Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbYS2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 39 11 1422 684 112 Max 64 40 12 1426 702 114 Sum 2297 1429 427 51265 24921 4075 bravais-lattice index = 14 lattice parameter (alat) = 15.0406 a.u. unit-cell volume = 727.3731 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.040575 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.870894 celldm(5)= 0.870894 celldm(6)= 0.870894 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.870894 0.491471 0.000000 ) a(3) = ( 0.870894 0.228778 0.434977 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.772014 -1.070164 ) b(2) = ( 0.000000 2.034707 -1.070164 ) b(3) = ( 0.000000 0.000000 2.298975 ) 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Rb 9.00 85.46780 Rb( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0108696 -0.0192610 -0.0116322), wk = 0.0033445 k( 3) = ( 0.0217391 -0.0385220 -0.0232644), wk = 0.0033445 k( 4) = ( 0.0326087 -0.0577831 -0.0348966), wk = 0.0033445 k( 5) = ( 0.0434783 -0.0770441 -0.0465289), wk = 0.0033445 k( 6) = ( 0.0543478 -0.0963051 -0.0581611), wk = 0.0033445 k( 7) = ( 0.0652174 -0.1155661 -0.0697933), wk = 0.0033445 k( 8) = ( 0.0760870 -0.1348272 -0.0814255), wk = 0.0033445 k( 9) = ( 0.0869565 -0.1540882 -0.0930577), wk = 0.0033445 k( 10) = ( 0.0978261 -0.1733492 -0.1046899), wk = 0.0033445 k( 11) = ( 0.1086957 -0.1926102 -0.1163221), wk = 0.0033445 k( 12) = ( 0.1195652 -0.2118712 -0.1279544), wk = 0.0033445 k( 13) = ( 0.1304348 -0.2311322 -0.1395866), wk = 0.0033445 k( 14) = ( 0.1413043 -0.2503933 -0.1512188), wk = 0.0033445 k( 15) = ( 0.1521739 -0.2696543 -0.1628510), wk = 0.0033445 k( 16) = ( 0.1630435 -0.2889153 -0.1744832), wk = 0.0033445 k( 17) = ( 0.1739130 -0.3081763 -0.1861154), wk = 0.0033445 k( 18) = ( 0.1847826 -0.3274374 -0.1977476), wk = 0.0033445 k( 19) = ( 0.1956522 -0.3466984 -0.2093799), wk = 0.0033445 k( 20) = ( 0.2065217 -0.3659594 -0.2210121), wk = 0.0033445 k( 21) = ( 0.2173913 -0.3852204 -0.2326443), wk = 0.0033445 k( 22) = ( 0.2282609 -0.4044814 -0.2442765), wk = 0.0033445 k( 23) = ( 0.2391304 -0.4237425 -0.2559087), wk = 0.0033445 k( 24) = ( 0.2500000 -0.4430035 -0.2675409), wk = 0.0033445 k( 25) = ( 0.2608696 -0.4622645 -0.2791731), wk = 0.0033445 k( 26) = ( 0.2717391 -0.4815255 -0.2908054), wk = 0.0033445 k( 27) = ( 0.2826087 -0.5007866 -0.3024376), wk = 0.0033445 k( 28) = ( 0.2934783 -0.5200476 -0.3140698), wk = 0.0033445 k( 29) = ( 0.3043478 -0.5393086 -0.3257020), wk = 0.0033445 k( 30) = ( 0.3152174 -0.5585696 -0.3373342), wk = 0.0033445 k( 31) = ( 0.3260870 -0.5778306 -0.3489664), wk = 0.0033445 k( 32) = ( 0.3369565 -0.5970916 -0.3605986), wk = 0.0033445 k( 33) = ( 0.3478261 -0.6163527 -0.3722309), wk = 0.0033445 k( 34) = ( 0.3586956 -0.6356137 -0.3838631), wk = 0.0033445 k( 35) = ( 0.3695652 -0.6548747 -0.3954953), wk = 0.0033445 k( 36) = ( 0.3804348 -0.6741357 -0.4071275), wk = 0.0033445 k( 37) = ( 0.3913044 -0.6933968 -0.4187597), wk = 0.0033445 k( 38) = ( 0.4021739 -0.7126578 -0.4303919), wk = 0.0033445 k( 39) = ( 0.4130435 -0.7319188 -0.4420241), wk = 0.0033445 k( 40) = ( 0.4239130 -0.7511798 -0.4536564), wk = 0.0033445 k( 41) = ( 0.4347826 -0.7704408 -0.4652886), wk = 0.0033445 k( 42) = ( 0.4456522 -0.7897019 -0.4769208), wk = 0.0033445 k( 43) = ( 0.4565217 -0.8089629 -0.4885530), wk = 0.0033445 k( 44) = ( 0.4673913 -0.8282239 -0.5001852), wk = 0.0033445 k( 45) = ( 0.4782609 -0.8474849 -0.5118174), wk = 0.0033445 k( 46) = ( 0.4891304 -0.8667459 -0.5234496), wk = 0.0033445 k( 47) = ( 0.5000000 -0.8860070 -0.5350819), wk = 0.0033445 k( 48) = ( 0.5000000 -0.8860070 -0.5350819), wk = 0.0033445 k( 49) = ( 0.5000000 -0.8732120 -0.5562682), wk = 0.0033445 k( 50) = ( 0.5000000 -0.8604170 -0.5774546), wk = 0.0033445 k( 51) = ( 0.5000000 -0.8476220 -0.5986410), wk = 0.0033445 k( 52) = ( 0.5000000 -0.8348270 -0.6198274), wk = 0.0033445 k( 53) = ( 0.5000000 -0.8220320 -0.6410138), wk = 0.0033445 k( 54) = ( 0.5000000 -0.8092370 -0.6622002), wk = 0.0033445 k( 55) = ( 0.5000000 -0.7964420 -0.6833866), wk = 0.0033445 k( 56) = ( 0.5000000 -0.7836470 -0.7045730), wk = 0.0033445 k( 57) = ( 0.5000000 -0.7708520 -0.7257594), wk = 0.0033445 k( 58) = ( 0.5000000 -0.7580570 -0.7469458), wk = 0.0033445 k( 59) = ( 0.5000000 -0.7452620 -0.7681322), wk = 0.0033445 k( 60) = ( 0.5000000 -0.7324670 -0.7893186), wk = 0.0033445 k( 61) = ( 0.5000000 -0.7196720 -0.8105050), wk = 0.0033445 k( 62) = ( 0.5000000 -0.7068770 -0.8316914), wk = 0.0033445 k( 63) = ( 0.5000000 -0.6940821 -0.8528777), wk = 0.0033445 k( 64) = ( 0.5000000 -0.6812871 -0.8740641), wk = 0.0033445 k( 65) = ( 0.5000000 -0.6684920 -0.8952506), wk = 0.0033445 k( 66) = ( 0.5000000 -0.6556971 -0.9164369), wk = 0.0033445 k( 67) = ( 0.5000000 -0.6429021 -0.9376233), wk = 0.0033445 k( 68) = ( 0.5000000 -0.6301071 -0.9588097), wk = 0.0033445 k( 69) = ( 0.5000000 -0.6173121 -0.9799961), wk = 0.0033445 k( 70) = ( 0.5000000 -0.6045171 -1.0011825), wk = 0.0033445 k( 71) = ( 0.5000000 -0.5917221 -1.0223689), wk = 0.0033445 k( 72) = ( 0.5000000 -0.5789271 -1.0435553), wk = 0.0033445 k( 73) = ( 0.5000000 -0.5661321 -1.0647417), wk = 0.0033445 k( 74) = ( 0.5000000 -0.5533371 -1.0859281), wk = 0.0033445 k( 75) = ( 0.5000000 -0.5405421 -1.1071145), wk = 0.0033445 k( 76) = ( 0.5000000 -0.5277471 -1.1283009), wk = 0.0033445 k( 77) = ( 0.5000000 -0.5149521 -1.1494872), wk = 0.0033445 k( 78) = ( 0.8176372 -0.4315110 -0.9908402), wk = 0.0033445 k( 79) = ( 0.8112845 -0.4202538 -0.9694369), wk = 0.0033445 k( 80) = ( 0.8049317 -0.4089967 -0.9480337), wk = 0.0033445 k( 81) = ( 0.7985790 -0.3977395 -0.9266304), wk = 0.0033445 k( 82) = ( 0.7922263 -0.3864824 -0.9052271), wk = 0.0033445 k( 83) = ( 0.7858735 -0.3752252 -0.8838238), wk = 0.0033445 k( 84) = ( 0.7795208 -0.3639680 -0.8624205), wk = 0.0033445 k( 85) = ( 0.7731680 -0.3527109 -0.8410173), wk = 0.0033445 k( 86) = ( 0.7668153 -0.3414537 -0.8196140), wk = 0.0033445 k( 87) = ( 0.7604625 -0.3301966 -0.7982107), wk = 0.0033445 k( 88) = ( 0.7541098 -0.3189394 -0.7768074), wk = 0.0033445 k( 89) = ( 0.7477570 -0.3076823 -0.7554042), wk = 0.0033445 k( 90) = ( 0.7414043 -0.2964251 -0.7340009), wk = 0.0033445 k( 91) = ( 0.7350515 -0.2851680 -0.7125976), wk = 0.0033445 k( 92) = ( 0.7286988 -0.2739108 -0.6911943), wk = 0.0033445 k( 93) = ( 0.7223461 -0.2626537 -0.6697911), wk = 0.0033445 k( 94) = ( 0.7159933 -0.2513965 -0.6483878), wk = 0.0033445 k( 95) = ( 0.7096406 -0.2401394 -0.6269845), wk = 0.0033445 k( 96) = ( 0.7032878 -0.2288822 -0.6055812), wk = 0.0033445 k( 97) = ( 0.6969351 -0.2176251 -0.5841780), wk = 0.0033445 k( 98) = ( 0.6905823 -0.2063679 -0.5627747), wk = 0.0033445 k( 99) = ( 0.6842296 -0.1951108 -0.5413714), wk = 0.0033445 k( 100) = ( 0.6778768 -0.1838536 -0.5199682), wk = 0.0033445 k( 101) = ( 0.6715241 -0.1725965 -0.4985649), wk = 0.0033445 k( 102) = ( 0.6651714 -0.1613393 -0.4771616), wk = 0.0033445 k( 103) = ( 0.6588186 -0.1500822 -0.4557583), wk = 0.0033445 k( 104) = ( 0.6524659 -0.1388250 -0.4343551), wk = 0.0033445 k( 105) = ( 0.6461131 -0.1275679 -0.4129518), wk = 0.0033445 k( 106) = ( 0.6397604 -0.1163107 -0.3915485), wk = 0.0033445 k( 107) = ( 0.6334076 -0.1050536 -0.3701452), wk = 0.0033445 k( 108) = ( 0.6270549 -0.0937964 -0.3487420), wk = 0.0033445 k( 109) = ( 0.6207021 -0.0825393 -0.3273387), wk = 0.0033445 k( 110) = ( 0.6143494 -0.0712821 -0.3059354), wk = 0.0033445 k( 111) = ( 0.6079967 -0.0600250 -0.2845321), wk = 0.0033445 k( 112) = ( 0.6016439 -0.0487678 -0.2631289), wk = 0.0033445 k( 113) = ( 0.5952912 -0.0375106 -0.2417256), wk = 0.0033445 k( 114) = ( 0.5889384 -0.0262535 -0.2203223), wk = 0.0033445 k( 115) = ( 0.5825857 -0.0149963 -0.1989190), wk = 0.0033445 k( 116) = ( 0.5762329 -0.0037392 -0.1775157), wk = 0.0033445 k( 117) = ( 0.5698802 0.0075180 -0.1561125), wk = 0.0033445 k( 118) = ( 0.5635275 0.0187751 -0.1347092), wk = 0.0033445 k( 119) = ( 0.5571747 0.0300323 -0.1133059), wk = 0.0033445 k( 120) = ( 0.5508220 0.0412894 -0.0919027), wk = 0.0033445 k( 121) = ( 0.5444692 0.0525466 -0.0704994), wk = 0.0033445 k( 122) = ( 0.5381165 0.0638037 -0.0490961), wk = 0.0033445 k( 123) = ( 0.5317637 0.0750609 -0.0276928), wk = 0.0033445 k( 124) = ( 0.5254110 0.0863180 -0.0062896), wk = 0.0033445 k( 125) = ( 0.5190582 0.0975752 0.0151137), wk = 0.0033445 k( 126) = ( 0.5127055 0.1088323 0.0365170), wk = 0.0033445 k( 127) = ( 0.5063527 0.1200895 0.0579203), wk = 0.0033445 k( 128) = ( 0.5000000 0.1313466 0.0793235), wk = 0.0033445 k( 129) = ( 0.5000000 0.1313466 0.0793235), wk = 0.0033445 k( 130) = ( 0.4761905 0.1250920 0.0755462), wk = 0.0033445 k( 131) = ( 0.4523810 0.1188374 0.0717689), wk = 0.0033445 k( 132) = ( 0.4285714 0.1125828 0.0679916), wk = 0.0033445 k( 133) = ( 0.4047619 0.1063282 0.0642143), wk = 0.0033445 k( 134) = ( 0.3809524 0.1000736 0.0604370), wk = 0.0033445 k( 135) = ( 0.3571429 0.0938190 0.0566597), wk = 0.0033445 k( 136) = ( 0.3333333 0.0875644 0.0528824), wk = 0.0033445 k( 137) = ( 0.3095238 0.0813098 0.0491050), wk = 0.0033445 k( 138) = ( 0.2857143 0.0750552 0.0453277), wk = 0.0033445 k( 139) = ( 0.2619048 0.0688006 0.0415504), wk = 0.0033445 k( 140) = ( 0.2380952 0.0625460 0.0377731), wk = 0.0033445 k( 141) = ( 0.2142857 0.0562914 0.0339958), wk = 0.0033445 k( 142) = ( 0.1904762 0.0500368 0.0302185), wk = 0.0033445 k( 143) = ( 0.1666667 0.0437822 0.0264412), wk = 0.0033445 k( 144) = ( 0.1428571 0.0375276 0.0226639), wk = 0.0033445 k( 145) = ( 0.1190476 0.0312730 0.0188866), wk = 0.0033445 k( 146) = ( 0.0952381 0.0250184 0.0151092), wk = 0.0033445 k( 147) = ( 0.0714286 0.0187638 0.0113319), wk = 0.0033445 k( 148) = ( 0.0476191 0.0125092 0.0075546), wk = 0.0033445 k( 149) = ( 0.0238095 0.0062546 0.0037773), wk = 0.0033445 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 152) = ( 0.0063182 -0.0111959 -0.0212868), wk = 0.0033445 k( 153) = ( 0.0126363 -0.0223918 -0.0425736), wk = 0.0033445 k( 154) = ( 0.0189545 -0.0335877 -0.0638604), wk = 0.0033445 k( 155) = ( 0.0252727 -0.0447836 -0.0851472), wk = 0.0033445 k( 156) = ( 0.0315909 -0.0559795 -0.1064340), wk = 0.0033445 k( 157) = ( 0.0379090 -0.0671753 -0.1277208), wk = 0.0033445 k( 158) = ( 0.0442272 -0.0783713 -0.1490076), wk = 0.0033445 k( 159) = ( 0.0505454 -0.0895671 -0.1702944), wk = 0.0033445 k( 160) = ( 0.0568636 -0.1007630 -0.1915812), wk = 0.0033445 k( 161) = ( 0.0631817 -0.1119589 -0.2128680), wk = 0.0033445 k( 162) = ( 0.0694999 -0.1231548 -0.2341548), wk = 0.0033445 k( 163) = ( 0.0758181 -0.1343507 -0.2554416), wk = 0.0033445 k( 164) = ( 0.0821363 -0.1455466 -0.2767284), wk = 0.0033445 k( 165) = ( 0.0884544 -0.1567425 -0.2980152), wk = 0.0033445 k( 166) = ( 0.0947726 -0.1679384 -0.3193020), wk = 0.0033445 k( 167) = ( 0.1010908 -0.1791343 -0.3405888), wk = 0.0033445 k( 168) = ( 0.1074090 -0.1903302 -0.3618756), wk = 0.0033445 k( 169) = ( 0.1137271 -0.2015261 -0.3831624), wk = 0.0033445 k( 170) = ( 0.1200453 -0.2127219 -0.4044492), wk = 0.0033445 k( 171) = ( 0.1263635 -0.2239178 -0.4257360), wk = 0.0033445 k( 172) = ( 0.1326817 -0.2351137 -0.4470228), wk = 0.0033445 k( 173) = ( 0.1389998 -0.2463096 -0.4683096), wk = 0.0033445 k( 174) = ( 0.1453180 -0.2575055 -0.4895964), wk = 0.0033445 k( 175) = ( 0.1516362 -0.2687014 -0.5108832), wk = 0.0033445 k( 176) = ( 0.1579543 -0.2798973 -0.5321700), wk = 0.0033445 k( 177) = ( 0.1642725 -0.2910932 -0.5534568), wk = 0.0033445 k( 178) = ( 0.1705907 -0.3022891 -0.5747436), wk = 0.0033445 k( 179) = ( 0.1769089 -0.3134850 -0.5960304), wk = 0.0033445 k( 180) = ( 0.1832270 -0.3246809 -0.6173172), wk = 0.0033445 k( 181) = ( 0.1895452 -0.3358768 -0.6386040), wk = 0.0033445 k( 182) = ( 0.1958634 -0.3470727 -0.6598908), wk = 0.0033445 k( 183) = ( 0.2021816 -0.3582685 -0.6811776), wk = 0.0033445 k( 184) = ( 0.2084997 -0.3694644 -0.7024644), wk = 0.0033445 k( 185) = ( 0.2148179 -0.3806603 -0.7237512), wk = 0.0033445 k( 186) = ( 0.2211361 -0.3918562 -0.7450380), wk = 0.0033445 k( 187) = ( 0.2274543 -0.4030521 -0.7663248), wk = 0.0033445 k( 188) = ( 0.2337724 -0.4142480 -0.7876116), wk = 0.0033445 k( 189) = ( 0.2400906 -0.4254439 -0.8088985), wk = 0.0033445 k( 190) = ( 0.2464088 -0.4366398 -0.8301852), wk = 0.0033445 k( 191) = ( 0.2527270 -0.4478357 -0.8514720), wk = 0.0033445 k( 192) = ( 0.2590451 -0.4590316 -0.8727588), wk = 0.0033445 k( 193) = ( 0.2653633 -0.4702275 -0.8940456), wk = 0.0033445 k( 194) = ( 0.2716815 -0.4814234 -0.9153324), wk = 0.0033445 k( 195) = ( 0.2779996 -0.4926193 -0.9366192), wk = 0.0033445 k( 196) = ( 0.2843178 -0.5038151 -0.9579060), wk = 0.0033445 k( 197) = ( 0.2906360 -0.5150110 -0.9791929), wk = 0.0033445 k( 198) = ( 0.2969542 -0.5262069 -1.0004796), wk = 0.0033445 k( 199) = ( 0.3032723 -0.5374028 -1.0217664), wk = 0.0033445 k( 200) = ( 0.3095905 -0.5485987 -1.0430533), wk = 0.0033445 k( 201) = ( 0.3159087 -0.5597946 -1.0643400), wk = 0.0033445 k( 202) = ( 0.3222269 -0.5709905 -1.0856269), wk = 0.0033445 k( 203) = ( 0.3285450 -0.5821864 -1.1069137), wk = 0.0033445 k( 204) = ( 0.3348632 -0.5933823 -1.1282004), wk = 0.0033445 k( 205) = ( 0.3411814 -0.6045782 -1.1494873), wk = 0.0033445 k( 206) = ( 0.6588186 -0.4732315 -1.0701637), wk = 0.0033445 k( 207) = ( 0.6524659 -0.4490484 -1.0701637), wk = 0.0033445 k( 208) = ( 0.6461131 -0.4248653 -1.0701637), wk = 0.0033445 k( 209) = ( 0.6397604 -0.4006822 -1.0701637), wk = 0.0033445 k( 210) = ( 0.6334076 -0.3764990 -1.0701637), wk = 0.0033445 k( 211) = ( 0.6270549 -0.3523159 -1.0701637), wk = 0.0033445 k( 212) = ( 0.6207021 -0.3281328 -1.0701637), wk = 0.0033445 k( 213) = ( 0.6143494 -0.3039496 -1.0701637), wk = 0.0033445 k( 214) = ( 0.6079967 -0.2797665 -1.0701637), wk = 0.0033445 k( 215) = ( 0.6016439 -0.2555834 -1.0701637), wk = 0.0033445 k( 216) = ( 0.5952912 -0.2314003 -1.0701637), wk = 0.0033445 k( 217) = ( 0.5889384 -0.2072171 -1.0701637), wk = 0.0033445 k( 218) = ( 0.5825857 -0.1830340 -1.0701637), wk = 0.0033445 k( 219) = ( 0.5762329 -0.1588509 -1.0701637), wk = 0.0033445 k( 220) = ( 0.5698802 -0.1346678 -1.0701637), wk = 0.0033445 k( 221) = ( 0.5635275 -0.1104847 -1.0701637), wk = 0.0033445 k( 222) = ( 0.5571747 -0.0863015 -1.0701637), wk = 0.0033445 k( 223) = ( 0.5508220 -0.0621184 -1.0701637), wk = 0.0033445 k( 224) = ( 0.5444692 -0.0379352 -1.0701637), wk = 0.0033445 k( 225) = ( 0.5381165 -0.0137521 -1.0701637), wk = 0.0033445 k( 226) = ( 0.5317637 0.0104310 -1.0701637), wk = 0.0033445 k( 227) = ( 0.5254110 0.0346141 -1.0701637), wk = 0.0033445 k( 228) = ( 0.5190582 0.0587973 -1.0701637), wk = 0.0033445 k( 229) = ( 0.5127055 0.0829804 -1.0701637), wk = 0.0033445 k( 230) = ( 0.5063527 0.1071635 -1.0701637), wk = 0.0033445 k( 231) = ( 0.5000000 0.1313466 -1.0701637), wk = 0.0033445 k( 232) = ( 0.5000000 0.1313466 -1.0701637), wk = 0.0033445 k( 233) = ( 0.5198523 0.1365617 -1.0602483), wk = 0.0033445 k( 234) = ( 0.5397047 0.1417768 -1.0503328), wk = 0.0033445 k( 235) = ( 0.5595570 0.1469918 -1.0404174), wk = 0.0033445 k( 236) = ( 0.5794093 0.1522069 -1.0305020), wk = 0.0033445 k( 237) = ( 0.5992616 0.1574220 -1.0205865), wk = 0.0033445 k( 238) = ( 0.6191140 0.1626371 -1.0106711), wk = 0.0033445 k( 239) = ( 0.6389663 0.1678521 -1.0007556), wk = 0.0033445 k( 240) = ( 0.6588186 0.1730672 -0.9908402), wk = 0.0033445 k( 241) = ( 0.6588186 0.1730672 -0.9908402), wk = 0.0033445 k( 242) = ( 0.6551252 0.1720970 -0.9659527), wk = 0.0033445 k( 243) = ( 0.6514317 0.1711267 -0.9410651), wk = 0.0033445 k( 244) = ( 0.6477382 0.1701565 -0.9161776), wk = 0.0033445 k( 245) = ( 0.6440448 0.1691862 -0.8912901), wk = 0.0033445 k( 246) = ( 0.6403513 0.1682160 -0.8664026), wk = 0.0033445 k( 247) = ( 0.6366579 0.1672457 -0.8415150), wk = 0.0033445 k( 248) = ( 0.6329644 0.1662755 -0.8166275), wk = 0.0033445 k( 249) = ( 0.6292710 0.1653052 -0.7917400), wk = 0.0033445 k( 250) = ( 0.6255775 0.1643350 -0.7668524), wk = 0.0033445 k( 251) = ( 0.6218841 0.1633648 -0.7419649), wk = 0.0033445 k( 252) = ( 0.6181906 0.1623945 -0.7170774), wk = 0.0033445 k( 253) = ( 0.6144971 0.1614243 -0.6921899), wk = 0.0033445 k( 254) = ( 0.6108037 0.1604540 -0.6673023), wk = 0.0033445 k( 255) = ( 0.6071102 0.1594838 -0.6424148), wk = 0.0033445 k( 256) = ( 0.6034168 0.1585135 -0.6175273), wk = 0.0033445 k( 257) = ( 0.5997233 0.1575433 -0.5926397), wk = 0.0033445 k( 258) = ( 0.5960299 0.1565730 -0.5677522), wk = 0.0033445 k( 259) = ( 0.5923364 0.1556028 -0.5428647), wk = 0.0033445 k( 260) = ( 0.5886429 0.1546325 -0.5179771), wk = 0.0033445 k( 261) = ( 0.5849495 0.1536623 -0.4930896), wk = 0.0033445 k( 262) = ( 0.5812560 0.1526920 -0.4682021), wk = 0.0033445 k( 263) = ( 0.5775626 0.1517218 -0.4433146), wk = 0.0033445 k( 264) = ( 0.5738691 0.1507516 -0.4184270), wk = 0.0033445 k( 265) = ( 0.5701757 0.1497813 -0.3935395), wk = 0.0033445 k( 266) = ( 0.5664822 0.1488111 -0.3686520), wk = 0.0033445 k( 267) = ( 0.5627887 0.1478408 -0.3437644), wk = 0.0033445 k( 268) = ( 0.5590953 0.1468706 -0.3188769), wk = 0.0033445 k( 269) = ( 0.5554018 0.1459003 -0.2939894), wk = 0.0033445 k( 270) = ( 0.5517084 0.1449301 -0.2691019), wk = 0.0033445 k( 271) = ( 0.5480149 0.1439598 -0.2442143), wk = 0.0033445 k( 272) = ( 0.5443215 0.1429896 -0.2193268), wk = 0.0033445 k( 273) = ( 0.5406280 0.1420193 -0.1944393), wk = 0.0033445 k( 274) = ( 0.5369346 0.1410491 -0.1695517), wk = 0.0033445 k( 275) = ( 0.5332411 0.1400788 -0.1446642), wk = 0.0033445 k( 276) = ( 0.5295477 0.1391086 -0.1197767), wk = 0.0033445 k( 277) = ( 0.5258542 0.1381384 -0.0948892), wk = 0.0033445 k( 278) = ( 0.5221607 0.1371681 -0.0700016), wk = 0.0033445 k( 279) = ( 0.5184673 0.1361979 -0.0451141), wk = 0.0033445 k( 280) = ( 0.5147738 0.1352276 -0.0202266), wk = 0.0033445 k( 281) = ( 0.5110804 0.1342574 0.0046609), wk = 0.0033445 k( 282) = ( 0.5073869 0.1332871 0.0295485), wk = 0.0033445 k( 283) = ( 0.5036935 0.1323169 0.0544360), wk = 0.0033445 k( 284) = ( 0.5000000 0.1313466 0.0793235), wk = 0.0033445 k( 285) = ( 0.5000000 -0.8860070 -0.5350819), wk = 0.0033445 k( 286) = ( 0.5226884 -0.8766251 -0.5294159), wk = 0.0033445 k( 287) = ( 0.5453767 -0.8672432 -0.5237499), wk = 0.0033445 k( 288) = ( 0.5680651 -0.8578613 -0.5180840), wk = 0.0033445 k( 289) = ( 0.5907535 -0.8484793 -0.5124180), wk = 0.0033445 k( 290) = ( 0.6134419 -0.8390975 -0.5067520), wk = 0.0033445 k( 291) = ( 0.6361302 -0.8297156 -0.5010861), wk = 0.0033445 k( 292) = ( 0.6588186 -0.8203337 -0.4954201), wk = 0.0033445 k( 293) = ( 0.6815070 -0.8109518 -0.4897541), wk = 0.0033445 k( 294) = ( 0.7041954 -0.8015698 -0.4840882), wk = 0.0033445 k( 295) = ( 0.7268837 -0.7921879 -0.4784222), wk = 0.0033445 k( 296) = ( 0.7495721 -0.7828060 -0.4727562), wk = 0.0033445 k( 297) = ( 0.7722605 -0.7734241 -0.4670903), wk = 0.0033445 k( 298) = ( 0.7949489 -0.7640422 -0.4614243), wk = 0.0033445 k( 299) = ( 0.8176372 -0.7546603 -0.4557583), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0108696 -0.0000000 0.0000000), wk = 0.0033445 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0033445 k( 4) = ( 0.0326087 0.0000000 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0033445 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0033445 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0033445 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0033445 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0033445 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0033445 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0033445 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1413043 0.0000000 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0033445 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0033445 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0033445 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0033445 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0033445 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033445 k( 25) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0033445 k( 26) = ( 0.2717391 -0.0000000 0.0000000), wk = 0.0033445 k( 27) = ( 0.2826087 0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.2934783 -0.0000000 0.0000000), wk = 0.0033445 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0033445 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0033445 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0033445 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0033445 k( 36) = ( 0.3804348 -0.0000000 0.0000000), wk = 0.0033445 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0033445 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4239130 -0.0000000 0.0000000), wk = 0.0033445 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0033445 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0033445 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0033445 k( 46) = ( 0.4891304 -0.0000000 0.0000000), wk = 0.0033445 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 49) = ( 0.5000000 0.0062884 -0.0062884), wk = 0.0033445 k( 50) = ( 0.5000000 0.0125767 -0.0125767), wk = 0.0033445 k( 51) = ( 0.5000000 0.0188651 -0.0188651), wk = 0.0033445 k( 52) = ( 0.5000000 0.0251535 -0.0251535), wk = 0.0033445 k( 53) = ( 0.5000000 0.0314419 -0.0314419), wk = 0.0033445 k( 54) = ( 0.5000000 0.0377302 -0.0377302), wk = 0.0033445 k( 55) = ( 0.5000000 0.0440186 -0.0440186), wk = 0.0033445 k( 56) = ( 0.5000000 0.0503070 -0.0503070), wk = 0.0033445 k( 57) = ( 0.5000000 0.0565953 -0.0565953), wk = 0.0033445 k( 58) = ( 0.5000000 0.0628837 -0.0628837), wk = 0.0033445 k( 59) = ( 0.5000000 0.0691721 -0.0691721), wk = 0.0033445 k( 60) = ( 0.5000000 0.0754605 -0.0754605), wk = 0.0033445 k( 61) = ( 0.5000000 0.0817488 -0.0817488), wk = 0.0033445 k( 62) = ( 0.5000000 0.0880372 -0.0880372), wk = 0.0033445 k( 63) = ( 0.5000000 0.0943256 -0.0943256), wk = 0.0033445 k( 64) = ( 0.5000000 0.1006139 -0.1006139), wk = 0.0033445 k( 65) = ( 0.5000000 0.1069023 -0.1069023), wk = 0.0033445 k( 66) = ( 0.5000000 0.1131907 -0.1131907), wk = 0.0033445 k( 67) = ( 0.5000000 0.1194791 -0.1194791), wk = 0.0033445 k( 68) = ( 0.5000000 0.1257674 -0.1257674), wk = 0.0033445 k( 69) = ( 0.5000000 0.1320558 -0.1320558), wk = 0.0033445 k( 70) = ( 0.5000000 0.1383442 -0.1383442), wk = 0.0033445 k( 71) = ( 0.5000000 0.1446325 -0.1446325), wk = 0.0033445 k( 72) = ( 0.5000000 0.1509209 -0.1509209), wk = 0.0033445 k( 73) = ( 0.5000000 0.1572093 -0.1572093), wk = 0.0033445 k( 74) = ( 0.5000000 0.1634977 -0.1634977), wk = 0.0033445 k( 75) = ( 0.5000000 0.1697860 -0.1697860), wk = 0.0033445 k( 76) = ( 0.5000000 0.1760744 -0.1760744), wk = 0.0033445 k( 77) = ( 0.5000000 0.1823628 -0.1823628), wk = 0.0033445 k( 78) = ( 0.8176372 0.5000000 0.1823628), wk = 0.0033445 k( 79) = ( 0.8112845 0.5000000 0.1887155), wk = 0.0033445 k( 80) = ( 0.8049317 0.5000000 0.1950683), wk = 0.0033445 k( 81) = ( 0.7985790 0.5000000 0.2014210), wk = 0.0033445 k( 82) = ( 0.7922263 0.5000000 0.2077738), wk = 0.0033445 k( 83) = ( 0.7858735 0.5000000 0.2141265), wk = 0.0033445 k( 84) = ( 0.7795208 0.5000000 0.2204792), wk = 0.0033445 k( 85) = ( 0.7731680 0.5000000 0.2268320), wk = 0.0033445 k( 86) = ( 0.7668153 0.5000000 0.2331847), wk = 0.0033445 k( 87) = ( 0.7604625 0.5000000 0.2395375), wk = 0.0033445 k( 88) = ( 0.7541098 0.5000000 0.2458902), wk = 0.0033445 k( 89) = ( 0.7477570 0.5000000 0.2522430), wk = 0.0033445 k( 90) = ( 0.7414043 0.5000000 0.2585957), wk = 0.0033445 k( 91) = ( 0.7350515 0.5000000 0.2649485), wk = 0.0033445 k( 92) = ( 0.7286988 0.5000000 0.2713012), wk = 0.0033445 k( 93) = ( 0.7223461 0.5000000 0.2776539), wk = 0.0033445 k( 94) = ( 0.7159933 0.5000000 0.2840067), wk = 0.0033445 k( 95) = ( 0.7096406 0.5000000 0.2903594), wk = 0.0033445 k( 96) = ( 0.7032878 0.5000000 0.2967122), wk = 0.0033445 k( 97) = ( 0.6969351 0.5000000 0.3030649), wk = 0.0033445 k( 98) = ( 0.6905823 0.5000000 0.3094177), wk = 0.0033445 k( 99) = ( 0.6842296 0.5000000 0.3157704), wk = 0.0033445 k( 100) = ( 0.6778768 0.5000000 0.3221232), wk = 0.0033445 k( 101) = ( 0.6715241 0.5000000 0.3284759), wk = 0.0033445 k( 102) = ( 0.6651714 0.5000000 0.3348286), wk = 0.0033445 k( 103) = ( 0.6588186 0.5000000 0.3411814), wk = 0.0033445 k( 104) = ( 0.6524659 0.5000000 0.3475341), wk = 0.0033445 k( 105) = ( 0.6461131 0.5000000 0.3538869), wk = 0.0033445 k( 106) = ( 0.6397604 0.5000000 0.3602396), wk = 0.0033445 k( 107) = ( 0.6334076 0.5000000 0.3665924), wk = 0.0033445 k( 108) = ( 0.6270549 0.5000000 0.3729451), wk = 0.0033445 k( 109) = ( 0.6207021 0.5000000 0.3792979), wk = 0.0033445 k( 110) = ( 0.6143494 0.5000000 0.3856506), wk = 0.0033445 k( 111) = ( 0.6079967 0.5000000 0.3920033), wk = 0.0033445 k( 112) = ( 0.6016439 0.5000000 0.3983561), wk = 0.0033445 k( 113) = ( 0.5952912 0.5000000 0.4047088), wk = 0.0033445 k( 114) = ( 0.5889384 0.5000000 0.4110616), wk = 0.0033445 k( 115) = ( 0.5825857 0.5000000 0.4174143), wk = 0.0033445 k( 116) = ( 0.5762329 0.5000000 0.4237671), wk = 0.0033445 k( 117) = ( 0.5698802 0.5000000 0.4301198), wk = 0.0033445 k( 118) = ( 0.5635275 0.5000000 0.4364726), wk = 0.0033445 k( 119) = ( 0.5571747 0.5000000 0.4428253), wk = 0.0033445 k( 120) = ( 0.5508220 0.5000000 0.4491780), wk = 0.0033445 k( 121) = ( 0.5444692 0.5000000 0.4555308), wk = 0.0033445 k( 122) = ( 0.5381165 0.5000000 0.4618835), wk = 0.0033445 k( 123) = ( 0.5317637 0.5000000 0.4682363), wk = 0.0033445 k( 124) = ( 0.5254110 0.5000000 0.4745890), wk = 0.0033445 k( 125) = ( 0.5190582 0.5000000 0.4809418), wk = 0.0033445 k( 126) = ( 0.5127055 0.5000000 0.4872945), wk = 0.0033445 k( 127) = ( 0.5063527 0.5000000 0.4936473), wk = 0.0033445 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 130) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0033445 k( 131) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0033445 k( 132) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0033445 k( 133) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0033445 k( 134) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0033445 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0033445 k( 136) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033445 k( 137) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0033445 k( 138) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0033445 k( 139) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0033445 k( 140) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0033445 k( 141) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0033445 k( 142) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0033445 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033445 k( 144) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0033445 k( 145) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0033445 k( 146) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0033445 k( 147) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0033445 k( 148) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0033445 k( 149) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0033445 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 152) = ( 0.0063182 -0.0000000 -0.0063182), wk = 0.0033445 k( 153) = ( 0.0126363 -0.0000000 -0.0126363), wk = 0.0033445 k( 154) = ( 0.0189545 -0.0000000 -0.0189545), wk = 0.0033445 k( 155) = ( 0.0252727 -0.0000000 -0.0252727), wk = 0.0033445 k( 156) = ( 0.0315909 -0.0000000 -0.0315909), wk = 0.0033445 k( 157) = ( 0.0379090 -0.0000000 -0.0379090), wk = 0.0033445 k( 158) = ( 0.0442272 -0.0000000 -0.0442272), wk = 0.0033445 k( 159) = ( 0.0505454 0.0000000 -0.0505454), wk = 0.0033445 k( 160) = ( 0.0568636 0.0000000 -0.0568636), wk = 0.0033445 k( 161) = ( 0.0631817 -0.0000000 -0.0631817), wk = 0.0033445 k( 162) = ( 0.0694999 -0.0000000 -0.0694999), wk = 0.0033445 k( 163) = ( 0.0758181 0.0000000 -0.0758181), wk = 0.0033445 k( 164) = ( 0.0821363 -0.0000000 -0.0821363), wk = 0.0033445 k( 165) = ( 0.0884544 -0.0000000 -0.0884544), wk = 0.0033445 k( 166) = ( 0.0947726 -0.0000000 -0.0947726), wk = 0.0033445 k( 167) = ( 0.1010908 0.0000000 -0.1010908), wk = 0.0033445 k( 168) = ( 0.1074090 0.0000000 -0.1074090), wk = 0.0033445 k( 169) = ( 0.1137271 0.0000000 -0.1137271), wk = 0.0033445 k( 170) = ( 0.1200453 -0.0000000 -0.1200453), wk = 0.0033445 k( 171) = ( 0.1263635 -0.0000000 -0.1263635), wk = 0.0033445 k( 172) = ( 0.1326817 0.0000000 -0.1326816), wk = 0.0033445 k( 173) = ( 0.1389998 -0.0000000 -0.1389998), wk = 0.0033445 k( 174) = ( 0.1453180 -0.0000000 -0.1453180), wk = 0.0033445 k( 175) = ( 0.1516362 0.0000000 -0.1516362), wk = 0.0033445 k( 176) = ( 0.1579543 -0.0000000 -0.1579543), wk = 0.0033445 k( 177) = ( 0.1642725 -0.0000000 -0.1642725), wk = 0.0033445 k( 178) = ( 0.1705907 0.0000000 -0.1705907), wk = 0.0033445 k( 179) = ( 0.1769089 0.0000000 -0.1769089), wk = 0.0033445 k( 180) = ( 0.1832270 -0.0000000 -0.1832270), wk = 0.0033445 k( 181) = ( 0.1895452 0.0000000 -0.1895452), wk = 0.0033445 k( 182) = ( 0.1958634 0.0000000 -0.1958634), wk = 0.0033445 k( 183) = ( 0.2021816 0.0000000 -0.2021816), wk = 0.0033445 k( 184) = ( 0.2084997 -0.0000000 -0.2084997), wk = 0.0033445 k( 185) = ( 0.2148179 0.0000000 -0.2148179), wk = 0.0033445 k( 186) = ( 0.2211361 -0.0000000 -0.2211361), wk = 0.0033445 k( 187) = ( 0.2274543 0.0000000 -0.2274543), wk = 0.0033445 k( 188) = ( 0.2337724 0.0000000 -0.2337724), wk = 0.0033445 k( 189) = ( 0.2400906 -0.0000000 -0.2400906), wk = 0.0033445 k( 190) = ( 0.2464088 0.0000000 -0.2464088), wk = 0.0033445 k( 191) = ( 0.2527270 0.0000000 -0.2527269), wk = 0.0033445 k( 192) = ( 0.2590451 0.0000000 -0.2590451), wk = 0.0033445 k( 193) = ( 0.2653633 0.0000000 -0.2653633), wk = 0.0033445 k( 194) = ( 0.2716815 -0.0000000 -0.2716815), wk = 0.0033445 k( 195) = ( 0.2779996 0.0000000 -0.2779996), wk = 0.0033445 k( 196) = ( 0.2843178 0.0000000 -0.2843178), wk = 0.0033445 k( 197) = ( 0.2906360 -0.0000000 -0.2906360), wk = 0.0033445 k( 198) = ( 0.2969542 -0.0000000 -0.2969542), wk = 0.0033445 k( 199) = ( 0.3032723 0.0000000 -0.3032723), wk = 0.0033445 k( 200) = ( 0.3095905 0.0000000 -0.3095905), wk = 0.0033445 k( 201) = ( 0.3159087 0.0000000 -0.3159087), wk = 0.0033445 k( 202) = ( 0.3222269 0.0000000 -0.3222269), wk = 0.0033445 k( 203) = ( 0.3285450 -0.0000000 -0.3285450), wk = 0.0033445 k( 204) = ( 0.3348632 -0.0000000 -0.3348632), wk = 0.0033445 k( 205) = ( 0.3411814 -0.0000000 -0.3411814), wk = 0.0033445 k( 206) = ( 0.6588186 0.3411814 0.0000000), wk = 0.0033445 k( 207) = ( 0.6524659 0.3475341 0.0000000), wk = 0.0033445 k( 208) = ( 0.6461131 0.3538869 0.0000000), wk = 0.0033445 k( 209) = ( 0.6397604 0.3602396 0.0000000), wk = 0.0033445 k( 210) = ( 0.6334076 0.3665924 -0.0000000), wk = 0.0033445 k( 211) = ( 0.6270549 0.3729451 -0.0000000), wk = 0.0033445 k( 212) = ( 0.6207021 0.3792978 0.0000000), wk = 0.0033445 k( 213) = ( 0.6143494 0.3856506 -0.0000000), wk = 0.0033445 k( 214) = ( 0.6079967 0.3920033 0.0000000), wk = 0.0033445 k( 215) = ( 0.6016439 0.3983561 0.0000000), wk = 0.0033445 k( 216) = ( 0.5952912 0.4047088 0.0000000), wk = 0.0033445 k( 217) = ( 0.5889384 0.4110616 0.0000000), wk = 0.0033445 k( 218) = ( 0.5825857 0.4174143 0.0000000), wk = 0.0033445 k( 219) = ( 0.5762329 0.4237671 0.0000000), wk = 0.0033445 k( 220) = ( 0.5698802 0.4301198 0.0000000), wk = 0.0033445 k( 221) = ( 0.5635275 0.4364726 -0.0000000), wk = 0.0033445 k( 222) = ( 0.5571747 0.4428253 0.0000000), wk = 0.0033445 k( 223) = ( 0.5508220 0.4491780 -0.0000000), wk = 0.0033445 k( 224) = ( 0.5444692 0.4555308 0.0000000), wk = 0.0033445 k( 225) = ( 0.5381165 0.4618835 0.0000000), wk = 0.0033445 k( 226) = ( 0.5317637 0.4682363 0.0000000), wk = 0.0033445 k( 227) = ( 0.5254110 0.4745890 0.0000000), wk = 0.0033445 k( 228) = ( 0.5190582 0.4809418 0.0000000), wk = 0.0033445 k( 229) = ( 0.5127055 0.4872945 0.0000000), wk = 0.0033445 k( 230) = ( 0.5063527 0.4936473 0.0000000), wk = 0.0033445 k( 231) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033445 k( 232) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033445 k( 233) = ( 0.5198523 0.5198523 0.0227954), wk = 0.0033445 k( 234) = ( 0.5397047 0.5397047 0.0455907), wk = 0.0033445 k( 235) = ( 0.5595570 0.5595570 0.0683860), wk = 0.0033445 k( 236) = ( 0.5794093 0.5794093 0.0911814), wk = 0.0033445 k( 237) = ( 0.5992616 0.5992616 0.1139767), wk = 0.0033445 k( 238) = ( 0.6191140 0.6191140 0.1367721), wk = 0.0033445 k( 239) = ( 0.6389663 0.6389663 0.1595674), wk = 0.0033445 k( 240) = ( 0.6588186 0.6588186 0.1823628), wk = 0.0033445 k( 241) = ( 0.6588186 0.6588186 0.1823628), wk = 0.0033445 k( 242) = ( 0.6551252 0.6551252 0.1897497), wk = 0.0033445 k( 243) = ( 0.6514317 0.6514317 0.1971366), wk = 0.0033445 k( 244) = ( 0.6477382 0.6477382 0.2045235), wk = 0.0033445 k( 245) = ( 0.6440448 0.6440448 0.2119104), wk = 0.0033445 k( 246) = ( 0.6403513 0.6403513 0.2192973), wk = 0.0033445 k( 247) = ( 0.6366579 0.6366579 0.2266843), wk = 0.0033445 k( 248) = ( 0.6329644 0.6329644 0.2340712), wk = 0.0033445 k( 249) = ( 0.6292710 0.6292710 0.2414581), wk = 0.0033445 k( 250) = ( 0.6255775 0.6255775 0.2488450), wk = 0.0033445 k( 251) = ( 0.6218841 0.6218841 0.2562319), wk = 0.0033445 k( 252) = ( 0.6181906 0.6181906 0.2636188), wk = 0.0033445 k( 253) = ( 0.6144971 0.6144971 0.2710057), wk = 0.0033445 k( 254) = ( 0.6108037 0.6108037 0.2783926), wk = 0.0033445 k( 255) = ( 0.6071102 0.6071102 0.2857795), wk = 0.0033445 k( 256) = ( 0.6034168 0.6034168 0.2931665), wk = 0.0033445 k( 257) = ( 0.5997233 0.5997233 0.3005534), wk = 0.0033445 k( 258) = ( 0.5960299 0.5960299 0.3079403), wk = 0.0033445 k( 259) = ( 0.5923364 0.5923364 0.3153272), wk = 0.0033445 k( 260) = ( 0.5886429 0.5886429 0.3227141), wk = 0.0033445 k( 261) = ( 0.5849495 0.5849495 0.3301010), wk = 0.0033445 k( 262) = ( 0.5812560 0.5812560 0.3374879), wk = 0.0033445 k( 263) = ( 0.5775626 0.5775626 0.3448748), wk = 0.0033445 k( 264) = ( 0.5738691 0.5738691 0.3522618), wk = 0.0033445 k( 265) = ( 0.5701757 0.5701757 0.3596487), wk = 0.0033445 k( 266) = ( 0.5664822 0.5664822 0.3670356), wk = 0.0033445 k( 267) = ( 0.5627887 0.5627888 0.3744225), wk = 0.0033445 k( 268) = ( 0.5590953 0.5590953 0.3818094), wk = 0.0033445 k( 269) = ( 0.5554018 0.5554018 0.3891963), wk = 0.0033445 k( 270) = ( 0.5517084 0.5517084 0.3965832), wk = 0.0033445 k( 271) = ( 0.5480149 0.5480149 0.4039701), wk = 0.0033445 k( 272) = ( 0.5443215 0.5443215 0.4113571), wk = 0.0033445 k( 273) = ( 0.5406280 0.5406280 0.4187440), wk = 0.0033445 k( 274) = ( 0.5369346 0.5369346 0.4261309), wk = 0.0033445 k( 275) = ( 0.5332411 0.5332411 0.4335178), wk = 0.0033445 k( 276) = ( 0.5295477 0.5295477 0.4409047), wk = 0.0033445 k( 277) = ( 0.5258542 0.5258542 0.4482916), wk = 0.0033445 k( 278) = ( 0.5221607 0.5221607 0.4556785), wk = 0.0033445 k( 279) = ( 0.5184673 0.5184673 0.4630654), wk = 0.0033445 k( 280) = ( 0.5147738 0.5147738 0.4704524), wk = 0.0033445 k( 281) = ( 0.5110804 0.5110804 0.4778393), wk = 0.0033445 k( 282) = ( 0.5073869 0.5073869 0.4852262), wk = 0.0033445 k( 283) = ( 0.5036935 0.5036935 0.4926131), wk = 0.0033445 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 285) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 286) = ( 0.5226884 0.0243701 0.0243701), wk = 0.0033445 k( 287) = ( 0.5453767 0.0487402 0.0487402), wk = 0.0033445 k( 288) = ( 0.5680651 0.0731103 0.0731103), wk = 0.0033445 k( 289) = ( 0.5907535 0.0974804 0.0974804), wk = 0.0033445 k( 290) = ( 0.6134419 0.1218505 0.1218505), wk = 0.0033445 k( 291) = ( 0.6361302 0.1462206 0.1462206), wk = 0.0033445 k( 292) = ( 0.6588186 0.1705907 0.1705907), wk = 0.0033445 k( 293) = ( 0.6815070 0.1949608 0.1949608), wk = 0.0033445 k( 294) = ( 0.7041954 0.2193309 0.2193309), wk = 0.0033445 k( 295) = ( 0.7268837 0.2437010 0.2437010), wk = 0.0033445 k( 296) = ( 0.7495721 0.2680711 0.2680711), wk = 0.0033445 k( 297) = ( 0.7722605 0.2924412 0.2924412), wk = 0.0033445 k( 298) = ( 0.7949489 0.3168113 0.3168113), wk = 0.0033445 k( 299) = ( 0.8176372 0.3411814 0.3411814), wk = 0.0033445 Dense grid: 51265 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 24921 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 178, 40) NL pseudopotentials 0.18 Mb ( 89, 136) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1423) G-vector shells 0.01 Mb ( 1195) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 178, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./RbYS2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.5 secs Computing kpt #: 21 total cpu time spent up to now is 13.0 secs Computing kpt #: 22 total cpu time spent up to now is 13.5 secs Computing kpt #: 23 total cpu time spent up to now is 13.9 secs Computing kpt #: 24 total cpu time spent up to now is 14.4 secs Computing kpt #: 25 total cpu time spent up to now is 14.9 secs Computing kpt #: 26 total cpu time spent up to now is 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 18.9 secs Computing kpt #: 34 total cpu time spent up to now is 19.4 secs Computing kpt #: 35 total cpu time spent up to now is 19.9 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 20.9 secs Computing kpt #: 38 total cpu time spent up to now is 21.4 secs Computing kpt #: 39 total cpu time spent up to now is 21.9 secs Computing kpt #: 40 total cpu time spent up to now is 22.4 secs Computing kpt #: 41 total cpu time spent up to now is 22.9 secs Computing kpt #: 42 total cpu time spent up to now is 23.4 secs Computing kpt #: 43 total cpu time spent up to now is 23.8 secs Computing kpt #: 44 total cpu time spent up to now is 24.3 secs Computing kpt #: 45 total cpu time spent up to now is 24.8 secs Computing kpt #: 46 total cpu time spent up to now is 25.3 secs Computing kpt #: 47 total cpu time spent up to now is 25.8 secs Computing kpt #: 48 total cpu time spent up to now is 26.3 secs Computing kpt #: 49 total cpu time spent up to now is 26.7 secs Computing kpt #: 50 total cpu time spent up to now is 27.2 secs Computing kpt #: 51 total cpu time spent up to now is 27.7 secs Computing kpt #: 52 total cpu time spent up to now is 28.2 secs Computing kpt #: 53 total cpu time spent up to now is 28.7 secs Computing kpt #: 54 total cpu time spent up to now is 29.2 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.2 secs Computing kpt #: 59 total cpu time spent up to now is 31.7 secs Computing kpt #: 60 total cpu time spent up to now is 32.2 secs Computing kpt #: 61 total cpu time spent up to now is 32.7 secs Computing kpt #: 62 total cpu time spent up to now is 33.2 secs Computing kpt #: 63 total cpu time spent up to now is 33.7 secs Computing kpt #: 64 total cpu time spent up to now is 34.3 secs Computing kpt #: 65 total cpu time spent up to now is 34.8 secs Computing kpt #: 66 total cpu time spent up to now is 35.3 secs Computing kpt #: 67 total cpu time spent up to now is 35.8 secs Computing kpt #: 68 total cpu time spent up to now is 36.3 secs Computing kpt #: 69 total cpu time spent up to now is 36.8 secs Computing kpt #: 70 total cpu time spent up to now is 37.3 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.3 secs Computing kpt #: 73 total cpu time spent up to now is 38.8 secs Computing kpt #: 74 total cpu time spent up to now is 39.3 secs Computing kpt #: 75 total cpu time spent up to now is 39.8 secs Computing kpt #: 76 total cpu time spent up to now is 40.4 secs Computing kpt #: 77 total cpu time spent up to now is 41.0 secs Computing kpt #: 78 total cpu time spent up to now is 41.6 secs Computing kpt #: 79 total cpu time spent up to now is 42.2 secs Computing kpt #: 80 total cpu time spent up to now is 42.8 secs Computing kpt #: 81 total cpu time spent up to now is 43.4 secs Computing kpt #: 82 total cpu time spent up to now is 44.0 secs Computing kpt #: 83 total cpu time spent up to now is 44.6 secs Computing kpt #: 84 total cpu time spent up to now is 45.2 secs Computing kpt #: 85 total cpu time spent up to now is 45.8 secs Computing kpt #: 86 total cpu time spent up to now is 46.4 secs Computing kpt #: 87 total cpu time spent up to now is 47.0 secs Computing kpt #: 88 total cpu time spent up to now is 47.6 secs Computing kpt #: 89 total cpu time spent up to now is 48.1 secs Computing kpt #: 90 total cpu time spent up to now is 48.7 secs Computing kpt #: 91 total cpu time spent up to now is 49.3 secs Computing kpt #: 92 total cpu time spent up to now is 49.9 secs Computing kpt #: 93 total cpu time spent up to now is 50.4 secs Computing kpt #: 94 total cpu time spent up to now is 50.9 secs Computing kpt #: 95 total cpu time spent up to now is 51.4 secs Computing kpt #: 96 total cpu time spent up to now is 51.9 secs Computing kpt #: 97 total cpu time spent up to now is 52.4 secs Computing kpt #: 98 total cpu time spent up to now is 52.9 secs Computing kpt #: 99 total cpu time spent up to now is 53.3 secs Computing kpt #: 100 total cpu time spent up to now is 53.8 secs Computing kpt #: 101 total cpu time spent up to now is 54.3 secs Computing kpt #: 102 total cpu time spent up to now is 54.8 secs Computing kpt #: 103 total cpu time spent up to now is 55.3 secs Computing kpt #: 104 total cpu time spent up to now is 55.8 secs Computing kpt #: 105 total cpu time spent up to now is 56.3 secs Computing kpt #: 106 total cpu time spent up to now is 56.7 secs Computing kpt #: 107 total cpu time spent up to now is 57.2 secs Computing kpt #: 108 total cpu time spent up to now is 57.7 secs Computing kpt #: 109 total cpu time spent up to now is 58.1 secs Computing kpt #: 110 total cpu time spent up to now is 58.6 secs Computing kpt #: 111 total cpu time spent up to now is 59.1 secs Computing kpt #: 112 total cpu time spent up to now is 59.5 secs Computing kpt #: 113 total cpu time spent up to now is 60.0 secs Computing kpt #: 114 total cpu time spent up to now is 60.4 secs Computing kpt #: 115 total cpu time spent up to now is 60.9 secs Computing kpt #: 116 total cpu time spent up to now is 61.4 secs Computing kpt #: 117 total cpu time spent up to now is 61.9 secs Computing kpt #: 118 total cpu time spent up to now is 62.4 secs Computing kpt #: 119 total cpu time spent up to now is 62.9 secs Computing kpt #: 120 total cpu time spent up to now is 63.4 secs Computing kpt #: 121 total cpu time spent up to now is 63.9 secs Computing kpt #: 122 total cpu time spent up to now is 64.4 secs Computing kpt #: 123 total cpu time spent up to now is 64.9 secs Computing kpt #: 124 total cpu time spent up to now is 65.4 secs Computing kpt #: 125 total cpu time spent up to now is 65.9 secs Computing kpt #: 126 total cpu time spent up to now is 66.4 secs Computing kpt #: 127 total cpu time spent up to now is 66.8 secs Computing kpt #: 128 total cpu time spent up to now is 67.3 secs Computing kpt #: 129 total cpu time spent up to now is 67.8 secs Computing kpt #: 130 total cpu time spent up to now is 68.2 secs Computing kpt #: 131 total cpu time spent up to now is 68.7 secs Computing kpt #: 132 total cpu time spent up to now is 69.1 secs Computing kpt #: 133 total cpu time spent up to now is 69.6 secs Computing kpt #: 134 total cpu time spent up to now is 70.1 secs Computing kpt #: 135 total cpu time spent up to now is 70.5 secs Computing kpt #: 136 total cpu time spent up to now is 71.0 secs Computing kpt #: 137 total cpu time spent up to now is 71.5 secs Computing kpt #: 138 total cpu time spent up to now is 71.9 secs Computing kpt #: 139 total cpu time spent up to now is 72.3 secs Computing kpt #: 140 total cpu time spent up to now is 72.8 secs Computing kpt #: 141 total cpu time spent up to now is 73.2 secs Computing kpt #: 142 total cpu time spent up to now is 73.7 secs Computing kpt #: 143 total cpu time spent up to now is 74.1 secs Computing kpt #: 144 total cpu time spent up to now is 74.5 secs Computing kpt #: 145 total cpu time spent up to now is 74.9 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 75.8 secs Computing kpt #: 148 total cpu time spent up to now is 76.2 secs Computing kpt #: 149 total cpu time spent up to now is 76.6 secs Computing kpt #: 150 total cpu time spent up to now is 77.0 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 77.9 secs Computing kpt #: 153 total cpu time spent up to now is 78.3 secs Computing kpt #: 154 total cpu time spent up to now is 78.7 secs Computing kpt #: 155 total cpu time spent up to now is 79.1 secs Computing kpt #: 156 total cpu time spent up to now is 79.5 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.4 secs Computing kpt #: 159 total cpu time spent up to now is 80.8 secs Computing kpt #: 160 total cpu time spent up to now is 81.3 secs Computing kpt #: 161 total cpu time spent up to now is 81.7 secs Computing kpt #: 162 total cpu time spent up to now is 82.2 secs Computing kpt #: 163 total cpu time spent up to now is 82.6 secs Computing kpt #: 164 total cpu time spent up to now is 83.0 secs Computing kpt #: 165 total cpu time spent up to now is 83.5 secs Computing kpt #: 166 total cpu time spent up to now is 84.0 secs Computing kpt #: 167 total cpu time spent up to now is 84.4 secs Computing kpt #: 168 total cpu time spent up to now is 84.9 secs Computing kpt #: 169 total cpu time spent up to now is 85.4 secs Computing kpt #: 170 total cpu time spent up to now is 85.8 secs Computing kpt #: 171 total cpu time spent up to now is 86.3 secs Computing kpt #: 172 total cpu time spent up to now is 86.8 secs Computing kpt #: 173 total cpu time spent up to now is 87.3 secs Computing kpt #: 174 total cpu time spent up to now is 87.7 secs Computing kpt #: 175 total cpu time spent up to now is 88.2 secs Computing kpt #: 176 total cpu time spent up to now is 88.7 secs Computing kpt #: 177 total cpu time spent up to now is 89.2 secs Computing kpt #: 178 total cpu time spent up to now is 89.7 secs Computing kpt #: 179 total cpu time spent up to now is 90.1 secs Computing kpt #: 180 total cpu time spent up to now is 90.6 secs Computing kpt #: 181 total cpu time spent up to now is 91.1 secs Computing kpt #: 182 total cpu time spent up to now is 91.6 secs Computing kpt #: 183 total cpu time spent up to now is 92.1 secs Computing kpt #: 184 total cpu time spent up to now is 92.6 secs Computing kpt #: 185 total cpu time spent up to now is 93.1 secs Computing kpt #: 186 total cpu time spent up to now is 93.6 secs Computing kpt #: 187 total cpu time spent up to now is 94.2 secs Computing kpt #: 188 total cpu time spent up to now is 95.0 secs Computing kpt #: 189 total cpu time spent up to now is 95.8 secs Computing kpt #: 190 total cpu time spent up to now is 96.4 secs Computing kpt #: 191 total cpu time spent up to now is 96.9 secs Computing kpt #: 192 total cpu time spent up to now is 97.5 secs Computing kpt #: 193 total cpu time spent up to now is 98.1 secs Computing kpt #: 194 total cpu time spent up to now is 98.7 secs Computing kpt #: 195 total cpu time spent up to now is 99.2 secs Computing kpt #: 196 total cpu time spent up to now is 99.8 secs Computing kpt #: 197 total cpu time spent up to now is 100.4 secs Computing kpt #: 198 total cpu time spent up to now is 100.9 secs Computing kpt #: 199 total cpu time spent up to now is 101.3 secs Computing kpt #: 200 total cpu time spent up to now is 101.8 secs Computing kpt #: 201 total cpu time spent up to now is 102.3 secs Computing kpt #: 202 total cpu time spent up to now is 102.8 secs Computing kpt #: 203 total cpu time spent up to now is 103.3 secs Computing kpt #: 204 total cpu time spent up to now is 103.8 secs Computing kpt #: 205 total cpu time spent up to now is 104.4 secs Computing kpt #: 206 total cpu time spent up to now is 105.0 secs Computing kpt #: 207 total cpu time spent up to now is 105.5 secs Computing kpt #: 208 total cpu time spent up to now is 106.1 secs Computing kpt #: 209 total cpu time spent up to now is 106.7 secs Computing kpt #: 210 total cpu time spent up to now is 107.3 secs Computing kpt #: 211 total cpu time spent up to now is 107.9 secs Computing kpt #: 212 total cpu time spent up to now is 108.4 secs Computing kpt #: 213 total cpu time spent up to now is 108.9 secs Computing kpt #: 214 total cpu time spent up to now is 109.4 secs Computing kpt #: 215 total cpu time spent up to now is 110.0 secs Computing kpt #: 216 total cpu time spent up to now is 110.6 secs Computing kpt #: 217 total cpu time spent up to now is 111.2 secs Computing kpt #: 218 total cpu time spent up to now is 111.7 secs Computing kpt #: 219 total cpu time spent up to now is 112.3 secs Computing kpt #: 220 total cpu time spent up to now is 112.9 secs Computing kpt #: 221 total cpu time spent up to now is 113.5 secs Computing kpt #: 222 total cpu time spent up to now is 114.1 secs Computing kpt #: 223 total cpu time spent up to now is 114.7 secs Computing kpt #: 224 total cpu time spent up to now is 115.3 secs Computing kpt #: 225 total cpu time spent up to now is 115.9 secs Computing kpt #: 226 total cpu time spent up to now is 116.5 secs Computing kpt #: 227 total cpu time spent up to now is 117.0 secs Computing kpt #: 228 total cpu time spent up to now is 117.6 secs Computing kpt #: 229 total cpu time spent up to now is 118.2 secs Computing kpt #: 230 total cpu time spent up to now is 118.8 secs Computing kpt #: 231 total cpu time spent up to now is 119.4 secs Computing kpt #: 232 total cpu time spent up to now is 120.0 secs Computing kpt #: 233 total cpu time spent up to now is 120.6 secs Computing kpt #: 234 total cpu time spent up to now is 121.1 secs Computing kpt #: 235 total cpu time spent up to now is 121.7 secs Computing kpt #: 236 total cpu time spent up to now is 122.3 secs Computing kpt #: 237 total cpu time spent up to now is 122.9 secs Computing kpt #: 238 total cpu time spent up to now is 123.5 secs Computing kpt #: 239 total cpu time spent up to now is 124.0 secs Computing kpt #: 240 total cpu time spent up to now is 124.6 secs Computing kpt #: 241 total cpu time spent up to now is 125.1 secs Computing kpt #: 242 total cpu time spent up to now is 125.7 secs Computing kpt #: 243 total cpu time spent up to now is 126.2 secs Computing kpt #: 244 total cpu time spent up to now is 126.7 secs Computing kpt #: 245 total cpu time spent up to now is 127.2 secs Computing kpt #: 246 total cpu time spent up to now is 127.7 secs Computing kpt #: 247 total cpu time spent up to now is 128.2 secs Computing kpt #: 248 total cpu time spent up to now is 128.7 secs Computing kpt #: 249 total cpu time spent up to now is 129.2 secs Computing kpt #: 250 total cpu time spent up to now is 129.7 secs Computing kpt #: 251 total cpu time spent up to now is 130.2 secs Computing kpt #: 252 total cpu time spent up to now is 130.7 secs Computing kpt #: 253 total cpu time spent up to now is 131.1 secs Computing kpt #: 254 total cpu time spent up to now is 131.6 secs Computing kpt #: 255 total cpu time spent up to now is 132.1 secs Computing kpt #: 256 total cpu time spent up to now is 132.5 secs Computing kpt #: 257 total cpu time spent up to now is 133.0 secs Computing kpt #: 258 total cpu time spent up to now is 133.5 secs Computing kpt #: 259 total cpu time spent up to now is 133.9 secs Computing kpt #: 260 total cpu time spent up to now is 134.4 secs Computing kpt #: 261 total cpu time spent up to now is 134.8 secs Computing kpt #: 262 total cpu time spent up to now is 135.3 secs Computing kpt #: 263 total cpu time spent up to now is 135.7 secs Computing kpt #: 264 total cpu time spent up to now is 136.2 secs Computing kpt #: 265 total cpu time spent up to now is 136.6 secs Computing kpt #: 266 total cpu time spent up to now is 137.1 secs Computing kpt #: 267 total cpu time spent up to now is 137.5 secs Computing kpt #: 268 total cpu time spent up to now is 138.0 secs Computing kpt #: 269 total cpu time spent up to now is 138.4 secs Computing kpt #: 270 total cpu time spent up to now is 138.9 secs Computing kpt #: 271 total cpu time spent up to now is 139.4 secs Computing kpt #: 272 total cpu time spent up to now is 139.9 secs Computing kpt #: 273 total cpu time spent up to now is 140.4 secs Computing kpt #: 274 total cpu time spent up to now is 140.9 secs Computing kpt #: 275 total cpu time spent up to now is 141.4 secs Computing kpt #: 276 total cpu time spent up to now is 141.9 secs Computing kpt #: 277 total cpu time spent up to now is 142.4 secs Computing kpt #: 278 total cpu time spent up to now is 142.9 secs Computing kpt #: 279 total cpu time spent up to now is 143.4 secs Computing kpt #: 280 total cpu time spent up to now is 143.9 secs Computing kpt #: 281 total cpu time spent up to now is 144.3 secs Computing kpt #: 282 total cpu time spent up to now is 144.8 secs Computing kpt #: 283 total cpu time spent up to now is 145.3 secs Computing kpt #: 284 total cpu time spent up to now is 145.7 secs Computing kpt #: 285 total cpu time spent up to now is 146.2 secs Computing kpt #: 286 total cpu time spent up to now is 146.7 secs Computing kpt #: 287 total cpu time spent up to now is 147.2 secs Computing kpt #: 288 total cpu time spent up to now is 147.7 secs Computing kpt #: 289 total cpu time spent up to now is 148.2 secs Computing kpt #: 290 total cpu time spent up to now is 148.7 secs Computing kpt #: 291 total cpu time spent up to now is 149.2 secs Computing kpt #: 292 total cpu time spent up to now is 149.7 secs Computing kpt #: 293 total cpu time spent up to now is 150.2 secs Computing kpt #: 294 total cpu time spent up to now is 150.7 secs Computing kpt #: 295 total cpu time spent up to now is 151.2 secs Computing kpt #: 296 total cpu time spent up to now is 151.7 secs Computing kpt #: 297 total cpu time spent up to now is 152.2 secs Computing kpt #: 298 total cpu time spent up to now is 152.8 secs Computing kpt #: 299 total cpu time spent up to now is 153.4 secs ethr = 3.13E-08, avg # of iterations = 18.7 total cpu time spent up to now is 153.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3471 -5.3471 -5.1224 -5.1224 -4.1951 -4.1951 -3.4981 -3.4981 -3.2168 -3.2168 3.1252 3.1252 4.3377 4.3377 4.3700 4.3700 5.7024 5.7024 5.9314 5.9314 5.9969 5.9969 9.3672 9.3672 9.4684 9.4684 9.4725 9.4725 9.8364 9.8364 k = 0.0109-0.0193-0.0116 ( 3127 PWs) bands (ev): -35.3946 -35.3946 -19.8541 -19.8541 -16.3593 -16.3593 -14.9690 -14.9690 -14.8626 -14.8626 -5.3466 -5.3466 -5.1220 -5.1220 -4.1954 -4.1954 -3.4984 -3.4984 -3.2173 -3.2173 3.1266 3.1266 4.3373 4.3373 4.3697 4.3697 5.7025 5.7025 5.9280 5.9280 5.9933 5.9933 9.3696 9.3696 9.4690 9.4690 9.4741 9.4741 9.8404 9.8404 k = 0.0217-0.0385-0.0233 ( 3125 PWs) bands (ev): -35.3946 -35.3946 -19.8539 -19.8539 -16.3594 -16.3594 -14.9691 -14.9691 -14.8630 -14.8630 -5.3451 -5.3451 -5.1208 -5.1208 -4.1964 -4.1964 -3.4996 -3.4996 -3.2187 -3.2187 3.1310 3.1310 4.3361 4.3361 4.3688 4.3688 5.7027 5.7027 5.9171 5.9171 5.9834 5.9834 9.3765 9.3765 9.4687 9.4687 9.4811 9.4811 9.8524 9.8524 k = 0.0326-0.0578-0.0349 ( 3121 PWs) bands (ev): -35.3945 -35.3945 -19.8536 -19.8536 -16.3597 -16.3597 -14.9692 -14.9692 -14.8638 -14.8638 -5.3426 -5.3426 -5.1188 -5.1188 -4.1980 -4.1980 -3.5015 -3.5015 -3.2212 -3.2212 3.1382 3.1382 4.3333 4.3333 4.3682 4.3682 5.7028 5.7028 5.8971 5.8971 5.9693 5.9693 9.3875 9.3875 9.4670 9.4670 9.4936 9.4936 9.8726 9.8726 k = 0.0435-0.0770-0.0465 ( 3121 PWs) bands (ev): -35.3944 -35.3944 -19.8532 -19.8532 -16.3601 -16.3601 -14.9693 -14.9693 -14.8649 -14.8649 -5.3391 -5.3391 -5.1162 -5.1162 -4.2003 -4.2003 -3.5042 -3.5042 -3.2245 -3.2245 3.1483 3.1483 4.3283 4.3283 4.3685 4.3685 5.7023 5.7023 5.8669 5.8669 5.9533 5.9533 9.4018 9.4018 9.4644 9.4644 9.5111 9.5111 9.9010 9.9010 k = 0.0543-0.0963-0.0582 ( 3118 PWs) bands (ev): -35.3943 -35.3943 -19.8527 -19.8527 -16.3606 -16.3606 -14.9695 -14.9695 -14.8662 -14.8662 -5.3347 -5.3347 -5.1128 -5.1128 -4.2032 -4.2032 -3.5076 -3.5076 -3.2288 -3.2288 3.1611 3.1611 4.3206 4.3206 4.3703 4.3703 5.6999 5.6999 5.8279 5.8279 5.9365 5.9365 9.4164 9.4164 9.4633 9.4633 9.5333 9.5333 9.9374 9.9374 k = 0.0652-0.1156-0.0698 ( 3113 PWs) bands (ev): -35.3942 -35.3942 -19.8520 -19.8520 -16.3612 -16.3612 -14.9697 -14.9697 -14.8679 -14.8679 -5.3292 -5.3292 -5.1088 -5.1088 -4.2067 -4.2067 -3.5117 -3.5117 -3.2339 -3.2339 3.1765 3.1765 4.3104 4.3104 4.3736 4.3736 5.6914 5.6914 5.7851 5.7851 5.9187 5.9187 9.4228 9.4228 9.4718 9.4718 9.5600 9.5600 9.9813 9.9813 k = 0.0761-0.1348-0.0814 ( 3113 PWs) bands (ev): -35.3940 -35.3940 -19.8513 -19.8513 -16.3619 -16.3619 -14.9700 -14.9700 -14.8698 -14.8698 -5.3228 -5.3228 -5.1042 -5.1042 -4.2107 -4.2107 -3.5164 -3.5164 -3.2398 -3.2398 3.1945 3.1945 4.2979 4.2979 4.3781 4.3781 5.6654 5.6654 5.7516 5.7516 5.8996 5.8996 9.4167 9.4167 9.4938 9.4938 9.5908 9.5908 10.0316 10.0316 k = 0.0870-0.1541-0.0931 ( 3115 PWs) bands (ev): -35.3938 -35.3938 -19.8504 -19.8504 -16.3627 -16.3627 -14.9703 -14.9703 -14.8720 -14.8720 -5.3154 -5.3154 -5.0991 -5.0991 -4.2152 -4.2152 -3.5218 -3.5218 -3.2465 -3.2465 3.2148 3.2148 4.2836 4.2836 4.3836 4.3836 5.6136 5.6136 5.7366 5.7366 5.8791 5.8791 9.4036 9.4036 9.5239 9.5239 9.6256 9.6256 10.0871 10.0871 k = 0.0978-0.1733-0.1047 ( 3117 PWs) bands (ev): -35.3937 -35.3937 -19.8495 -19.8495 -16.3636 -16.3636 -14.9707 -14.9707 -14.8744 -14.8744 -5.3071 -5.3071 -5.0935 -5.0935 -4.2202 -4.2202 -3.5278 -3.5278 -3.2539 -3.2539 3.2374 3.2374 4.2676 4.2676 4.3901 4.3901 5.5463 5.5463 5.7309 5.7309 5.8575 5.8575 9.3867 9.3867 9.5588 9.5588 9.6640 9.6640 10.1464 10.1464 k = 0.1087-0.1926-0.1163 ( 3111 PWs) bands (ev): -35.3934 -35.3934 -19.8484 -19.8484 -16.3646 -16.3646 -14.9711 -14.9711 -14.8770 -14.8770 -5.2979 -5.2979 -5.0876 -5.0876 -4.2257 -4.2257 -3.5343 -3.5343 -3.2620 -3.2620 3.2619 3.2619 4.2504 4.2504 4.3974 4.3974 5.4713 5.4713 5.7273 5.7273 5.8351 5.8351 9.3672 9.3672 9.5974 9.5974 9.7056 9.7056 10.2081 10.2081 k = 0.1196-0.2119-0.1280 ( 3113 PWs) bands (ev): -35.3932 -35.3932 -19.8473 -19.8473 -16.3657 -16.3657 -14.9716 -14.9716 -14.8797 -14.8797 -5.2878 -5.2878 -5.0814 -5.0814 -4.2315 -4.2315 -3.5412 -3.5412 -3.2706 -3.2706 3.2882 3.2882 4.2320 4.2320 4.4054 4.4054 5.3917 5.3917 5.7233 5.7233 5.8125 5.8125 9.3458 9.3458 9.6391 9.6391 9.7500 9.7500 10.2708 10.2708 k = 0.1304-0.2311-0.1396 ( 3114 PWs) bands (ev): -35.3929 -35.3929 -19.8461 -19.8461 -16.3669 -16.3669 -14.9722 -14.9722 -14.8827 -14.8827 -5.2769 -5.2769 -5.0750 -5.0750 -4.2376 -4.2376 -3.5486 -3.5486 -3.2797 -3.2797 3.3161 3.3161 4.2127 4.2127 4.4140 4.4140 5.3091 5.3091 5.7170 5.7170 5.7909 5.7909 9.3227 9.3227 9.6836 9.6836 9.7970 9.7970 10.3329 10.3329 k = 0.1413-0.2504-0.1512 ( 3113 PWs) bands (ev): -35.3927 -35.3927 -19.8448 -19.8448 -16.3682 -16.3682 -14.9729 -14.9729 -14.8857 -14.8857 -5.2652 -5.2652 -5.0684 -5.0684 -4.2439 -4.2439 -3.5564 -3.5564 -3.2893 -3.2893 3.3453 3.3453 4.1928 4.1928 4.4232 4.4232 5.2247 5.2247 5.7064 5.7064 5.7717 5.7717 9.2984 9.2984 9.7305 9.7305 9.8462 9.8462 10.3930 10.3930 k = 0.1522-0.2697-0.1629 ( 3107 PWs) bands (ev): -35.3924 -35.3924 -19.8434 -19.8434 -16.3695 -16.3695 -14.9737 -14.9737 -14.8889 -14.8889 -5.2528 -5.2528 -5.0617 -5.0617 -4.2504 -4.2504 -3.5644 -3.5644 -3.2992 -3.2992 3.3754 3.3754 4.1725 4.1725 4.4328 4.4328 5.1395 5.1395 5.6902 5.6902 5.7564 5.7564 9.2731 9.2731 9.7794 9.7794 9.8971 9.8971 10.4497 10.4497 k = 0.1630-0.2889-0.1745 ( 3100 PWs) bands (ev): -35.3920 -35.3920 -19.8419 -19.8419 -16.3710 -16.3710 -14.9746 -14.9746 -14.8921 -14.8921 -5.2398 -5.2398 -5.0550 -5.0550 -4.2570 -4.2570 -3.5727 -3.5727 -3.3095 -3.3095 3.4061 3.4061 4.1519 4.1519 4.4428 4.4428 5.0545 5.0545 5.6687 5.6687 5.7445 5.7445 9.2470 9.2470 9.8303 9.8303 9.9494 9.9494 10.5019 10.5019 k = 0.1739-0.3082-0.1861 ( 3100 PWs) bands (ev): -35.3917 -35.3917 -19.8404 -19.8404 -16.3725 -16.3725 -14.9756 -14.9756 -14.8953 -14.8953 -5.2264 -5.2264 -5.0482 -5.0482 -4.2637 -4.2637 -3.5812 -3.5812 -3.3201 -3.3201 3.4370 3.4370 4.1313 4.1313 4.4531 4.4531 4.9704 4.9704 5.6438 5.6438 5.7341 5.7341 9.2203 9.2203 9.8827 9.8827 10.0028 10.0028 10.5484 10.5484 k = 0.1848-0.3274-0.1977 ( 3101 PWs) bands (ev): -35.3914 -35.3914 -19.8389 -19.8389 -16.3740 -16.3740 -14.9767 -14.9767 -14.8986 -14.8986 -5.2128 -5.2128 -5.0412 -5.0412 -4.2703 -4.2703 -3.5899 -3.5899 -3.3309 -3.3309 3.4677 3.4677 4.1107 4.1107 4.4636 4.4636 4.8880 4.8880 5.6170 5.6170 5.7237 5.7237 9.1932 9.1932 9.9366 9.9366 10.0570 10.0570 10.5885 10.5885 k = 0.1957-0.3467-0.2094 ( 3099 PWs) bands (ev): -35.3911 -35.3911 -19.8372 -19.8372 -16.3757 -16.3757 -14.9780 -14.9780 -14.9018 -14.9018 -5.1990 -5.1990 -5.0340 -5.0340 -4.2768 -4.2768 -3.5986 -3.5986 -3.3418 -3.3418 3.4977 3.4977 4.0905 4.0905 4.4743 4.4743 4.8082 4.8082 5.5893 5.5893 5.7123 5.7123 9.1658 9.1658 9.9917 9.9917 10.1115 10.1115 10.6221 10.6221 k = 0.2065-0.3660-0.2210 ( 3103 PWs) bands (ev): -35.3907 -35.3907 -19.8356 -19.8356 -16.3773 -16.3773 -14.9795 -14.9795 -14.9049 -14.9049 -5.1856 -5.1856 -5.0263 -5.0263 -4.2832 -4.2832 -3.6073 -3.6073 -3.3530 -3.3530 3.5262 3.5262 4.0706 4.0706 4.4850 4.4850 4.7320 4.7320 5.5612 5.5612 5.6996 5.6996 9.1382 9.1382 10.0480 10.0480 10.1662 10.1662 10.6491 10.6491 k = 0.2174-0.3852-0.2326 ( 3103 PWs) bands (ev): -35.3904 -35.3904 -19.8339 -19.8339 -16.3790 -16.3790 -14.9811 -14.9811 -14.9079 -14.9079 -5.1728 -5.1728 -5.0179 -5.0179 -4.2894 -4.2894 -3.6160 -3.6160 -3.3642 -3.3642 3.5526 3.5526 4.0511 4.0511 4.4957 4.4957 4.6603 4.6603 5.5331 5.5331 5.6850 5.6850 9.1107 9.1107 10.1053 10.1053 10.2208 10.2208 10.6701 10.6701 k = 0.2283-0.4045-0.2443 ( 3107 PWs) bands (ev): -35.3900 -35.3900 -19.8322 -19.8322 -16.3808 -16.3808 -14.9829 -14.9829 -14.9107 -14.9107 -5.1610 -5.1610 -5.0084 -5.0084 -4.2953 -4.2953 -3.6247 -3.6247 -3.3754 -3.3754 3.5761 3.5761 4.0321 4.0321 4.5062 4.5062 4.5942 4.5942 5.5053 5.5053 5.6684 5.6684 9.0833 9.0833 10.1635 10.1635 10.2750 10.2750 10.6853 10.6853 k = 0.2391-0.4237-0.2559 ( 3106 PWs) bands (ev): -35.3897 -35.3897 -19.8304 -19.8304 -16.3826 -16.3826 -14.9849 -14.9849 -14.9134 -14.9134 -5.1507 -5.1507 -4.9976 -4.9976 -4.3010 -4.3010 -3.6333 -3.6333 -3.3867 -3.3867 3.5956 3.5956 4.0135 4.0135 4.5154 4.5154 4.5361 4.5361 5.4780 5.4780 5.6497 5.6497 9.0563 9.0563 10.2225 10.2225 10.3287 10.3287 10.6953 10.6953 k = 0.2500-0.4430-0.2675 ( 3112 PWs) bands (ev): -35.3893 -35.3893 -19.8287 -19.8287 -16.3844 -16.3844 -14.9871 -14.9871 -14.9159 -14.9159 -5.1423 -5.1423 -4.9850 -4.9850 -4.3065 -4.3065 -3.6418 -3.6418 -3.3979 -3.3979 3.6103 3.6103 3.9952 3.9952 4.4825 4.4825 4.5279 4.5279 5.4514 5.4514 5.6289 5.6289 9.0297 9.0297 10.2820 10.2820 10.3817 10.3817 10.7006 10.7006 k = 0.2609-0.4623-0.2792 ( 3106 PWs) bands (ev): -35.3889 -35.3889 -19.8269 -19.8269 -16.3862 -16.3862 -14.9894 -14.9894 -14.9182 -14.9182 -5.1359 -5.1359 -4.9705 -4.9705 -4.3116 -4.3116 -3.6501 -3.6501 -3.4092 -3.4092 3.6190 3.6190 3.9772 3.9772 4.4409 4.4409 4.5375 4.5375 5.4256 5.4256 5.6059 5.6059 9.0038 9.0038 10.3418 10.3418 10.4338 10.4338 10.7016 10.7016 k = 0.2717-0.4815-0.2908 ( 3105 PWs) bands (ev): -35.3886 -35.3886 -19.8252 -19.8252 -16.3880 -16.3880 -14.9920 -14.9920 -14.9203 -14.9203 -5.1317 -5.1317 -4.9541 -4.9541 -4.3166 -4.3166 -3.6583 -3.6583 -3.4203 -3.4203 3.6210 3.6210 3.9595 3.9595 4.4092 4.4092 4.5469 4.5469 5.4006 5.4006 5.5807 5.5807 8.9785 8.9785 10.4015 10.4015 10.4850 10.4850 10.6989 10.6989 k = 0.2826-0.5008-0.3024 ( 3099 PWs) bands (ev): -35.3882 -35.3882 -19.8235 -19.8235 -16.3898 -16.3898 -14.9946 -14.9946 -14.9222 -14.9222 -5.1295 -5.1295 -4.9358 -4.9358 -4.3213 -4.3213 -3.6663 -3.6663 -3.4314 -3.4314 3.6157 3.6157 3.9425 3.9425 4.3881 4.3881 4.5559 4.5559 5.3767 5.3767 5.5534 5.5534 8.9541 8.9541 10.4603 10.4603 10.5352 10.5352 10.6930 10.6930 k = 0.2935-0.5200-0.3141 ( 3091 PWs) bands (ev): -35.3878 -35.3878 -19.8218 -19.8218 -16.3916 -16.3916 -14.9973 -14.9973 -14.9239 -14.9239 -5.1291 -5.1291 -4.9159 -4.9159 -4.3259 -4.3259 -3.6742 -3.6742 -3.4423 -3.4423 3.6031 3.6031 3.9266 3.9266 4.3770 4.3770 4.5643 4.5643 5.3539 5.3539 5.5242 5.5242 8.9306 8.9306 10.5174 10.5174 10.5841 10.5841 10.6849 10.6849 k = 0.3043-0.5393-0.3257 ( 3092 PWs) bands (ev): -35.3875 -35.3875 -19.8201 -19.8201 -16.3934 -16.3934 -15.0002 -15.0002 -14.9254 -14.9254 -5.1303 -5.1303 -4.8947 -4.8947 -4.3303 -4.3303 -3.6818 -3.6818 -3.4530 -3.4530 3.5838 3.5838 3.9124 3.9124 4.3750 4.3750 4.5723 4.5723 5.3321 5.3321 5.4931 5.4931 8.9081 8.9081 10.5711 10.5711 10.6305 10.6305 10.6770 10.6770 k = 0.3152-0.5586-0.3373 ( 3102 PWs) bands (ev): -35.3872 -35.3872 -19.8185 -19.8185 -16.3951 -16.3951 -15.0031 -15.0031 -14.9267 -14.9267 -5.1328 -5.1328 -4.8724 -4.8724 -4.3347 -4.3347 -3.6893 -3.6893 -3.4636 -3.4636 3.5588 3.5588 3.9003 3.9003 4.3806 4.3806 4.5796 4.5796 5.3115 5.3115 5.4604 5.4604 8.8867 8.8867 10.6152 10.6152 10.6612 10.6612 10.6884 10.6884 k = 0.3261-0.5778-0.3490 ( 3106 PWs) bands (ev): -35.3869 -35.3869 -19.8169 -19.8169 -16.3968 -16.3968 -15.0060 -15.0060 -14.9279 -14.9279 -5.1363 -5.1363 -4.8491 -4.8491 -4.3391 -4.3391 -3.6966 -3.6966 -3.4740 -3.4740 3.5297 3.5297 3.8903 3.8903 4.3922 4.3922 4.5863 4.5863 5.2920 5.2920 5.4263 5.4263 8.8665 8.8665 10.6261 10.6261 10.6880 10.6880 10.7298 10.7298 k = 0.3370-0.5971-0.3606 ( 3108 PWs) bands (ev): -35.3866 -35.3866 -19.8154 -19.8154 -16.3985 -16.3985 -15.0089 -15.0089 -14.9288 -14.9288 -5.1407 -5.1407 -4.8253 -4.8253 -4.3436 -4.3436 -3.7037 -3.7037 -3.4840 -3.4840 3.4980 3.4980 3.8825 3.8825 4.4083 4.4083 4.5923 4.5923 5.2735 5.2735 5.3913 5.3913 8.8475 8.8475 10.6147 10.6147 10.7280 10.7280 10.7734 10.7734 k = 0.3478-0.6164-0.3722 ( 3110 PWs) bands (ev): -35.3863 -35.3863 -19.8139 -19.8139 -16.4001 -16.4001 -15.0117 -15.0117 -14.9297 -14.9297 -5.1456 -5.1456 -4.8010 -4.8010 -4.3482 -4.3482 -3.7107 -3.7107 -3.4938 -3.4938 3.4648 3.4648 3.8766 3.8766 4.4278 4.4278 4.5976 4.5976 5.2556 5.2556 5.3557 5.3557 8.8297 8.8297 10.5987 10.5987 10.7663 10.7663 10.8158 10.8158 k = 0.3587-0.6356-0.3839 ( 3108 PWs) bands (ev): -35.3860 -35.3860 -19.8125 -19.8125 -16.4016 -16.4016 -15.0145 -15.0145 -14.9304 -14.9304 -5.1509 -5.1509 -4.7764 -4.7764 -4.3530 -4.3530 -3.7174 -3.7174 -3.5033 -3.5033 3.4314 3.4314 3.8725 3.8725 4.4496 4.4496 4.6023 4.6023 5.2378 5.2378 5.3206 5.3206 8.8131 8.8131 10.5813 10.5813 10.8002 10.8002 10.8568 10.8568 k = 0.3696-0.6549-0.3955 ( 3109 PWs) bands (ev): -35.3857 -35.3857 -19.8112 -19.8112 -16.4030 -16.4030 -15.0172 -15.0172 -14.9310 -14.9310 -5.1565 -5.1565 -4.7517 -4.7517 -4.3581 -4.3581 -3.7239 -3.7239 -3.5123 -3.5123 3.3985 3.3985 3.8699 3.8699 4.4729 4.4729 4.6065 4.6065 5.2186 5.2186 5.2875 5.2875 8.7978 8.7978 10.5635 10.5635 10.8295 10.8295 10.8962 10.8962 k = 0.3804-0.6741-0.4071 ( 3111 PWs) bands (ev): -35.3854 -35.3854 -19.8099 -19.8099 -16.4044 -16.4044 -15.0197 -15.0197 -14.9316 -14.9316 -5.1621 -5.1621 -4.7271 -4.7271 -4.3635 -4.3635 -3.7302 -3.7302 -3.5209 -3.5209 3.3670 3.3670 3.8688 3.8688 4.4972 4.4972 4.6100 4.6100 5.1958 5.1958 5.2590 5.2590 8.7838 8.7838 10.5457 10.5457 10.8547 10.8547 10.9341 10.9341 k = 0.3913-0.6934-0.4188 ( 3109 PWs) bands (ev): -35.3852 -35.3852 -19.8088 -19.8088 -16.4057 -16.4057 -15.0221 -15.0221 -14.9320 -14.9320 -5.1677 -5.1677 -4.7027 -4.7027 -4.3694 -4.3694 -3.7363 -3.7363 -3.5290 -3.5290 3.3372 3.3372 3.8689 3.8689 4.5220 4.5220 4.6132 4.6132 5.1674 5.1674 5.2373 5.2373 8.7710 8.7710 10.5283 10.5283 10.8765 10.8765 10.9703 10.9703 k = 0.4022-0.7127-0.4304 ( 3112 PWs) bands (ev): -35.3850 -35.3850 -19.8077 -19.8077 -16.4068 -16.4068 -15.0244 -15.0244 -14.9324 -14.9324 -5.1732 -5.1732 -4.6788 -4.6788 -4.3757 -4.3757 -3.7420 -3.7420 -3.5365 -3.5365 3.3096 3.3096 3.8700 3.8700 4.5467 4.5467 4.6161 4.6161 5.1344 5.1344 5.2217 5.2217 8.7594 8.7594 10.5116 10.5116 10.8957 10.8957 11.0044 11.0044 k = 0.4130-0.7319-0.4420 ( 3118 PWs) bands (ev): -35.3848 -35.3848 -19.8068 -19.8068 -16.4079 -16.4079 -15.0264 -15.0264 -14.9327 -14.9327 -5.1783 -5.1783 -4.6554 -4.6554 -4.3826 -4.3826 -3.7474 -3.7474 -3.5434 -3.5434 3.2844 3.2844 3.8719 3.8719 4.5708 4.5708 4.6192 4.6192 5.0990 5.0990 5.2102 5.2102 8.7491 8.7491 10.4960 10.4960 10.9131 10.9131 11.0363 11.0363 k = 0.4239-0.7512-0.4537 ( 3110 PWs) bands (ev): -35.3846 -35.3846 -19.8059 -19.8059 -16.4089 -16.4089 -15.0283 -15.0283 -14.9330 -14.9330 -5.1831 -5.1831 -4.6328 -4.6328 -4.3900 -4.3900 -3.7524 -3.7524 -3.5496 -3.5496 3.2619 3.2619 3.8744 3.8744 4.5925 4.5925 4.6243 4.6243 5.0630 5.0630 5.2012 5.2012 8.7400 8.7400 10.4817 10.4817 10.9291 10.9291 11.0656 11.0656 k = 0.4348-0.7704-0.4653 ( 3107 PWs) bands (ev): -35.3844 -35.3844 -19.8051 -19.8051 -16.4097 -16.4097 -15.0299 -15.0299 -14.9332 -14.9332 -5.1874 -5.1874 -4.6112 -4.6112 -4.3980 -4.3980 -3.7570 -3.7570 -3.5552 -3.5552 3.2421 3.2421 3.8772 3.8772 4.6069 4.6069 4.6361 4.6361 5.0273 5.0273 5.1941 5.1941 8.7321 8.7321 10.4688 10.4688 10.9438 10.9438 11.0918 11.0918 k = 0.4457-0.7897-0.4769 ( 3109 PWs) bands (ev): -35.3843 -35.3843 -19.8045 -19.8045 -16.4104 -16.4104 -15.0313 -15.0313 -14.9333 -14.9333 -5.1911 -5.1911 -4.5908 -4.5908 -4.4064 -4.4064 -3.7610 -3.7610 -3.5599 -3.5599 3.2252 3.2252 3.8801 3.8801 4.6127 4.6127 4.6559 4.6559 4.9927 4.9927 5.1885 5.1885 8.7254 8.7254 10.4576 10.4576 10.9571 10.9571 11.1148 11.1148 k = 0.4565-0.8090-0.4886 ( 3109 PWs) bands (ev): -35.3842 -35.3842 -19.8040 -19.8040 -16.4110 -16.4110 -15.0324 -15.0324 -14.9335 -14.9335 -5.1943 -5.1943 -4.5720 -4.5720 -4.4152 -4.4152 -3.7644 -3.7644 -3.5638 -3.5638 3.2113 3.2113 3.8829 3.8829 4.6150 4.6150 4.6784 4.6784 4.9599 4.9599 5.1841 5.1841 8.7199 8.7199 10.4482 10.4482 10.9688 10.9688 11.1342 11.1342 k = 0.4674-0.8282-0.5002 ( 3108 PWs) bands (ev): -35.3841 -35.3841 -19.8036 -19.8036 -16.4115 -16.4115 -15.0333 -15.0333 -14.9336 -14.9336 -5.1968 -5.1968 -4.5552 -4.5552 -4.4240 -4.4240 -3.7671 -3.7671 -3.5669 -3.5669 3.2005 3.2005 3.8853 3.8853 4.6161 4.6161 4.7008 4.7008 4.9298 4.9298 5.1809 5.1809 8.7157 8.7157 10.4407 10.4407 10.9785 10.9785 11.1496 11.1496 k = 0.4783-0.8475-0.5118 ( 3116 PWs) bands (ev): -35.3841 -35.3841 -19.8033 -19.8033 -16.4118 -16.4118 -15.0340 -15.0340 -14.9336 -14.9336 -5.1986 -5.1986 -4.5414 -4.5414 -4.4320 -4.4320 -3.7692 -3.7692 -3.5692 -3.5692 3.1927 3.1927 3.8871 3.8871 4.6167 4.6167 4.7212 4.7212 4.9038 4.9038 5.1786 5.1786 8.7126 8.7126 10.4354 10.4354 10.9858 10.9858 11.1608 11.1608 k = 0.4891-0.8667-0.5234 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0344 -15.0344 -14.9337 -14.9337 -5.1997 -5.1997 -4.5319 -4.5319 -4.4380 -4.4380 -3.7704 -3.7704 -3.5705 -3.5705 3.1880 3.1880 3.8883 3.8883 4.6170 4.6170 4.7367 4.7367 4.8849 4.8849 5.1772 5.1772 8.7108 8.7108 10.4321 10.4321 10.9903 10.9903 11.1676 11.1676 k = 0.5000-0.8860-0.5351 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.2001 -5.2001 -4.5284 -4.5284 -4.4403 -4.4403 -3.7708 -3.7708 -3.5710 -3.5710 3.1865 3.1865 3.8887 3.8887 4.6171 4.6171 4.7429 4.7429 4.8776 4.8776 5.1768 5.1768 8.7102 8.7102 10.4310 10.4310 10.9918 10.9918 11.1699 11.1699 k = 0.5000-0.8860-0.5351 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.2001 -5.2001 -4.5284 -4.5284 -4.4403 -4.4403 -3.7708 -3.7708 -3.5710 -3.5710 3.1865 3.1865 3.8887 3.8887 4.6171 4.6171 4.7429 4.7429 4.8776 4.8776 5.1768 5.1768 8.7102 8.7102 10.4310 10.4310 10.9918 10.9918 11.1699 11.1699 k = 0.5000-0.8732-0.5563 ( 3120 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9338 -14.9338 -5.1995 -5.1995 -4.5298 -4.5298 -4.4394 -4.4394 -3.7707 -3.7707 -3.5711 -3.5711 3.1875 3.1875 3.8884 3.8884 4.6150 4.6150 4.7428 4.7428 4.8800 4.8800 5.1734 5.1734 8.7142 8.7142 10.4340 10.4340 10.9893 10.9893 11.1663 11.1663 k = 0.5000-0.8604-0.5775 ( 3124 PWs) bands (ev): -35.3840 -35.3840 -19.8029 -19.8029 -16.4122 -16.4122 -15.0343 -15.0343 -14.9342 -14.9342 -5.1979 -5.1979 -4.5340 -4.5340 -4.4366 -4.4366 -3.7706 -3.7706 -3.5717 -3.5717 3.1906 3.1906 3.8876 3.8876 4.6092 4.6092 4.7427 4.7427 4.8868 4.8868 5.1632 5.1632 8.7262 8.7262 10.4428 10.4428 10.9819 10.9819 11.1560 11.1560 k = 0.5000-0.8476-0.5986 ( 3124 PWs) bands (ev): -35.3840 -35.3840 -19.8028 -19.8028 -16.4122 -16.4122 -15.0340 -15.0340 -14.9349 -14.9349 -5.1952 -5.1952 -4.5405 -4.5405 -4.4324 -4.4324 -3.7704 -3.7704 -3.5725 -3.5725 3.1958 3.1958 3.8861 3.8861 4.6004 4.6004 4.7425 4.7425 4.8972 4.8972 5.1467 5.1467 8.7458 8.7458 10.4574 10.4574 10.9696 10.9696 11.1396 11.1396 k = 0.5000-0.8348-0.6198 ( 3124 PWs) bands (ev): -35.3840 -35.3840 -19.8027 -19.8027 -16.4123 -16.4123 -15.0335 -15.0335 -14.9358 -14.9358 -5.1915 -5.1915 -4.5487 -4.5487 -4.4274 -4.4274 -3.7700 -3.7700 -3.5738 -3.5738 3.2031 3.2031 3.8840 3.8840 4.5895 4.5895 4.7422 4.7422 4.9098 4.9098 5.1244 5.1244 8.7728 8.7728 10.4776 10.4776 10.9526 10.9526 11.1185 11.1185 k = 0.5000-0.8220-0.6410 ( 3132 PWs) bands (ev): -35.3840 -35.3840 -19.8025 -19.8025 -16.4124 -16.4124 -15.0330 -15.0330 -14.9369 -14.9369 -5.1867 -5.1867 -4.5584 -4.5584 -4.4217 -4.4217 -3.7696 -3.7696 -3.5753 -3.5753 3.2124 3.2124 3.8813 3.8813 4.5778 4.5778 4.7415 4.7415 4.9234 4.9234 5.0973 5.0973 8.8065 8.8065 10.5032 10.5032 10.9312 10.9312 11.0940 11.0940 k = 0.5000-0.8092-0.6622 ( 3122 PWs) bands (ev): -35.3839 -35.3839 -19.8023 -19.8023 -16.4125 -16.4125 -15.0323 -15.0323 -14.9382 -14.9382 -5.1809 -5.1809 -4.5693 -4.5693 -4.4158 -4.4158 -3.7691 -3.7691 -3.5772 -3.5772 3.2237 3.2237 3.8780 3.8780 4.5658 4.5658 4.7402 4.7402 4.9363 4.9363 5.0670 5.0670 8.8463 8.8463 10.5338 10.5338 10.9059 10.9059 11.0677 11.0677 k = 0.5000-0.7964-0.6834 ( 3116 PWs) bands (ev): -35.3838 -35.3838 -19.8021 -19.8021 -16.4127 -16.4127 -15.0316 -15.0316 -14.9398 -14.9398 -5.1742 -5.1742 -4.5810 -4.5810 -4.4098 -4.4098 -3.7684 -3.7684 -3.5794 -3.5794 3.2369 3.2369 3.8740 3.8740 4.5545 4.5545 4.7378 4.7378 4.9455 4.9455 5.0368 5.0368 8.8915 8.8915 10.5687 10.5687 10.8768 10.8768 11.0412 11.0412 k = 0.5000-0.7836-0.7046 ( 3114 PWs) bands (ev): -35.3838 -35.3838 -19.8018 -19.8018 -16.4129 -16.4129 -15.0307 -15.0307 -14.9416 -14.9416 -5.1665 -5.1665 -4.5935 -4.5935 -4.4038 -4.4038 -3.7677 -3.7677 -3.5820 -3.5820 3.2520 3.2520 3.8695 3.8695 4.5442 4.5442 4.7333 4.7333 4.9434 4.9434 5.0152 5.0152 8.9413 8.9413 10.6071 10.6071 10.8446 10.8446 11.0161 11.0161 k = 0.5000-0.7709-0.7258 ( 3114 PWs) bands (ev): -35.3837 -35.3837 -19.8015 -19.8015 -16.4131 -16.4131 -15.0297 -15.0297 -14.9436 -14.9436 -5.1579 -5.1579 -4.6066 -4.6066 -4.3978 -4.3978 -3.7670 -3.7670 -3.5849 -3.5849 3.2690 3.2690 3.8643 3.8643 4.5354 4.5354 4.7253 4.7253 4.9229 4.9229 5.0110 5.0110 8.9949 8.9949 10.6472 10.6472 10.8098 10.8098 10.9947 10.9947 k = 0.5000-0.7581-0.7469 ( 3112 PWs) bands (ev): -35.3836 -35.3836 -19.8012 -19.8012 -16.4133 -16.4133 -15.0286 -15.0286 -14.9457 -14.9457 -5.1486 -5.1486 -4.6203 -4.6203 -4.3920 -4.3920 -3.7661 -3.7661 -3.5880 -3.5880 3.2878 3.2878 3.8586 3.8586 4.5283 4.5283 4.7115 4.7115 4.8940 4.8940 5.0168 5.0168 9.0516 9.0516 10.6858 10.6858 10.7732 10.7732 10.9801 10.9801 k = 0.5000-0.7453-0.7681 ( 3112 PWs) bands (ev): -35.3836 -35.3836 -19.8008 -19.8008 -16.4135 -16.4135 -15.0275 -15.0275 -14.9480 -14.9480 -5.1384 -5.1384 -4.6343 -4.6343 -4.3864 -4.3864 -3.7651 -3.7651 -3.5915 -3.5915 3.3082 3.3082 3.8525 3.8525 4.5232 4.5232 4.6890 4.6890 4.8673 4.8673 5.0248 5.0248 9.1105 9.1105 10.7127 10.7127 10.7407 10.7407 10.9772 10.9772 k = 0.5000-0.7325-0.7893 ( 3110 PWs) bands (ev): -35.3835 -35.3835 -19.8005 -19.8005 -16.4137 -16.4137 -15.0262 -15.0262 -14.9504 -14.9504 -5.1276 -5.1276 -4.6487 -4.6487 -4.3810 -4.3810 -3.7641 -3.7641 -3.5952 -3.5952 3.3303 3.3303 3.8460 3.8460 4.5202 4.5202 4.6565 4.6565 4.8476 4.8476 5.0322 5.0322 9.1709 9.1709 10.6880 10.6880 10.7472 10.7472 10.9917 10.9917 k = 0.5000-0.7197-0.8105 ( 3106 PWs) bands (ev): -35.3834 -35.3834 -19.8001 -19.8001 -16.4140 -16.4140 -15.0249 -15.0249 -14.9530 -14.9530 -5.1162 -5.1162 -4.6632 -4.6632 -4.3758 -4.3758 -3.7630 -3.7630 -3.5992 -3.5992 3.3540 3.3540 3.8392 3.8392 4.5193 4.5193 4.6151 4.6151 4.8349 4.8349 5.0381 5.0381 9.2319 9.2319 10.6479 10.6479 10.7538 10.7538 11.0261 11.0261 k = 0.5000-0.7069-0.8317 ( 3102 PWs) bands (ev): -35.3833 -35.3833 -19.7997 -19.7997 -16.4142 -16.4142 -15.0235 -15.0235 -14.9556 -14.9556 -5.1044 -5.1044 -4.6779 -4.6779 -4.3708 -4.3708 -3.7618 -3.7618 -3.6034 -3.6034 3.3790 3.3790 3.8323 3.8323 4.5197 4.5197 4.5682 4.5682 4.8274 4.8274 5.0421 5.0421 9.2928 9.2928 10.6067 10.6067 10.7499 10.7499 11.0771 11.0771 k = 0.5000-0.6941-0.8529 ( 3102 PWs) bands (ev): -35.3832 -35.3832 -19.7994 -19.7994 -16.4145 -16.4145 -15.0220 -15.0220 -14.9582 -14.9582 -5.0921 -5.0921 -4.6925 -4.6925 -4.3662 -4.3662 -3.7605 -3.7605 -3.6078 -3.6078 3.4054 3.4054 3.8254 3.8254 4.5077 4.5077 4.5322 4.5322 4.8231 4.8231 5.0438 5.0438 9.3528 9.3528 10.5658 10.5658 10.7394 10.7394 11.1393 11.1393 k = 0.5000-0.6813-0.8741 ( 3104 PWs) bands (ev): -35.3832 -35.3832 -19.7990 -19.7990 -16.4148 -16.4148 -15.0205 -15.0205 -14.9609 -14.9609 -5.0796 -5.0796 -4.7070 -4.7070 -4.3618 -4.3618 -3.7592 -3.7592 -3.6123 -3.6123 3.4330 3.4330 3.8186 3.8186 4.4584 4.4584 4.5338 4.5338 4.8206 4.8206 5.0432 5.0432 9.4110 9.4110 10.5261 10.5261 10.7249 10.7249 11.2086 11.2086 k = 0.5000-0.6685-0.8953 ( 3104 PWs) bands (ev): -35.3831 -35.3831 -19.7986 -19.7986 -16.4150 -16.4150 -15.0190 -15.0190 -14.9636 -14.9636 -5.0669 -5.0669 -4.7213 -4.7213 -4.3578 -4.3578 -3.7578 -3.7578 -3.6169 -3.6169 3.4615 3.4615 3.8120 3.8120 4.4045 4.4045 4.5415 4.5415 4.8191 4.8191 5.0402 5.0402 9.4665 9.4665 10.4886 10.4886 10.7081 10.7081 11.2826 11.2826 k = 0.5000-0.6557-0.9164 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -19.7983 -19.7983 -16.4153 -16.4153 -15.0175 -15.0175 -14.9662 -14.9662 -5.0544 -5.0544 -4.7350 -4.7350 -4.3541 -4.3541 -3.7563 -3.7563 -3.6216 -3.6216 3.4910 3.4910 3.8058 3.8058 4.3505 4.3505 4.5517 4.5517 4.8179 4.8179 5.0349 5.0349 9.5184 9.5184 10.4543 10.4543 10.6893 10.6893 11.3593 11.3593 k = 0.5000-0.6429-0.9376 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -19.7980 -19.7980 -16.4155 -16.4155 -15.0160 -15.0160 -14.9687 -14.9687 -5.0421 -5.0421 -4.7482 -4.7482 -4.3509 -4.3509 -3.7549 -3.7549 -3.6262 -3.6262 3.5210 3.5210 3.8000 3.8000 4.2973 4.2973 4.5641 4.5641 4.8169 4.8169 5.0274 5.0274 9.5653 9.5653 10.4245 10.4245 10.6685 10.6685 11.4376 11.4376 k = 0.5000-0.6301-0.9588 ( 3102 PWs) bands (ev): -35.3829 -35.3829 -19.7976 -19.7976 -16.4158 -16.4158 -15.0146 -15.0146 -14.9711 -14.9711 -5.0303 -5.0303 -4.7604 -4.7604 -4.3480 -4.3480 -3.7535 -3.7535 -3.6307 -3.6307 3.5513 3.5513 3.7949 3.7949 4.2456 4.2456 4.5785 4.5785 4.8157 4.8157 5.0178 5.0178 9.6062 9.6062 10.4005 10.4005 10.6456 10.6456 11.5160 11.5160 k = 0.5000-0.6173-0.9800 ( 3106 PWs) bands (ev): -35.3828 -35.3828 -19.7974 -19.7974 -16.4160 -16.4160 -15.0132 -15.0132 -14.9733 -14.9733 -5.0194 -5.0194 -4.7716 -4.7716 -4.3455 -4.3455 -3.7522 -3.7522 -3.6350 -3.6350 3.5816 3.5816 3.7903 3.7903 4.1963 4.1963 4.5948 4.5948 4.8141 4.8141 5.0062 5.0062 9.6395 9.6395 10.3839 10.3839 10.6204 10.6204 11.5933 11.5933 k = 0.5000-0.6045-1.0012 ( 3104 PWs) bands (ev): -35.3828 -35.3828 -19.7971 -19.7971 -16.4162 -16.4162 -15.0120 -15.0120 -14.9753 -14.9753 -5.0095 -5.0095 -4.7813 -4.7813 -4.3435 -4.3435 -3.7510 -3.7510 -3.6389 -3.6389 3.6114 3.6114 3.7864 3.7864 4.1499 4.1499 4.6129 4.6129 4.8120 4.8120 4.9929 4.9929 9.6642 9.6642 10.3758 10.3758 10.5927 10.5927 11.6679 11.6679 k = 0.5000-0.5917-1.0224 ( 3104 PWs) bands (ev): -35.3827 -35.3827 -19.7969 -19.7969 -16.4164 -16.4164 -15.0109 -15.0109 -14.9770 -14.9770 -5.0011 -5.0011 -4.7894 -4.7894 -4.3419 -4.3419 -3.7500 -3.7500 -3.6422 -3.6422 3.6399 3.6399 3.7833 3.7833 4.1074 4.1074 4.6327 4.6327 4.8093 4.8093 4.9782 4.9782 9.6794 9.6794 10.3772 10.3772 10.5627 10.5627 11.7379 11.7379 k = 0.5000-0.5789-1.0436 ( 3102 PWs) bands (ev): -35.3827 -35.3827 -19.7968 -19.7968 -16.4165 -16.4165 -15.0101 -15.0101 -14.9783 -14.9783 -4.9945 -4.9945 -4.7955 -4.7955 -4.3408 -4.3408 -3.7493 -3.7493 -3.6450 -3.6450 3.6661 3.6661 3.7808 3.7808 4.0700 4.0700 4.6541 4.6541 4.8058 4.8058 4.9623 4.9623 9.6851 9.6851 10.3879 10.3879 10.5308 10.5308 11.8012 11.8012 k = 0.5000-0.5661-1.0647 ( 3100 PWs) bands (ev): -35.3827 -35.3827 -19.7966 -19.7966 -16.4166 -16.4166 -15.0095 -15.0095 -14.9793 -14.9793 -4.9899 -4.9899 -4.7995 -4.7995 -4.3402 -4.3402 -3.7489 -3.7489 -3.6469 -3.6469 3.6885 3.6885 3.7791 3.7791 4.0391 4.0391 4.6769 4.6769 4.8016 4.8016 4.9455 4.9455 9.6822 9.6822 10.4058 10.4058 10.4985 10.4985 11.8568 11.8568 k = 0.5000-0.5533-1.0859 ( 3094 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0092 -15.0092 -14.9797 -14.9797 -4.9875 -4.9875 -4.8013 -4.8013 -4.3401 -4.3401 -3.7489 -3.7489 -3.6480 -3.6480 3.7052 3.7052 3.7779 3.7779 4.0168 4.0168 4.7010 4.7010 4.7966 4.7966 4.9284 4.9284 9.6720 9.6720 10.4201 10.4201 10.4754 10.4754 11.9068 11.9068 k = 0.5000-0.5405-1.1071 ( 3090 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0092 -15.0092 -14.9797 -14.9797 -4.9871 -4.9871 -4.8011 -4.8011 -4.3404 -4.3404 -3.7493 -3.7493 -3.6480 -3.6480 3.7141 3.7141 3.7772 3.7772 4.0052 4.0052 4.7261 4.7261 4.7908 4.7908 4.9113 4.9113 9.6561 9.6561 10.4013 10.4013 10.4901 10.4901 11.9529 11.9529 k = 0.5000-0.5277-1.1283 ( 3096 PWs) bands (ev): -35.3827 -35.3827 -19.7966 -19.7966 -16.4166 -16.4166 -15.0094 -15.0094 -14.9793 -14.9793 -4.9885 -4.9885 -4.7992 -4.7992 -4.3411 -4.3411 -3.7501 -3.7501 -3.6470 -3.6470 3.7144 3.7144 3.7770 3.7770 4.0053 4.0053 4.7514 4.7514 4.7847 4.7847 4.8949 4.8949 9.6362 9.6362 10.3636 10.3636 10.5268 10.5268 11.9946 11.9946 k = 0.5000-0.5150-1.1495 ( 3096 PWs) bands (ev): -35.3827 -35.3827 -19.7968 -19.7968 -16.4165 -16.4165 -15.0099 -15.0099 -14.9785 -14.9785 -4.9913 -4.9913 -4.7963 -4.7963 -4.3422 -4.3422 -3.7511 -3.7511 -3.6450 -3.6450 3.7070 3.7070 3.7771 3.7771 4.0160 4.0160 4.7697 4.7697 4.7842 4.7842 4.8806 4.8806 9.6137 9.6137 10.3212 10.3212 10.5705 10.5705 12.0301 12.0301 k = 0.8176-0.4315-0.9908 ( 3096 PWs) bands (ev): -35.3827 -35.3827 -19.7968 -19.7968 -16.4165 -16.4165 -15.0099 -15.0099 -14.9785 -14.9785 -4.9913 -4.9913 -4.7963 -4.7963 -4.3422 -4.3422 -3.7511 -3.7511 -3.6450 -3.6450 3.7070 3.7070 3.7771 3.7771 4.0160 4.0160 4.7697 4.7697 4.7842 4.7842 4.8806 4.8806 9.6137 9.6137 10.3212 10.3212 10.5705 10.5705 12.0301 12.0301 k = 0.8113-0.4203-0.9694 ( 3092 PWs) bands (ev): -35.3827 -35.3827 -19.7970 -19.7970 -16.4163 -16.4163 -15.0104 -15.0104 -14.9774 -14.9774 -4.9952 -4.9952 -4.7927 -4.7927 -4.3436 -4.3436 -3.7523 -3.7523 -3.6419 -3.6419 3.6939 3.6939 3.7775 3.7775 4.0350 4.0350 4.7650 4.7650 4.8027 4.8027 4.8715 4.8715 9.5893 9.5893 10.2760 10.2760 10.6182 10.6182 12.0581 12.0581 k = 0.8049-0.4090-0.9480 ( 3100 PWs) bands (ev): -35.3828 -35.3828 -19.7972 -19.7972 -16.4160 -16.4160 -15.0110 -15.0110 -14.9760 -14.9760 -4.9996 -4.9996 -4.7891 -4.7891 -4.3453 -4.3453 -3.7536 -3.7536 -3.6379 -3.6379 3.6780 3.6780 3.7781 3.7781 4.0598 4.0598 4.7558 4.7558 4.8135 4.8135 4.8762 4.8762 9.5643 9.5643 10.2292 10.2292 10.6681 10.6681 12.0773 12.0773 k = 0.7986-0.3977-0.9266 ( 3100 PWs) bands (ev): -35.3829 -35.3829 -19.7976 -19.7976 -16.4157 -16.4157 -15.0116 -15.0116 -14.9744 -14.9744 -5.0043 -5.0043 -4.7860 -4.7860 -4.3471 -4.3471 -3.7546 -3.7546 -3.6331 -3.6331 3.6612 3.6612 3.7786 3.7786 4.0881 4.0881 4.7453 4.7453 4.8107 4.8107 4.8974 4.8974 9.5393 9.5393 10.1813 10.1813 10.7191 10.7191 12.0875 12.0875 k = 0.7922-0.3865-0.9052 ( 3102 PWs) bands (ev): -35.3830 -35.3830 -19.7980 -19.7980 -16.4153 -16.4153 -15.0121 -15.0121 -14.9727 -14.9727 -5.0090 -5.0090 -4.7838 -4.7838 -4.3488 -4.3488 -3.7554 -3.7554 -3.6275 -3.6275 3.6449 3.6449 3.7789 3.7789 4.1187 4.1187 4.7340 4.7340 4.8028 4.8028 4.9268 4.9268 9.5149 9.5149 10.1325 10.1325 10.7703 10.7703 12.0888 12.0888 k = 0.7859-0.3752-0.8838 ( 3104 PWs) bands (ev): -35.3831 -35.3831 -19.7985 -19.7985 -16.4148 -16.4148 -15.0126 -15.0126 -14.9709 -14.9709 -5.0134 -5.0134 -4.7829 -4.7829 -4.3505 -4.3505 -3.7558 -3.7558 -3.6213 -3.6213 3.6299 3.6299 3.7789 3.7789 4.1504 4.1504 4.7219 4.7219 4.7948 4.7948 4.9595 4.9595 9.4916 9.4916 10.0832 10.0832 10.8208 10.8208 12.0815 12.0815 k = 0.7795-0.3640-0.8624 ( 3108 PWs) bands (ev): -35.3832 -35.3832 -19.7991 -19.7991 -16.4143 -16.4143 -15.0128 -15.0128 -14.9690 -14.9690 -5.0175 -5.0175 -4.7836 -4.7836 -4.3518 -4.3518 -3.7557 -3.7557 -3.6146 -3.6146 3.6168 3.6168 3.7783 3.7783 4.1827 4.1827 4.7092 4.7092 4.7884 4.7884 4.9939 4.9939 9.4695 9.4695 10.0336 10.0336 10.8697 10.8697 12.0659 12.0659 k = 0.7732-0.3527-0.8410 ( 3104 PWs) bands (ev): -35.3833 -35.3833 -19.7998 -19.7998 -16.4136 -16.4136 -15.0129 -15.0129 -14.9671 -14.9671 -5.0210 -5.0210 -4.7861 -4.7861 -4.3528 -4.3528 -3.7549 -3.7549 -3.6074 -3.6074 3.6058 3.6058 3.7772 3.7772 4.2152 4.2152 4.6959 4.6959 4.7843 4.7843 5.0295 5.0295 9.4490 9.4490 9.9840 9.9840 10.9161 10.9161 12.0426 12.0426 k = 0.7668-0.3415-0.8196 ( 3104 PWs) bands (ev): -35.3835 -35.3835 -19.8006 -19.8006 -16.4129 -16.4129 -15.0129 -15.0129 -14.9651 -14.9651 -5.0240 -5.0240 -4.7906 -4.7906 -4.3533 -4.3533 -3.7536 -3.7536 -3.5998 -3.5998 3.5971 3.5971 3.7753 3.7753 4.2475 4.2475 4.6822 4.6822 4.7831 4.7831 5.0660 5.0660 9.4304 9.4304 9.9344 9.9344 10.9593 10.9593 12.0120 12.0120 k = 0.7605-0.3302-0.7982 ( 3104 PWs) bands (ev): -35.3837 -35.3837 -19.8014 -19.8014 -16.4120 -16.4120 -15.0126 -15.0126 -14.9630 -14.9630 -5.0263 -5.0263 -4.7972 -4.7972 -4.3532 -4.3532 -3.7515 -3.7515 -3.5919 -3.5919 3.5908 3.5908 3.7728 3.7728 4.2793 4.2793 4.6682 4.6682 4.7849 4.7849 5.1030 5.1030 9.4137 9.4137 9.8853 9.8853 10.9982 10.9982 11.9743 11.9743 k = 0.7541-0.3189-0.7768 ( 3108 PWs) bands (ev): -35.3839 -35.3839 -19.8024 -19.8024 -16.4111 -16.4111 -15.0122 -15.0122 -14.9610 -14.9610 -5.0280 -5.0280 -4.8058 -4.8058 -4.3525 -4.3525 -3.7487 -3.7487 -3.5837 -3.5837 3.5869 3.5869 3.7695 3.7695 4.3105 4.3105 4.6541 4.6541 4.7899 4.7899 5.1405 5.1405 9.3990 9.3990 9.8368 9.8368 11.0321 11.0321 11.9300 11.9300 k = 0.7478-0.3077-0.7554 ( 3106 PWs) bands (ev): -35.3841 -35.3841 -19.8034 -19.8034 -16.4101 -16.4101 -15.0116 -15.0116 -14.9589 -14.9589 -5.0291 -5.0291 -4.8163 -4.8163 -4.3512 -4.3512 -3.7451 -3.7451 -3.5754 -3.5754 3.5854 3.5854 3.7656 3.7656 4.3409 4.3409 4.6400 4.6400 4.7982 4.7982 5.1781 5.1781 9.3865 9.3865 9.7891 9.7891 11.0603 11.0603 11.8795 11.8795 k = 0.7414-0.2964-0.7340 ( 3108 PWs) bands (ev): -35.3843 -35.3843 -19.8045 -19.8045 -16.4090 -16.4090 -15.0107 -15.0107 -14.9568 -14.9568 -5.0298 -5.0298 -4.8286 -4.8286 -4.3492 -4.3492 -3.7409 -3.7409 -3.5670 -3.5670 3.5861 3.5861 3.7611 3.7611 4.3705 4.3705 4.6262 4.6262 4.8098 4.8098 5.2158 5.2158 9.3763 9.3763 9.7425 9.7425 11.0822 11.0822 11.8231 11.8231 k = 0.7351-0.2852-0.7126 ( 3104 PWs) bands (ev): -35.3845 -35.3845 -19.8057 -19.8057 -16.4078 -16.4078 -15.0097 -15.0097 -14.9547 -14.9547 -5.0303 -5.0303 -4.8423 -4.8423 -4.3467 -4.3467 -3.7360 -3.7360 -3.5584 -3.5584 3.5889 3.5889 3.7562 3.7562 4.3990 4.3990 4.6128 4.6128 4.8247 4.8247 5.2533 5.2533 9.3683 9.3683 9.6971 9.6971 11.0975 11.0975 11.7615 11.7615 k = 0.7287-0.2739-0.6912 ( 3108 PWs) bands (ev): -35.3848 -35.3848 -19.8069 -19.8069 -16.4066 -16.4066 -15.0085 -15.0085 -14.9526 -14.9526 -5.0307 -5.0307 -4.8569 -4.8569 -4.3437 -4.3437 -3.7305 -3.7305 -3.5499 -3.5499 3.5936 3.5936 3.7510 3.7510 4.4262 4.4262 4.6001 4.6001 4.8427 4.8427 5.2903 5.2903 9.3626 9.3626 9.6532 9.6532 11.1061 11.1061 11.6951 11.6951 k = 0.7223-0.2627-0.6698 ( 3112 PWs) bands (ev): -35.3851 -35.3851 -19.8083 -19.8083 -16.4052 -16.4052 -15.0072 -15.0072 -14.9504 -14.9504 -5.0318 -5.0318 -4.8718 -4.8718 -4.3403 -4.3403 -3.7243 -3.7243 -3.5414 -3.5414 3.6001 3.6001 3.7458 3.7458 4.4520 4.4520 4.5888 4.5888 4.8637 4.8637 5.3267 5.3267 9.3591 9.3591 9.6110 9.6110 11.1081 11.1081 11.6247 11.6247 k = 0.7160-0.2514-0.6484 ( 3112 PWs) bands (ev): -35.3854 -35.3854 -19.8096 -19.8096 -16.4038 -16.4038 -15.0057 -15.0057 -14.9483 -14.9483 -5.0341 -5.0341 -4.8861 -4.8861 -4.3366 -4.3366 -3.7177 -3.7177 -3.5329 -3.5329 3.6079 3.6079 3.7408 3.7408 4.4756 4.4756 4.5797 4.5797 4.8875 4.8875 5.3622 5.3622 9.3578 9.3578 9.5707 9.5707 11.1037 11.1037 11.5511 11.5511 k = 0.7096-0.2401-0.6270 ( 3112 PWs) bands (ev): -35.3857 -35.3857 -19.8111 -19.8111 -16.4023 -16.4023 -15.0041 -15.0041 -14.9461 -14.9461 -5.0387 -5.0387 -4.8985 -4.8985 -4.3327 -4.3327 -3.7105 -3.7105 -3.5246 -3.5246 3.6168 3.6168 3.7361 3.7361 4.4956 4.4956 4.5746 4.5746 4.9139 4.9139 5.3966 5.3966 9.3586 9.3586 9.5325 9.5325 11.0934 11.0934 11.4748 11.4748 k = 0.7033-0.2289-0.6056 ( 3102 PWs) bands (ev): -35.3860 -35.3860 -19.8126 -19.8126 -16.4007 -16.4007 -15.0023 -15.0023 -14.9438 -14.9438 -5.0468 -5.0468 -4.9078 -4.9078 -4.3285 -4.3285 -3.7029 -3.7029 -3.5165 -3.5165 3.6266 3.6266 3.7321 3.7321 4.5087 4.5087 4.5769 4.5769 4.9426 4.9426 5.4295 5.4295 9.3614 9.3614 9.4967 9.4967 11.0776 11.0776 11.3969 11.3969 k = 0.6969-0.2176-0.5842 ( 3098 PWs) bands (ev): -35.3863 -35.3863 -19.8142 -19.8142 -16.3991 -16.3991 -15.0005 -15.0005 -14.9415 -14.9415 -5.0589 -5.0589 -4.9132 -4.9132 -4.3244 -4.3244 -3.6949 -3.6949 -3.5085 -3.5085 3.6368 3.6368 3.7289 3.7289 4.5132 4.5132 4.5889 4.5889 4.9735 4.9735 5.4606 5.4606 9.3661 9.3661 9.4636 9.4636 11.0568 11.0568 11.3182 11.3182 k = 0.6906-0.2064-0.5628 ( 3100 PWs) bands (ev): -35.3866 -35.3866 -19.8158 -19.8158 -16.3974 -16.3974 -14.9985 -14.9985 -14.9391 -14.9391 -5.0752 -5.0752 -4.9143 -4.9143 -4.3201 -4.3201 -3.6866 -3.6866 -3.5007 -3.5007 3.6470 3.6470 3.7267 3.7267 4.5117 4.5117 4.6081 4.6081 5.0063 5.0063 5.4897 5.4897 9.3720 9.3720 9.4336 9.4336 11.0315 11.0315 11.2394 11.2394 k = 0.6842-0.1951-0.5414 ( 3102 PWs) bands (ev): -35.3870 -35.3870 -19.8175 -19.8175 -16.3957 -16.3957 -14.9966 -14.9966 -14.9367 -14.9367 -5.0951 -5.0951 -4.9118 -4.9118 -4.3160 -4.3160 -3.6780 -3.6780 -3.4932 -3.4932 3.6569 3.6569 3.7257 3.7257 4.5081 4.5081 4.6312 4.6312 5.0407 5.0407 5.5165 5.5165 9.3773 9.3773 9.4087 9.4087 11.0021 11.0021 11.1617 11.1617 k = 0.6779-0.1839-0.5200 ( 3116 PWs) bands (ev): -35.3874 -35.3874 -19.8192 -19.8192 -16.3939 -16.3939 -14.9946 -14.9946 -14.9341 -14.9341 -5.1176 -5.1176 -4.9063 -4.9063 -4.3119 -4.3119 -3.6692 -3.6692 -3.4860 -3.4860 3.6660 3.6660 3.7261 3.7261 4.5041 4.5041 4.6568 4.6568 5.0766 5.0766 5.5407 5.5407 9.3708 9.3708 9.4001 9.4001 10.9686 10.9686 11.0862 11.0862 k = 0.6715-0.1726-0.4986 ( 3108 PWs) bands (ev): -35.3877 -35.3877 -19.8210 -19.8210 -16.3921 -16.3921 -14.9926 -14.9926 -14.9315 -14.9315 -5.1421 -5.1421 -4.8986 -4.8986 -4.3080 -4.3080 -3.6603 -3.6603 -3.4791 -3.4791 3.6742 3.6742 3.7281 3.7281 4.5003 4.5003 4.6846 4.6846 5.1135 5.1135 5.5619 5.5619 9.3523 9.3523 9.4079 9.4079 10.9309 10.9309 11.0143 11.0143 k = 0.6652-0.1613-0.4772 ( 3110 PWs) bands (ev): -35.3881 -35.3881 -19.8227 -19.8227 -16.3903 -16.3903 -14.9906 -14.9906 -14.9288 -14.9288 -5.1679 -5.1679 -4.8890 -4.8890 -4.3043 -4.3043 -3.6512 -3.6512 -3.4725 -3.4725 3.6811 3.6811 3.7318 3.7318 4.4970 4.4970 4.7146 4.7146 5.1514 5.1514 5.5800 5.5800 9.3341 9.3341 9.4195 9.4195 10.8879 10.8879 10.9482 10.9482 k = 0.6588-0.1501-0.4558 ( 3112 PWs) bands (ev): -35.3885 -35.3885 -19.8245 -19.8245 -16.3885 -16.3885 -14.9886 -14.9886 -14.9259 -14.9259 -5.1945 -5.1945 -4.8780 -4.8780 -4.3008 -4.3008 -3.6421 -3.6421 -3.4662 -3.4662 3.6864 3.6864 3.7373 3.7373 4.4940 4.4940 4.7470 4.7470 5.1899 5.1899 5.5946 5.5946 9.3184 9.3184 9.4328 9.4328 10.8382 10.8382 10.8903 10.8903 k = 0.6525-0.1388-0.4344 ( 3112 PWs) bands (ev): -35.3888 -35.3888 -19.8263 -19.8263 -16.3866 -16.3866 -14.9868 -14.9868 -14.9230 -14.9230 -5.2216 -5.2216 -4.8659 -4.8659 -4.2976 -4.2976 -3.6330 -3.6330 -3.4602 -3.4602 3.6902 3.6902 3.7448 3.7448 4.4914 4.4914 4.7822 4.7822 5.2287 5.2287 5.6055 5.6055 9.3055 9.3055 9.4469 9.4469 10.7838 10.7838 10.8396 10.8396 k = 0.6461-0.1276-0.4130 ( 3112 PWs) bands (ev): -35.3892 -35.3892 -19.8281 -19.8281 -16.3848 -16.3848 -14.9849 -14.9849 -14.9199 -14.9199 -5.2490 -5.2490 -4.8528 -4.8528 -4.2946 -4.2946 -3.6238 -3.6238 -3.4546 -3.4546 3.6922 3.6922 3.7544 3.7544 4.4889 4.4889 4.8203 4.8203 5.2675 5.2675 5.6127 5.6127 9.2955 9.2955 9.4617 9.4617 10.7294 10.7294 10.7922 10.7922 k = 0.6398-0.1163-0.3915 ( 3112 PWs) bands (ev): -35.3896 -35.3896 -19.8299 -19.8299 -16.3830 -16.3830 -14.9832 -14.9832 -14.9168 -14.9168 -5.2763 -5.2763 -4.8390 -4.8390 -4.2920 -4.2920 -3.6148 -3.6148 -3.4493 -3.4493 3.6925 3.6925 3.7661 3.7661 4.4862 4.4862 4.8615 4.8615 5.3059 5.3059 5.6160 5.6160 9.2883 9.2883 9.4767 9.4767 10.6784 10.6784 10.7453 10.7453 k = 0.6334-0.1051-0.3701 ( 3118 PWs) bands (ev): -35.3900 -35.3900 -19.8317 -19.8317 -16.3812 -16.3812 -14.9816 -14.9816 -14.9135 -14.9135 -5.3035 -5.3035 -4.8246 -4.8246 -4.2897 -4.2897 -3.6059 -3.6059 -3.4444 -3.4444 3.6913 3.6913 3.7800 3.7800 4.4833 4.4833 4.9059 4.9059 5.3435 5.3435 5.6157 5.6157 9.2837 9.2837 9.4918 9.4918 10.6321 10.6321 10.6982 10.6982 k = 0.6271-0.0938-0.3487 ( 3116 PWs) bands (ev): -35.3903 -35.3903 -19.8335 -19.8335 -16.3794 -16.3794 -14.9801 -14.9801 -14.9102 -14.9102 -5.3302 -5.3302 -4.8097 -4.8097 -4.2877 -4.2877 -3.5971 -3.5971 -3.4398 -3.4398 3.6886 3.6886 3.7962 3.7962 4.4801 4.4801 4.9532 4.9532 5.3796 5.3796 5.6121 5.6121 9.2816 9.2816 9.5067 9.5067 10.5907 10.5907 10.6511 10.6511 k = 0.6207-0.0825-0.3273 ( 3114 PWs) bands (ev): -35.3907 -35.3907 -19.8352 -19.8352 -16.3776 -16.3776 -14.9787 -14.9787 -14.9068 -14.9068 -5.3565 -5.3565 -4.7945 -4.7945 -4.2861 -4.2861 -3.5885 -3.5885 -3.4355 -3.4355 3.6846 3.6846 3.8147 3.8147 4.4764 4.4764 5.0034 5.0034 5.4129 5.4129 5.6061 5.6061 9.2818 9.2818 9.5211 9.5211 10.5528 10.5528 10.6060 10.6060 k = 0.6143-0.0713-0.3059 ( 3114 PWs) bands (ev): -35.3910 -35.3910 -19.8369 -19.8369 -16.3759 -16.3759 -14.9774 -14.9774 -14.9034 -14.9034 -5.3821 -5.3821 -4.7790 -4.7790 -4.2848 -4.2848 -3.5802 -3.5802 -3.4315 -3.4315 3.6796 3.6796 3.8354 3.8354 4.4723 4.4723 5.0562 5.0562 5.4413 5.4413 5.5999 5.5999 9.2841 9.2841 9.5349 9.5349 10.5132 10.5132 10.5679 10.5679 k = 0.6080-0.0600-0.2845 ( 3114 PWs) bands (ev): -35.3914 -35.3914 -19.8386 -19.8386 -16.3743 -16.3743 -14.9763 -14.9763 -14.8999 -14.8999 -5.4070 -5.4070 -4.7634 -4.7634 -4.2840 -4.2840 -3.5720 -3.5720 -3.4279 -3.4279 3.6736 3.6736 3.8585 3.8585 4.4677 4.4677 5.1111 5.1111 5.4605 5.4605 5.5974 5.5974 9.2883 9.2883 9.5477 9.5477 10.4666 10.4666 10.5422 10.5422 k = 0.6016-0.0488-0.2631 ( 3122 PWs) bands (ev): -35.3917 -35.3917 -19.8402 -19.8402 -16.3727 -16.3727 -14.9752 -14.9752 -14.8964 -14.8964 -5.4310 -5.4310 -4.7477 -4.7477 -4.2834 -4.2834 -3.5642 -3.5642 -3.4245 -3.4245 3.6670 3.6670 3.8838 3.8838 4.4627 4.4627 5.1678 5.1678 5.4654 5.4654 5.6041 5.6041 9.2942 9.2942 9.5595 9.5595 10.4141 10.4141 10.5278 10.5278 k = 0.5953-0.0375-0.2417 ( 3118 PWs) bands (ev): -35.3920 -35.3920 -19.8417 -19.8417 -16.3711 -16.3711 -14.9743 -14.9743 -14.8930 -14.8930 -5.4541 -5.4541 -4.7322 -4.7322 -4.2833 -4.2833 -3.5567 -3.5567 -3.4215 -3.4215 3.6599 3.6599 3.9114 3.9114 4.4574 4.4574 5.2257 5.2257 5.4548 5.4548 5.6211 5.6211 9.3019 9.3019 9.5700 9.5700 10.3582 10.3582 10.5214 10.5214 k = 0.5889-0.0263-0.2203 ( 3118 PWs) bands (ev): -35.3923 -35.3923 -19.8432 -19.8432 -16.3697 -16.3697 -14.9734 -14.9734 -14.8896 -14.8896 -5.4760 -5.4760 -4.7168 -4.7168 -4.2835 -4.2835 -3.5496 -3.5496 -3.4187 -3.4187 3.6524 3.6524 3.9412 3.9412 4.4518 4.4518 5.2836 5.2836 5.4334 5.4334 5.6445 5.6445 9.3112 9.3112 9.5790 9.5790 10.3004 10.3004 10.5208 10.5208 k = 0.5826-0.0150-0.1989 ( 3118 PWs) bands (ev): -35.3926 -35.3926 -19.8446 -19.8446 -16.3683 -16.3683 -14.9726 -14.9726 -14.8864 -14.8864 -5.4969 -5.4969 -4.7017 -4.7017 -4.2840 -4.2840 -3.5428 -3.5428 -3.4161 -3.4161 3.6449 3.6449 3.9731 3.9731 4.4461 4.4461 5.3379 5.3379 5.4083 5.4083 5.6703 5.6703 9.3221 9.3221 9.5865 9.5865 10.2417 10.2417 10.5234 10.5234 k = 0.5762-0.0037-0.1775 ( 3116 PWs) bands (ev): -35.3929 -35.3929 -19.8460 -19.8460 -16.3670 -16.3670 -14.9720 -14.9720 -14.8832 -14.8832 -5.5165 -5.5165 -4.6870 -4.6870 -4.2849 -4.2849 -3.5365 -3.5365 -3.4138 -3.4138 3.6373 3.6373 4.0069 4.0069 4.4402 4.4402 5.3528 5.3528 5.4171 5.4171 5.6966 5.6966 9.3347 9.3347 9.5921 9.5921 10.1831 10.1831 10.5265 10.5265 k = 0.5699 0.0075-0.1561 ( 3120 PWs) bands (ev): -35.3932 -35.3932 -19.8472 -19.8472 -16.3658 -16.3658 -14.9714 -14.9714 -14.8802 -14.8802 -5.5348 -5.5348 -4.6728 -4.6728 -4.2860 -4.2860 -3.5305 -3.5305 -3.4117 -3.4117 3.6298 3.6298 4.0425 4.0425 4.4345 4.4345 5.3198 5.3198 5.4689 5.4689 5.7223 5.7223 9.3490 9.3490 9.5957 9.5957 10.1255 10.1255 10.5266 10.5266 k = 0.5635 0.0188-0.1347 ( 3120 PWs) bands (ev): -35.3934 -35.3934 -19.8484 -19.8484 -16.3646 -16.3646 -14.9709 -14.9709 -14.8773 -14.8773 -5.5517 -5.5517 -4.6593 -4.6593 -4.2874 -4.2874 -3.5251 -3.5251 -3.4099 -3.4099 3.6226 3.6226 4.0798 4.0798 4.4288 4.4288 5.2789 5.2789 5.5241 5.5241 5.7467 5.7467 9.3650 9.3650 9.5972 9.5972 10.0700 10.0700 10.5202 10.5202 k = 0.5572 0.0300-0.1133 ( 3122 PWs) bands (ev): -35.3936 -35.3936 -19.8495 -19.8495 -16.3636 -16.3636 -14.9704 -14.9704 -14.8747 -14.8747 -5.5673 -5.5673 -4.6465 -4.6465 -4.2890 -4.2890 -3.5200 -3.5200 -3.4082 -3.4082 3.6158 3.6158 4.1183 4.1183 4.4235 4.4235 5.2349 5.2349 5.5778 5.5778 5.7696 5.7696 9.3825 9.3825 9.5961 9.5961 10.0178 10.0178 10.5048 10.5048 k = 0.5508 0.0413-0.0919 ( 3128 PWs) bands (ev): -35.3939 -35.3939 -19.8504 -19.8504 -16.3627 -16.3627 -14.9700 -14.9700 -14.8722 -14.8722 -5.5813 -5.5813 -4.6346 -4.6346 -4.2907 -4.2907 -3.5155 -3.5155 -3.4068 -3.4068 3.6095 3.6095 4.1578 4.1578 4.4184 4.4184 5.1894 5.1894 5.6285 5.6285 5.7909 5.7909 9.4013 9.4013 9.5923 9.5923 9.9701 9.9701 10.4802 10.4802 k = 0.5445 0.0525-0.0705 ( 3122 PWs) bands (ev): -35.3940 -35.3940 -19.8513 -19.8513 -16.3618 -16.3618 -14.9697 -14.9697 -14.8700 -14.8700 -5.5938 -5.5938 -4.6236 -4.6236 -4.2925 -4.2925 -3.5115 -3.5115 -3.4055 -3.4055 3.6037 3.6037 4.1977 4.1977 4.4139 4.4139 5.1431 5.1431 5.6751 5.6751 5.8107 5.8107 9.4212 9.4212 9.5857 9.5857 9.9280 9.9280 10.4483 10.4483 k = 0.5381 0.0638-0.0491 ( 3118 PWs) bands (ev): -35.3942 -35.3942 -19.8521 -19.8521 -16.3611 -16.3611 -14.9694 -14.9694 -14.8680 -14.8680 -5.6047 -5.6047 -4.6138 -4.6138 -4.2943 -4.2943 -3.5080 -3.5080 -3.4044 -3.4044 3.5986 3.5986 4.2374 4.2374 4.4099 4.4099 5.0972 5.0972 5.7166 5.7166 5.8289 5.8289 9.4416 9.4416 9.5764 9.5764 9.8925 9.8925 10.4123 10.4123 k = 0.5318 0.0751-0.0277 ( 3120 PWs) bands (ev): -35.3943 -35.3943 -19.8527 -19.8527 -16.3605 -16.3605 -14.9692 -14.9692 -14.8663 -14.8663 -5.6140 -5.6140 -4.6052 -4.6052 -4.2960 -4.2960 -3.5050 -3.5050 -3.4035 -3.4035 3.5942 3.5942 4.2758 4.2758 4.4067 4.4067 5.0529 5.0529 5.7520 5.7520 5.8457 5.8457 9.4617 9.4617 9.5649 9.5649 9.8639 9.8639 10.3753 10.3753 k = 0.5254 0.0863-0.0063 ( 3116 PWs) bands (ev): -35.3944 -35.3944 -19.8532 -19.8532 -16.3600 -16.3600 -14.9690 -14.9690 -14.8649 -14.8649 -5.6217 -5.6217 -4.5980 -4.5980 -4.2975 -4.2975 -3.5026 -3.5026 -3.4027 -3.4027 3.5904 3.5904 4.3116 4.3116 4.4044 4.4044 5.0115 5.0115 5.7804 5.7804 5.8613 5.8613 9.4807 9.4807 9.5526 9.5526 9.8421 9.8421 10.3404 10.3404 k = 0.5191 0.0976 0.0151 ( 3120 PWs) bands (ev): -35.3945 -35.3945 -19.8537 -19.8537 -16.3596 -16.3596 -14.9688 -14.9688 -14.8638 -14.8638 -5.6277 -5.6277 -4.5922 -4.5922 -4.2988 -4.2988 -3.5007 -3.5007 -3.4022 -3.4022 3.5875 3.5875 4.3424 4.3424 4.4037 4.4037 4.9751 4.9751 5.8014 5.8014 5.8753 5.8753 9.4975 9.4975 9.5407 9.5407 9.8264 9.8264 10.3100 10.3100 k = 0.5127 0.1088 0.0365 ( 3120 PWs) bands (ev): -35.3946 -35.3946 -19.8540 -19.8540 -16.3593 -16.3593 -14.9687 -14.9687 -14.8630 -14.8630 -5.6320 -5.6320 -4.5880 -4.5880 -4.2998 -4.2998 -3.4993 -3.4993 -3.4017 -3.4017 3.5854 3.5854 4.3650 4.3650 4.4055 4.4055 4.9459 4.9459 5.8155 5.8155 5.8866 5.8866 9.5107 9.5107 9.5309 9.5309 9.8160 9.8160 10.2864 10.2864 k = 0.5064 0.1201 0.0579 ( 3124 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8626 -14.8626 -5.6345 -5.6345 -4.5855 -4.5855 -4.3004 -4.3004 -3.4985 -3.4985 -3.4015 -3.4015 3.5841 3.5841 4.3767 4.3767 4.4101 4.4101 4.9269 4.9269 5.8234 5.8234 5.8941 5.8941 9.5191 9.5191 9.5245 9.5245 9.8102 9.8102 10.2714 10.2714 k = 0.5000 0.1313 0.0793 ( 3136 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6354 -5.6354 -4.5846 -4.5846 -4.3006 -4.3006 -3.4982 -3.4982 -3.4014 -3.4014 3.5837 3.5837 4.3797 4.3797 4.4128 4.4128 4.9202 4.9202 5.8260 5.8260 5.8967 5.8967 9.5213 9.5213 9.5230 9.5230 9.8083 9.8083 10.2662 10.2662 k = 0.5000 0.1313 0.0793 ( 3136 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6354 -5.6354 -4.5846 -4.5846 -4.3006 -4.3006 -3.4982 -3.4982 -3.4014 -3.4014 3.5837 3.5837 4.3797 4.3797 4.4128 4.4128 4.9202 4.9202 5.8260 5.8260 5.8967 5.8967 9.5213 9.5213 9.5230 9.5230 9.8083 9.8083 10.2662 10.2662 k = 0.4762 0.1251 0.0755 ( 3118 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6345 -5.6345 -4.5880 -4.5880 -4.2990 -4.2990 -3.4982 -3.4982 -3.4003 -3.4003 3.5800 3.5800 4.3795 4.3795 4.4125 4.4125 4.9254 4.9254 5.8266 5.8266 5.8973 5.8973 9.5210 9.5210 9.5227 9.5227 9.8073 9.8073 10.2635 10.2635 k = 0.4524 0.1188 0.0718 ( 3128 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6318 -5.6318 -4.5979 -4.5979 -4.2946 -4.2946 -3.4982 -3.4982 -3.3969 -3.3969 3.5691 3.5691 4.3787 4.3787 4.4118 4.4118 4.9409 4.9409 5.8282 5.8282 5.8989 5.8989 9.5201 9.5201 9.5218 9.5218 9.8044 9.8044 10.2551 10.2551 k = 0.4286 0.1126 0.0680 ( 3128 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6272 -5.6272 -4.6137 -4.6137 -4.2878 -4.2878 -3.4982 -3.4982 -3.3914 -3.3914 3.5517 3.5517 4.3775 4.3775 4.4105 4.4105 4.9659 4.9659 5.8309 5.8309 5.9017 5.9017 9.5186 9.5186 9.5202 9.5202 9.7996 9.7996 10.2408 10.2408 k = 0.4048 0.1063 0.0642 ( 3122 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6209 -5.6209 -4.6342 -4.6342 -4.2796 -4.2796 -3.4982 -3.4982 -3.3839 -3.3839 3.5288 3.5288 4.3758 4.3758 4.4089 4.4089 4.9994 4.9994 5.8346 5.8346 5.9054 5.9054 9.5165 9.5165 9.5181 9.5181 9.7929 9.7929 10.2205 10.2205 k = 0.3810 0.1001 0.0604 ( 3104 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6127 -5.6127 -4.6587 -4.6587 -4.2707 -4.2707 -3.4982 -3.4982 -3.3746 -3.3746 3.5014 3.5014 4.3738 4.3738 4.4068 4.4068 5.0401 5.0401 5.8392 5.8392 5.9101 5.9101 9.5139 9.5139 9.5155 9.5155 9.7842 9.7842 10.1940 10.1940 k = 0.3571 0.0938 0.0567 ( 3107 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6028 -5.6028 -4.6863 -4.6863 -4.2616 -4.2616 -3.4982 -3.4982 -3.3638 -3.3638 3.4707 3.4707 4.3714 4.3714 4.4044 4.4044 5.0866 5.0866 5.8446 5.8446 5.9156 5.9156 9.5109 9.5109 9.5124 9.5124 9.7732 9.7732 10.1618 10.1618 k = 0.3333 0.0876 0.0529 ( 3107 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9688 -14.9688 -14.8624 -14.8624 -5.5913 -5.5913 -4.7163 -4.7163 -4.2527 -4.2527 -3.4982 -3.4982 -3.3518 -3.3518 3.4378 3.4378 4.3687 4.3687 4.4017 4.4017 5.1377 5.1377 5.8508 5.8508 5.9218 5.9218 9.5075 9.5075 9.5090 9.5090 9.7597 9.7597 10.1249 10.1249 k = 0.3095 0.0813 0.0491 ( 3107 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9688 -14.9688 -14.8624 -14.8624 -5.5780 -5.5780 -4.7482 -4.7482 -4.2442 -4.2442 -3.4981 -3.4981 -3.3389 -3.3389 3.4037 3.4037 4.3658 4.3658 4.3987 4.3987 5.1919 5.1919 5.8575 5.8575 5.9286 5.9286 9.5037 9.5037 9.5053 9.5053 9.7431 9.7431 10.0846 10.0846 k = 0.2857 0.0751 0.0453 ( 3113 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9688 -14.9688 -14.8624 -14.8624 -5.5631 -5.5631 -4.7815 -4.7815 -4.2364 -4.2364 -3.4981 -3.4981 -3.3254 -3.3254 3.3694 3.3694 4.3627 4.3627 4.3956 4.3956 5.2482 5.2482 5.8647 5.8647 5.9358 5.9358 9.4997 9.4997 9.5013 9.5013 9.7227 9.7227 10.0432 10.0432 k = 0.2619 0.0688 0.0416 ( 3125 PWs) bands (ev): -35.3946 -35.3946 -19.8542 -19.8542 -16.3591 -16.3591 -14.9688 -14.9688 -14.8624 -14.8624 -5.5467 -5.5467 -4.8157 -4.8157 -4.2293 -4.2293 -3.4981 -3.4981 -3.3116 -3.3116 3.3355 3.3355 4.3596 4.3596 4.3925 4.3925 5.3053 5.3053 5.8721 5.8721 5.9432 5.9432 9.4956 9.4956 9.4973 9.4973 9.6979 9.6979 10.0030 10.0030 k = 0.2381 0.0625 0.0378 ( 3134 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3591 -16.3591 -14.9689 -14.9689 -14.8624 -14.8624 -5.5289 -5.5289 -4.8506 -4.8506 -4.2229 -4.2229 -3.4981 -3.4981 -3.2979 -3.2979 3.3027 3.3027 4.3565 4.3565 4.3893 4.3893 5.3622 5.3622 5.8797 5.8797 5.9507 5.9507 9.4913 9.4913 9.4932 9.4932 9.6679 9.6679 9.9663 9.9663 k = 0.2143 0.0563 0.0340 ( 3143 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3591 -16.3591 -14.9689 -14.9689 -14.8624 -14.8624 -5.5097 -5.5097 -4.8858 -4.8858 -4.2173 -4.2173 -3.4981 -3.4981 -3.2845 -3.2845 3.2717 3.2717 4.3534 4.3534 4.3861 4.3861 5.4177 5.4177 5.8873 5.8873 5.9581 5.9581 9.4869 9.4869 9.4892 9.4892 9.6331 9.6331 9.9347 9.9347 k = 0.1905 0.0500 0.0302 ( 3143 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3592 -16.3592 -14.9689 -14.9689 -14.8624 -14.8624 -5.4894 -5.4894 -4.9210 -4.9210 -4.2124 -4.2124 -3.4981 -3.4981 -3.2717 -3.2717 3.2428 3.2428 4.3505 4.3505 4.3831 4.3831 5.4708 5.4708 5.8948 5.8948 5.9652 5.9652 9.4824 9.4824 9.4853 9.4853 9.5947 9.5947 9.9089 9.9089 k = 0.1667 0.0438 0.0264 ( 3143 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3592 -16.3592 -14.9689 -14.9689 -14.8624 -14.8624 -5.4680 -5.4680 -4.9557 -4.9557 -4.2082 -4.2082 -3.4981 -3.4981 -3.2598 -3.2598 3.2164 3.2164 4.3477 4.3477 4.3803 4.3803 5.5205 5.5205 5.9020 5.9020 5.9719 5.9719 9.4772 9.4772 9.4817 9.4817 9.5551 9.5551 9.8884 9.8884 k = 0.1429 0.0375 0.0227 ( 3137 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9689 -14.9689 -14.8624 -14.8624 -5.4460 -5.4460 -4.9895 -4.9895 -4.2046 -4.2046 -3.4981 -3.4981 -3.2490 -3.2490 3.1930 3.1930 4.3452 4.3452 4.3778 4.3778 5.5658 5.5658 5.9088 5.9088 5.9781 5.9781 9.4699 9.4699 9.4784 9.4784 9.5183 9.5183 9.8725 9.8725 k = 0.1190 0.0313 0.0189 ( 3146 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.4237 -5.4237 -5.0220 -5.0220 -4.2016 -4.2016 -3.4981 -3.4981 -3.2396 -3.2396 3.1727 3.1727 4.3430 4.3430 4.3755 4.3755 5.6058 5.6058 5.9150 5.9150 5.9836 5.9836 9.4546 9.4546 9.4754 9.4754 9.4923 9.4923 9.8603 9.8603 k = 0.0952 0.0250 0.0151 ( 3137 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.4018 -5.4018 -5.0524 -5.0524 -4.1992 -4.1992 -3.4981 -3.4981 -3.2316 -3.2316 3.1558 3.1558 4.3412 4.3412 4.3736 4.3736 5.6397 5.6397 5.9205 5.9205 5.9882 5.9882 9.4290 9.4290 9.4730 9.4730 9.4814 9.4814 9.8512 9.8512 k = 0.0714 0.0188 0.0113 ( 3128 PWs) bands (ev): -35.3946 -35.3946 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3813 -5.3813 -5.0795 -5.0795 -4.1974 -4.1974 -3.4981 -3.4981 -3.2252 -3.2252 3.1425 3.1425 4.3397 4.3397 4.3720 4.3720 5.6667 5.6667 5.9250 5.9250 5.9920 5.9920 9.4037 9.4037 9.4710 9.4710 9.4767 9.4767 9.8445 9.8445 k = 0.0476 0.0125 0.0076 ( 3128 PWs) bands (ev): -35.3946 -35.3946 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3638 -5.3638 -5.1018 -5.1018 -4.1961 -4.1961 -3.4981 -3.4981 -3.2206 -3.2206 3.1329 3.1329 4.3386 4.3386 4.3709 4.3709 5.6864 5.6864 5.9285 5.9285 5.9947 5.9947 9.3839 9.3839 9.4695 9.4695 9.4742 9.4742 9.8400 9.8400 k = 0.0238 0.0063 0.0038 ( 3131 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3515 -5.3515 -5.1169 -5.1169 -4.1953 -4.1953 -3.4981 -3.4981 -3.2177 -3.2177 3.1271 3.1271 4.3379 4.3379 4.3702 4.3702 5.6984 5.6984 5.9307 5.9307 5.9964 5.9964 9.3714 9.3714 9.4686 9.4686 9.4729 9.4729 9.8373 9.8373 k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3471 -5.3471 -5.1224 -5.1224 -4.1951 -4.1951 -3.4981 -3.4981 -3.2168 -3.2168 3.1252 3.1252 4.3377 4.3377 4.3700 4.3700 5.7024 5.7024 5.9314 5.9314 5.9969 5.9969 9.3672 9.3672 9.4684 9.4684 9.4725 9.4725 9.8364 9.8364 k = 0.0000 0.0000 0.0000 ( 3131 PWs) bands (ev): -35.3947 -35.3947 -19.8541 -19.8541 -16.3592 -16.3592 -14.9690 -14.9690 -14.8624 -14.8624 -5.3471 -5.3471 -5.1224 -5.1224 -4.1951 -4.1951 -3.4981 -3.4981 -3.2168 -3.2168 3.1252 3.1252 4.3377 4.3377 4.3700 4.3700 5.7024 5.7024 5.9314 5.9314 5.9969 5.9969 9.3672 9.3672 9.4684 9.4684 9.4725 9.4725 9.8364 9.8364 k = 0.0063-0.0112-0.0213 ( 3125 PWs) bands (ev): -35.3946 -35.3946 -19.8541 -19.8541 -16.3593 -16.3593 -14.9690 -14.9690 -14.8626 -14.8626 -5.3465 -5.3465 -5.1221 -5.1221 -4.1954 -4.1954 -3.4985 -3.4985 -3.2173 -3.2173 3.1266 3.1266 4.3373 4.3373 4.3697 4.3697 5.7026 5.7026 5.9280 5.9280 5.9933 5.9933 9.3695 9.3695 9.4690 9.4690 9.4741 9.4741 9.8404 9.8404 k = 0.0126-0.0224-0.0426 ( 3123 PWs) bands (ev): -35.3946 -35.3946 -19.8539 -19.8539 -16.3594 -16.3594 -14.9691 -14.9691 -14.8630 -14.8630 -5.3446 -5.3446 -5.1213 -5.1213 -4.1964 -4.1964 -3.4996 -3.4996 -3.2187 -3.2187 3.1309 3.1309 4.3360 4.3360 4.3688 4.3688 5.7031 5.7031 5.9170 5.9170 5.9832 5.9832 9.3762 9.3762 9.4691 9.4691 9.4807 9.4807 9.8526 9.8526 k = 0.0190-0.0336-0.0639 ( 3117 PWs) bands (ev): -35.3945 -35.3945 -19.8536 -19.8536 -16.3597 -16.3597 -14.9692 -14.9692 -14.8638 -14.8638 -5.3416 -5.3416 -5.1199 -5.1199 -4.1980 -4.1980 -3.5016 -3.5016 -3.2210 -3.2210 3.1380 3.1380 4.3331 4.3331 4.3683 4.3683 5.7036 5.7036 5.8970 5.8970 5.9687 5.9687 9.3872 9.3872 9.4683 9.4683 9.4920 9.4920 9.8731 9.8731 k = 0.0253-0.0448-0.0851 ( 3115 PWs) bands (ev): -35.3944 -35.3944 -19.8532 -19.8532 -16.3601 -16.3601 -14.9693 -14.9693 -14.8649 -14.8649 -5.3374 -5.3374 -5.1180 -5.1180 -4.2003 -4.2003 -3.5043 -3.5043 -3.2243 -3.2243 3.1480 3.1480 4.3278 4.3278 4.3688 4.3688 5.7037 5.7037 5.8669 5.8669 5.9520 5.9520 9.4021 9.4021 9.4674 9.4674 9.5066 9.5066 9.9022 9.9022 k = 0.0316-0.0560-0.1064 ( 3113 PWs) bands (ev): -35.3943 -35.3943 -19.8526 -19.8526 -16.3606 -16.3606 -14.9695 -14.9695 -14.8663 -14.8663 -5.3320 -5.3320 -5.1156 -5.1156 -4.2032 -4.2032 -3.5077 -3.5077 -3.2285 -3.2285 3.1607 3.1607 4.3199 4.3199 4.3708 4.3708 5.7021 5.7021 5.8278 5.8278 5.9340 5.9340 9.4201 9.4201 9.4671 9.4671 9.5236 9.5236 9.9402 9.9402 k = 0.0379-0.0672-0.1277 ( 3113 PWs) bands (ev): -35.3942 -35.3942 -19.8520 -19.8520 -16.3612 -16.3612 -14.9697 -14.9697 -14.8680 -14.8680 -5.3256 -5.3256 -5.1126 -5.1126 -4.2066 -4.2066 -3.5119 -3.5119 -3.2335 -3.2335 3.1760 3.1760 4.3095 4.3095 4.3743 4.3743 5.6951 5.6951 5.7846 5.7846 5.9145 5.9145 9.4392 9.4392 9.4690 9.4690 9.5424 9.5424 9.9866 9.9866 k = 0.0442-0.0784-0.1490 ( 3109 PWs) bands (ev): -35.3940 -35.3940 -19.8512 -19.8512 -16.3619 -16.3619 -14.9700 -14.9700 -14.8699 -14.8699 -5.3181 -5.3181 -5.1091 -5.1091 -4.2107 -4.2107 -3.5167 -3.5167 -3.2394 -3.2394 3.1940 3.1940 4.2971 4.2971 4.3790 4.3790 5.6708 5.6708 5.7501 5.7501 5.8933 5.8933 9.4523 9.4523 9.4794 9.4794 9.5632 9.5632 10.0408 10.0408 k = 0.0505-0.0896-0.1703 ( 3117 PWs) bands (ev): -35.3938 -35.3938 -19.8504 -19.8504 -16.3628 -16.3628 -14.9703 -14.9703 -14.8721 -14.8721 -5.3097 -5.3097 -5.1050 -5.1050 -4.2152 -4.2152 -3.5222 -3.5222 -3.2461 -3.2461 3.2145 3.2145 4.2830 4.2830 4.3847 4.3847 5.6199 5.6199 5.7348 5.7348 5.8702 5.8702 9.4565 9.4565 9.5002 9.5002 9.5869 9.5869 10.1018 10.1018 k = 0.0569-0.1008-0.1916 ( 3119 PWs) bands (ev): -35.3936 -35.3936 -19.8494 -19.8494 -16.3637 -16.3637 -14.9707 -14.9707 -14.8745 -14.8745 -5.3004 -5.3004 -5.1004 -5.1004 -4.2203 -4.2203 -3.5282 -3.5282 -3.2535 -3.2535 3.2374 3.2374 4.2676 4.2676 4.3910 4.3910 5.5536 5.5536 5.7283 5.7283 5.8455 5.8455 9.4584 9.4584 9.5229 9.5229 9.6151 9.6151 10.1681 10.1681 k = 0.0632-0.1120-0.2129 ( 3113 PWs) bands (ev): -35.3934 -35.3934 -19.8484 -19.8484 -16.3647 -16.3647 -14.9711 -14.9711 -14.8772 -14.8772 -5.2902 -5.2902 -5.0953 -5.0953 -4.2258 -4.2258 -3.5348 -3.5348 -3.2616 -3.2616 3.2625 3.2625 4.2512 4.2512 4.3979 4.3979 5.4800 5.4800 5.7228 5.7228 5.8199 5.8199 9.4604 9.4604 9.5438 9.5438 9.6494 9.6494 10.2383 10.2383 k = 0.0695-0.1232-0.2342 ( 3107 PWs) bands (ev): -35.3932 -35.3932 -19.8472 -19.8472 -16.3658 -16.3658 -14.9716 -14.9716 -14.8800 -14.8800 -5.2794 -5.2794 -5.0896 -5.0896 -4.2317 -4.2317 -3.5419 -3.5419 -3.2703 -3.2703 3.2898 3.2898 4.2341 4.2341 4.4052 4.4052 5.4021 5.4021 5.7146 5.7146 5.7948 5.7948 9.4634 9.4634 9.5617 9.5617 9.6901 9.6901 10.3108 10.3108 k = 0.0758-0.1344-0.2554 ( 3107 PWs) bands (ev): -35.3929 -35.3929 -19.8460 -19.8460 -16.3670 -16.3670 -14.9722 -14.9722 -14.8830 -14.8830 -5.2680 -5.2680 -5.0834 -5.0834 -4.2379 -4.2379 -3.5495 -3.5495 -3.2797 -3.2797 3.3190 3.3190 4.2166 4.2166 4.4125 4.4125 5.3216 5.3216 5.7004 5.7004 5.7729 5.7729 9.4675 9.4675 9.5769 9.5769 9.7367 9.7367 10.3843 10.3843 k = 0.0821-0.1455-0.2767 ( 3105 PWs) bands (ev): -35.3926 -35.3926 -19.8446 -19.8446 -16.3683 -16.3683 -14.9729 -14.9729 -14.8861 -14.8861 -5.2560 -5.2560 -5.0766 -5.0766 -4.2444 -4.2444 -3.5574 -3.5574 -3.2895 -3.2895 3.3500 3.3500 4.1988 4.1988 4.4196 4.4196 5.2399 5.2399 5.6776 5.6776 5.7565 5.7565 9.4729 9.4729 9.5899 9.5899 9.7885 9.7885 10.4573 10.4573 k = 0.0885-0.1567-0.2980 ( 3105 PWs) bands (ev): -35.3923 -35.3923 -19.8432 -19.8432 -16.3697 -16.3697 -14.9736 -14.9736 -14.8894 -14.8894 -5.2437 -5.2437 -5.0692 -5.0692 -4.2511 -4.2511 -3.5657 -3.5657 -3.2999 -3.2999 3.3826 3.3826 4.1810 4.1810 4.4261 4.4261 5.1580 5.1580 5.6471 5.6471 5.7446 5.7446 9.4798 9.4798 9.6012 9.6012 9.8449 9.8449 10.5287 10.5287 k = 0.0948-0.1679-0.3193 ( 3101 PWs) bands (ev): -35.3920 -35.3920 -19.8418 -19.8418 -16.3711 -16.3711 -14.9744 -14.9744 -14.8927 -14.8927 -5.2312 -5.2312 -5.0613 -5.0613 -4.2579 -4.2579 -3.5743 -3.5743 -3.3107 -3.3107 3.4165 3.4165 4.1633 4.1633 4.4316 4.4316 5.0771 5.0771 5.6114 5.6114 5.7348 5.7348 9.4882 9.4882 9.6111 9.6111 9.9053 9.9053 10.5975 10.5975 k = 0.1011-0.1791-0.3406 ( 3105 PWs) bands (ev): -35.3917 -35.3917 -19.8402 -19.8402 -16.3726 -16.3726 -14.9753 -14.9753 -14.8961 -14.8961 -5.2186 -5.2186 -5.0528 -5.0528 -4.2648 -4.2648 -3.5832 -3.5832 -3.3218 -3.3218 3.4515 3.4515 4.1461 4.1461 4.4354 4.4354 4.9984 4.9984 5.5723 5.5723 5.7253 5.7253 9.4981 9.4981 9.6197 9.6197 9.9693 9.9693 10.6628 10.6628 k = 0.1074-0.1903-0.3619 ( 3107 PWs) bands (ev): -35.3914 -35.3914 -19.8387 -19.8387 -16.3742 -16.3742 -14.9764 -14.9764 -14.8996 -14.8996 -5.2060 -5.2060 -5.0438 -5.0438 -4.2718 -4.2718 -3.5922 -3.5922 -3.3332 -3.3332 3.4873 3.4873 4.1293 4.1293 4.4365 4.4365 4.9233 4.9233 5.5310 5.5310 5.7152 5.7152 9.5095 9.5095 9.6271 9.6271 10.0367 10.0367 10.7238 10.7238 k = 0.1137-0.2015-0.3832 ( 3111 PWs) bands (ev): -35.3910 -35.3910 -19.8370 -19.8370 -16.3759 -16.3759 -14.9775 -14.9775 -14.9030 -14.9030 -5.1935 -5.1935 -5.0343 -5.0343 -4.2786 -4.2786 -3.6013 -3.6013 -3.3449 -3.3449 3.5234 3.5234 4.1131 4.1131 4.4335 4.4335 4.8538 4.8538 5.4879 5.4879 5.7041 5.7041 9.5223 9.5223 9.6335 9.6335 10.1071 10.1071 10.7798 10.7798 k = 0.1200-0.2127-0.4044 ( 3113 PWs) bands (ev): -35.3907 -35.3907 -19.8353 -19.8353 -16.3775 -16.3775 -14.9788 -14.9788 -14.9064 -14.9064 -5.1813 -5.1813 -5.0242 -5.0242 -4.2853 -4.2853 -3.6105 -3.6105 -3.3567 -3.3567 3.5595 3.5595 4.0977 4.0977 4.4248 4.4248 4.7923 4.7923 5.4436 5.4436 5.6919 5.6919 9.5365 9.5365 9.6388 9.6388 10.1803 10.1803 10.8304 10.8304 k = 0.1264-0.2239-0.4257 ( 3117 PWs) bands (ev): -35.3903 -35.3903 -19.8336 -19.8336 -16.3793 -16.3793 -14.9801 -14.9801 -14.9098 -14.9098 -5.1695 -5.1695 -5.0137 -5.0137 -4.2918 -4.2918 -3.6198 -3.6198 -3.3687 -3.3687 3.5950 3.5950 4.0831 4.0831 4.4083 4.4083 4.7411 4.7411 5.3984 5.3984 5.6784 5.6784 9.5520 9.5520 9.6430 9.6430 10.2560 10.2560 10.8749 10.8749 k = 0.1327-0.2351-0.4470 ( 3109 PWs) bands (ev): -35.3900 -35.3900 -19.8319 -19.8319 -16.3810 -16.3810 -14.9816 -14.9816 -14.9131 -14.9131 -5.1580 -5.1580 -5.0027 -5.0027 -4.2980 -4.2980 -3.6289 -3.6289 -3.3808 -3.3808 3.6290 3.6290 4.0695 4.0695 4.3831 4.3831 4.7021 4.7021 5.3525 5.3525 5.6636 5.6636 9.5687 9.5687 9.6464 9.6464 10.3339 10.3339 10.9130 10.9130 k = 0.1390-0.2463-0.4683 ( 3105 PWs) bands (ev): -35.3896 -35.3896 -19.8301 -19.8301 -16.3828 -16.3828 -14.9832 -14.9832 -14.9164 -14.9164 -5.1471 -5.1471 -4.9913 -4.9913 -4.3039 -4.3039 -3.6380 -3.6380 -3.3929 -3.3929 3.6606 3.6606 4.0569 4.0569 4.3504 4.3504 4.6751 4.6751 5.3063 5.3063 5.6475 5.6475 9.5865 9.5865 9.6491 9.6491 10.4136 10.4136 10.9442 10.9442 k = 0.1453-0.2575-0.4896 ( 3101 PWs) bands (ev): -35.3892 -35.3892 -19.8283 -19.8283 -16.3846 -16.3846 -14.9848 -14.9848 -14.9196 -14.9196 -5.1368 -5.1368 -4.9797 -4.9797 -4.3094 -4.3094 -3.6469 -3.6469 -3.4051 -3.4051 3.6885 3.6885 4.0454 4.0454 4.3138 4.3138 4.6576 4.6576 5.2599 5.2599 5.6302 5.6302 9.6049 9.6049 9.6515 9.6515 10.4950 10.4950 10.9684 10.9684 k = 0.1516-0.2687-0.5109 ( 3101 PWs) bands (ev): -35.3888 -35.3888 -19.8265 -19.8265 -16.3864 -16.3864 -14.9866 -14.9866 -14.9226 -14.9226 -5.1269 -5.1269 -4.9679 -4.9679 -4.3146 -4.3146 -3.6556 -3.6556 -3.4171 -3.4171 3.7109 3.7109 4.0350 4.0350 4.2778 4.2778 4.6468 4.6468 5.2136 5.2136 5.6118 5.6118 9.6227 9.6227 9.6550 9.6550 10.5774 10.5774 10.9857 10.9857 k = 0.1580-0.2799-0.5322 ( 3112 PWs) bands (ev): -35.3885 -35.3885 -19.8247 -19.8247 -16.3883 -16.3883 -14.9884 -14.9884 -14.9256 -14.9256 -5.1177 -5.1177 -4.9560 -4.9560 -4.3193 -4.3193 -3.6640 -3.6640 -3.4291 -3.4291 3.7258 3.7258 4.0257 4.0257 4.2471 4.2471 4.6399 4.6399 5.1677 5.1677 5.5923 5.5923 9.6358 9.6358 9.6636 9.6636 10.6606 10.6606 10.9967 10.9967 k = 0.1643-0.2911-0.5535 ( 3108 PWs) bands (ev): -35.3881 -35.3881 -19.8230 -19.8230 -16.3901 -16.3901 -14.9904 -14.9904 -14.9284 -14.9284 -5.1091 -5.1091 -4.9440 -4.9440 -4.3235 -4.3235 -3.6721 -3.6721 -3.4410 -3.4410 3.7311 3.7311 4.0177 4.0177 4.2253 4.2253 4.6352 4.6352 5.1223 5.1223 5.5718 5.5718 9.6410 9.6410 9.6808 9.6808 10.7436 10.7436 11.0023 11.0023 k = 0.1706-0.3023-0.5747 ( 3104 PWs) bands (ev): -35.3877 -35.3877 -19.8212 -19.8212 -16.3919 -16.3919 -14.9923 -14.9923 -14.9311 -14.9311 -5.1009 -5.1009 -4.9322 -4.9322 -4.3273 -4.3273 -3.6798 -3.6798 -3.4528 -3.4528 3.7259 3.7259 4.0109 4.0109 4.2145 4.2145 4.6315 4.6315 5.0776 5.0776 5.5504 5.5504 9.6420 9.6420 9.7028 9.7028 10.8251 10.8251 11.0045 11.0045 k = 0.1769-0.3135-0.5960 ( 3102 PWs) bands (ev): -35.3874 -35.3874 -19.8195 -19.8195 -16.3937 -16.3937 -14.9943 -14.9943 -14.9338 -14.9338 -5.0933 -5.0933 -4.9206 -4.9206 -4.3307 -4.3307 -3.6872 -3.6872 -3.4644 -3.4644 3.7107 3.7107 4.0052 4.0052 4.2147 4.2147 4.6280 4.6280 5.0339 5.0339 5.5283 5.5283 9.6416 9.6416 9.7269 9.7269 10.9005 10.9005 11.0082 11.0082 k = 0.1832-0.3247-0.6173 ( 3104 PWs) bands (ev): -35.3870 -35.3870 -19.8178 -19.8178 -16.3954 -16.3954 -14.9963 -14.9963 -14.9363 -14.9363 -5.0862 -5.0862 -4.9092 -4.9092 -4.3336 -4.3336 -3.6941 -3.6941 -3.4758 -3.4758 3.6875 3.6875 4.0008 4.0008 4.2242 4.2242 4.6242 4.6242 4.9914 4.9914 5.5054 5.5054 9.6407 9.6407 9.7524 9.7524 10.9494 10.9494 11.0340 11.0340 k = 0.1895-0.3359-0.6386 ( 3106 PWs) bands (ev): -35.3867 -35.3867 -19.8161 -19.8161 -16.3971 -16.3971 -14.9982 -14.9982 -14.9388 -14.9388 -5.0796 -5.0796 -4.8982 -4.8982 -4.3362 -4.3362 -3.7005 -3.7005 -3.4871 -3.4871 3.6591 3.6591 3.9975 3.9975 4.2403 4.2403 4.6200 4.6200 4.9502 4.9502 5.4818 5.4818 9.6397 9.6397 9.7789 9.7789 10.9570 10.9570 11.0969 11.0969 k = 0.1959-0.3471-0.6599 ( 3106 PWs) bands (ev): -35.3864 -35.3864 -19.8145 -19.8145 -16.3988 -16.3988 -15.0001 -15.0001 -14.9411 -14.9411 -5.0733 -5.0733 -4.8876 -4.8876 -4.3383 -4.3383 -3.7064 -3.7064 -3.4981 -3.4981 3.6280 3.6280 3.9952 3.9952 4.2603 4.2603 4.6154 4.6154 4.9105 4.9105 5.4578 5.4578 9.6387 9.6387 9.8063 9.8063 10.9499 10.9499 11.1698 11.1698 k = 0.2022-0.3583-0.6812 ( 3116 PWs) bands (ev): -35.3861 -35.3861 -19.8129 -19.8129 -16.4004 -16.4004 -15.0020 -15.0020 -14.9434 -14.9434 -5.0674 -5.0674 -4.8774 -4.8774 -4.3402 -4.3402 -3.7119 -3.7119 -3.5089 -3.5089 3.5962 3.5962 3.9940 3.9940 4.2817 4.2817 4.6106 4.6106 4.8726 4.8726 5.4333 5.4333 9.6379 9.6379 9.8344 9.8344 10.9387 10.9387 11.2410 11.2410 k = 0.2085-0.3695-0.7025 ( 3114 PWs) bands (ev): -35.3857 -35.3857 -19.8114 -19.8114 -16.4020 -16.4020 -15.0037 -15.0037 -14.9457 -14.9457 -5.0618 -5.0618 -4.8679 -4.8679 -4.3417 -4.3417 -3.7169 -3.7169 -3.5194 -3.5194 3.5653 3.5653 3.9937 3.9937 4.3023 4.3023 4.6064 4.6064 4.8366 4.8366 5.4084 5.4084 9.6373 9.6373 9.8631 9.8631 10.9262 10.9262 11.3033 11.3033 k = 0.2148-0.3807-0.7238 ( 3106 PWs) bands (ev): -35.3854 -35.3854 -19.8099 -19.8099 -16.4035 -16.4035 -15.0054 -15.0054 -14.9479 -14.9479 -5.0564 -5.0564 -4.8588 -4.8588 -4.3429 -4.3429 -3.7213 -3.7213 -3.5297 -3.5297 3.5362 3.5362 3.9943 3.9943 4.3202 4.3202 4.6034 4.6034 4.8027 4.8027 5.3832 5.3832 9.6370 9.6370 9.8923 9.8923 10.9133 10.9133 11.3392 11.3392 k = 0.2211-0.3919-0.7450 ( 3106 PWs) bands (ev): -35.3851 -35.3851 -19.8085 -19.8085 -16.4049 -16.4049 -15.0069 -15.0069 -14.9501 -14.9501 -5.0513 -5.0513 -4.8505 -4.8505 -4.3439 -4.3439 -3.7253 -3.7253 -3.5397 -3.5397 3.5097 3.5097 3.9956 3.9956 4.3334 4.3334 4.6028 4.6028 4.7712 4.7712 5.3578 5.3578 9.6371 9.6371 9.9219 9.9219 10.9005 10.9005 11.3596 11.3596 k = 0.2275-0.4031-0.7663 ( 3104 PWs) bands (ev): -35.3848 -35.3848 -19.8072 -19.8072 -16.4063 -16.4063 -15.0083 -15.0083 -14.9522 -14.9522 -5.0464 -5.0464 -4.8427 -4.8427 -4.3446 -4.3446 -3.7289 -3.7289 -3.5494 -3.5494 3.4864 3.4864 3.9974 3.9974 4.3402 4.3402 4.6056 4.6056 4.7422 4.7422 5.3323 5.3323 9.6375 9.6375 9.9519 9.9519 10.8883 10.8883 11.3790 11.3790 k = 0.2338-0.4142-0.7876 ( 3110 PWs) bands (ev): -35.3846 -35.3846 -19.8059 -19.8059 -16.4076 -16.4076 -15.0095 -15.0095 -14.9543 -14.9543 -5.0416 -5.0416 -4.8357 -4.8357 -4.3451 -4.3451 -3.7320 -3.7320 -3.5588 -3.5588 3.4668 3.4668 3.9997 3.9997 4.3395 4.3395 4.6122 4.6122 4.7161 4.7161 5.3067 5.3067 9.6383 9.6383 9.9821 9.9821 10.8768 10.8768 11.3998 11.3998 k = 0.2401-0.4254-0.8089 ( 3108 PWs) bands (ev): -35.3844 -35.3844 -19.8047 -19.8047 -16.4088 -16.4088 -15.0105 -15.0105 -14.9564 -14.9564 -5.0369 -5.0369 -4.8294 -4.8294 -4.3454 -4.3454 -3.7348 -3.7348 -3.5679 -3.5679 3.4510 3.4510 4.0023 4.0023 4.3313 4.3313 4.6224 4.6224 4.6933 4.6933 5.2810 5.2810 9.6394 9.6394 10.0124 10.0124 10.8658 10.8658 11.4227 11.4227 k = 0.2464-0.4366-0.8302 ( 3114 PWs) bands (ev): -35.3841 -35.3841 -19.8036 -19.8036 -16.4099 -16.4099 -15.0113 -15.0113 -14.9585 -14.9585 -5.0323 -5.0323 -4.8238 -4.8238 -4.3455 -4.3455 -3.7372 -3.7372 -3.5767 -3.5767 3.4393 3.4393 4.0049 4.0049 4.3161 4.3161 4.6345 4.6345 4.6744 4.6744 5.2553 5.2553 9.6411 9.6411 10.0429 10.0429 10.8549 10.8549 11.4480 11.4480 k = 0.2527-0.4478-0.8515 ( 3114 PWs) bands (ev): -35.3839 -35.3839 -19.8026 -19.8026 -16.4109 -16.4109 -15.0120 -15.0120 -14.9605 -14.9605 -5.0278 -5.0278 -4.8189 -4.8189 -4.3454 -4.3454 -3.7393 -3.7393 -3.5852 -3.5852 3.4319 3.4319 4.0075 4.0075 4.2950 4.2950 4.6429 4.6429 4.6645 4.6645 5.2297 5.2297 9.6432 9.6432 10.0733 10.0733 10.8437 10.8437 11.4758 11.4758 k = 0.2590-0.4590-0.8728 ( 3116 PWs) bands (ev): -35.3837 -35.3837 -19.8016 -19.8016 -16.4118 -16.4118 -15.0125 -15.0125 -14.9626 -14.9626 -5.0233 -5.0233 -4.8147 -4.8147 -4.3452 -4.3452 -3.7411 -3.7411 -3.5932 -3.5932 3.4290 3.4290 4.0097 4.0097 4.2689 4.2689 4.6372 4.6372 4.6729 4.6729 5.2042 5.2042 9.6459 9.6459 10.1036 10.1036 10.8313 10.8313 11.5062 11.5062 k = 0.2654-0.4702-0.8940 ( 3114 PWs) bands (ev): -35.3836 -35.3836 -19.8008 -19.8008 -16.4127 -16.4127 -15.0128 -15.0128 -14.9646 -14.9646 -5.0189 -5.0189 -4.8112 -4.8112 -4.3448 -4.3448 -3.7426 -3.7426 -3.6009 -3.6009 3.4304 3.4304 4.0116 4.0116 4.2387 4.2387 4.6290 4.6290 4.6873 4.6873 5.1789 5.1789 9.6492 9.6492 10.1338 10.1338 10.8167 10.8167 11.5394 11.5394 k = 0.2717-0.4814-0.9153 ( 3108 PWs) bands (ev): -35.3834 -35.3834 -19.8000 -19.8000 -16.4134 -16.4134 -15.0129 -15.0129 -14.9666 -14.9666 -5.0146 -5.0146 -4.8084 -4.8084 -4.3442 -4.3442 -3.7439 -3.7439 -3.6082 -3.6082 3.4364 3.4364 4.0129 4.0129 4.2050 4.2050 4.6235 4.6235 4.7019 4.7019 5.1538 5.1538 9.6531 9.6531 10.1638 10.1638 10.7989 10.7989 11.5753 11.5753 k = 0.2780-0.4926-0.9366 ( 3104 PWs) bands (ev): -35.3832 -35.3832 -19.7993 -19.7993 -16.4141 -16.4141 -15.0128 -15.0128 -14.9686 -14.9686 -5.0104 -5.0104 -4.8062 -4.8062 -4.3436 -4.3436 -3.7449 -3.7449 -3.6151 -3.6151 3.4468 3.4468 4.0137 4.0137 4.1683 4.1683 4.6215 4.6215 4.7156 4.7156 5.1289 5.1289 9.6577 9.6577 10.1937 10.1937 10.7769 10.7769 11.6137 11.6137 k = 0.2843-0.5038-0.9579 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -19.7987 -19.7987 -16.4147 -16.4147 -15.0126 -15.0126 -14.9705 -14.9705 -5.0063 -5.0063 -4.8046 -4.8046 -4.3429 -4.3429 -3.7458 -3.7458 -3.6215 -3.6215 3.4618 3.4618 4.0137 4.0137 4.1292 4.1292 4.6231 4.6231 4.7278 4.7278 5.1042 5.1042 9.6629 9.6629 10.2233 10.2233 10.7502 10.7502 11.6526 11.6526 k = 0.2906-0.5150-0.9792 ( 3096 PWs) bands (ev): -35.3830 -35.3830 -19.7982 -19.7982 -16.4152 -16.4152 -15.0122 -15.0122 -14.9723 -14.9723 -5.0025 -5.0025 -4.8034 -4.8034 -4.3422 -4.3422 -3.7465 -3.7465 -3.6273 -3.6273 3.4811 3.4811 4.0131 4.0131 4.0880 4.0880 4.6283 4.6283 4.7383 4.7383 5.0799 5.0799 9.6685 9.6685 10.2526 10.2526 10.7184 10.7184 11.6774 11.6774 k = 0.2970-0.5262-1.0005 ( 3092 PWs) bands (ev): -35.3829 -35.3829 -19.7977 -19.7977 -16.4156 -16.4156 -15.0117 -15.0117 -14.9740 -14.9740 -4.9989 -4.9989 -4.8026 -4.8026 -4.3415 -4.3415 -3.7471 -3.7471 -3.6326 -3.6326 3.5048 3.5048 4.0113 4.0113 4.0456 4.0456 4.6369 4.6369 4.7470 4.7470 5.0558 5.0558 9.6742 9.6742 10.2817 10.2817 10.6819 10.6819 11.7020 11.7020 k = 0.3033-0.5374-1.0218 ( 3100 PWs) bands (ev): -35.3828 -35.3828 -19.7973 -19.7973 -16.4160 -16.4160 -15.0112 -15.0112 -14.9756 -14.9756 -4.9957 -4.9957 -4.8022 -4.8022 -4.3409 -4.3409 -3.7475 -3.7475 -3.6372 -3.6372 3.5326 3.5326 3.9961 3.9961 4.0148 4.0148 4.6488 4.6488 4.7538 4.7538 5.0321 5.0321 9.6794 9.6794 10.3103 10.3103 10.6416 10.6416 11.7315 11.7315 k = 0.3096-0.5486-1.0431 ( 3102 PWs) bands (ev): -35.3828 -35.3828 -19.7970 -19.7970 -16.4162 -16.4162 -15.0106 -15.0106 -14.9770 -14.9770 -4.9929 -4.9929 -4.8019 -4.8019 -4.3404 -4.3404 -3.7479 -3.7479 -3.6412 -3.6412 3.5645 3.5645 3.9524 3.9524 4.0110 4.0110 4.6637 4.6637 4.7587 4.7587 5.0088 5.0088 9.6834 9.6834 10.3385 10.3385 10.5989 10.5989 11.7660 11.7660 k = 0.3159-0.5598-1.0643 ( 3100 PWs) bands (ev): -35.3827 -35.3827 -19.7968 -19.7968 -16.4164 -16.4164 -15.0100 -15.0100 -14.9782 -14.9782 -4.9905 -4.9905 -4.8018 -4.8018 -4.3401 -4.3401 -3.7482 -3.7482 -3.6443 -3.6443 3.6001 3.6001 3.9060 3.9060 4.0091 4.0091 4.6812 4.6812 4.7619 4.7619 4.9859 4.9859 9.6850 9.6850 10.3660 10.3660 10.5559 10.5559 11.8051 11.8051 k = 0.3222-0.5710-1.0856 ( 3098 PWs) bands (ev): -35.3827 -35.3827 -19.7967 -19.7967 -16.4166 -16.4166 -15.0095 -15.0095 -14.9791 -14.9791 -4.9887 -4.9887 -4.8017 -4.8017 -4.3399 -4.3399 -3.7485 -3.7485 -3.6465 -3.6465 3.6389 3.6389 3.8591 3.8591 4.0075 4.0075 4.7011 4.7011 4.7634 4.7634 4.9634 4.9634 9.6828 9.6828 10.3919 10.3919 10.5157 10.5157 11.8483 11.8483 k = 0.3285-0.5822-1.1069 ( 3098 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0092 -15.0092 -14.9796 -14.9796 -4.9875 -4.9875 -4.8015 -4.8015 -4.3400 -4.3400 -3.7488 -3.7488 -3.6478 -3.6478 3.6795 3.6795 3.8134 3.8134 4.0063 4.0063 4.7227 4.7227 4.7635 4.7635 4.9415 4.9415 9.6751 9.6751 10.4133 10.4133 10.4836 10.4836 11.8949 11.8949 k = 0.3349-0.5934-1.1282 ( 3096 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0092 -15.0092 -14.9798 -14.9798 -4.9870 -4.9870 -4.8013 -4.8013 -4.3402 -4.3402 -3.7492 -3.7492 -3.6481 -3.6481 3.7121 3.7121 3.7786 3.7786 4.0056 4.0056 4.7446 4.7446 4.7636 4.7636 4.9203 4.9203 9.6601 9.6601 10.4178 10.4178 10.4746 10.4746 11.9443 11.9443 k = 0.3412-0.6046-1.1495 ( 3090 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0094 -15.0094 -14.9794 -14.9794 -4.9871 -4.9871 -4.8010 -4.8010 -4.3407 -4.3407 -3.7497 -3.7497 -3.6474 -3.6474 3.6956 3.6956 3.7959 3.7959 4.0054 4.0054 4.7547 4.7547 4.7752 4.7752 4.9000 4.9000 9.6361 9.6361 10.4050 10.4050 10.4911 10.4911 11.9955 11.9955 k = 0.6588-0.4732-1.0702 ( 3090 PWs) bands (ev): -35.3826 -35.3826 -19.7966 -19.7966 -16.4166 -16.4166 -15.0094 -15.0094 -14.9794 -14.9794 -4.9871 -4.9871 -4.8010 -4.8010 -4.3407 -4.3407 -3.7497 -3.7497 -3.6474 -3.6474 3.6956 3.6956 3.7959 3.7959 4.0054 4.0054 4.7547 4.7547 4.7752 4.7752 4.9000 4.9000 9.6361 9.6361 10.4050 10.4050 10.4911 10.4911 11.9955 11.9955 k = 0.6525-0.4490-1.0702 ( 3088 PWs) bands (ev): -35.3827 -35.3827 -19.7967 -19.7967 -16.4165 -16.4165 -15.0099 -15.0099 -14.9786 -14.9786 -4.9879 -4.9879 -4.8006 -4.8006 -4.3414 -4.3414 -3.7503 -3.7503 -3.6456 -3.6456 3.6516 3.6516 3.8436 3.8436 4.0059 4.0059 4.7524 4.7524 4.7981 4.7981 4.8818 4.8818 9.6021 9.6021 10.3946 10.3946 10.5151 10.5151 12.0479 12.0479 k = 0.6461-0.4249-1.0702 ( 3094 PWs) bands (ev): -35.3827 -35.3827 -19.7969 -19.7969 -16.4164 -16.4164 -15.0107 -15.0107 -14.9774 -14.9774 -4.9894 -4.9894 -4.8001 -4.8001 -4.3423 -4.3423 -3.7509 -3.7509 -3.6428 -3.6428 3.6040 3.6040 3.8975 3.8975 4.0073 4.0073 4.7481 4.7481 4.8171 4.8171 4.8701 4.8701 9.5581 9.5581 10.3927 10.3927 10.5406 10.5406 12.0966 12.0966 k = 0.6398-0.4007-1.0702 ( 3104 PWs) bands (ev): -35.3828 -35.3828 -19.7971 -19.7971 -16.4162 -16.4162 -15.0117 -15.0117 -14.9757 -14.9757 -4.9915 -4.9915 -4.7995 -4.7995 -4.3433 -4.3433 -3.7516 -3.7516 -3.6390 -3.6390 3.5558 3.5558 3.9542 3.9542 4.0098 4.0098 4.7431 4.7431 4.8184 4.8184 4.8777 4.8777 9.5050 9.5050 10.4000 10.4000 10.5663 10.5663 12.1135 12.1135 k = 0.6334-0.3765-1.0702 ( 3104 PWs) bands (ev): -35.3828 -35.3828 -19.7973 -19.7973 -16.4161 -16.4161 -15.0130 -15.0130 -14.9738 -14.9738 -4.9942 -4.9942 -4.7990 -4.7990 -4.3444 -4.3444 -3.7523 -3.7523 -3.6343 -3.6343 3.5079 3.5079 4.0047 4.0047 4.0213 4.0213 4.7379 4.7379 4.8051 4.8051 4.9011 4.9011 9.4443 9.4443 10.4155 10.4155 10.5920 10.5920 12.1104 12.1104 k = 0.6271-0.3523-1.0702 ( 3108 PWs) bands (ev): -35.3829 -35.3829 -19.7976 -19.7976 -16.4158 -16.4158 -15.0143 -15.0143 -14.9716 -14.9716 -4.9973 -4.9973 -4.7985 -4.7985 -4.3456 -4.3456 -3.7530 -3.7530 -3.6289 -3.6289 3.4607 3.4607 4.0140 4.0140 4.0761 4.0761 4.7332 4.7332 4.7881 4.7881 4.9291 4.9291 9.3776 9.3776 10.4379 10.4379 10.6175 10.6175 12.1000 12.1000 k = 0.6207-0.3281-1.0702 ( 3112 PWs) bands (ev): -35.3829 -35.3829 -19.7979 -19.7979 -16.4156 -16.4156 -15.0158 -15.0158 -14.9692 -14.9692 -5.0009 -5.0009 -4.7982 -4.7982 -4.3469 -4.3469 -3.7535 -3.7535 -3.6228 -3.6228 3.4144 3.4144 4.0191 4.0191 4.1362 4.1362 4.7292 4.7292 4.7706 4.7706 4.9585 4.9585 9.3065 9.3065 10.4655 10.4655 10.6427 10.6427 12.0859 12.0859 k = 0.6143-0.3039-1.0702 ( 3104 PWs) bands (ev): -35.3830 -35.3830 -19.7982 -19.7982 -16.4154 -16.4154 -15.0173 -15.0173 -14.9667 -14.9667 -5.0048 -5.0048 -4.7981 -4.7981 -4.3481 -4.3481 -3.7540 -3.7540 -3.6161 -3.6161 3.3692 3.3692 4.0247 4.0247 4.1958 4.1958 4.7262 4.7262 4.7542 4.7542 4.9883 4.9883 9.2324 9.2324 10.4971 10.4971 10.6677 10.6677 12.0701 12.0701 k = 0.6080-0.2798-1.0702 ( 3104 PWs) bands (ev): -35.3831 -35.3831 -19.7986 -19.7986 -16.4151 -16.4151 -15.0188 -15.0188 -14.9640 -14.9640 -5.0089 -5.0089 -4.7983 -4.7983 -4.3492 -4.3492 -3.7542 -3.7542 -3.6090 -3.6090 3.3254 3.3254 4.0311 4.0311 4.2532 4.2532 4.7215 4.7215 4.7428 4.7428 5.0180 5.0180 9.1563 9.1563 10.5314 10.5314 10.6926 10.6926 12.0540 12.0540 k = 0.6016-0.2556-1.0702 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -19.7989 -19.7989 -16.4148 -16.4148 -15.0204 -15.0204 -14.9613 -14.9613 -5.0131 -5.0131 -4.7987 -4.7987 -4.3502 -4.3502 -3.7543 -3.7543 -3.6016 -3.6016 3.2831 3.2831 4.0382 4.0382 4.3066 4.3066 4.7096 4.7096 4.7437 4.7437 5.0472 5.0472 9.0794 9.0794 10.5672 10.5672 10.7173 10.7173 12.0384 12.0384 k = 0.5953-0.2314-1.0702 ( 3102 PWs) bands (ev): -35.3832 -35.3832 -19.7993 -19.7993 -16.4146 -16.4146 -15.0219 -15.0219 -14.9586 -14.9586 -5.0175 -5.0175 -4.7994 -4.7994 -4.3512 -4.3512 -3.7542 -3.7542 -3.5940 -3.5940 3.2425 3.2425 4.0461 4.0461 4.3539 4.3539 4.6939 4.6939 4.7554 4.7554 5.0759 5.0759 9.0023 9.0023 10.6037 10.6037 10.7422 10.7422 12.0228 12.0228 k = 0.5889-0.2072-1.0702 ( 3100 PWs) bands (ev): -35.3833 -35.3833 -19.7997 -19.7997 -16.4143 -16.4143 -15.0233 -15.0233 -14.9560 -14.9560 -5.0218 -5.0218 -4.8005 -4.8005 -4.3519 -4.3519 -3.7538 -3.7538 -3.5863 -3.5863 3.2037 3.2037 4.0546 4.0546 4.3930 4.3930 4.6776 4.6776 4.7764 4.7764 5.1036 5.1036 8.9259 8.9259 10.6399 10.6399 10.7673 10.7673 11.9981 11.9981 k = 0.5826-0.1830-1.0702 ( 3108 PWs) bands (ev): -35.3834 -35.3834 -19.8001 -19.8001 -16.4141 -16.4141 -15.0248 -15.0248 -14.9533 -14.9533 -5.0262 -5.0262 -4.8018 -4.8018 -4.3526 -4.3526 -3.7533 -3.7533 -3.5787 -3.5787 3.1670 3.1670 4.0637 4.0637 4.4226 4.4226 4.6614 4.6614 4.8069 4.8069 5.1304 5.1304 8.8507 8.8507 10.6751 10.6751 10.7928 10.7928 11.9482 11.9482 k = 0.5762-0.1589-1.0702 ( 3110 PWs) bands (ev): -35.3835 -35.3835 -19.8004 -19.8004 -16.4138 -16.4138 -15.0261 -15.0261 -14.9508 -14.9508 -5.0304 -5.0304 -4.8033 -4.8033 -4.3531 -4.3531 -3.7526 -3.7526 -3.5712 -3.5712 3.1324 3.1324 4.0733 4.0733 4.4430 4.4430 4.6455 4.6455 4.8459 4.8459 5.1559 5.1559 8.7774 8.7774 10.7085 10.7085 10.8190 10.8190 11.8957 11.8957 k = 0.5699-0.1347-1.0702 ( 3104 PWs) bands (ev): -35.3835 -35.3835 -19.8008 -19.8008 -16.4136 -16.4136 -15.0274 -15.0274 -14.9483 -14.9483 -5.0344 -5.0344 -4.8051 -4.8051 -4.3535 -4.3535 -3.7518 -3.7518 -3.5639 -3.5639 3.1001 3.1001 4.0832 4.0832 4.4557 4.4557 4.6302 4.6302 4.8914 4.8914 5.1802 5.1802 8.7066 8.7066 10.7396 10.7396 10.8459 10.8459 11.8456 11.8456 k = 0.5635-0.1105-1.0702 ( 3104 PWs) bands (ev): -35.3836 -35.3836 -19.8011 -19.8011 -16.4133 -16.4133 -15.0286 -15.0286 -14.9460 -14.9460 -5.0382 -5.0382 -4.8070 -4.8070 -4.3537 -4.3537 -3.7509 -3.7509 -3.5569 -3.5569 3.0702 3.0702 4.0934 4.0934 4.4627 4.4627 4.6154 4.6154 4.9407 4.9407 5.2031 5.2031 8.6388 8.6388 10.7679 10.7679 10.8737 10.8737 11.7989 11.7989 k = 0.5572-0.0863-1.0702 ( 3102 PWs) bands (ev): -35.3837 -35.3837 -19.8015 -19.8015 -16.4131 -16.4131 -15.0297 -15.0297 -14.9438 -14.9438 -5.0418 -5.0418 -4.8089 -4.8089 -4.3539 -4.3539 -3.7498 -3.7498 -3.5503 -3.5503 3.0427 3.0427 4.1036 4.1036 4.4657 4.4657 4.6013 4.6013 4.9912 4.9912 5.2246 5.2246 8.5746 8.5746 10.7928 10.7928 10.9024 10.9024 11.7565 11.7565 k = 0.5508-0.0621-1.0702 ( 3106 PWs) bands (ev): -35.3837 -35.3837 -19.8018 -19.8018 -16.4129 -16.4129 -15.0307 -15.0307 -14.9418 -14.9418 -5.0451 -5.0451 -4.8109 -4.8109 -4.3539 -4.3539 -3.7488 -3.7488 -3.5442 -3.5442 3.0179 3.0179 4.1137 4.1137 4.4662 4.4662 4.5881 4.5881 5.0409 5.0409 5.2447 5.2447 8.5146 8.5146 10.8142 10.8142 10.9320 10.9320 11.7186 11.7186 k = 0.5445-0.0379-1.0702 ( 3104 PWs) bands (ev): -35.3838 -35.3838 -19.8020 -19.8020 -16.4127 -16.4127 -15.0316 -15.0316 -14.9400 -14.9400 -5.0481 -5.0481 -4.8129 -4.8129 -4.3539 -4.3539 -3.7477 -3.7477 -3.5387 -3.5387 2.9958 2.9958 4.1235 4.1235 4.4651 4.4651 4.5758 4.5758 5.0879 5.0879 5.2634 5.2634 8.4595 8.4595 10.8318 10.8318 10.9625 10.9625 11.6858 11.6858 k = 0.5381-0.0138-1.0702 ( 3102 PWs) bands (ev): -35.3838 -35.3838 -19.8023 -19.8023 -16.4126 -16.4126 -15.0324 -15.0324 -14.9384 -14.9384 -5.0507 -5.0507 -4.8147 -4.8147 -4.3539 -4.3539 -3.7467 -3.7467 -3.5337 -3.5337 2.9765 2.9765 4.1327 4.1327 4.4631 4.4631 4.5647 4.5647 5.1305 5.1305 5.2810 5.2810 8.4100 8.4100 10.8457 10.8457 10.9936 10.9936 11.6581 11.6581 k = 0.5318 0.0104-1.0702 ( 3102 PWs) bands (ev): -35.3839 -35.3839 -19.8025 -19.8025 -16.4125 -16.4125 -15.0331 -15.0331 -14.9370 -14.9370 -5.0530 -5.0530 -4.8163 -4.8163 -4.3538 -4.3538 -3.7458 -3.7458 -3.5295 -3.5295 2.9600 2.9600 4.1411 4.1411 4.4608 4.4608 4.5548 4.5548 5.1673 5.1673 5.2974 5.2974 8.3666 8.3666 10.8561 10.8561 11.0245 11.0245 11.6354 11.6354 k = 0.5254 0.0346-1.0702 ( 3100 PWs) bands (ev): -35.3839 -35.3839 -19.8027 -19.8027 -16.4124 -16.4124 -15.0336 -15.0336 -14.9358 -14.9358 -5.0548 -5.0548 -4.8178 -4.8178 -4.3538 -4.3538 -3.7449 -3.7449 -3.5259 -3.5259 2.9464 2.9464 4.1485 4.1485 4.4585 4.4585 4.5464 4.5464 5.1973 5.1973 5.3126 5.3126 8.3300 8.3300 10.8635 10.8635 11.0542 11.0542 11.6176 11.6176 k = 0.5191 0.0588-1.0702 ( 3104 PWs) bands (ev): -35.3840 -35.3840 -19.8028 -19.8028 -16.4123 -16.4123 -15.0340 -15.0340 -14.9349 -14.9349 -5.0563 -5.0563 -4.8189 -4.8189 -4.3537 -4.3537 -3.7443 -3.7443 -3.5231 -3.5231 2.9358 2.9358 4.1546 4.1546 4.4564 4.4564 4.5397 4.5397 5.2200 5.2200 5.3261 5.3261 8.3008 8.3008 10.8684 10.8684 11.0812 11.0812 11.6043 11.6043 k = 0.5127 0.0830-1.0702 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8029 -19.8029 -16.4122 -16.4122 -15.0344 -15.0344 -14.9343 -14.9343 -5.0574 -5.0574 -4.8198 -4.8198 -4.3536 -4.3536 -3.7438 -3.7438 -3.5210 -3.5210 2.9282 2.9282 4.1592 4.1592 4.4547 4.4547 4.5347 4.5347 5.2355 5.2355 5.3370 5.3370 8.2795 8.2795 10.8713 10.8713 11.1032 11.1032 11.5951 11.5951 k = 0.5064 0.1072-1.0702 ( 3094 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4122 -16.4122 -15.0345 -15.0345 -14.9339 -14.9339 -5.0580 -5.0580 -4.8203 -4.8203 -4.3536 -4.3536 -3.7435 -3.7435 -3.5198 -3.5198 2.9236 2.9236 4.1620 4.1620 4.4537 4.4537 4.5317 4.5317 5.2445 5.2445 5.3442 5.3442 8.2666 8.2666 10.8729 10.8729 11.1178 11.1178 11.5898 11.5898 k = 0.5000 0.1313-1.0702 ( 3100 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4122 -16.4122 -15.0346 -15.0346 -14.9337 -14.9337 -5.0582 -5.0582 -4.8205 -4.8205 -4.3536 -4.3536 -3.7434 -3.7434 -3.5194 -3.5194 2.9221 2.9221 4.1630 4.1630 4.4533 4.4533 4.5307 4.5307 5.2474 5.2474 5.3467 5.3467 8.2623 8.2623 10.8734 10.8734 11.1230 11.1230 11.5881 11.5881 k = 0.5000 0.1313-1.0702 ( 3100 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4122 -16.4122 -15.0346 -15.0346 -14.9337 -14.9337 -5.0582 -5.0582 -4.8205 -4.8205 -4.3536 -4.3536 -3.7434 -3.7434 -3.5194 -3.5194 2.9221 2.9221 4.1630 4.1630 4.4533 4.4533 4.5307 4.5307 5.2474 5.2474 5.3467 5.3467 8.2623 8.2623 10.8734 10.8734 11.1230 11.1230 11.5881 11.5881 k = 0.5199 0.1366-1.0602 ( 3100 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0346 -15.0346 -14.9337 -14.9337 -5.0592 -5.0592 -4.8192 -4.8192 -4.3537 -4.3537 -3.7434 -3.7434 -3.5195 -3.5195 2.9231 2.9231 4.1612 4.1612 4.4546 4.4546 4.5310 4.5310 5.2469 5.2469 5.3460 5.3460 8.2636 8.2636 10.8737 10.8737 11.1229 11.1229 11.5677 11.5677 k = 0.5397 0.1418-1.0503 ( 3097 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0346 -15.0346 -14.9337 -14.9337 -5.0619 -5.0619 -4.8155 -4.8155 -4.3542 -4.3542 -3.7437 -3.7437 -3.5199 -3.5199 2.9261 2.9261 4.1559 4.1559 4.4581 4.4581 4.5319 4.5319 5.2454 5.2454 5.3440 5.3440 8.2676 8.2676 10.8747 10.8747 11.1227 11.1227 11.5240 11.5240 k = 0.5596 0.1470-1.0404 ( 3099 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.0663 -5.0663 -4.8095 -4.8095 -4.3550 -4.3550 -3.7441 -3.7441 -3.5204 -3.5204 2.9311 2.9311 4.1475 4.1475 4.4637 4.4637 4.5333 4.5333 5.2428 5.2428 5.3408 5.3408 8.2742 8.2742 10.8763 10.8763 11.1223 11.1223 11.4725 11.4725 k = 0.5794 0.1522-1.0305 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4121 -16.4121 -15.0344 -15.0344 -14.9337 -14.9337 -5.0721 -5.0721 -4.8016 -4.8016 -4.3562 -4.3562 -3.7447 -3.7447 -3.5212 -3.5212 2.9380 2.9380 4.1363 4.1363 4.4709 4.4709 4.5354 4.5354 5.2392 5.2392 5.3364 5.3364 8.2834 8.2834 10.8784 10.8784 11.1218 11.1218 11.4177 11.4177 k = 0.5993 0.1574-1.0206 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0344 -15.0344 -14.9337 -14.9337 -5.0789 -5.0789 -4.7921 -4.7921 -4.3576 -4.3576 -3.7455 -3.7455 -3.5222 -3.5222 2.9469 2.9469 4.1228 4.1228 4.4793 4.4793 4.5381 4.5381 5.2346 5.2346 5.3310 5.3310 8.2950 8.2950 10.8809 10.8809 11.1212 11.1212 11.3613 11.3613 k = 0.6191 0.1626-1.0107 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8032 -19.8032 -16.4120 -16.4120 -15.0342 -15.0342 -14.9337 -14.9337 -5.0864 -5.0864 -4.7812 -4.7812 -4.3594 -4.3594 -3.7463 -3.7463 -3.5234 -3.5234 2.9575 2.9575 4.1073 4.1073 4.4885 4.4885 4.5413 4.5413 5.2290 5.2290 5.3248 5.3248 8.3090 8.3090 10.8837 10.8837 11.1204 11.1204 11.3041 11.3041 k = 0.6390 0.1679-1.0008 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8032 -19.8032 -16.4119 -16.4119 -15.0341 -15.0341 -14.9337 -14.9337 -5.0944 -5.0944 -4.7695 -4.7695 -4.3615 -4.3615 -3.7473 -3.7473 -3.5247 -3.5247 2.9699 2.9699 4.0905 4.0905 4.4980 4.4980 4.5452 4.5452 5.2223 5.2223 5.3178 5.3178 8.3252 8.3252 10.8865 10.8865 11.1194 11.1194 11.2466 11.2466 k = 0.6588 0.1731-0.9908 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8033 -19.8033 -16.4118 -16.4118 -15.0340 -15.0340 -14.9337 -14.9337 -5.1026 -5.1026 -4.7570 -4.7570 -4.3638 -4.3638 -3.7484 -3.7484 -3.5262 -3.5262 2.9838 2.9838 4.0725 4.0725 4.5076 4.5076 4.5497 4.5497 5.2147 5.2147 5.3103 5.3103 8.3436 8.3436 10.8892 10.8892 11.1181 11.1181 11.1894 11.1894 k = 0.6588 0.1731-0.9908 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8033 -19.8033 -16.4118 -16.4118 -15.0340 -15.0340 -14.9337 -14.9337 -5.1026 -5.1026 -4.7570 -4.7570 -4.3638 -4.3638 -3.7484 -3.7484 -3.5262 -3.5262 2.9838 2.9838 4.0725 4.0725 4.5076 4.5076 4.5497 4.5497 5.2147 5.2147 5.3103 5.3103 8.3436 8.3436 10.8892 10.8892 11.1181 11.1181 11.1894 11.1894 k = 0.6551 0.1721-0.9660 ( 3103 PWs) bands (ev): -35.3841 -35.3841 -19.8036 -19.8036 -16.4115 -16.4115 -15.0333 -15.0333 -14.9336 -14.9336 -5.0987 -5.0987 -4.7660 -4.7660 -4.3628 -4.3628 -3.7473 -3.7473 -3.5228 -3.5228 2.9931 2.9931 4.0639 4.0639 4.5018 4.5018 4.5472 4.5472 5.2281 5.2281 5.3217 5.3217 8.3394 8.3394 10.8886 10.8886 11.1046 11.1046 11.1839 11.1839 k = 0.6514 0.1711-0.9411 ( 3107 PWs) bands (ev): -35.3842 -35.3842 -19.8041 -19.8041 -16.4110 -16.4110 -15.0323 -15.0323 -14.9335 -14.9335 -5.0944 -5.0944 -4.7768 -4.7768 -4.3612 -4.3612 -3.7456 -3.7456 -3.5192 -3.5192 3.0064 3.0064 4.0532 4.0532 4.4975 4.4975 4.5454 4.5454 5.2404 5.2404 5.3344 5.3344 8.3380 8.3380 10.8813 10.8813 11.0877 11.0877 11.1813 11.1813 k = 0.6477 0.1702-0.9162 ( 3109 PWs) bands (ev): -35.3843 -35.3843 -19.8046 -19.8046 -16.4103 -16.4103 -15.0311 -15.0311 -14.9333 -14.9333 -5.0896 -5.0896 -4.7895 -4.7895 -4.3589 -4.3589 -3.7433 -3.7433 -3.5154 -3.5154 3.0234 3.0234 4.0404 4.0404 4.4947 4.4947 4.5442 4.5442 5.2518 5.2518 5.3483 5.3483 8.3393 8.3393 10.8676 10.8676 11.0676 11.0676 11.1810 11.1810 k = 0.6440 0.1692-0.8913 ( 3109 PWs) bands (ev): -35.3845 -35.3845 -19.8053 -19.8053 -16.4095 -16.4095 -15.0296 -15.0296 -14.9331 -14.9331 -5.0844 -5.0844 -4.8038 -4.8038 -4.3561 -4.3561 -3.7404 -3.7404 -3.5115 -3.5115 3.0440 3.0440 4.0260 4.0260 4.4935 4.4935 4.5435 4.5435 5.2623 5.2623 5.3635 5.3635 8.3434 8.3434 10.8480 10.8480 11.0444 11.0444 11.1813 11.1813 k = 0.6404 0.1682-0.8664 ( 3109 PWs) bands (ev): -35.3846 -35.3846 -19.8061 -19.8061 -16.4087 -16.4087 -15.0279 -15.0279 -14.9329 -14.9329 -5.0789 -5.0789 -4.8197 -4.8197 -4.3528 -4.3528 -3.7369 -3.7369 -3.5076 -3.5076 3.0679 3.0679 4.0103 4.0103 4.4935 4.4935 4.5432 4.5432 5.2722 5.2722 5.3798 5.3798 8.3502 8.3502 10.8236 10.8236 11.0184 11.0184 11.1805 11.1805 k = 0.6367 0.1672-0.8415 ( 3107 PWs) bands (ev): -35.3848 -35.3848 -19.8070 -19.8070 -16.4076 -16.4076 -15.0259 -15.0259 -14.9326 -14.9326 -5.0732 -5.0732 -4.8367 -4.8367 -4.3491 -4.3491 -3.7327 -3.7327 -3.5036 -3.5036 3.0949 3.0949 3.9937 3.9937 4.4947 4.4947 4.5433 4.5433 5.2816 5.2816 5.3971 5.3971 8.3598 8.3598 10.7955 10.7955 10.9899 10.9899 11.1769 11.1769 k = 0.6330 0.1663-0.8166 ( 3109 PWs) bands (ev): -35.3850 -35.3850 -19.8080 -19.8080 -16.4065 -16.4065 -15.0238 -15.0238 -14.9323 -14.9323 -5.0676 -5.0676 -4.8546 -4.8546 -4.3450 -4.3450 -3.7279 -3.7279 -3.4995 -3.4995 3.1246 3.1246 3.9765 3.9765 4.4970 4.4970 4.5437 4.5437 5.2909 5.2909 5.4152 5.4152 8.3721 8.3721 10.7645 10.7645 10.9591 10.9591 11.1691 11.1691 k = 0.6293 0.1653-0.7917 ( 3105 PWs) bands (ev): -35.3853 -35.3853 -19.8092 -19.8092 -16.4053 -16.4053 -15.0214 -15.0214 -14.9319 -14.9319 -5.0624 -5.0624 -4.8728 -4.8728 -4.3408 -4.3408 -3.7226 -3.7226 -3.4954 -3.4954 3.1569 3.1569 3.9590 3.9590 4.5001 4.5001 4.5443 4.5443 5.3002 5.3002 5.4339 5.4339 8.3870 8.3870 10.7314 10.7314 10.9261 10.9261 11.1562 11.1562 k = 0.6256 0.1643-0.7669 ( 3105 PWs) bands (ev): -35.3855 -35.3855 -19.8104 -19.8104 -16.4039 -16.4039 -15.0189 -15.0189 -14.9314 -14.9314 -5.0583 -5.0583 -4.8907 -4.8907 -4.3363 -4.3363 -3.7166 -3.7166 -3.4912 -3.4912 3.1912 3.1912 3.9417 3.9417 4.5041 4.5041 4.5451 4.5451 5.3097 5.3097 5.4531 5.4531 8.4046 8.4046 10.6967 10.6967 10.8910 10.8910 11.1378 11.1378 k = 0.6219 0.1634-0.7420 ( 3105 PWs) bands (ev): -35.3858 -35.3858 -19.8117 -19.8117 -16.4025 -16.4025 -15.0163 -15.0163 -14.9308 -14.9308 -5.0562 -5.0562 -4.9070 -4.9070 -4.3318 -4.3318 -3.7101 -3.7101 -3.4871 -3.4871 3.2273 3.2273 3.9247 3.9247 4.5090 4.5090 4.5463 4.5463 5.3195 5.3195 5.4725 5.4725 8.4246 8.4246 10.6609 10.6609 10.8539 10.8539 11.1138 11.1138 k = 0.6182 0.1624-0.7171 ( 3105 PWs) bands (ev): -35.3861 -35.3861 -19.8130 -19.8130 -16.4010 -16.4010 -15.0135 -15.0135 -14.9302 -14.9302 -5.0575 -5.0575 -4.9202 -4.9202 -4.3272 -4.3272 -3.7032 -3.7032 -3.4829 -3.4829 3.2647 3.2647 3.9083 3.9083 4.5146 4.5146 4.5481 4.5481 5.3298 5.3298 5.4920 5.4920 8.4471 8.4471 10.6245 10.6245 10.8149 10.8149 11.0848 11.0848 k = 0.6145 0.1614-0.6922 ( 3098 PWs) bands (ev): -35.3863 -35.3863 -19.8145 -19.8145 -16.3994 -16.3994 -15.0106 -15.0106 -14.9294 -14.9294 -5.0638 -5.0638 -4.9286 -4.9286 -4.3227 -4.3227 -3.6958 -3.6958 -3.4787 -3.4787 3.3029 3.3029 3.8926 3.8926 4.5204 4.5204 4.5513 4.5513 5.3407 5.3407 5.5112 5.5112 8.4719 8.4719 10.5878 10.5878 10.7741 10.7741 11.0513 11.0513 k = 0.6108 0.1605-0.6673 ( 3097 PWs) bands (ev): -35.3867 -35.3867 -19.8160 -19.8160 -16.3978 -16.3978 -15.0077 -15.0077 -14.9284 -14.9284 -5.0759 -5.0759 -4.9315 -4.9315 -4.3183 -4.3183 -3.6879 -3.6879 -3.4745 -3.4745 3.3416 3.3416 3.8778 3.8778 4.5253 4.5253 4.5573 4.5573 5.3523 5.3523 5.5298 5.5298 8.4990 8.4990 10.5510 10.5510 10.7316 10.7316 11.0144 11.0144 k = 0.6071 0.1595-0.6424 ( 3111 PWs) bands (ev): -35.3870 -35.3870 -19.8176 -19.8176 -16.3961 -16.3961 -15.0047 -15.0047 -14.9274 -14.9274 -5.0932 -5.0932 -4.9291 -4.9291 -4.3141 -4.3141 -3.6797 -3.6797 -3.4704 -3.4704 3.3802 3.3802 3.8639 3.8639 4.5282 4.5282 4.5675 4.5675 5.3648 5.3648 5.5475 5.5475 8.5283 8.5283 10.5145 10.5145 10.6874 10.6874 10.9750 10.9750 k = 0.6034 0.1585-0.6175 ( 3111 PWs) bands (ev): -35.3874 -35.3874 -19.8192 -19.8192 -16.3943 -16.3943 -15.0017 -15.0017 -14.9261 -14.9261 -5.1143 -5.1143 -4.9228 -4.9228 -4.3100 -4.3100 -3.6713 -3.6713 -3.4662 -3.4662 3.4182 3.4182 3.8510 3.8510 4.5290 4.5290 4.5826 4.5826 5.3782 5.3782 5.5639 5.5639 8.5596 8.5596 10.4785 10.4785 10.6417 10.6417 10.9341 10.9341 k = 0.5997 0.1575-0.5926 ( 3111 PWs) bands (ev): -35.3877 -35.3877 -19.8209 -19.8209 -16.3925 -16.3925 -14.9988 -14.9988 -14.9247 -14.9247 -5.1381 -5.1381 -4.9136 -4.9136 -4.3061 -4.3061 -3.6625 -3.6625 -3.4621 -3.4621 3.4552 3.4552 3.8393 3.8393 4.5283 4.5283 4.6023 4.6023 5.3925 5.3925 5.5785 5.5785 8.5928 8.5928 10.4434 10.4434 10.5945 10.5945 10.8926 10.8926 k = 0.5960 0.1566-0.5678 ( 3109 PWs) bands (ev): -35.3881 -35.3881 -19.8226 -19.8226 -16.3907 -16.3907 -14.9959 -14.9959 -14.9231 -14.9231 -5.1636 -5.1636 -4.9024 -4.9024 -4.3024 -4.3024 -3.6536 -3.6536 -3.4581 -3.4581 3.4908 3.4908 3.8287 3.8287 4.5264 4.5264 4.6266 4.6266 5.4078 5.4078 5.5911 5.5911 8.6279 8.6279 10.4095 10.4095 10.5460 10.5460 10.8511 10.8511 k = 0.5923 0.1556-0.5429 ( 3108 PWs) bands (ev): -35.3884 -35.3884 -19.8244 -19.8244 -16.3888 -16.3888 -14.9932 -14.9932 -14.9213 -14.9213 -5.1902 -5.1902 -4.8899 -4.8899 -4.2991 -4.2991 -3.6445 -3.6445 -3.4541 -3.4541 3.5245 3.5245 3.8194 3.8194 4.5236 4.5236 4.6557 4.6557 5.4240 5.4240 5.6012 5.6012 8.6646 8.6646 10.3771 10.3771 10.4962 10.4962 10.8103 10.8103 k = 0.5886 0.1546-0.5180 ( 3110 PWs) bands (ev): -35.3888 -35.3888 -19.8262 -19.8262 -16.3870 -16.3870 -14.9905 -14.9905 -14.9192 -14.9192 -5.2174 -5.2174 -4.8762 -4.8762 -4.2960 -4.2960 -3.6354 -3.6354 -3.4503 -3.4503 3.5560 3.5560 3.8116 3.8116 4.5200 4.5200 4.6896 4.6896 5.4412 5.4412 5.6085 5.6085 8.7028 8.7028 10.3463 10.3463 10.4456 10.4456 10.7706 10.7706 k = 0.5849 0.1537-0.4931 ( 3109 PWs) bands (ev): -35.3892 -35.3892 -19.8279 -19.8279 -16.3851 -16.3851 -14.9880 -14.9880 -14.9170 -14.9170 -5.2448 -5.2448 -4.8618 -4.8618 -4.2932 -4.2932 -3.6262 -3.6262 -3.4465 -3.4465 3.5848 3.5848 3.8056 3.8056 4.5158 4.5158 4.7284 4.7284 5.4592 5.4592 5.6128 5.6128 8.7424 8.7424 10.3172 10.3172 10.3944 10.3944 10.7324 10.7324 k = 0.5813 0.1527-0.4682 ( 3109 PWs) bands (ev): -35.3895 -35.3895 -19.8297 -19.8297 -16.3833 -16.3833 -14.9857 -14.9857 -14.9145 -14.9145 -5.2723 -5.2723 -4.8467 -4.8467 -4.2907 -4.2907 -3.6171 -3.6171 -3.4428 -3.4428 3.6104 3.6104 3.8019 3.8019 4.5109 4.5109 4.7719 4.7719 5.4779 5.4779 5.6137 5.6137 8.7831 8.7831 10.2893 10.2893 10.3435 10.3435 10.6961 10.6961 k = 0.5776 0.1517-0.4433 ( 3114 PWs) bands (ev): -35.3899 -35.3899 -19.8315 -19.8315 -16.3815 -16.3815 -14.9836 -14.9836 -14.9119 -14.9119 -5.2997 -5.2997 -4.8312 -4.8312 -4.2885 -4.2885 -3.6080 -3.6080 -3.4392 -3.4392 3.6319 3.6319 3.8017 3.8017 4.5054 4.5054 4.8198 4.8198 5.4968 5.4968 5.6115 5.6115 8.8248 8.8248 10.2599 10.2599 10.2959 10.2959 10.6619 10.6619 k = 0.5739 0.1508-0.4184 ( 3120 PWs) bands (ev): -35.3903 -35.3903 -19.8333 -19.8333 -16.3797 -16.3797 -14.9817 -14.9817 -14.9090 -14.9090 -5.3267 -5.3267 -4.8154 -4.8154 -4.2867 -4.2867 -3.5991 -3.5991 -3.4357 -3.4357 3.6483 3.6483 3.8060 3.8060 4.4995 4.4995 4.8719 4.8719 5.5154 5.5154 5.6064 5.6064 8.8673 8.8673 10.2208 10.2208 10.2598 10.2598 10.6304 10.6304 k = 0.5702 0.1498-0.3935 ( 3126 PWs) bands (ev): -35.3907 -35.3907 -19.8350 -19.8350 -16.3779 -16.3779 -14.9799 -14.9799 -14.9060 -14.9060 -5.3532 -5.3532 -4.7993 -4.7993 -4.2853 -4.2853 -3.5903 -3.5903 -3.4324 -3.4324 3.6591 3.6591 3.8158 3.8158 4.4931 4.4931 4.9276 4.9276 5.5316 5.5316 5.6003 5.6003 8.9104 8.9104 10.1718 10.1718 10.2351 10.2351 10.6020 10.6020 k = 0.5665 0.1488-0.3687 ( 3126 PWs) bands (ev): -35.3910 -35.3910 -19.8367 -19.8367 -16.3762 -16.3762 -14.9783 -14.9783 -14.9029 -14.9029 -5.3791 -5.3791 -4.7831 -4.7831 -4.2841 -4.2841 -3.5817 -3.5817 -3.4292 -3.4292 3.6642 3.6642 3.8313 3.8313 4.4864 4.4864 4.9863 4.9863 5.5399 5.5399 5.5986 5.5986 8.9537 8.9537 10.1200 10.1200 10.2144 10.2144 10.5775 10.5775 k = 0.5628 0.1478-0.3438 ( 3120 PWs) bands (ev): -35.3913 -35.3913 -19.8384 -19.8384 -16.3745 -16.3745 -14.9769 -14.9769 -14.8997 -14.8997 -5.4042 -5.4042 -4.7668 -4.7668 -4.2834 -4.2834 -3.5734 -3.5734 -3.4262 -3.4262 3.6648 3.6648 3.8519 3.8519 4.4794 4.4794 5.0474 5.0474 5.5335 5.5335 5.6079 5.6079 8.9972 8.9972 10.0677 10.0677 10.1946 10.1946 10.5577 10.5577 k = 0.5591 0.1469-0.3189 ( 3116 PWs) bands (ev): -35.3917 -35.3917 -19.8400 -19.8400 -16.3729 -16.3729 -14.9757 -14.9757 -14.8964 -14.8964 -5.4284 -5.4284 -4.7507 -4.7507 -4.2830 -4.2830 -3.5654 -3.5654 -3.4234 -3.4234 3.6622 3.6622 3.8765 3.8765 4.4723 4.4723 5.1101 5.1101 5.5156 5.5156 5.6253 5.6253 9.0406 9.0406 10.0159 10.0159 10.1740 10.1740 10.5432 10.5432 k = 0.5554 0.1459-0.2940 ( 3120 PWs) bands (ev): -35.3920 -35.3920 -19.8416 -19.8416 -16.3713 -16.3713 -14.9746 -14.9746 -14.8931 -14.8931 -5.4517 -5.4517 -4.7347 -4.7347 -4.2829 -4.2829 -3.5578 -3.5578 -3.4207 -3.4207 3.6574 3.6574 3.9042 3.9042 4.4651 4.4651 5.1733 5.1733 5.4913 5.4913 5.6459 5.6459 9.0836 9.0836 9.9650 9.9650 10.1515 10.1515 10.5344 10.5344 k = 0.5517 0.1449-0.2691 ( 3126 PWs) bands (ev): -35.3923 -35.3923 -19.8431 -19.8431 -16.3698 -16.3698 -14.9737 -14.9737 -14.8898 -14.8898 -5.4740 -5.4740 -4.7189 -4.7189 -4.2832 -4.2832 -3.5505 -3.5505 -3.4182 -3.4182 3.6513 3.6513 3.9346 3.9346 4.4579 4.4579 5.2352 5.2352 5.4639 5.4639 5.6677 5.6677 9.1260 9.1260 9.9154 9.9154 10.1265 10.1265 10.5308 10.5308 k = 0.5480 0.1440-0.2442 ( 3126 PWs) bands (ev): -35.3926 -35.3926 -19.8445 -19.8445 -16.3684 -16.3684 -14.9728 -14.9728 -14.8865 -14.8865 -5.4951 -5.4951 -4.7035 -4.7035 -4.2838 -4.2838 -3.5436 -3.5436 -3.4158 -3.4158 3.6445 3.6445 3.9672 3.9672 4.4507 4.4507 5.2915 5.2915 5.4380 5.4380 5.6898 5.6898 9.1677 9.1677 9.8673 9.8673 10.0987 10.0987 10.5311 10.5311 k = 0.5443 0.1430-0.2193 ( 3124 PWs) bands (ev): -35.3929 -35.3929 -19.8458 -19.8458 -16.3671 -16.3671 -14.9721 -14.9721 -14.8834 -14.8834 -5.5149 -5.5149 -4.6885 -4.6885 -4.2847 -4.2847 -3.5371 -3.5371 -3.4137 -3.4137 3.6373 3.6373 4.0018 4.0018 4.4438 4.4438 5.3251 5.3251 5.4306 5.4306 5.7119 5.7119 9.2085 9.2085 9.8213 9.8213 10.0687 10.0687 10.5325 10.5325 k = 0.5406 0.1420-0.1944 ( 3122 PWs) bands (ev): -35.3932 -35.3932 -19.8471 -19.8471 -16.3659 -16.3659 -14.9715 -14.9715 -14.8804 -14.8804 -5.5334 -5.5334 -4.6741 -4.6741 -4.2859 -4.2859 -3.5310 -3.5310 -3.4117 -3.4117 3.6301 3.6301 4.0382 4.0382 4.4371 4.4371 5.3134 5.3134 5.4641 5.4641 5.7335 5.7335 9.2482 9.2482 9.7775 9.7775 10.0370 10.0370 10.5316 10.5316 k = 0.5369 0.1410-0.1696 ( 3121 PWs) bands (ev): -35.3934 -35.3934 -19.8483 -19.8483 -16.3647 -16.3647 -14.9709 -14.9709 -14.8775 -14.8775 -5.5506 -5.5506 -4.6603 -4.6603 -4.2873 -4.2873 -3.5255 -3.5255 -3.4099 -3.4099 3.6230 3.6230 4.0760 4.0760 4.4307 4.4307 5.2785 5.2785 5.5162 5.5162 5.7545 5.7545 9.2868 9.2868 9.7363 9.7363 10.0044 10.0044 10.5246 10.5246 k = 0.5332 0.1401-0.1447 ( 3121 PWs) bands (ev): -35.3936 -35.3936 -19.8494 -19.8494 -16.3637 -16.3637 -14.9704 -14.9704 -14.8748 -14.8748 -5.5663 -5.5663 -4.6473 -4.6473 -4.2889 -4.2889 -3.5204 -3.5204 -3.4083 -3.4083 3.6162 3.6162 4.1151 4.1151 4.4248 4.4248 5.2364 5.2364 5.5706 5.5706 5.7747 5.7747 9.3238 9.3238 9.6979 9.6979 9.9720 9.9720 10.5088 10.5088 k = 0.5295 0.1391-0.1198 ( 3123 PWs) bands (ev): -35.3938 -35.3938 -19.8504 -19.8504 -16.3627 -16.3627 -14.9700 -14.9700 -14.8723 -14.8723 -5.5806 -5.5806 -4.6352 -4.6352 -4.2906 -4.2906 -3.5158 -3.5158 -3.4068 -3.4068 3.6098 3.6098 4.1551 4.1551 4.4193 4.4193 5.1913 5.1913 5.6229 5.6229 5.7939 5.7939 9.3592 9.3592 9.6627 9.6627 9.9405 9.9405 10.4837 10.4837 k = 0.5259 0.1381-0.0949 ( 3121 PWs) bands (ev): -35.3940 -35.3940 -19.8513 -19.8513 -16.3619 -16.3619 -14.9697 -14.9697 -14.8701 -14.8701 -5.5932 -5.5932 -4.6241 -4.6241 -4.2924 -4.2924 -3.5117 -3.5117 -3.4055 -3.4055 3.6040 3.6040 4.1955 4.1955 4.4145 4.4145 5.1451 5.1451 5.6711 5.6711 5.8121 5.8121 9.3927 9.3927 9.6310 9.6310 9.9109 9.9109 10.4512 10.4512 k = 0.5222 0.1372-0.0700 ( 3119 PWs) bands (ev): -35.3942 -35.3942 -19.8520 -19.8520 -16.3611 -16.3611 -14.9694 -14.9694 -14.8681 -14.8681 -5.6043 -5.6043 -4.6142 -4.6142 -4.2942 -4.2942 -3.5081 -3.5081 -3.4044 -3.4044 3.5988 3.5988 4.2356 4.2356 4.4103 4.4103 5.0990 5.0990 5.7140 5.7140 5.8293 5.8293 9.4236 9.4236 9.6029 9.6029 9.8840 9.8840 10.4145 10.4145 k = 0.5185 0.1362-0.0451 ( 3115 PWs) bands (ev): -35.3943 -35.3943 -19.8527 -19.8527 -16.3605 -16.3605 -14.9692 -14.9692 -14.8664 -14.8664 -5.6137 -5.6137 -4.6055 -4.6055 -4.2959 -4.2959 -3.5051 -3.5051 -3.4035 -3.4035 3.5943 3.5943 4.2745 4.2745 4.4069 4.4069 5.0544 5.0544 5.7504 5.7504 5.8457 5.8457 9.4516 9.4516 9.5787 9.5787 9.8606 9.8606 10.3769 10.3769 k = 0.5148 0.1352-0.0202 ( 3119 PWs) bands (ev): -35.3944 -35.3944 -19.8532 -19.8532 -16.3600 -16.3600 -14.9690 -14.9690 -14.8650 -14.8650 -5.6215 -5.6215 -4.5981 -4.5981 -4.2975 -4.2975 -3.5026 -3.5026 -3.4028 -3.4028 3.5905 3.5905 4.3106 4.3106 4.4045 4.4045 5.0126 5.0126 5.7795 5.7795 5.8610 5.8610 9.4758 9.4758 9.5586 9.5586 9.8412 9.8412 10.3414 10.3414 k = 0.5111 0.1343 0.0047 ( 3118 PWs) bands (ev): -35.3945 -35.3945 -19.8537 -19.8537 -16.3596 -16.3596 -14.9688 -14.9688 -14.8639 -14.8639 -5.6276 -5.6276 -4.5923 -4.5923 -4.2988 -4.2988 -3.5007 -3.5007 -3.4022 -3.4022 3.5876 3.5876 4.3418 4.3418 4.4037 4.4037 4.9758 4.9758 5.8010 5.8010 5.8750 5.8750 9.4956 9.4956 9.5428 9.5428 9.8264 9.8264 10.3106 10.3106 k = 0.5074 0.1333 0.0295 ( 3118 PWs) bands (ev): -35.3946 -35.3946 -19.8540 -19.8540 -16.3593 -16.3593 -14.9687 -14.9687 -14.8630 -14.8630 -5.6319 -5.6319 -4.5881 -4.5881 -4.2998 -4.2998 -3.4993 -3.4993 -3.4018 -3.4018 3.5854 3.5854 4.3647 4.3647 4.4055 4.4055 4.9463 4.9463 5.8153 5.8153 5.8865 5.8865 9.5102 9.5102 9.5314 9.5314 9.8161 9.8161 10.2866 10.2866 k = 0.5037 0.1323 0.0544 ( 3118 PWs) bands (ev): -35.3946 -35.3946 -19.8541 -19.8541 -16.3591 -16.3591 -14.9687 -14.9687 -14.8626 -14.8626 -5.6345 -5.6345 -4.5855 -4.5855 -4.3004 -4.3004 -3.4985 -3.4985 -3.4015 -3.4015 3.5841 3.5841 4.3766 4.3766 4.4100 4.4100 4.9270 4.9270 5.8234 5.8234 5.8940 5.8940 9.5190 9.5190 9.5246 9.5246 9.8102 9.8102 10.2715 10.2715 k = 0.5000 0.1313 0.0793 ( 3136 PWs) bands (ev): -35.3947 -35.3947 -19.8542 -19.8542 -16.3591 -16.3591 -14.9687 -14.9687 -14.8624 -14.8624 -5.6354 -5.6354 -4.5846 -4.5846 -4.3006 -4.3006 -3.4982 -3.4982 -3.4014 -3.4014 3.5837 3.5837 4.3797 4.3797 4.4128 4.4128 4.9202 4.9202 5.8260 5.8260 5.8967 5.8967 9.5213 9.5213 9.5230 9.5230 9.8083 9.8083 10.2662 10.2662 k = 0.5000-0.8860-0.5351 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.2001 -5.2001 -4.5284 -4.5284 -4.4403 -4.4403 -3.7708 -3.7708 -3.5710 -3.5710 3.1865 3.1865 3.8887 3.8887 4.6171 4.6171 4.7429 4.7429 4.8776 4.8776 5.1768 5.1768 8.7102 8.7102 10.4310 10.4310 10.9918 10.9918 11.1699 11.1699 k = 0.5227-0.8766-0.5294 ( 3115 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.1995 -5.1995 -4.5313 -4.5313 -4.4385 -4.4385 -3.7706 -3.7706 -3.5706 -3.5706 3.1846 3.1846 3.8902 3.8902 4.6163 4.6163 4.7387 4.7387 4.8832 4.8832 5.1778 5.1778 8.7067 8.7067 10.4365 10.4365 10.9915 10.9915 11.1695 11.1695 k = 0.5454-0.8672-0.5237 ( 3116 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.1978 -5.1978 -4.5393 -4.5393 -4.4335 -4.4335 -3.7700 -3.7700 -3.5696 -3.5696 3.1789 3.1789 3.8944 3.8944 4.6141 4.6141 4.7277 4.7277 4.8982 4.8982 5.1807 5.1807 8.6964 8.6964 10.4527 10.4527 10.9905 10.9905 11.1684 11.1684 k = 0.5681-0.8579-0.5181 ( 3124 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.1949 -5.1949 -4.5512 -4.5512 -4.4268 -4.4268 -3.7689 -3.7689 -3.5678 -3.5678 3.1697 3.1697 3.9013 3.9013 4.6104 4.6104 4.7128 4.7128 4.9196 4.9196 5.1854 5.1854 8.6798 8.6798 10.4791 10.4791 10.9888 10.9888 11.1665 11.1665 k = 0.5908-0.8485-0.5124 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.1910 -5.1910 -4.5657 -4.5657 -4.4193 -4.4193 -3.7676 -3.7676 -3.5655 -3.5655 3.1575 3.1575 3.9105 3.9105 4.6055 4.6055 4.6960 4.6960 4.9451 4.9451 5.1919 5.1919 8.6577 8.6577 10.5148 10.5148 10.9867 10.9867 11.1640 11.1640 k = 0.6134-0.8391-0.5068 ( 3118 PWs) bands (ev): -35.3840 -35.3840 -19.8030 -19.8030 -16.4121 -16.4121 -15.0345 -15.0345 -14.9337 -14.9337 -5.1859 -5.1859 -4.5821 -4.5821 -4.4117 -4.4117 -3.7660 -3.7660 -3.5625 -3.5625 3.1427 3.1427 3.9219 3.9219 4.5994 4.5994 4.6785 4.6785 4.9733 4.9733 5.1998 5.1998 8.6311 8.6311 10.5585 10.5585 10.9842 10.9842 11.1608 11.1608 k = 0.6361-0.8297-0.5011 ( 3116 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4121 -16.4121 -15.0344 -15.0344 -14.9337 -14.9337 -5.1798 -5.1798 -4.5998 -4.5998 -4.4043 -4.4043 -3.7641 -3.7641 -3.5591 -3.5591 3.1259 3.1259 3.9350 3.9350 4.5925 4.5925 4.6607 4.6607 5.0031 5.0031 5.2090 5.2090 8.6008 8.6008 10.6088 10.6088 10.9816 10.9816 11.1570 11.1570 k = 0.6588-0.8203-0.4954 ( 3112 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0344 -15.0344 -14.9337 -14.9337 -5.1727 -5.1727 -4.6186 -4.6186 -4.3974 -4.3974 -3.7621 -3.7621 -3.5552 -3.5552 3.1077 3.1077 3.9496 3.9496 4.5848 4.5848 4.6431 4.6431 5.0339 5.0339 5.2194 5.2194 8.5681 8.5681 10.6641 10.6641 10.9795 10.9795 11.1528 11.1528 k = 0.6815-0.8110-0.4898 ( 3116 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0343 -15.0343 -14.9337 -14.9337 -5.1647 -5.1647 -4.6381 -4.6381 -4.3910 -4.3910 -3.7601 -3.7601 -3.5511 -3.5511 3.0887 3.0887 3.9655 3.9655 4.5764 4.5764 4.6257 4.6257 5.0649 5.0649 5.2306 5.2306 8.5338 8.5338 10.7222 10.7222 10.9790 10.9790 11.1482 11.1482 k = 0.7042-0.8016-0.4841 ( 3114 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0343 -15.0343 -14.9337 -14.9337 -5.1558 -5.1558 -4.6581 -4.6581 -4.3852 -4.3852 -3.7580 -3.7580 -3.5467 -3.5467 3.0694 3.0694 3.9823 3.9823 4.5675 4.5675 4.6090 4.6090 5.0954 5.0954 5.2426 5.2426 8.4990 8.4990 10.7796 10.7796 10.9822 10.9822 11.1433 11.1433 k = 0.7269-0.7922-0.4784 ( 3115 PWs) bands (ev): -35.3840 -35.3840 -19.8031 -19.8031 -16.4120 -16.4120 -15.0342 -15.0342 -14.9337 -14.9337 -5.1461 -5.1461 -4.6783 -4.6783 -4.3799 -4.3799 -3.7559 -3.7559 -3.5423 -3.5423 3.0503 3.0503 3.9999 3.9999 4.5577 4.5577 4.5932 4.5932 5.1246 5.1246 5.2552 5.2552 8.4644 8.4644 10.8306 10.8306 10.9940 10.9940 11.1383 11.1383 k = 0.7496-0.7828-0.4728 ( 3113 PWs) bands (ev): -35.3841 -35.3841 -19.8032 -19.8032 -16.4119 -16.4119 -15.0342 -15.0342 -14.9337 -14.9337 -5.1358 -5.1358 -4.6986 -4.6986 -4.3752 -4.3752 -3.7538 -3.7538 -3.5379 -3.5379 3.0318 3.0318 4.0179 4.0179 4.5469 4.5469 4.5791 4.5791 5.1518 5.1518 5.2685 5.2685 8.4309 8.4309 10.8664 10.8664 11.0221 11.0221 11.1333 11.1333 k = 0.7723-0.7734-0.4671 ( 3110 PWs) bands (ev): -35.3841 -35.3841 -19.8032 -19.8032 -16.4119 -16.4119 -15.0341 -15.0341 -14.9337 -14.9337 -5.1250 -5.1250 -4.7187 -4.7187 -4.3709 -4.3709 -3.7519 -3.7519 -3.5337 -3.5337 3.0143 3.0143 4.0362 4.0362 4.5347 4.5347 4.5671 4.5671 5.1762 5.1762 5.2823 5.2823 8.3992 8.3992 10.8839 10.8839 11.0683 11.0683 11.1287 11.1287 k = 0.7949-0.7640-0.4614 ( 3106 PWs) bands (ev): -35.3840 -35.3840 -19.8032 -19.8032 -16.4119 -16.4119 -15.0341 -15.0341 -14.9337 -14.9337 -5.1138 -5.1138 -4.7382 -4.7382 -4.3671 -4.3671 -3.7501 -3.7501 -3.5297 -3.5297 2.9982 2.9982 4.0545 4.0545 4.5214 4.5214 4.5574 4.5574 5.1973 5.1973 5.2964 5.2964 8.3699 8.3699 10.8894 10.8894 11.1178 11.1178 11.1323 11.1323 k = 0.8176-0.7547-0.4558 ( 3102 PWs) bands (ev): -35.3840 -35.3840 -19.8033 -19.8033 -16.4118 -16.4118 -15.0340 -15.0340 -14.9337 -14.9337 -5.1026 -5.1026 -4.7570 -4.7570 -4.3638 -4.3638 -3.7484 -3.7484 -3.5262 -3.5262 2.9838 2.9838 4.0725 4.0725 4.5076 4.5076 4.5497 4.5497 5.2147 5.2147 5.3103 5.3103 8.3436 8.3436 10.8892 10.8892 11.1181 11.1181 11.1894 11.1894 Writing output data file RbYS2.save init_run : 0.76s CPU 0.97s WALL ( 1 calls) electrons : 147.99s CPU 149.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 147.98s CPU 149.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 299 calls) cegterg : 130.76s CPU 132.10s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 106.25s CPU 107.26s WALL ( 6272 calls) s_psi : 3.19s CPU 3.23s WALL ( 6272 calls) g_psi : 0.09s CPU 0.11s WALL ( 5605 calls) cdiaghg : 29.14s CPU 29.54s WALL ( 5904 calls) cegterg:over : 2.49s CPU 2.61s WALL ( 5605 calls) cegterg:upda : 2.33s CPU 2.29s WALL ( 5605 calls) cegterg:last : 1.09s CPU 1.14s WALL ( 966 calls) cdiaghg:chol : 1.55s CPU 1.67s WALL ( 5904 calls) cdiaghg:inve : 0.92s CPU 0.89s WALL ( 5904 calls) cdiaghg:para : 1.75s CPU 1.69s WALL ( 11808 calls) Called by h_psi: h_psi:vloc : 99.18s CPU 100.27s WALL ( 6272 calls) h_psi:vnl : 6.99s CPU 6.89s WALL ( 6272 calls) add_vuspsi : 3.84s CPU 3.70s WALL ( 6272 calls) General routines calbec : 3.13s CPU 3.17s WALL ( 6272 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.75s CPU 91.85s WALL ( 515092 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.12s WALL ( 598 calls) Parallel routines fft_scatter : 20.35s CPU 20.89s WALL ( 515115 calls) PWSCF : 2m40.10s CPU 2m58.51s WALL This run was terminated on: 21:16: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=