.5961 10.6497 10.6518 11.3367 11.3456 k = 0.5242 0.4744 0.1499 ( 5782 PWs) bands (ev): -8.6418 -8.6415 -8.4964 -8.4960 -6.8641 -6.8634 -6.8179 -6.8179 -4.0224 -4.0216 0.2134 0.2872 0.4596 0.5435 0.5940 0.5981 2.0669 2.1056 2.1541 2.1757 2.2785 2.3036 2.5653 2.5906 2.6912 2.6936 3.0112 3.0253 3.1729 3.1841 3.2492 3.2567 3.8047 3.8093 4.4738 4.5685 4.6709 4.6945 4.7544 4.7616 4.7921 4.8596 4.8856 4.9298 4.9389 4.9798 5.0781 5.0989 5.1670 5.1878 5.2876 5.2964 5.3815 5.3913 5.5708 5.5920 5.9338 5.9733 6.1051 6.1243 6.1294 6.1827 6.4676 6.5026 8.1700 8.1998 8.6531 8.6698 8.8452 8.8510 10.5336 10.5473 10.6263 10.6286 11.3132 11.3216 k = 0.5259 0.4760 0.1671 ( 5790 PWs) bands (ev): -8.6414 -8.6412 -8.4944 -8.4939 -6.8614 -6.8606 -6.8161 -6.8161 -4.0365 -4.0357 0.1974 0.2760 0.4236 0.5091 0.5615 0.5629 2.0989 2.1325 2.1978 2.2161 2.3255 2.3491 2.5926 2.6184 2.6887 2.6911 3.0147 3.0292 3.1671 3.1789 3.2514 3.2605 3.7594 3.7650 4.4661 4.5624 4.6674 4.6959 4.7533 4.7619 4.7930 4.8543 4.8849 4.9257 4.9345 4.9804 5.0807 5.1035 5.1752 5.1991 5.2849 5.2912 5.3804 5.3905 5.6005 5.6206 5.9343 5.9675 6.1237 6.1387 6.1436 6.1956 6.4825 6.5182 8.1702 8.2025 8.6375 8.6519 8.8266 8.8328 10.4877 10.5023 10.6037 10.6060 11.2878 11.2959 k = 0.5276 0.4776 0.1843 ( 5795 PWs) bands (ev): -8.6410 -8.6407 -8.4924 -8.4919 -6.8585 -6.8577 -6.8143 -6.8142 -4.0505 -4.0497 0.1815 0.2645 0.3894 0.4761 0.5296 0.5309 2.1300 2.1594 2.2407 2.2562 2.3721 2.3945 2.6200 2.6463 2.6862 2.6886 3.0183 3.0330 3.1609 3.1730 3.2538 3.2645 3.7122 3.7184 4.4589 4.5562 4.6637 4.6972 4.7529 4.7626 4.7939 4.8488 4.8845 4.9208 4.9306 4.9784 5.0846 5.1073 5.1845 5.2096 5.2831 5.2862 5.3786 5.3895 5.6317 5.6502 5.9340 5.9612 6.1422 6.1534 6.1585 6.2090 6.4977 6.5338 8.1698 8.2045 8.6216 8.6333 8.8082 8.8146 10.4461 10.4613 10.5820 10.5841 11.2605 11.2684 k = 0.5294 0.4791 0.2016 ( 5799 PWs) bands (ev): -8.6405 -8.6402 -8.4907 -8.4902 -6.8554 -6.8547 -6.8124 -6.8124 -4.0643 -4.0635 0.1661 0.2529 0.3573 0.4449 0.4983 0.5021 2.1605 2.1868 2.2822 2.2955 2.4171 2.4385 2.6475 2.6742 2.6844 2.6866 3.0219 3.0368 3.1543 3.1666 3.2563 3.2688 3.6632 3.6695 4.4525 4.5498 4.6602 4.6983 4.7532 4.7636 4.7946 4.8432 4.8844 4.9155 4.9270 4.9746 5.0892 5.1105 5.1944 5.2181 5.2817 5.2833 5.3764 5.3884 5.6639 5.6805 5.9331 5.9548 6.1599 6.1680 6.1738 6.2223 6.5132 6.5494 8.1683 8.2053 8.6058 8.6145 8.7904 8.7968 10.4091 10.4246 10.5613 10.5632 11.2311 11.2388 k = 0.5311 0.4807 0.2188 ( 5802 PWs) bands (ev): -8.6399 -8.6397 -8.4891 -8.4886 -6.8523 -6.8515 -6.8106 -6.8105 -4.0778 -4.0770 0.1513 0.2413 0.3276 0.4157 0.4690 0.4751 2.1905 2.2147 2.3217 2.3335 2.4597 2.4799 2.6702 2.6821 2.6888 2.7054 3.0256 3.0405 3.1475 3.1596 3.2588 3.2734 3.6128 3.6186 4.4468 4.5433 4.6573 4.6993 4.7540 4.7649 4.7952 4.8374 4.8848 4.9099 4.9236 4.9693 5.0938 5.1133 5.2044 5.2234 5.2782 5.2865 5.3740 5.3872 5.6965 5.7108 5.9319 5.9486 6.1768 6.1822 6.1889 6.2353 6.5287 6.5646 8.1655 8.2045 8.5904 8.5960 8.7734 8.7795 10.3772 10.3926 10.5419 10.5436 11.1995 11.2073 k = 0.5328 0.4823 0.2360 ( 5810 PWs) bands (ev): -8.6393 -8.6391 -8.4879 -8.4874 -6.8491 -6.8483 -6.8088 -6.8087 -4.0908 -4.0900 0.1376 0.2299 0.3004 0.3887 0.4419 0.4499 2.2199 2.2427 2.3590 2.3699 2.4991 2.5177 2.6733 2.6794 2.7149 2.7363 3.0293 3.0440 3.1404 3.1522 3.2609 3.2784 3.5616 3.5657 4.4421 4.5366 4.6551 4.7001 4.7552 4.7664 4.7954 4.8315 4.8856 4.9044 4.9203 4.9632 5.0981 5.1157 5.2137 5.2254 5.2765 5.2926 5.3714 5.3861 5.7289 5.7408 5.9306 5.9429 6.1924 6.1957 6.2035 6.2475 6.5442 6.5794 8.1611 8.2014 8.5758 8.5785 8.7575 8.7632 10.3505 10.3655 10.5239 10.5254 11.1659 11.1738 k = 0.5345 0.4838 0.2532 ( 5790 PWs) bands (ev): -8.6387 -8.6385 -8.4869 -8.4864 -6.8457 -6.8450 -6.8071 -6.8069 -4.1032 -4.1024 0.1249 0.2184 0.2763 0.3639 0.4171 0.4265 2.2486 2.2706 2.3938 2.4042 2.5345 2.5511 2.6710 2.6764 2.7490 2.7694 3.0331 3.0476 3.1332 3.1444 3.2622 3.2836 3.5105 3.5114 4.4384 4.5299 4.6539 4.7009 4.7567 4.7682 4.7955 4.8257 4.8869 4.8992 4.9170 4.9568 5.1019 5.1180 5.2209 5.2249 5.2776 5.3009 5.3689 5.3853 5.7606 5.7698 5.9295 5.9378 6.2068 6.2085 6.2174 6.2588 6.5594 6.5936 8.1546 8.1957 8.5625 8.5627 8.7430 8.7480 10.3292 10.3434 10.5077 10.5090 11.1305 11.1384 k = 0.5363 0.4854 0.2705 ( 5794 PWs) bands (ev): -8.6380 -8.6378 -8.4862 -8.4857 -6.8424 -6.8416 -6.8053 -6.8051 -4.1148 -4.1141 0.1137 0.2068 0.2557 0.3416 0.3944 0.4049 2.2762 2.2980 2.4259 2.4360 2.5655 2.5796 2.6680 2.6732 2.7864 2.8045 3.0368 3.0509 3.1260 3.1364 3.2613 3.2892 3.4559 3.4611 4.4357 4.5231 4.6536 4.7016 4.7583 4.7698 4.7953 4.8198 4.8884 4.8944 4.9137 4.9500 5.1053 5.1200 5.2230 5.2251 5.2820 5.3101 5.3665 5.3847 5.7906 5.7970 5.9287 5.9336 6.2199 6.2203 6.2302 6.2689 6.5741 6.6069 8.1458 8.1869 8.5489 8.5508 8.7299 8.7342 10.3135 10.3265 10.4933 10.4944 11.0934 11.1015 k = 0.5380 0.4869 0.2877 ( 5792 PWs) bands (ev): -8.6374 -8.6372 -8.4858 -8.4854 -6.8390 -6.8383 -6.8037 -6.8035 -4.1257 -4.1250 0.1040 0.1945 0.2392 0.3217 0.3741 0.3852 2.3026 2.3244 2.4550 2.4651 2.5919 2.6035 2.6648 2.6701 2.8258 2.8411 3.0404 3.0541 3.1190 3.1284 3.2557 3.2947 3.4004 3.4169 4.4340 4.5165 4.6543 4.7023 4.7601 4.7714 4.7948 4.8141 4.8902 4.8903 4.9104 4.9433 5.1082 5.1219 5.2205 5.2264 5.2894 5.3194 5.3643 5.3844 5.8179 5.8216 5.9289 5.9308 6.2309 6.2317 6.2419 6.2777 6.5881 6.6192 8.1347 8.1749 8.5376 8.5407 8.7186 8.7221 10.3034 10.3149 10.4809 10.4820 11.0550 11.0634 k = 0.5397 0.4885 0.3049 ( 5795 PWs) bands (ev): -8.6367 -8.6365 -8.4858 -8.4854 -6.8356 -6.8349 -6.8021 -6.8018 -4.1356 -4.1349 0.0961 0.1816 0.2272 0.3044 0.3560 0.3673 2.3274 2.3494 2.4807 2.4909 2.6139 2.6229 2.6619 2.6673 2.8658 2.8782 3.0440 3.0571 3.1123 3.1204 3.2402 3.2958 3.3499 3.3838 4.4334 4.5101 4.6560 4.7028 4.7620 4.7727 4.7941 4.8087 4.8866 4.8924 4.9070 4.9368 5.1109 5.1235 5.2179 5.2259 5.2986 5.3284 5.3624 5.3845 5.8412 5.8422 5.9298 5.9307 6.2404 6.2421 6.2524 6.2852 6.6010 6.6300 8.1215 8.1597 8.5287 8.5325 8.7092 8.7119 10.2989 10.3087 10.4707 10.4718 11.0160 11.0245 k = 0.5414 0.4901 0.3221 ( 5795 PWs) bands (ev): -8.6360 -8.6359 -8.4861 -8.4857 -6.8322 -6.8316 -6.8006 -6.8003 -4.1444 -4.1438 0.0901 0.1687 0.2193 0.2897 0.3403 0.3513 2.3503 2.3726 2.5027 2.5130 2.6317 2.6382 2.6601 2.6652 2.9044 2.9141 3.0473 3.0600 3.1061 3.1126 3.2108 3.2681 3.3304 3.3673 4.4339 4.5039 4.6585 4.7033 4.7641 4.7735 4.7931 4.8038 4.8839 4.8947 4.9036 4.9307 5.1133 5.1250 5.2157 5.2245 5.3084 5.3368 5.3610 5.3849 5.8577 5.8591 5.9314 5.9351 6.2487 6.2511 6.2618 6.2916 6.6126 6.6392 8.1063 8.1419 8.5219 8.5259 8.7020 8.7037 10.3001 10.3080 10.4629 10.4640 10.9767 10.9853 k = 0.5414 0.4901 0.3221 ( 5795 PWs) bands (ev): -8.6360 -8.6359 -8.4861 -8.4857 -6.8322 -6.8316 -6.8006 -6.8003 -4.1444 -4.1438 0.0901 0.1687 0.2193 0.2897 0.3403 0.3513 2.3503 2.3726 2.5027 2.5130 2.6317 2.6382 2.6601 2.6652 2.9044 2.9141 3.0473 3.0600 3.1061 3.1126 3.2108 3.2681 3.3304 3.3673 4.4339 4.5039 4.6585 4.7033 4.7641 4.7735 4.7931 4.8038 4.8839 4.8947 4.9036 4.9307 5.1133 5.1250 5.2157 5.2245 5.3084 5.3368 5.3610 5.3849 5.8577 5.8591 5.9314 5.9351 6.2487 6.2511 6.2618 6.2916 6.6126 6.6392 8.1063 8.1419 8.5219 8.5259 8.7020 8.7037 10.3001 10.3080 10.4629 10.4640 10.9767 10.9853 k = 0.5355 0.4847 0.3352 ( 5789 PWs) bands (ev): -8.6354 -8.6353 -8.4865 -8.4862 -6.8279 -6.8274 -6.7998 -6.7995 -4.1532 -4.1527 0.0848 0.1549 0.2130 0.2771 0.3254 0.3337 2.3802 2.4018 2.5183 2.5276 2.6432 2.6477 2.6655 2.6693 2.9352 2.9441 3.0507 3.0628 3.1023 3.1073 3.1836 3.2383 3.3159 3.3514 4.4354 4.4973 4.6623 4.7038 4.7659 4.7745 4.7909 4.7998 4.8820 4.8948 4.9022 4.9239 5.1158 5.1264 5.2134 5.2223 5.3191 5.3426 5.3631 5.3853 5.8678 5.8701 5.9418 5.9441 6.2576 6.2596 6.2701 6.2966 6.6246 6.6484 8.0884 8.1191 8.5175 8.5199 8.6958 8.6972 10.3166 10.3218 10.4446 10.4455 10.9334 10.9422 k = 0.5296 0.4793 0.3482 ( 5793 PWs) bands (ev): -8.6348 -8.6347 -8.4869 -8.4866 -6.8244 -6.8240 -6.7988 -6.7986 -4.1609 -4.1604 0.0813 0.1415 0.2095 0.2658 0.3124 0.3181 2.4074 2.4271 2.5334 2.5410 2.6518 2.6543 2.6715 2.6738 2.9644 2.9732 3.0537 3.0652 3.0990 3.1020 3.1584 3.2089 3.3023 3.3352 4.4378 4.4907 4.6664 4.7035 4.7680 4.7751 4.7887 4.7962 4.8809 4.8949 4.9011 4.9174 5.1180 5.1274 5.2114 5.2198 5.3293 5.3478 5.3647 5.3848 5.8765 5.8792 5.9510 5.9524 6.2653 6.2666 6.2782 6.3007 6.6356 6.6562 8.0715 8.0971 8.5137 8.5151 8.6913 8.6923 10.3319 10.3349 10.4300 10.4307 10.8940 10.9027 k = 0.5237 0.4740 0.3612 ( 5785 PWs) bands (ev): -8.6343 -8.6343 -8.4872 -8.4870 -6.8217 -6.8213 -6.7976 -6.7975 -4.1673 -4.1669 0.0797 0.1289 0.2084 0.2556 0.3015 0.3048 2.4309 2.4475 2.5482 2.5534 2.6578 2.6588 2.6774 2.6784 2.9908 3.0009 3.0561 3.0672 3.0961 3.0966 3.1366 3.1814 3.2896 3.3189 4.4410 4.4842 4.6708 4.7024 4.7701 4.7753 4.7866 4.7932 4.8808 4.8950 4.9001 4.9114 5.1200 5.1279 5.2101 5.2174 5.3388 5.3522 5.3658 5.3835 5.8838 5.8865 5.9590 5.9596 6.2718 6.2724 6.2856 6.3039 6.6455 6.6625 8.0566 8.0771 8.5104 8.5111 8.6883 8.6889 10.3451 10.3462 10.4194 10.4201 10.8595 10.8675 k = 0.5178 0.4686 0.3742 ( 5787 PWs) bands (ev): -8.6340 -8.6339 -8.4875 -8.4873 -6.8197 -6.8195 -6.7965 -6.7964 -4.1723 -4.1720 0.0799 0.1174 0.2094 0.2463 0.2927 0.2943 2.4498 2.4626 2.5619 2.5647 2.6617 2.6620 2.6824 2.6827 3.0131 3.0258 3.0582 3.0689 3.0910 3.0939 3.1196 3.1568 3.2786 3.3031 4.4449 4.4779 4.6755 4.7003 4.7721 4.7753 4.7848 4.7905 4.8817 4.8950 4.8993 4.9058 5.1218 5.1281 5.2092 5.2151 5.3473 5.3560 5.3665 5.3813 5.8897 5.8920 5.9654 5.9657 6.2768 6.2771 6.2921 6.3059 6.6540 6.6670 8.0446 8.0600 8.5075 8.5078 8.6864 8.6867 10.3547 10.3548 10.4134 10.4138 10.8310 10.8378 k = 0.5118 0.4633 0.3873 ( 5791 PWs) bands (ev): -8.6337 -8.6337 -8.4877 -8.4876 -6.8184 -6.8182 -6.7955 -6.7955 -4.1760 -4.1758 0.0819 0.1072 0.2122 0.2376 0.2862 0.2867 2.4639 2.4723 2.5731 2.5741 2.6641 2.6641 2.6861 2.6862 3.0299 3.0436 3.0632 3.0706 3.0859 3.0926 3.1081 3.1355 3.2706 3.2886 4.4494 4.4716 4.6803 4.6974 4.7740 4.7754 4.7836 4.7880 4.8835 4.8946 4.8986 4.9011 5.1235 5.1278 5.2090 5.2131 5.3547 5.3589 5.3668 5.3784 5.8939 5.8957 5.9701 5.9702 6.2804 6.2805 6.2975 6.3067 6.6609 6.6697 8.0362 8.0465 8.5052 8.5053 8.6854 8.6855 10.3597 10.3602 10.4115 10.4117 10.8098 10.8149 k = 0.5059 0.4579 0.4003 ( 5793 PWs) bands (ev): -8.6336 -8.6336 -8.4878 -8.4878 -6.8176 -6.8176 -6.7949 -6.7949 -4.1782 -4.1781 0.0857 0.0984 0.2167 0.2297 0.2822 0.2823 2.4730 2.4771 2.5805 2.5807 2.6654 2.6654 2.6885 2.6885 3.0404 3.0477 3.0727 3.0737 3.0859 3.0929 3.1009 3.1171 3.2672 3.2769 4.4544 4.4656 4.6850 4.6938 4.7752 4.7756 4.7832 4.7858 4.8862 4.8928 4.8981 4.8984 5.1249 5.1271 5.2093 5.2114 5.3602 5.3611 5.3676 5.3746 5.8967 5.8976 5.9730 5.9730 6.2826 6.2826 6.3017 6.3063 6.6660 6.6705 8.0320 8.0371 8.5037 8.5037 8.6850 8.6850 10.3619 10.3622 10.4120 10.4120 10.7971 10.7998 k = 0.5000 0.4526 0.4133 ( 5798 PWs) bands (ev): -8.6335 -8.6335 -8.4878 -8.4878 -6.8174 -6.8174 -6.7946 -6.7946 -4.1789 -4.1789 0.0913 0.0913 0.2226 0.2226 0.2808 0.2808 2.4774 2.4774 2.5831 2.5831 2.6658 2.6658 2.6892 2.6892 3.0456 3.0456 3.0747 3.0747 3.0946 3.0946 3.1011 3.1011 3.2693 3.2693 4.4598 4.4598 4.6896 4.6896 4.7756 4.7756 4.7840 4.7840 4.8895 4.8895 4.8979 4.8979 5.1261 5.1261 5.2101 5.2101 5.3620 5.3620 5.3705 5.3705 5.8979 5.8979 5.9739 5.9739 6.2833 6.2833 6.3046 6.3046 6.6693 6.6693 8.0323 8.0323 8.5032 8.5032 8.6848 8.6848 10.3626 10.3626 10.4125 10.4125 10.7937 10.7937 k = 0.5000-0.0499-0.0456 ( 5754 PWs) bands (ev): -8.7164 -8.7164 -8.5807 -8.5807 -6.8986 -6.8986 -6.6141 -6.6141 -3.9201 -3.9201 0.5818 0.5818 0.8524 0.8524 1.2494 1.2494 1.6070 1.6070 1.8162 1.8162 2.2853 2.2853 2.3714 2.3714 2.6378 2.6378 2.8196 2.8196 2.8426 2.8426 3.1972 3.1972 3.9717 3.9717 4.5979 4.5979 4.6980 4.6980 4.7590 4.7590 4.8634 4.8634 4.9019 4.9019 4.9689 4.9689 5.1129 5.1129 5.1936 5.1936 5.3026 5.3026 5.4160 5.4160 5.5259 5.5259 5.7227 5.7227 5.8087 5.8087 5.9889 5.9889 6.2635 6.2635 7.7359 7.7359 8.5426 8.5426 8.7707 8.7707 9.9704 9.9704 10.9360 10.9360 11.9691 11.9691 k = 0.5023-0.0374-0.0341 ( 5769 PWs) bands (ev): -8.7161 -8.7160 -8.5807 -8.5806 -6.8988 -6.8986 -6.6145 -6.6144 -3.9203 -3.9201 0.5756 0.5874 0.8492 0.8533 1.2427 1.2518 1.6071 1.6087 1.8169 1.8179 2.2841 2.2861 2.3718 2.3725 2.6378 2.6390 2.8170 2.8206 2.8426 2.8432 3.1966 3.1972 3.9666 3.9786 4.5948 4.6011 4.6950 4.7004 4.7557 4.7621 4.8611 4.8659 4.8981 4.9064 4.9683 4.9696 5.1110 5.1147 5.1899 5.1946 5.3015 5.3057 5.4135 5.4174 5.5205 5.5305 5.7236 5.7236 5.8085 5.8118 5.9847 5.9923 6.2631 6.2640 7.7331 7.7417 8.5402 8.5458 8.7715 8.7723 9.9705 9.9742 10.9349 10.9364 11.9647 11.9685 k = 0.5046-0.0248-0.0226 ( 5763 PWs) bands (ev): -8.7151 -8.7151 -8.5807 -8.5806 -6.8990 -6.8987 -6.6155 -6.6153 -3.9208 -3.9205 0.5688 0.5924 0.8437 0.8519 1.2322 1.2501 1.6088 1.6122 1.8200 1.8221 2.2827 2.2868 2.3738 2.3751 2.6392 2.6417 2.8130 2.8202 2.8437 2.8445 3.1953 3.1965 3.9635 3.9872 4.5920 4.6042 4.6918 4.7024 4.7524 4.7654 4.8594 4.8684 4.8951 4.9116 4.9679 4.9705 5.1089 5.1167 5.1846 5.1929 5.3026 5.3100 5.4099 5.4174 5.5147 5.5344 5.7262 5.7265 5.8113 5.8177 5.9800 5.9947 6.2630 6.2646 7.7332 7.7504 8.5388 8.5499 8.7745 8.7763 9.9745 9.9819 10.9331 10.9361 11.9555 11.9629 k = 0.5069-0.0122-0.0112 ( 5766 PWs) bands (ev): -8.7136 -8.7135 -8.5806 -8.5806 -6.8993 -6.8989 -6.6172 -6.6168 -3.9216 -3.9211 0.5616 0.5966 0.8360 0.8481 1.2180 1.2442 1.6118 1.6171 1.8255 1.8285 2.2812 2.2875 2.3772 2.3790 2.6420 2.6455 2.8075 2.8185 2.8458 2.8465 3.1933 3.1951 3.9622 3.9972 4.5895 4.6072 4.6883 4.7037 4.7490 4.7690 4.8582 4.8707 4.8929 4.9174 4.9677 4.9718 5.1061 5.1190 5.1784 5.1883 5.3057 5.3146 5.4056 5.4162 5.5087 5.5376 5.7306 5.7313 5.8170 5.8263 5.9748 5.9960 6.2630 6.2655 7.7362 7.7619 8.5382 8.5547 8.7794 8.7823 9.9825 9.9934 10.9308 10.9352 11.9418 11.9523 k = 0.5092 0.0003 0.0003 ( 5773 PWs) bands (ev): -8.7115 -8.7113 -8.5806 -8.5805 -6.8997 -6.8992 -6.6195 -6.6190 -3.9227 -3.9221 0.5540 0.5999 0.8262 0.8421 1.2008 1.2345 1.6157 1.6229 1.8334 1.8373 2.2796 2.2885 2.3819 2.3842 2.6461 2.6504 2.8008 2.8155 2.8489 2.8493 3.1907 3.1932 3.9626 4.0083 4.5874 4.6098 4.6845 4.7043 4.7455 4.7730 4.8577 4.8724 4.8916 4.9233 4.9680 4.9732 5.1023 5.1215 5.1723 5.1815 5.3102 5.3187 5.4008 5.4137 5.5031 5.5401 5.7364 5.7382 5.8255 5.8373 5.9697 5.9963 6.2633 6.2665 7.7419 7.7762 8.5385 8.5600 8.7856 8.7900 9.9947 10.0090 10.9283 10.9340 11.9243 11.9374 k = 0.5115 0.0129 0.0118 ( 5775 PWs) bands (ev): -8.7088 -8.7086 -8.5805 -8.5804 -6.9001 -6.8996 -6.6225 -6.6218 -3.9241 -3.9234 0.5460 0.6023 0.8145 0.8340 1.1809 1.2213 1.6201 1.6293 1.8437 1.8484 2.2783 2.2901 2.3879 2.3907 2.6514 2.6564 2.7935 2.8115 2.8530 2.8530 3.1875 3.1906 3.9647 4.0202 4.5856 4.6119 4.6807 4.7043 4.7422 4.7776 4.8580 4.8735 4.8910 4.9285 4.9694 4.9749 5.0972 5.1243 5.1669 5.1732 5.3152 5.3215 5.3960 5.4101 5.4983 5.5420 5.7437 5.7471 5.8366 5.8504 5.9649 5.9956 6.2638 6.2677 7.7503 7.7931 8.5394 8.5659 8.7928 8.7987 10.0112 10.0286 10.9259 10.9326 11.9036 11.9185 k = 0.5138 0.0255 0.0233 ( 5769 PWs) bands (ev): -8.7055 -8.7053 -8.5804 -8.5803 -6.9006 -6.9000 -6.6260 -6.6252 -3.9259 -3.9251 0.5376 0.6036 0.8010 0.8238 1.1587 1.2050 1.6247 1.6355 1.8564 1.8616 2.2776 2.2927 2.3951 2.3982 2.6579 2.6632 2.7859 2.8068 2.8576 2.8580 3.1837 3.1874 3.9682 4.0325 4.5842 4.6133 4.6769 4.7039 4.7391 4.7825 4.8590 4.8739 4.8913 4.9315 4.9732 4.9766 5.0905 5.1273 5.1627 5.1638 5.3202 5.3226 5.3916 5.4056 5.4948 5.5436 5.7521 5.7579 5.8501 5.8652 5.9610 5.9941 6.2645 6.2690 7.7612 7.8124 8.5409 8.5722 8.8001 8.8078 10.0318 10.0521 10.9241 10.9315 11.8804 11.8965 k = 0.5161 0.0381 0.0348 ( 5779 PWs) bands (ev): -8.7017 -8.7015 -8.5802 -8.5801 -6.9012 -6.9004 -6.6301 -6.6292 -3.9281 -3.9272 0.5288 0.6037 0.7860 0.8116 1.1345 1.1859 1.6290 1.6411 1.8714 1.8770 2.2778 2.2965 2.4031 2.4066 2.6654 2.6706 2.7784 2.8019 2.8631 2.8639 3.1795 3.1837 3.9727 4.0449 4.5830 4.6140 4.6730 4.7034 4.7361 4.7876 4.8604 4.8736 4.8926 4.9315 4.9784 4.9798 5.0824 5.1302 5.1541 5.1597 5.3215 5.3245 5.3879 5.4004 5.4926 5.5448 5.7614 5.7701 5.8656 5.8808 5.9588 5.9922 6.2655 6.2706 7.7743 7.8339 8.5429 8.5789 8.8069 8.8165 10.0565 10.0792 10.9233 10.9312 11.8557 11.8723 k = 0.5184 0.0506 0.0462 ( 5775 PWs) bands (ev): -8.6975 -8.6972 -8.5800 -8.5798 -6.9016 -6.9009 -6.6347 -6.6337 -3.9307 -3.9297 0.5196 0.6023 0.7696 0.7978 1.1086 1.1643 1.6330 1.6459 1.8887 1.8945 2.2790 2.3020 2.4118 2.4158 2.6738 2.6786 2.7714 2.7973 2.8694 2.8707 3.1747 3.1796 3.9779 4.0569 4.5820 4.6140 4.6693 4.7029 4.7335 4.7925 4.8619 4.8727 4.8951 4.9287 4.9802 4.9890 5.0735 5.1318 5.1457 5.1578 5.3185 5.3280 5.3854 5.3950 5.4916 5.5458 5.7712 5.7836 5.8830 5.8964 5.9597 5.9902 6.2667 6.2723 7.7895 7.8576 8.5451 8.5858 8.8128 8.8240 10.0846 10.1092 10.9244 10.9324 11.8303 11.8468 k = 0.5207 0.0632 0.0577 ( 5783 PWs) bands (ev): -8.6929 -8.6926 -8.5796 -8.5795 -6.9021 -6.9012 -6.6398 -6.6387 -3.9338 -3.9326 0.5098 0.5993 0.7521 0.7824 1.0812 1.1406 1.6367 1.6497 1.9081 1.9140 2.2817 2.3091 2.4212 2.4256 2.6828 2.6868 2.7654 2.7935 2.8765 2.8781 3.1696 3.1750 3.9835 4.0683 4.5809 4.6132 4.6658 4.7026 4.7310 4.7971 4.8629 4.8713 4.8985 4.9240 4.9820 4.9995 5.0646 5.1268 5.1443 5.1566 5.3139 5.3305 5.3839 5.3899 5.4913 5.5464 5.7809 5.7978 5.9015 5.9099 5.9656 5.9889 6.2682 6.2742 7.8065 7.8830 8.5473 8.5930 8.8172 8.8299 10.1152 10.1412 10.9282 10.9359 11.8052 11.8210 k = 0.5230 0.0758 0.0692 ( 5777 PWs) bands (ev): -8.6879 -8.6876 -8.5791 -8.5790 -6.9025 -6.9016 -6.6454 -6.6442 -3.9373 -3.9361 0.4995 0.5946 0.7338 0.7655 1.0526 1.1150 1.6401 1.6526 1.9297 1.9354 2.2859 2.3180 2.4310 2.4359 2.6924 2.6951 2.7609 2.7911 2.8843 2.8863 3.1641 3.1701 3.9891 4.0786 4.5797 4.6117 4.6626 4.7026 4.7289 4.8012 4.8633 4.8693 4.9021 4.9183 4.9844 5.0103 5.0565 5.1171 5.1486 5.1560 5.3083 5.3324 5.3837 5.3855 5.4912 5.5464 5.7900 5.8119 5.9204 5.9206 5.9782 5.9897 6.2699 6.2763 7.8252 7.9099 8.5496 8.6003 8.8199 8.8337 10.1469 10.1737 10.9357 10.9428 11.7814 11.7961 k = 0.5253 0.0883 0.0807 ( 5773 PWs) bands (ev): -8.6827 -8.6824 -8.5785 -8.5783 -6.9027 -6.9018 -6.6514 -6.6501 -3.9414 -3.9401 0.4884 0.5878 0.7147 0.7475 1.0228 1.0877 1.6435 1.6548 1.9532 1.9586 2.2917 2.3286 2.4410 2.4465 2.7021 2.7033 2.7582 2.7905 2.8928 2.8952 3.1584 3.1649 3.9944 4.0876 4.5781 4.6097 4.6600 4.7030 4.7270 4.8048 4.8629 4.8668 4.9044 4.9122 4.9876 5.0204 5.0501 5.1067 5.1552 5.1556 5.3024 5.3338 5.3817 5.3845 5.4906 5.5457 5.7979 5.8253 5.9289 5.9387 5.9945 5.9965 6.2719 6.2787 7.8451 7.9381 8.5515 8.6077 8.8208 8.8352 10.1779 10.2049 10.9481 10.9542 11.7600 11.7733 k = 0.5276 0.1009 0.0922 ( 5775 PWs) bands (ev): -8.6773 -8.6770 -8.5776 -8.5774 -6.9028 -6.9018 -6.6578 -6.6565 -3.9459 -3.9446 0.4766 0.5789 0.6952 0.7283 0.9921 1.0589 1.6473 1.6567 1.9785 1.9834 2.2993 2.3409 2.4511 2.4572 2.7112 2.7116 2.7579 2.7921 2.9017 2.9045 3.1524 3.1594 3.9990 4.0948 4.5758 4.6072 4.6580 4.7036 4.7254 4.8078 4.8621 4.8637 4.9041 4.9062 4.9920 5.0285 5.0463 5.0971 5.1556 5.1638 5.2968 5.3350 5.3787 5.3862 5.4892 5.5440 5.8044 5.8370 5.9376 5.9542 6.0055 6.0185 6.2741 6.2813 7.8660 7.9671 8.5530 8.6152 8.8201 8.8343 10.2062 10.2328 10.9663 10.9711 11.7420 11.7537 k = 0.5299 0.1135 0.1037 ( 5779 PWs) bands (ev): -8.6719 -8.6716 -8.5764 -8.5763 -6.9027 -6.9018 -6.6645 -6.6631 -3.9511 -3.9496 0.4639 0.5677 0.6753 0.7082 0.9607 1.0287 1.6519 1.6590 2.0054 2.0097 2.3085 2.3544 2.4613 2.4680 2.7187 2.7202 2.7606 2.7961 2.9112 2.9144 3.1463 3.1538 4.0024 4.0999 4.5726 4.6044 4.6568 4.7045 4.7242 4.8101 4.8598 4.8607 4.9007 4.9009 4.9970 5.0334 5.0459 5.0893 5.1561 5.1742 5.2921 5.3361 5.3765 5.3889 5.4865 5.5412 5.8092 5.8463 5.9478 5.9669 6.0233 6.0428 6.2767 6.2844 7.8877 7.9966 8.5539 8.6226 8.8178 8.8312 10.2299 10.2556 10.9908 10.9940 11.7286 11.7387 k = 0.5322 0.1261 0.1151 ( 5781 PWs) bands (ev): -8.6666 -8.6662 -8.5749 -8.5747 -6.9024 -6.9015 -6.6715 -6.6701 -3.9568 -3.9553 0.4502 0.5542 0.6550 0.6873 0.9285 0.9974 1.6580 1.6622 2.0337 2.0373 2.3193 2.3691 2.4713 2.4787 2.7260 2.7276 2.7665 2.8023 2.9210 2.9246 3.1401 3.1481 4.0045 4.1026 4.5684 4.6012 4.6565 4.7055 4.7232 4.8114 4.8553 4.8589 4.8953 4.8963 5.0011 5.0337 5.0494 5.0847 5.1573 5.1865 5.2887 5.3371 5.3753 5.3927 5.4823 5.5370 5.8128 5.8530 5.9598 5.9791 6.0458 6.0683 6.2796 6.2879 7.9097 8.0262 8.5540 8.6297 8.8145 8.8261 10.2473 10.2720 11.0213 11.0229 11.7212 11.7295 k = 0.5345 0.1386 0.1266 ( 5781 PWs) bands (ev): -8.6614 -8.6611 -8.5729 -8.5727 -6.9019 -6.9009 -6.6788 -6.6773 -3.9630 -3.9615 0.4355 0.5386 0.6344 0.6657 0.8959 0.9650 1.6659 1.6670 2.0633 2.0661 2.3315 2.3845 2.4812 2.4893 2.7335 2.7343 2.7755 2.8106 2.9312 2.9351 3.1338 3.1423 4.0048 4.1027 4.5631 4.5979 4.6571 4.7065 4.7227 4.8115 4.8503 4.8566 4.8891 4.8929 5.0034 5.0294 5.0563 5.0834 5.1599 5.2002 5.2867 5.3380 5.3750 5.3977 5.4767 5.5314 5.8156 5.8574 5.9734 5.9923 6.0709 6.0944 6.2830 6.2920 7.9318 8.0555 8.5532 8.6364 8.8103 8.8195 10.2579 10.2815 11.0563 11.0564 11.7212 11.7278 k = 0.5368 0.1512 0.1381 ( 5779 PWs) bands (ev): -8.6566 -8.6563 -8.5704 -8.5702 -6.9011 -6.9002 -6.6862 -6.6847 -3.9698 -3.9682 0.4197 0.5212 0.6132 0.6435 0.8629 0.9318 1.6740 1.6764 2.0938 2.0957 2.3450 2.4005 2.4909 2.4996 2.7408 2.7415 2.7865 2.8206 2.9415 2.9459 3.1277 3.1365 4.0029 4.0997 4.5568 4.5943 4.6586 4.7074 4.7225 4.8099 4.8450 4.8533 4.8841 4.8906 5.0040 5.0219 5.0647 5.0843 5.1641 5.2147 5.2862 5.3387 5.3759 5.4044 5.4697 5.5244 5.8181 5.8603 5.9882 6.0067 6.0973 6.1205 6.2870 6.2970 7.9537 8.0839 8.5514 8.6425 8.8058 8.8116 10.2617 10.2845 11.0920 11.0931 11.7302 11.7352 k = 0.5391 0.1638 0.1496 ( 5783 PWs) bands (ev): -8.6523 -8.6519 -8.5673 -8.5671 -6.9000 -6.8991 -6.6938 -6.6923 -3.9771 -3.9756 0.4029 0.5022 0.5914 0.6209 0.8296 0.8978 1.6837 1.6897 2.1251 2.1260 2.3596 2.4168 2.5002 2.5095 2.7478 2.7501 2.7990 2.8318 2.9520 2.9567 3.1217 3.1308 3.9986 4.0936 4.5497 4.5906 4.6609 4.7081 4.7227 4.8063 4.8396 4.8493 4.8812 4.8891 5.0034 5.0126 5.0728 5.0863 5.1704 5.2295 5.2871 5.3388 5.3778 5.4130 5.4618 5.5164 5.8207 5.8622 6.0038 6.0220 6.1241 6.1460 6.2918 6.3033 7.9750 8.1111 8.5485 8.6476 8.8012 8.8031 10.2597 10.2818 11.1264 11.1284 11.7498 11.7531 k = 0.5414 0.1763 0.1611 ( 5775 PWs) bands (ev): -8.6484 -8.6481 -8.5636 -8.5634 -6.8986 -6.8978 -6.7015 -6.6999 -3.9850 -3.9834 0.3851 0.4820 0.5688 0.5978 0.7961 0.8633 1.6967 1.7063 2.1568 2.1570 2.3751 2.4332 2.5092 2.5191 2.7556 2.7597 2.8124 2.8441 2.9625 2.9675 3.1159 3.1253 3.9916 4.0840 4.5419 4.5868 4.6639 4.7085 4.7234 4.8008 4.8345 4.8450 4.8807 4.8883 5.0020 5.0028 5.0796 5.0885 5.1784 5.2438 5.2893 5.3382 5.3807 5.4235 5.4541 5.5080 5.8236 5.8640 6.0199 6.0378 6.1505 6.1702 6.2978 6.3113 7.9956 8.1365 8.5448 8.6514 8.7943 8.7968 10.2531 10.2748 11.1566 11.1592 11.7810 11.7823 k = 0.5438 0.1889 0.1725 ( 5774 PWs) bands (ev): -8.6452 -8.6450 -8.5592 -8.5590 -6.8969 -6.8961 -6.7092 -6.7076 -3.9933 -3.9918 0.3664 0.4610 0.5455 0.5745 0.7625 0.8284 1.7131 1.7263 2.1877 2.1891 2.3914 2.4494 2.5178 2.5283 2.7643 2.7701 2.8265 2.8573 2.9729 2.9782 3.1103 3.1199 3.9816 4.0707 4.5337 4.5829 4.6673 4.7083 4.7244 4.7938 4.8297 4.8411 4.8819 4.8879 4.9927 5.0000 5.0847 5.0908 5.1875 5.2572 5.2925 5.3366 5.3834 5.4349 5.4486 5.5008 5.8270 5.8659 6.0362 6.0538 6.1756 6.1920 6.3055 6.3219 8.0151 8.1597 8.5402 8.6536 8.7858 8.7926 10.2433 10.2649 11.1802 11.1831 11.7874 11.7985 k = 0.5461 0.2015 0.1840 ( 5777 PWs) bands (ev): -8.6426 -8.6424 -8.5543 -8.5541 -6.8949 -6.8941 -6.7169 -6.7153 -4.0021 -4.0006 0.3470 0.4395 0.5216 0.5512 0.7290 0.7932 1.7334 1.7500 2.2186 2.2213 2.4084 2.4654 2.5260 2.5371 2.7738 2.7812 2.8412 2.8714 2.9831 2.9886 3.1052 3.1149 3.9684 4.0536 4.5254 4.5789 4.6711 4.7073 4.7258 4.7864 4.8252 4.8375 4.8841 4.8878 4.9829 4.9977 5.0885 5.0931 5.1969 5.2692 5.2960 5.3338 5.3833 5.4441 5.4487 5.4984 5.8308 5.8681 6.0525 6.0695 6.1985 6.2105 6.3156 6.3356 8.0333 8.1804 8.5353 8.6538 8.7780 8.7888 10.2317 10.2534 11.1962 11.1994 11.6940 11.7019 k = 0.5484 0.2141 0.1955 ( 5777 PWs) bands (ev): -8.6406 -8.6404 -8.5489 -8.5487 -6.8926 -6.8918 -6.7246 -6.7230 -4.0113 -4.0098 0.3270 0.4176 0.4972 0.5279 0.6956 0.7579 1.7574 1.7773 2.2491 2.2533 2.4259 2.4811 2.5338 2.5455 2.7840 2.7928 2.8566 2.8862 2.9930 2.9986 3.1005 3.1101 3.9519 4.0325 4.5169 4.5748 4.6750 4.7054 4.7276 4.7792 4.8214 4.8344 4.8870 4.8878 4.9734 4.9950 5.0912 5.0954 5.2057 5.2797 5.2994 5.3296 5.3783 5.4460 5.4574 5.5063 5.8351 5.8707 6.0686 6.0850 6.2181 6.2254 6.3290 6.3529 8.0502 8.1981 8.5302 8.6516 8.7713 8.7851 10.2196 10.2414 11.2048 11.2082 11.5976 11.6038 k = 0.5507 0.2266 0.2070 ( 5780 PWs) bands (ev): -8.6391 -8.6389 -8.5431 -8.5429 -6.8899 -6.8892 -6.7321 -6.7305 -4.0208 -4.0193 0.3066 0.3957 0.4726 0.5049 0.6626 0.7227 1.7854 1.8082 2.2789 2.2848 2.4437 2.4963 2.5413 2.5535 2.7945 2.8046 2.8727 2.9021 3.0026 3.0082 3.0964 3.1057 3.9319 4.0075 4.5085 4.5707 4.6788 4.7024 4.7297 4.7729 4.8180 4.8315 4.8879 4.8901 4.9644 4.9920 5.0933 5.0976 5.2138 5.2889 5.3023 5.3239 5.3694 5.4411 5.4744 5.5244 5.8397 5.8737 6.0846 6.0999 6.2338 6.2366 6.3459 6.3732 8.0657 8.2125 8.5253 8.6471 8.7658 8.7816 10.2079 10.2299 11.2072 11.2108 11.5004 11.5051 k = 0.5530 0.2392 0.2185 ( 5788 PWs) bands (ev): -8.6380 -8.6379 -8.5371 -8.5368 -6.8869 -6.8862 -6.7395 -6.7380 -4.0306 -4.0291 0.2859 0.3740 0.4480 0.4823 0.6300 0.6879 1.8170 1.8424 2.3079 2.3155 2.4617 2.5110 2.5485 2.5612 2.8051 2.8161 2.8896 2.9191 3.0117 3.0170 3.0930 3.1018 3.9083 3.9785 4.5003 4.5666 4.6825 4.6983 4.7322 4.7679 4.8153 4.8287 4.8878 4.8934 4.9559 4.9886 5.0950 5.0998 5.2210 5.2968 5.3044 5.3167 5.3586 5.4335 5.4974 5.5483 5.8446 5.8769 6.1003 6.1144 6.2448 6.2457 6.3662 6.3959 8.0795 8.2234 8.5211 8.6403 8.7615 8.7780 10.1974 10.2196 11.2044 11.2083 11.4031 11.4063 k = 0.5553 0.2518 0.2300 ( 5783 PWs) bands (ev): -8.6373 -8.6372 -8.5309 -8.5306 -6.8836 -6.8830 -6.7466 -6.7452 -4.0405 -4.0391 0.2652 0.3525 0.4236 0.4604 0.5981 0.6535 1.8522 1.8797 2.3357 2.3451 2.4797 2.5251 2.5555 2.5685 2.8156 2.8270 2.9076 2.9375 3.0202 3.0249 3.0907 3.0985 3.8811 3.9456 4.4922 4.5624 4.6860 4.6933 4.7351 4.7643 4.8130 4.8260 4.8877 4.8965 4.9480 4.9850 5.0966 5.1021 5.2273 5.3032 5.3053 5.3087 5.3479 5.4256 5.5250 5.5755 5.8497 5.8803 6.1156 6.1283 6.2507 6.2547 6.3888 6.4200 8.0919 8.2308 8.5178 8.6316 8.7579 8.7742 10.1889 10.2112 11.1975 11.2016 11.3066 11.3084 k = 0.5576 0.2643 0.2414 ( 5782 PWs) bands (ev): -8.6369 -8.6368 -8.5248 -8.5245 -6.8800 -6.8794 -6.7536 -6.7521 -4.0506 -4.0493 0.2448 0.3315 0.3998 0.4392 0.5672 0.6199 1.8905 1.9198 2.3621 2.3734 2.4978 2.5385 2.5625 2.5756 2.8256 2.8370 2.9266 2.9574 3.0280 3.0318 3.0895 3.0958 3.8504 3.9089 4.4844 4.5580 4.6876 4.6891 4.7383 4.7618 4.8114 4.8233 4.8875 4.8993 4.9406 4.9812 5.0980 5.1043 5.2329 5.2978 5.3045 5.3105 5.3388 5.4182 5.5558 5.6049 5.8548 5.8837 6.1305 6.1417 6.2550 6.2614 6.4127 6.4447 8.1026 8.2347 8.5155 8.6216 8.7547 8.7700 10.1828 10.2051 11.1857 11.1892 11.2137 11.2139 k = 0.5599 0.2769 0.2529 ( 5784 PWs) bands (ev): -8.6367 -8.6367 -8.5188 -8.5185 -6.8762 -6.8756 -6.7602 -6.7588 -4.0607 -4.0594 0.2247 0.3111 0.3766 0.4190 0.5373 0.5872 1.9316 1.9622 2.3867 2.4000 2.5156 2.5508 2.5700 2.5826 2.8351 2.8459 2.9469 2.9788 3.0350 3.0374 3.0896 3.0939 3.8161 3.8684 4.4768 4.5535 4.6817 4.6917 4.7418 4.7603 4.8101 4.8207 4.8872 4.9017 4.9338 4.9770 5.0994 5.1066 5.2377 5.2875 5.3015 5.3158 5.3327 5.4115 5.5889 5.6356 5.8598 5.8871 6.1449 6.1544 6.2580 6.2667 6.4369 6.4693 8.1117 8.2354 8.5144 8.6107 8.7516 8.7653 10.1794 10.2014 11.1153 11.1155 11.1775 11.1822 k = 0.5622 0.2895 0.2644 ( 5781 PWs) bands (ev): -8.6366 -8.6366 -8.5131 -8.5127 -6.8722 -6.8716 -6.7665 -6.7651 -4.0707 -4.0695 0.2052 0.2915 0.3544 0.3999 0.5088 0.5556 1.9751 2.0064 2.4092 2.4245 2.5331 2.5618 2.5781 2.5895 2.8439 2.8537 2.9682 3.0017 3.0409 3.0418 3.0912 3.0929 3.7783 3.8244 4.4695 4.5488 4.6760 4.6940 4.7455 4.7596 4.8093 4.8180 4.8869 4.9037 4.9274 4.9726 5.1008 5.1089 5.2415 5.2770 5.2965 5.3206 5.3300 5.4056 5.6235 5.6670 5.8646 5.8903 6.1588 6.1666 6.2601 6.2710 6.4609 6.4934 8.1192 8.2332 8.5142 8.5994 8.7482 8.7601 10.1788 10.2005 11.0244 11.0254 11.1628 11.1679 k = 0.5645 0.3021 0.2759 ( 5785 PWs) bands (ev): -8.6367 -8.6366 -8.5077 -8.5073 -6.8679 -6.8673 -6.7724 -6.7711 -4.0806 -4.0795 0.1866 0.2727 0.3332 0.3820 0.4818 0.5253 2.0203 2.0519 2.4295 2.4465 2.5500 2.5717 2.5873 2.5965 2.8522 2.8605 2.9903 3.0259 3.0455 3.0459 3.0930 3.0941 3.7371 3.7771 4.4627 4.5439 4.6707 4.6958 4.7493 4.7594 4.8087 4.8153 4.8867 4.9050 4.9214 4.9680 5.1021 5.1111 5.2439 5.2666 5.2913 5.3248 5.3299 5.4004 5.6590 5.6985 5.8693 5.8934 6.1722 6.1782 6.2614 6.2745 6.4842 6.5165 8.1251 8.2286 8.5149 8.5881 8.7444 8.7543 10.1812 10.2022 10.9368 10.9386 11.1471 11.1525 k = 0.5668 0.3146 0.2874 ( 5795 PWs) bands (ev): -8.6368 -8.6367 -8.5028 -8.5024 -6.8635 -6.8629 -6.7778 -6.7767 -4.0902 -4.0892 0.1690 0.2550 0.3132 0.3654 0.4566 0.4966 2.0667 2.0981 2.4473 2.4655 2.5663 2.5810 2.5969 2.6036 2.8599 2.8664 3.0119 3.0474 3.0500 3.0538 3.0943 3.0982 3.6927 3.7267 4.4563 4.5388 4.6660 4.6973 4.7531 4.7596 4.8083 4.8126 4.8866 4.9058 4.9160 4.9632 5.1035 5.1133 5.2444 5.2566 5.2875 5.3285 5.3313 5.3958 5.6946 5.7295 5.8736 5.8962 6.1849 6.1892 6.2621 6.2775 6.5064 6.5384 8.1293 8.2220 8.5161 8.5772 8.7400 8.7479 10.1866 10.2067 10.8539 10.8561 11.1301 11.1359 k = 0.5691 0.3272 0.2988 ( 5793 PWs) bands (ev): -8.6369 -8.6368 -8.4984 -8.4980 -6.8589 -6.8584 -6.7829 -6.7818 -4.0995 -4.0986 0.1527 0.2385 0.2945 0.3501 0.4333 0.4695 2.1135 2.1443 2.4624 2.4811 2.5816 2.5905 2.6065 2.6110 2.8673 2.8716 3.0287 3.0516 3.0596 3.0782 3.0977 3.1032 3.6453 3.6737 4.4505 4.5335 4.6621 4.6985 4.7569 4.7600 4.8080 4.8098 4.8868 4.9058 4.9111 4.9583 5.1049 5.1154 5.2430 5.2475 5.2862 5.3315 5.3337 5.3920 5.7297 5.7593 5.8778 5.8989 6.1969 6.1996 6.2623 6.2801 6.5272 6.5589 8.1319 8.2137 8.5177 8.5669 8.7350 8.7410 10.1948 10.2138 10.7763 10.7789 11.1120 11.1181 k = 0.5714 0.3398 0.3103 ( 5787 PWs) bands (ev): -8.6369 -8.6368 -8.4946 -8.4942 -6.8543 -6.8537 -6.7874 -6.7864 -4.1085 -4.1076 0.1377 0.2233 0.2773 0.3363 0.4122 0.4444 2.1598 2.1896 2.4748 2.4932 2.5956 2.6006 2.6156 2.6187 2.8747 2.8766 3.0368 3.0536 3.0773 3.0937 3.1104 3.1134 3.5951 3.6186 4.4454 4.5282 4.6592 4.6995 4.7604 4.7607 4.8070 4.8076 4.8872 4.9052 4.9068 4.9535 5.1063 5.1174 5.2394 5.2401 5.2871 5.3338 5.3370 5.3889 5.7634 5.7873 5.8819 5.9018 6.2082 6.2094 6.2621 6.2824 6.5465 6.5776 8.1326 8.2042 8.5193 8.5574 8.7296 8.7338 10.2060 10.2235 10.7049 10.7076 11.0926 11.0992 k = 0.5737 0.3523 0.3218 ( 5787 PWs) bands (ev): -8.6369 -8.6368 -8.4914 -8.4910 -6.8497 -6.8491 -6.7913 -6.7904 -4.1169 -4.1161 0.1244 0.2094 0.2616 0.3239 0.3932 0.4212 2.2049 2.2333 2.4846 2.5018 2.6077 2.6113 2.6239 2.6271 2.8815 2.8822 3.0400 3.0551 3.0944 3.0979 3.1238 3.1422 3.5424 3.5619 4.4411 4.5228 4.6571 4.7004 4.7614 4.7638 4.8042 4.8072 4.8874 4.9035 4.9041 4.9487 5.1077 5.1192 5.2323 5.2364 5.2896 5.3354 5.3409 5.3867 5.7946 5.8122 5.8865 5.9052 6.2185 6.2187 6.2616 6.2844 6.5639 6.5945 8.1314 8.1936 8.5207 8.5490 8.7239 8.7265 10.2199 10.2358 10.6404 10.6430 11.0721 11.0790 k = 0.5760 0.3649 0.3333 ( 5790 PWs) bands (ev): -8.6368 -8.6367 -8.4890 -8.4886 -6.8451 -6.8445 -6.7947 -6.7939 -4.1248 -4.1240 0.1129 0.1970 0.2478 0.3131 0.3766 0.4002 2.2476 2.2743 2.4920 2.5075 2.6173 2.6217 2.6318 2.6363 2.8867 2.8900 3.0420 3.0562 3.1007 3.1036 3.1471 3.1739 3.4878 3.5048 4.4378 4.5177 4.6560 4.7011 4.7622 4.7668 4.8014 4.8066 4.8872 4.9015 4.9023 4.9440 5.1091 5.1210 5.2264 5.2326 5.2933 5.3364 5.3454 5.3852 5.8215 5.8327 5.8926 5.9100 6.2270 6.2284 6.2610 6.2863 6.5794 6.6092 8.1283 8.1821 8.5218 8.5416 8.7181 8.7193 10.2364 10.2504 10.5834 10.5858 11.0503 11.0577 k = 0.5783 0.3775 0.3448 ( 5789 PWs) bands (ev): -8.6367 -8.6365 -8.4872 -8.4869 -6.8406 -6.8400 -6.7974 -6.7967 -4.1320 -4.1313 0.1032 0.1861 0.2359 0.3037 0.3622 0.3815 2.2869 2.3119 2.4972 2.5108 2.6242 2.6300 2.6403 2.6462 2.8923 2.8982 3.0436 3.0574 3.1031 3.1084 3.1746 3.2074 3.4318 3.4491 4.4354 4.5127 4.6559 4.7018 4.7630 4.7694 4.7986 4.8058 4.8863 4.9000 4.9011 4.9394 5.1105 5.1225 5.2216 5.2293 5.2977 5.3368 5.3503 5.3846 5.8415 5.8474 5.9021 5.9169 6.2348 6.2372 6.2605 6.2880 6.5928 6.6217 8.1231 8.1696 8.5225 8.5353 8.7126 8.7126 10.2553 10.2674 10.5345 10.5366 11.0272 11.0350 k = 0.5806 0.3900 0.3562 ( 5795 PWs) bands (ev): -8.6364 -8.6363 -8.4863 -8.4859 -6.8363 -6.8357 -6.7993 -6.7988 -4.1386 -4.1379 0.0956 0.1766 0.2264 0.2959 0.3501 0.3651 2.3215 2.3450 2.5006 2.5125 2.6288 2.6352 2.6502 2.6561 2.8984 2.9064 3.0453 3.0586 3.1049 3.1112 3.1996 3.2416 3.3763 3.3994 4.4341 4.5081 4.6567 4.7025 4.7637 4.7716 4.7958 4.8049 4.8850 4.8975 4.9020 4.9349 5.1118 5.1238 5.2180 5.2265 5.3028 5.3369 5.3556 5.3845 5.8530 5.8558 5.9158 5.9258 6.2420 6.2449 6.2605 6.2897 6.6039 6.6317 8.1158 8.1563 8.5225 8.5301 8.7067 8.7077 10.2766 10.2866 10.4942 10.4958 11.0027 11.0109 k = 0.5829 0.4026 0.3677 ( 5795 PWs) bands (ev): -8.6360 -8.6359 -8.4861 -8.4857 -6.8323 -6.8317 -6.8005 -6.8002 -4.1444 -4.1438 0.0901 0.1686 0.2193 0.2897 0.3404 0.3513 2.3503 2.3726 2.5027 2.5130 2.6316 2.6382 2.6602 2.6653 2.9044 2.9141 3.0473 3.0600 3.1061 3.1126 3.2108 3.2681 3.3304 3.3673 4.4339 4.5039 4.6585 4.7034 4.7642 4.7733 4.7930 4.8038 4.8838 4.8947 4.9036 4.9306 5.1133 5.1250 5.2157 5.2245 5.3084 5.3369 5.3611 5.3849 5.8576 5.8590 5.9315 5.9352 6.2486 6.2511 6.2619 6.2916 6.6126 6.6392 8.1063 8.1419 8.5219 8.5259 8.7020 8.7037 10.3000 10.3079 10.4629 10.4640 10.9767 10.9853 Writing output data file Cu3TeS3Cl.save init_run : 1.73s CPU 0.98s WALL ( 1 calls) electrons : 344.36s CPU 262.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 344.35s CPU 262.32s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.52s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.43s WALL ( 239 calls) cegterg : 289.18s CPU 230.95s WALL ( 304 calls) Called by sum_band: Called by *egterg: h_psi : 199.17s CPU 131.82s WALL ( 5085 calls) s_psi : 23.85s CPU 18.20s WALL ( 5085 calls) g_psi : 0.37s CPU 0.32s WALL ( 4542 calls) cdiaghg : 79.45s CPU 76.47s WALL ( 4781 calls) cegterg:over : 11.46s CPU 10.69s WALL ( 4542 calls) cegterg:upda : 9.97s CPU 9.23s WALL ( 4542 calls) cegterg:last : 4.34s CPU 4.30s WALL ( 782 calls) cdiaghg:chol : 4.60s CPU 4.47s WALL ( 4781 calls) cdiaghg:inve : 3.20s CPU 3.21s WALL ( 4781 calls) cdiaghg:para : 5.59s CPU 5.61s WALL ( 9562 calls) Called by h_psi: h_psi:vloc : 158.74s CPU 101.70s WALL ( 5085 calls) h_psi:vnl : 39.95s CPU 29.77s WALL ( 5085 calls) add_vuspsi : 23.80s CPU 17.24s WALL ( 5085 calls) General routines calbec : 16.11s CPU 12.51s WALL ( 5085 calls) fft : 0.11s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 151.29s CPU 95.94s WALL ( 794888 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.22s CPU 1.25s WALL ( 478 calls) Parallel routines fft_scatter : 53.62s CPU 40.34s WALL ( 794911 calls) PWSCF : 6m 7.98s CPU 5m 0.74s WALL This run was terminated on: 15:50:17 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=