Program PWSCF v.5.4.0 starts on 22Mar2017 at 2:56:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./KTcCl3.save/ file Tc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 102 53 14 7497 2851 403 Max 103 54 15 7504 2882 410 Sum 7349 3879 1055 539997 206451 29263 bravais-lattice index = 14 lattice parameter (alat) = 15.3360 a.u. unit-cell volume = 3372.7903 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 180.00 number of Kohn-Sham states= 216 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.336041 celldm(2)= 1.000000 celldm(3)= 1.067589 celldm(4)= 0.035526 celldm(5)= 0.035526 celldm(6)= -0.478642 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.478642 0.878010 0.000000 ) a(3) = ( 0.037928 0.063873 1.065001 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.545144 -0.068308 ) b(2) = ( 0.000000 1.138939 -0.068308 ) b(3) = ( 0.000000 0.000000 0.938966 ) PseudoPot. # 1 for Tc read from file: /users/gautes/Pseudo/Tc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20e1f658a7aa6a4afb3e3f899e3635d1 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1231 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tc 15.00 98.00000 Tc( 1.00) K 9.00 39.09830 K( 1.00) Cl 7.00 35.45300 Cl( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 222 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0130057 0.0219027 -0.0013136), wk = 0.0045045 k( 3) = ( 0.0260114 0.0438054 -0.0026272), wk = 0.0045045 k( 4) = ( 0.0390171 0.0657080 -0.0039408), wk = 0.0045045 k( 5) = ( 0.0520228 0.0876107 -0.0052544), wk = 0.0045045 k( 6) = ( 0.0650285 0.1095134 -0.0065681), wk = 0.0045045 k( 7) = ( 0.0780342 0.1314161 -0.0078817), wk = 0.0045045 k( 8) = ( 0.0910399 0.1533187 -0.0091953), wk = 0.0045045 k( 9) = ( 0.1040456 0.1752214 -0.0105089), wk = 0.0045045 k( 10) = ( 0.1170512 0.1971241 -0.0118225), wk = 0.0045045 k( 11) = ( 0.1300570 0.2190268 -0.0131361), wk = 0.0045045 k( 12) = ( 0.1430626 0.2409294 -0.0144497), wk = 0.0045045 k( 13) = ( 0.1560683 0.2628321 -0.0157633), wk = 0.0045045 k( 14) = ( 0.1690740 0.2847348 -0.0170769), wk = 0.0045045 k( 15) = ( 0.1820797 0.3066375 -0.0183906), wk = 0.0045045 k( 16) = ( 0.1950854 0.3285401 -0.0197042), wk = 0.0045045 k( 17) = ( 0.2080911 0.3504428 -0.0210178), wk = 0.0045045 k( 18) = ( 0.2210968 0.3723455 -0.0223314), wk = 0.0045045 k( 19) = ( 0.2341025 0.3942482 -0.0236450), wk = 0.0045045 k( 20) = ( 0.2471082 0.4161508 -0.0249586), wk = 0.0045045 k( 21) = ( 0.2601139 0.4380535 -0.0262722), wk = 0.0045045 k( 22) = ( 0.2731196 0.4599562 -0.0275858), wk = 0.0045045 k( 23) = ( 0.2861253 0.4818589 -0.0288994), wk = 0.0045045 k( 24) = ( 0.2991310 0.5037615 -0.0302131), wk = 0.0045045 k( 25) = ( 0.3121367 0.5256642 -0.0315267), wk = 0.0045045 k( 26) = ( 0.3251424 0.5475669 -0.0328403), wk = 0.0045045 k( 27) = ( 0.3381481 0.5694696 -0.0341539), wk = 0.0045045 k( 28) = ( 0.3381481 0.5694696 -0.0341539), wk = 0.0045045 k( 29) = ( 0.3390600 0.5710054 -0.0085463), wk = 0.0045045 k( 30) = ( 0.3399720 0.5725412 0.0170613), wk = 0.0045045 k( 31) = ( 0.3408839 0.5740770 0.0426689), wk = 0.0045045 k( 32) = ( 0.3417959 0.5756128 0.0682765), wk = 0.0045045 k( 33) = ( 0.3427078 0.5771486 0.0938841), wk = 0.0045045 k( 34) = ( 0.3436198 0.5786845 0.1194917), wk = 0.0045045 k( 35) = ( 0.3445318 0.5802203 0.1450993), wk = 0.0045045 k( 36) = ( 0.3454437 0.5817561 0.1707069), wk = 0.0045045 k( 37) = ( 0.3463557 0.5832919 0.1963145), wk = 0.0045045 k( 38) = ( 0.3472676 0.5848277 0.2219221), wk = 0.0045045 k( 39) = ( 0.3481796 0.5863635 0.2475297), wk = 0.0045045 k( 40) = ( 0.3490916 0.5878993 0.2731373), wk = 0.0045045 k( 41) = ( 0.3500035 0.5894352 0.2987449), wk = 0.0045045 k( 42) = ( 0.3509155 0.5909710 0.3243524), wk = 0.0045045 k( 43) = ( 0.3518274 0.5925068 0.3499600), wk = 0.0045045 k( 44) = ( 0.3527394 0.5940426 0.3755676), wk = 0.0045045 k( 45) = ( 0.3536513 0.5955784 0.4011752), wk = 0.0045045 k( 46) = ( 0.3536513 0.5955784 0.4011752), wk = 0.0045045 k( 47) = ( 0.3458997 0.5825240 0.4182522), wk = 0.0045045 k( 48) = ( 0.3381481 0.5694696 0.4353291), wk = 0.0045045 k( 49) = ( 0.3303964 0.5564152 0.4524061), wk = 0.0045045 k( 50) = ( 0.3226448 0.5433608 0.4694830), wk = 0.0045045 k( 51) = ( 0.3226448 0.5433608 0.4694830), wk = 0.0045045 k( 52) = ( 0.3097390 0.5216263 0.4694830), wk = 0.0045045 k( 53) = ( 0.2968332 0.4998919 0.4694830), wk = 0.0045045 k( 54) = ( 0.2839274 0.4781575 0.4694830), wk = 0.0045045 k( 55) = ( 0.2710216 0.4564230 0.4694830), wk = 0.0045045 k( 56) = ( 0.2581158 0.4346886 0.4694830), wk = 0.0045045 k( 57) = ( 0.2452100 0.4129542 0.4694830), wk = 0.0045045 k( 58) = ( 0.2323042 0.3912197 0.4694830), wk = 0.0045045 k( 59) = ( 0.2193984 0.3694853 0.4694830), wk = 0.0045045 k( 60) = ( 0.2064927 0.3477509 0.4694830), wk = 0.0045045 k( 61) = ( 0.1935869 0.3260165 0.4694830), wk = 0.0045045 k( 62) = ( 0.1806811 0.3042820 0.4694830), wk = 0.0045045 k( 63) = ( 0.1677753 0.2825476 0.4694830), wk = 0.0045045 k( 64) = ( 0.1548695 0.2608132 0.4694830), wk = 0.0045045 k( 65) = ( 0.1419637 0.2390787 0.4694830), wk = 0.0045045 k( 66) = ( 0.1290579 0.2173443 0.4694830), wk = 0.0045045 k( 67) = ( 0.1161521 0.1956099 0.4694830), wk = 0.0045045 k( 68) = ( 0.1032463 0.1738754 0.4694830), wk = 0.0045045 k( 69) = ( 0.0903405 0.1521410 0.4694830), wk = 0.0045045 k( 70) = ( 0.0774347 0.1304066 0.4694830), wk = 0.0045045 k( 71) = ( 0.0645290 0.1086722 0.4694830), wk = 0.0045045 k( 72) = ( 0.0516232 0.0869377 0.4694830), wk = 0.0045045 k( 73) = ( 0.0387174 0.0652033 0.4694830), wk = 0.0045045 k( 74) = ( 0.0258116 0.0434689 0.4694830), wk = 0.0045045 k( 75) = ( 0.0129058 0.0217344 0.4694830), wk = 0.0045045 k( 76) = ( 0.0000000 0.0000000 0.4694830), wk = 0.0045045 k( 77) = ( 0.0000000 0.0000000 0.4694830), wk = 0.0045045 k( 78) = ( 0.0217391 -0.0129086 0.4694830), wk = 0.0045045 k( 79) = ( 0.0434783 -0.0258172 0.4694830), wk = 0.0045045 k( 80) = ( 0.0652174 -0.0387257 0.4694830), wk = 0.0045045 k( 81) = ( 0.0869565 -0.0516343 0.4694830), wk = 0.0045045 k( 82) = ( 0.1086957 -0.0645429 0.4694830), wk = 0.0045045 k( 83) = ( 0.1304348 -0.0774515 0.4694830), wk = 0.0045045 k( 84) = ( 0.1521739 -0.0903601 0.4694830), wk = 0.0045045 k( 85) = ( 0.1739130 -0.1032687 0.4694830), wk = 0.0045045 k( 86) = ( 0.1956522 -0.1161772 0.4694830), wk = 0.0045045 k( 87) = ( 0.2173913 -0.1290858 0.4694830), wk = 0.0045045 k( 88) = ( 0.2391304 -0.1419944 0.4694830), wk = 0.0045045 k( 89) = ( 0.2608696 -0.1549030 0.4694830), wk = 0.0045045 k( 90) = ( 0.2826087 -0.1678116 0.4694830), wk = 0.0045045 k( 91) = ( 0.3043478 -0.1807202 0.4694830), wk = 0.0045045 k( 92) = ( 0.3260870 -0.1936287 0.4694830), wk = 0.0045045 k( 93) = ( 0.3478261 -0.2065373 0.4694830), wk = 0.0045045 k( 94) = ( 0.3695652 -0.2194459 0.4694830), wk = 0.0045045 k( 95) = ( 0.3913044 -0.2323545 0.4694830), wk = 0.0045045 k( 96) = ( 0.4130435 -0.2452631 0.4694830), wk = 0.0045045 k( 97) = ( 0.4347826 -0.2581716 0.4694830), wk = 0.0045045 k( 98) = ( 0.4565217 -0.2710802 0.4694830), wk = 0.0045045 k( 99) = ( 0.4782609 -0.2839888 0.4694830), wk = 0.0045045 k( 100) = ( 0.5000000 -0.2968974 0.4694830), wk = 0.0045045 k( 101) = ( 0.5000000 -0.2968974 0.4694830), wk = 0.0045045 k( 102) = ( 0.5121957 -0.2763588 0.4694830), wk = 0.0045045 k( 103) = ( 0.5243914 -0.2558202 0.4694830), wk = 0.0045045 k( 104) = ( 0.5365872 -0.2352816 0.4694830), wk = 0.0045045 k( 105) = ( 0.5487829 -0.2147429 0.4694830), wk = 0.0045045 k( 106) = ( 0.5609786 -0.1942043 0.4694830), wk = 0.0045045 k( 107) = ( 0.5731743 -0.1736657 0.4694830), wk = 0.0045045 k( 108) = ( 0.5853700 -0.1531271 0.4694830), wk = 0.0045045 k( 109) = ( 0.5975658 -0.1325885 0.4694830), wk = 0.0045045 k( 110) = ( 0.6097615 -0.1120499 0.4694830), wk = 0.0045045 k( 111) = ( 0.6219572 -0.0915113 0.4694830), wk = 0.0045045 k( 112) = ( 0.6341529 -0.0709727 0.4694830), wk = 0.0045045 k( 113) = ( 0.6463486 -0.0504340 0.4694830), wk = 0.0045045 k( 114) = ( 0.6773552 0.0017836 0.4011752), wk = 0.0045045 k( 115) = ( 0.6764433 0.0002478 0.3755676), wk = 0.0045045 k( 116) = ( 0.6755313 -0.0012880 0.3499600), wk = 0.0045045 k( 117) = ( 0.6746193 -0.0028238 0.3243525), wk = 0.0045045 k( 118) = ( 0.6737074 -0.0043596 0.2987449), wk = 0.0045045 k( 119) = ( 0.6727954 -0.0058955 0.2731373), wk = 0.0045045 k( 120) = ( 0.6718835 -0.0074313 0.2475297), wk = 0.0045045 k( 121) = ( 0.6709715 -0.0089671 0.2219221), wk = 0.0045045 k( 122) = ( 0.6700596 -0.0105029 0.1963145), wk = 0.0045045 k( 123) = ( 0.6691476 -0.0120387 0.1707069), wk = 0.0045045 k( 124) = ( 0.6682356 -0.0135745 0.1450993), wk = 0.0045045 k( 125) = ( 0.6673237 -0.0151103 0.1194917), wk = 0.0045045 k( 126) = ( 0.6664117 -0.0166461 0.0938841), wk = 0.0045045 k( 127) = ( 0.6654998 -0.0181820 0.0682765), wk = 0.0045045 k( 128) = ( 0.6645878 -0.0197178 0.0426689), wk = 0.0045045 k( 129) = ( 0.6636758 -0.0212536 0.0170613), wk = 0.0045045 k( 130) = ( 0.6627639 -0.0227894 -0.0085463), wk = 0.0045045 k( 131) = ( 0.6618519 -0.0243252 -0.0341539), wk = 0.0045045 k( 132) = ( 0.6618519 -0.0243252 -0.0341539), wk = 0.0045045 k( 133) = ( 0.6494018 -0.0452923 -0.0315267), wk = 0.0045045 k( 134) = ( 0.6369516 -0.0662594 -0.0288994), wk = 0.0045045 k( 135) = ( 0.6245015 -0.0872265 -0.0262722), wk = 0.0045045 k( 136) = ( 0.6120513 -0.1081936 -0.0236450), wk = 0.0045045 k( 137) = ( 0.5996012 -0.1291607 -0.0210178), wk = 0.0045045 k( 138) = ( 0.5871510 -0.1501278 -0.0183906), wk = 0.0045045 k( 139) = ( 0.5747009 -0.1710949 -0.0157633), wk = 0.0045045 k( 140) = ( 0.5622508 -0.1920619 -0.0131361), wk = 0.0045045 k( 141) = ( 0.5498006 -0.2130290 -0.0105089), wk = 0.0045045 k( 142) = ( 0.5373505 -0.2339961 -0.0078817), wk = 0.0045045 k( 143) = ( 0.5249003 -0.2549632 -0.0052544), wk = 0.0045045 k( 144) = ( 0.5124502 -0.2759303 -0.0026272), wk = 0.0045045 k( 145) = ( 0.5000000 -0.2968974 0.0000000), wk = 0.0045045 k( 146) = ( 0.5000000 -0.2968974 0.0000000), wk = 0.0045045 k( 147) = ( 0.4782609 -0.2839888 0.0000000), wk = 0.0045045 k( 148) = ( 0.4565217 -0.2710802 0.0000000), wk = 0.0045045 k( 149) = ( 0.4347826 -0.2581716 0.0000000), wk = 0.0045045 k( 150) = ( 0.4130435 -0.2452631 0.0000000), wk = 0.0045045 k( 151) = ( 0.3913044 -0.2323545 0.0000000), wk = 0.0045045 k( 152) = ( 0.3695652 -0.2194459 0.0000000), wk = 0.0045045 k( 153) = ( 0.3478261 -0.2065373 0.0000000), wk = 0.0045045 k( 154) = ( 0.3260870 -0.1936287 0.0000000), wk = 0.0045045 k( 155) = ( 0.3043478 -0.1807202 0.0000000), wk = 0.0045045 k( 156) = ( 0.2826087 -0.1678116 0.0000000), wk = 0.0045045 k( 157) = ( 0.2608696 -0.1549030 0.0000000), wk = 0.0045045 k( 158) = ( 0.2391304 -0.1419944 0.0000000), wk = 0.0045045 k( 159) = ( 0.2173913 -0.1290858 0.0000000), wk = 0.0045045 k( 160) = ( 0.1956522 -0.1161772 0.0000000), wk = 0.0045045 k( 161) = ( 0.1739130 -0.1032687 0.0000000), wk = 0.0045045 k( 162) = ( 0.1521739 -0.0903601 0.0000000), wk = 0.0045045 k( 163) = ( 0.1304348 -0.0774515 0.0000000), wk = 0.0045045 k( 164) = ( 0.1086957 -0.0645429 0.0000000), wk = 0.0045045 k( 165) = ( 0.0869565 -0.0516343 0.0000000), wk = 0.0045045 k( 166) = ( 0.0652174 -0.0387257 0.0000000), wk = 0.0045045 k( 167) = ( 0.0434783 -0.0258172 0.0000000), wk = 0.0045045 k( 168) = ( 0.0217391 -0.0129086 0.0000000), wk = 0.0045045 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 171) = ( 0.0217391 0.0118510 -0.0014850), wk = 0.0045045 k( 172) = ( 0.0434783 0.0237019 -0.0029699), wk = 0.0045045 k( 173) = ( 0.0652174 0.0355529 -0.0044549), wk = 0.0045045 k( 174) = ( 0.0869565 0.0474039 -0.0059398), wk = 0.0045045 k( 175) = ( 0.1086957 0.0592548 -0.0074248), wk = 0.0045045 k( 176) = ( 0.1304348 0.0711058 -0.0089097), wk = 0.0045045 k( 177) = ( 0.1521739 0.0829567 -0.0103947), wk = 0.0045045 k( 178) = ( 0.1739130 0.0948077 -0.0118796), wk = 0.0045045 k( 179) = ( 0.1956522 0.1066587 -0.0133646), wk = 0.0045045 k( 180) = ( 0.2173913 0.1185096 -0.0148495), wk = 0.0045045 k( 181) = ( 0.2391304 0.1303606 -0.0163345), wk = 0.0045045 k( 182) = ( 0.2608696 0.1422116 -0.0178194), wk = 0.0045045 k( 183) = ( 0.2826087 0.1540625 -0.0193044), wk = 0.0045045 k( 184) = ( 0.3043478 0.1659135 -0.0207893), wk = 0.0045045 k( 185) = ( 0.3260870 0.1777645 -0.0222743), wk = 0.0045045 k( 186) = ( 0.3478261 0.1896154 -0.0237592), wk = 0.0045045 k( 187) = ( 0.3695652 0.2014664 -0.0252442), wk = 0.0045045 k( 188) = ( 0.3913044 0.2133174 -0.0267291), wk = 0.0045045 k( 189) = ( 0.4130435 0.2251683 -0.0282141), wk = 0.0045045 k( 190) = ( 0.4347826 0.2370193 -0.0296990), wk = 0.0045045 k( 191) = ( 0.4565217 0.2488703 -0.0311840), wk = 0.0045045 k( 192) = ( 0.4782609 0.2607212 -0.0326689), wk = 0.0045045 k( 193) = ( 0.5000000 0.2725722 -0.0341539), wk = 0.0045045 k( 194) = ( 0.5000000 0.2725722 0.4353291), wk = 0.0045045 k( 195) = ( 0.4821429 0.2628375 0.4197817), wk = 0.0045045 k( 196) = ( 0.4642857 0.2531027 0.4042342), wk = 0.0045045 k( 197) = ( 0.4464286 0.2433680 0.3886867), wk = 0.0045045 k( 198) = ( 0.4285714 0.2336333 0.3731393), wk = 0.0045045 k( 199) = ( 0.4107143 0.2238986 0.3575918), wk = 0.0045045 k( 200) = ( 0.3928571 0.2141639 0.3420443), wk = 0.0045045 k( 201) = ( 0.3750000 0.2044291 0.3264968), wk = 0.0045045 k( 202) = ( 0.3571429 0.1946944 0.3109494), wk = 0.0045045 k( 203) = ( 0.3392857 0.1849597 0.2954019), wk = 0.0045045 k( 204) = ( 0.3214286 0.1752250 0.2798544), wk = 0.0045045 k( 205) = ( 0.3035714 0.1654903 0.2643070), wk = 0.0045045 k( 206) = ( 0.2857143 0.1557555 0.2487595), wk = 0.0045045 k( 207) = ( 0.2678571 0.1460208 0.2332120), wk = 0.0045045 k( 208) = ( 0.2500000 0.1362861 0.2176646), wk = 0.0045045 k( 209) = ( 0.2321429 0.1265514 0.2021171), wk = 0.0045045 k( 210) = ( 0.2142857 0.1168166 0.1865696), wk = 0.0045045 k( 211) = ( 0.1964286 0.1070819 0.1710222), wk = 0.0045045 k( 212) = ( 0.1785714 0.0973472 0.1554747), wk = 0.0045045 k( 213) = ( 0.1607143 0.0876125 0.1399272), wk = 0.0045045 k( 214) = ( 0.1428571 0.0778778 0.1243797), wk = 0.0045045 k( 215) = ( 0.1250000 0.0681430 0.1088323), wk = 0.0045045 k( 216) = ( 0.1071429 0.0584083 0.0932848), wk = 0.0045045 k( 217) = ( 0.0892857 0.0486736 0.0777373), wk = 0.0045045 k( 218) = ( 0.0714286 0.0389389 0.0621899), wk = 0.0045045 k( 219) = ( 0.0535714 0.0292042 0.0466424), wk = 0.0045045 k( 220) = ( 0.0357143 0.0194694 0.0310949), wk = 0.0045045 k( 221) = ( 0.0178571 0.0097347 0.0155475), wk = 0.0045045 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0130057 0.0130057 0.0004933), wk = 0.0045045 k( 3) = ( 0.0260114 0.0260114 0.0009865), wk = 0.0045045 k( 4) = ( 0.0390171 0.0390171 0.0014798), wk = 0.0045045 k( 5) = ( 0.0520228 0.0520228 0.0019731), wk = 0.0045045 k( 6) = ( 0.0650285 0.0650285 0.0024664), wk = 0.0045045 k( 7) = ( 0.0780342 0.0780342 0.0029596), wk = 0.0045045 k( 8) = ( 0.0910399 0.0910399 0.0034529), wk = 0.0045045 k( 9) = ( 0.1040456 0.1040456 0.0039462), wk = 0.0045045 k( 10) = ( 0.1170512 0.1170513 0.0044395), wk = 0.0045045 k( 11) = ( 0.1300570 0.1300570 0.0049328), wk = 0.0045045 k( 12) = ( 0.1430626 0.1430626 0.0054260), wk = 0.0045045 k( 13) = ( 0.1560683 0.1560683 0.0059193), wk = 0.0045045 k( 14) = ( 0.1690740 0.1690740 0.0064126), wk = 0.0045045 k( 15) = ( 0.1820797 0.1820797 0.0069059), wk = 0.0045045 k( 16) = ( 0.1950854 0.1950854 0.0073991), wk = 0.0045045 k( 17) = ( 0.2080911 0.2080911 0.0078924), wk = 0.0045045 k( 18) = ( 0.2210968 0.2210968 0.0083857), wk = 0.0045045 k( 19) = ( 0.2341025 0.2341025 0.0088790), wk = 0.0045045 k( 20) = ( 0.2471082 0.2471082 0.0093722), wk = 0.0045045 k( 21) = ( 0.2601139 0.2601139 0.0098655), wk = 0.0045045 k( 22) = ( 0.2731196 0.2731196 0.0103588), wk = 0.0045045 k( 23) = ( 0.2861253 0.2861253 0.0108521), wk = 0.0045045 k( 24) = ( 0.2991310 0.2991310 0.0113453), wk = 0.0045045 k( 25) = ( 0.3121367 0.3121367 0.0118386), wk = 0.0045045 k( 26) = ( 0.3251424 0.3251424 0.0123319), wk = 0.0045045 k( 27) = ( 0.3381481 0.3381481 0.0128252), wk = 0.0045045 k( 28) = ( 0.3381481 0.3381481 0.0128252), wk = 0.0045045 k( 29) = ( 0.3390600 0.3390600 0.0402300), wk = 0.0045045 k( 30) = ( 0.3399720 0.3399720 0.0676348), wk = 0.0045045 k( 31) = ( 0.3408839 0.3408839 0.0950396), wk = 0.0045045 k( 32) = ( 0.3417959 0.3417959 0.1224444), wk = 0.0045045 k( 33) = ( 0.3427078 0.3427078 0.1498492), wk = 0.0045045 k( 34) = ( 0.3436198 0.3436198 0.1772540), wk = 0.0045045 k( 35) = ( 0.3445318 0.3445318 0.2046588), wk = 0.0045045 k( 36) = ( 0.3454437 0.3454437 0.2320636), wk = 0.0045045 k( 37) = ( 0.3463557 0.3463557 0.2594684), wk = 0.0045045 k( 38) = ( 0.3472676 0.3472676 0.2868732), wk = 0.0045045 k( 39) = ( 0.3481796 0.3481796 0.3142780), wk = 0.0045045 k( 40) = ( 0.3490916 0.3490916 0.3416829), wk = 0.0045045 k( 41) = ( 0.3500035 0.3500035 0.3690877), wk = 0.0045045 k( 42) = ( 0.3509155 0.3509155 0.3964925), wk = 0.0045045 k( 43) = ( 0.3518274 0.3518274 0.4238973), wk = 0.0045045 k( 44) = ( 0.3527394 0.3527394 0.4513021), wk = 0.0045045 k( 45) = ( 0.3536513 0.3536514 0.4787069), wk = 0.0045045 k( 46) = ( 0.3536513 0.3536514 0.4787069), wk = 0.0045045 k( 47) = ( 0.3458997 0.3458997 0.4957660), wk = 0.0045045 k( 48) = ( 0.3381481 0.3381481 0.5128252), wk = 0.0045045 k( 49) = ( 0.3303964 0.3303964 0.5298843), wk = 0.0045045 k( 50) = ( 0.3226448 0.3226448 0.5469434), wk = 0.0045045 k( 51) = ( 0.3226448 0.3226448 0.5469434), wk = 0.0045045 k( 52) = ( 0.3097390 0.3097390 0.5450657), wk = 0.0045045 k( 53) = ( 0.2968332 0.2968332 0.5431880), wk = 0.0045045 k( 54) = ( 0.2839274 0.2839274 0.5413102), wk = 0.0045045 k( 55) = ( 0.2710216 0.2710216 0.5394325), wk = 0.0045045 k( 56) = ( 0.2581158 0.2581158 0.5375547), wk = 0.0045045 k( 57) = ( 0.2452100 0.2452100 0.5356770), wk = 0.0045045 k( 58) = ( 0.2323042 0.2323042 0.5337993), wk = 0.0045045 k( 59) = ( 0.2193984 0.2193984 0.5319215), wk = 0.0045045 k( 60) = ( 0.2064927 0.2064927 0.5300438), wk = 0.0045045 k( 61) = ( 0.1935869 0.1935869 0.5281661), wk = 0.0045045 k( 62) = ( 0.1806811 0.1806811 0.5262883), wk = 0.0045045 k( 63) = ( 0.1677753 0.1677753 0.5244106), wk = 0.0045045 k( 64) = ( 0.1548695 0.1548695 0.5225329), wk = 0.0045045 k( 65) = ( 0.1419637 0.1419637 0.5206551), wk = 0.0045045 k( 66) = ( 0.1290579 0.1290579 0.5187774), wk = 0.0045045 k( 67) = ( 0.1161521 0.1161521 0.5168996), wk = 0.0045045 k( 68) = ( 0.1032463 0.1032463 0.5150219), wk = 0.0045045 k( 69) = ( 0.0903405 0.0903405 0.5131442), wk = 0.0045045 k( 70) = ( 0.0774347 0.0774348 0.5112664), wk = 0.0045045 k( 71) = ( 0.0645290 0.0645290 0.5093887), wk = 0.0045045 k( 72) = ( 0.0516232 0.0516232 0.5075110), wk = 0.0045045 k( 73) = ( 0.0387174 0.0387174 0.5056332), wk = 0.0045045 k( 74) = ( 0.0258116 0.0258116 0.5037555), wk = 0.0045045 k( 75) = ( 0.0129058 0.0129058 0.5018777), wk = 0.0045045 k( 76) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 78) = ( 0.0217391 -0.0217391 0.5000000), wk = 0.0045045 k( 79) = ( 0.0434783 -0.0434783 0.5000000), wk = 0.0045045 k( 80) = ( 0.0652174 -0.0652174 0.5000000), wk = 0.0045045 k( 81) = ( 0.0869565 -0.0869565 0.5000000), wk = 0.0045045 k( 82) = ( 0.1086957 -0.1086957 0.5000000), wk = 0.0045045 k( 83) = ( 0.1304348 -0.1304348 0.5000000), wk = 0.0045045 k( 84) = ( 0.1521739 -0.1521739 0.5000000), wk = 0.0045045 k( 85) = ( 0.1739130 -0.1739130 0.5000000), wk = 0.0045045 k( 86) = ( 0.1956522 -0.1956522 0.5000000), wk = 0.0045045 k( 87) = ( 0.2173913 -0.2173913 0.5000000), wk = 0.0045045 k( 88) = ( 0.2391304 -0.2391304 0.5000000), wk = 0.0045045 k( 89) = ( 0.2608696 -0.2608696 0.5000000), wk = 0.0045045 k( 90) = ( 0.2826087 -0.2826087 0.5000000), wk = 0.0045045 k( 91) = ( 0.3043478 -0.3043478 0.5000000), wk = 0.0045045 k( 92) = ( 0.3260870 -0.3260870 0.5000000), wk = 0.0045045 k( 93) = ( 0.3478261 -0.3478261 0.5000000), wk = 0.0045045 k( 94) = ( 0.3695652 -0.3695652 0.5000000), wk = 0.0045045 k( 95) = ( 0.3913044 -0.3913044 0.5000000), wk = 0.0045045 k( 96) = ( 0.4130435 -0.4130435 0.5000000), wk = 0.0045045 k( 97) = ( 0.4347826 -0.4347826 0.5000000), wk = 0.0045045 k( 98) = ( 0.4565217 -0.4565217 0.5000000), wk = 0.0045045 k( 99) = ( 0.4782609 -0.4782609 0.5000000), wk = 0.0045045 k( 100) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0045045 k( 101) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0045045 k( 102) = ( 0.5121957 -0.4878043 0.5017744), wk = 0.0045045 k( 103) = ( 0.5243914 -0.4756086 0.5035489), wk = 0.0045045 k( 104) = ( 0.5365872 -0.4634128 0.5053233), wk = 0.0045045 k( 105) = ( 0.5487829 -0.4512171 0.5070977), wk = 0.0045045 k( 106) = ( 0.5609786 -0.4390214 0.5088721), wk = 0.0045045 k( 107) = ( 0.5731743 -0.4268257 0.5106466), wk = 0.0045045 k( 108) = ( 0.5853700 -0.4146300 0.5124210), wk = 0.0045045 k( 109) = ( 0.5975658 -0.4024342 0.5141954), wk = 0.0045045 k( 110) = ( 0.6097615 -0.3902385 0.5159698), wk = 0.0045045 k( 111) = ( 0.6219572 -0.3780428 0.5177443), wk = 0.0045045 k( 112) = ( 0.6341529 -0.3658471 0.5195187), wk = 0.0045045 k( 113) = ( 0.6463486 -0.3536514 0.5212931), wk = 0.0045045 k( 114) = ( 0.6773552 -0.3226448 0.4530566), wk = 0.0045045 k( 115) = ( 0.6764433 -0.3235567 0.4256518), wk = 0.0045045 k( 116) = ( 0.6755313 -0.3244687 0.3982469), wk = 0.0045045 k( 117) = ( 0.6746193 -0.3253807 0.3708421), wk = 0.0045045 k( 118) = ( 0.6737074 -0.3262926 0.3434373), wk = 0.0045045 k( 119) = ( 0.6727954 -0.3272046 0.3160325), wk = 0.0045045 k( 120) = ( 0.6718835 -0.3281165 0.2886277), wk = 0.0045045 k( 121) = ( 0.6709715 -0.3290285 0.2612229), wk = 0.0045045 k( 122) = ( 0.6700596 -0.3299404 0.2338181), wk = 0.0045045 k( 123) = ( 0.6691476 -0.3308524 0.2064133), wk = 0.0045045 k( 124) = ( 0.6682356 -0.3317644 0.1790085), wk = 0.0045045 k( 125) = ( 0.6673237 -0.3326763 0.1516037), wk = 0.0045045 k( 126) = ( 0.6664117 -0.3335883 0.1241989), wk = 0.0045045 k( 127) = ( 0.6654998 -0.3345002 0.0967941), wk = 0.0045045 k( 128) = ( 0.6645878 -0.3354122 0.0693892), wk = 0.0045045 k( 129) = ( 0.6636758 -0.3363242 0.0419844), wk = 0.0045045 k( 130) = ( 0.6627639 -0.3372361 0.0145796), wk = 0.0045045 k( 131) = ( 0.6618519 -0.3381481 -0.0128252), wk = 0.0045045 k( 132) = ( 0.6618519 -0.3381481 -0.0128252), wk = 0.0045045 k( 133) = ( 0.6494018 -0.3505982 -0.0118386), wk = 0.0045045 k( 134) = ( 0.6369516 -0.3630484 -0.0108521), wk = 0.0045045 k( 135) = ( 0.6245015 -0.3754985 -0.0098655), wk = 0.0045045 k( 136) = ( 0.6120513 -0.3879487 -0.0088790), wk = 0.0045045 k( 137) = ( 0.5996012 -0.4003988 -0.0078924), wk = 0.0045045 k( 138) = ( 0.5871510 -0.4128490 -0.0069059), wk = 0.0045045 k( 139) = ( 0.5747009 -0.4252991 -0.0059193), wk = 0.0045045 k( 140) = ( 0.5622508 -0.4377493 -0.0049328), wk = 0.0045045 k( 141) = ( 0.5498006 -0.4501994 -0.0039462), wk = 0.0045045 k( 142) = ( 0.5373505 -0.4626496 -0.0029597), wk = 0.0045045 k( 143) = ( 0.5249003 -0.4750997 -0.0019731), wk = 0.0045045 k( 144) = ( 0.5124502 -0.4875499 -0.0009866), wk = 0.0045045 k( 145) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0045045 k( 146) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0045045 k( 147) = ( 0.4782609 -0.4782609 -0.0000000), wk = 0.0045045 k( 148) = ( 0.4565217 -0.4565217 -0.0000000), wk = 0.0045045 k( 149) = ( 0.4347826 -0.4347826 -0.0000000), wk = 0.0045045 k( 150) = ( 0.4130435 -0.4130435 -0.0000000), wk = 0.0045045 k( 151) = ( 0.3913044 -0.3913044 -0.0000000), wk = 0.0045045 k( 152) = ( 0.3695652 -0.3695652 -0.0000000), wk = 0.0045045 k( 153) = ( 0.3478261 -0.3478261 -0.0000000), wk = 0.0045045 k( 154) = ( 0.3260870 -0.3260870 -0.0000000), wk = 0.0045045 k( 155) = ( 0.3043478 -0.3043478 -0.0000000), wk = 0.0045045 k( 156) = ( 0.2826087 -0.2826087 -0.0000000), wk = 0.0045045 k( 157) = ( 0.2608696 -0.2608696 -0.0000000), wk = 0.0045045 k( 158) = ( 0.2391304 -0.2391304 -0.0000000), wk = 0.0045045 k( 159) = ( 0.2173913 -0.2173913 -0.0000000), wk = 0.0045045 k( 160) = ( 0.1956522 -0.1956522 -0.0000000), wk = 0.0045045 k( 161) = ( 0.1739130 -0.1739130 -0.0000000), wk = 0.0045045 k( 162) = ( 0.1521739 -0.1521739 -0.0000000), wk = 0.0045045 k( 163) = ( 0.1304348 -0.1304348 -0.0000000), wk = 0.0045045 k( 164) = ( 0.1086957 -0.1086957 -0.0000000), wk = 0.0045045 k( 165) = ( 0.0869565 -0.0869565 -0.0000000), wk = 0.0045045 k( 166) = ( 0.0652174 -0.0652174 -0.0000000), wk = 0.0045045 k( 167) = ( 0.0434783 -0.0434783 -0.0000000), wk = 0.0045045 k( 168) = ( 0.0217391 -0.0217391 -0.0000000), wk = 0.0045045 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 171) = ( 0.0217391 0.0000000 -0.0000000), wk = 0.0045045 k( 172) = ( 0.0434783 0.0000000 -0.0000000), wk = 0.0045045 k( 173) = ( 0.0652174 0.0000000 -0.0000000), wk = 0.0045045 k( 174) = ( 0.0869565 0.0000000 -0.0000000), wk = 0.0045045 k( 175) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0045045 k( 176) = ( 0.1304348 0.0000000 -0.0000000), wk = 0.0045045 k( 177) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0045045 k( 178) = ( 0.1739130 0.0000000 -0.0000000), wk = 0.0045045 k( 179) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0045045 k( 180) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0045045 k( 181) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0045045 k( 182) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0045045 k( 183) = ( 0.2826087 0.0000000 -0.0000000), wk = 0.0045045 k( 184) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0045045 k( 185) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0045045 k( 186) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0045045 k( 187) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0045045 k( 188) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0045045 k( 189) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0045045 k( 190) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0045045 k( 191) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0045045 k( 192) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0045045 k( 193) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045045 k( 194) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045045 k( 195) = ( 0.4821429 0.0000000 0.4821429), wk = 0.0045045 k( 196) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0045045 k( 197) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0045045 k( 198) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0045045 k( 199) = ( 0.4107143 -0.0000000 0.4107143), wk = 0.0045045 k( 200) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0045045 k( 201) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0045045 k( 202) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0045045 k( 203) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0045045 k( 204) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0045045 k( 205) = ( 0.3035714 -0.0000000 0.3035714), wk = 0.0045045 k( 206) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0045045 k( 207) = ( 0.2678571 -0.0000000 0.2678571), wk = 0.0045045 k( 208) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0045045 k( 209) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0045045 k( 210) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0045045 k( 211) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0045045 k( 212) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0045045 k( 213) = ( 0.1607143 -0.0000000 0.1607143), wk = 0.0045045 k( 214) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0045045 k( 215) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0045045 k( 216) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0045045 k( 217) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0045045 k( 218) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0045045 k( 219) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0045045 k( 220) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0045045 k( 221) = ( 0.0178571 -0.0000000 0.0178571), wk = 0.0045045 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 Dense grid: 539997 G-vectors FFT dimensions: ( 108, 108, 120) Smooth grid: 206451 G-vectors FFT dimensions: ( 75, 75, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 2.47 Mb ( 750, 216) NL pseudopotentials 3.89 Mb ( 375, 680) Each V/rho on FFT grid 0.36 Mb ( 23328) Each G-vector array 0.06 Mb ( 7502) G-vector shells 0.06 Mb ( 7353) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 9.89 Mb ( 750, 864) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 4.48 Mb ( 680, 2, 216) The potential is recalculated from file : ./KTcCl3.save/charge-density.dat negative rho (up, down): 3.658E+02 0.000E+00 Starting wfc are 264 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 83.5 secs Computing kpt #: 3 total cpu time spent up to now is 123.2 secs Computing kpt #: 4 total cpu time spent up to now is 161.0 secs Computing kpt #: 5 total cpu time spent up to now is 197.7 secs Computing kpt #: 6 total cpu time spent up to now is 236.7 secs Computing kpt #: 7 total cpu time spent up to now is 269.4 secs Computing kpt #: 8 total cpu time spent up to now is 307.4 secs Computing kpt #: 9 total cpu time spent up to now is 342.0 secs Computing kpt #: 10 total cpu time spent up to now is 374.5 secs Computing kpt #: 11 total cpu time spent up to now is 413.4 secs Computing kpt #: 12 total cpu time spent up to now is 451.7 secs Computing kpt #: 13 total cpu time spent up to now is 489.3 secs Computing kpt #: 14 total cpu time spent up to now is 529.6 secs Computing kpt #: 15 total cpu time spent up to now is 565.7 secs Computing kpt #: 16 total cpu time spent up to now is 603.9 secs Computing kpt #: 17 total cpu time spent up to now is 644.3 secs Computing kpt #: 18 total cpu time spent up to now is 681.6 secs Computing kpt #: 19 total cpu time spent up to now is 717.8 secs Computing kpt #: 20 total cpu time spent up to now is 751.1 secs Computing kpt #: 21 total cpu time spent up to now is 784.2 secs Computing kpt #: 22 total cpu time spent up to now is 822.4 secs Computing kpt #: 23 total cpu time spent up to now is 858.3 secs Computing kpt #: 24 total cpu time spent up to now is 898.8 secs Computing kpt #: 25 total cpu time spent up to now is 931.5 secs Computing kpt #: 26 total cpu time spent up to now is 968.4 secs Computing kpt #: 27 total cpu time spent up to now is 1003.1 secs Computing kpt #: 28 total cpu time spent up to now is 1035.6 secs Computing kpt #: 29 total cpu time spent up to now is 1069.4 secs Computing kpt #: 30 total cpu time spent up to now is 1106.1 secs Computing kpt #: 31 total cpu time spent up to now is 1144.0 secs Computing kpt #: 32 total cpu time spent up to now is 1181.1 secs Computing kpt #: 33 total cpu time spent up to now is 1219.4 secs Computing kpt #: 34 total cpu time spent up to now is 1256.9 secs Computing kpt #: 35 total cpu time spent up to now is 1294.9 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1337.0 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1379.8 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1422.6 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1463.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1506.5 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1548.4 secs Computing kpt #: 42 total cpu time spent up to now is 1585.4 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1627.5 secs Computing kpt #: 44 total cpu time spent up to now is 1665.1 secs Computing kpt #: 45 total cpu time spent up to now is 1703.3 secs Computing kpt #: 46 total cpu time spent up to now is 1741.4 secs Computing kpt #: 47 total cpu time spent up to now is 1779.4 secs Computing kpt #: 48 total cpu time spent up to now is 1817.3 secs Computing kpt #: 49 total cpu time spent up to now is 1854.5 secs Computing kpt #: 50 total cpu time spent up to now is 1892.8 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1934.7 secs Computing kpt #: 52 total cpu time spent up to now is 1974.3 secs Computing kpt #: 53 total cpu time spent up to now is 2012.5 secs Computing kpt #: 54 total cpu time spent up to now is 2045.6 secs Computing kpt #: 55 total cpu time spent up to now is 2085.1 secs Computing kpt #: 56 total cpu time spent up to now is 2122.1 secs Computing kpt #: 57 total cpu time spent up to now is 2159.8 secs Computing kpt #: 58 total cpu time spent up to now is 2198.1 secs Computing kpt #: 59 total cpu time spent up to now is 2234.4 secs Computing kpt #: 60 total cpu time spent up to now is 2269.6 secs Computing kpt #: 61 total cpu time spent up to now is 2302.5 secs Computing kpt #: 62 total cpu time spent up to now is 2336.0 secs Computing kpt #: 63 total cpu time spent up to now is 2373.2 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2415.9 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2457.9 secs Computing kpt #: 66 total cpu time spent up to now is 2495.8 secs Computing kpt #: 67 total cpu time spent up to now is 2529.2 secs Computing kpt #: 68 total cpu time spent up to now is 2565.8 secs Computing kpt #: 69 total cpu time spent up to now is 2603.5 secs Computing kpt #: 70 total cpu time spent up to now is 2642.0 secs Computing kpt #: 71 total cpu time spent up to now is 2681.6 secs Computing kpt #: 72 total cpu time spent up to now is 2718.2 secs Computing kpt #: 73 total cpu time spent up to now is 2758.0 secs Computing kpt #: 74 total cpu time spent up to now is 2796.3 secs Computing kpt #: 75 total cpu time spent up to now is 2833.9 secs Computing kpt #: 76 total cpu time spent up to now is 2872.9 secs Computing kpt #: 77 total cpu time spent up to now is 2907.5 secs Computing kpt #: 78 total cpu time spent up to now is 2947.2 secs Computing kpt #: 79 total cpu time spent up to now is 2983.0 secs Computing kpt #: 80 total cpu time spent up to now is 3021.7 secs Computing kpt #: 81 total cpu time spent up to now is 3060.2 secs Computing kpt #: 82 total cpu time spent up to now is 3098.4 secs Computing kpt #: 83 total cpu time spent up to now is 3136.3 secs Computing kpt #: 84 total cpu time spent up to now is 3175.1 secs Computing kpt #: 85 total cpu time spent up to now is 3213.6 secs Computing kpt #: 86 total cpu time spent up to now is 3250.0 secs Computing kpt #: 87 total cpu time spent up to now is 3288.8 secs Computing kpt #: 88 total cpu time spent up to now is 3322.4 secs Computing kpt #: 89 total cpu time spent up to now is 3357.4 secs Computing kpt #: 90 total cpu time spent up to now is 3395.9 secs Computing kpt #: 91 total cpu time spent up to now is 3431.9 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3474.1 secs Computing kpt #: 93 total cpu time spent up to now is 3512.0 secs Computing kpt #: 94 total cpu time spent up to now is 3548.7 secs Computing kpt #: 95 total cpu time spent up to now is 3582.8 secs Computing kpt #: 96 total cpu time spent up to now is 3617.5 secs Computing kpt #: 97 total cpu time spent up to now is 3650.7 secs Computing kpt #: 98 total cpu time spent up to now is 3685.3 secs Computing kpt #: 99 total cpu time spent up to now is 3719.5 secs Computing kpt #: 100 total cpu time spent up to now is 3752.3 secs Computing kpt #: 101 total cpu time spent up to now is 3787.3 secs Computing kpt #: 102 total cpu time spent up to now is 3820.2 secs Computing kpt #: 103 total cpu time spent up to now is 3854.3 secs Computing kpt #: 104 total cpu time spent up to now is 3892.3 secs Computing kpt #: 105 total cpu time spent up to now is 3925.5 secs Computing kpt #: 106 total cpu time spent up to now is 3963.8 secs Computing kpt #: 107 total cpu time spent up to now is 4005.5 secs Computing kpt #: 108 total cpu time spent up to now is 4043.8 secs Computing kpt #: 109 total cpu time spent up to now is 4079.6 secs Computing kpt #: 110 total cpu time spent up to now is 4116.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4159.8 secs Computing kpt #: 112 total cpu time spent up to now is 4201.0 secs Computing kpt #: 113 total cpu time spent up to now is 4237.8 secs Computing kpt #: 114 total cpu time spent up to now is 4277.0 secs Computing kpt #: 115 total cpu time spent up to now is 4313.6 secs Computing kpt #: 116 total cpu time spent up to now is 4352.8 secs Computing kpt #: 117 total cpu time spent up to now is 4392.8 secs Computing kpt #: 118 total cpu time spent up to now is 4429.9 secs Computing kpt #: 119 total cpu time spent up to now is 4468.1 secs Computing kpt #: 120 total cpu time spent up to now is 4505.2 secs Computing kpt #: 121 total cpu time spent up to now is 4542.5 secs Computing kpt #: 122 total cpu time spent up to now is 4581.9 secs Computing kpt #: 123 total cpu time spent up to now is 4615.7 secs Computing kpt #: 124 total cpu time spent up to now is 4653.8 secs Computing kpt #: 125 total cpu time spent up to now is 4687.5 secs Computing kpt #: 126 total cpu time spent up to now is 4721.4 secs Computing kpt #: 127 total cpu time spent up to now is 4761.5 secs Computing kpt #: 128 total cpu time spent up to now is 4795.5 secs Computing kpt #: 129 total cpu time spent up to now is 4829.2 secs Computing kpt #: 130 total cpu time spent up to now is 4863.1 secs Computing kpt #: 131 total cpu time spent up to now is 4896.8 secs Computing kpt #: 132 total cpu time spent up to now is 4929.0 secs Computing kpt #: 133 total cpu time spent up to now is 4963.7 secs Computing kpt #: 134 total cpu time spent up to now is 4998.0 secs Computing kpt #: 135 total cpu time spent up to now is 5032.7 secs Computing kpt #: 136 total cpu time spent up to now is 5067.3 secs Computing kpt #: 137 total cpu time spent up to now is 5101.5 secs Computing kpt #: 138 total cpu time spent up to now is 5137.9 secs Computing kpt #: 139 total cpu time spent up to now is 5171.5 secs Computing kpt #: 140 total cpu time spent up to now is 5209.9 secs Computing kpt #: 141 total cpu time spent up to now is 5243.8 secs Computing kpt #: 142 total cpu time spent up to now is 5278.1 secs Computing kpt #: 143 total cpu time spent up to now is 5315.6 secs Computing kpt #: 144 total cpu time spent up to now is 5356.8 secs Computing kpt #: 145 total cpu time spent up to now is 5394.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5437.9 secs Computing kpt #: 147 total cpu time spent up to now is 5471.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5513.5 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5556.9 secs Computing kpt #: 150 total cpu time spent up to now is 5593.3 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5637.0 secs Computing kpt #: 152 total cpu time spent up to now is 5677.9 secs Computing kpt #: 153 total cpu time spent up to now is 5710.5 secs Computing kpt #: 154 total cpu time spent up to now is 5751.0 secs Computing kpt #: 155 total cpu time spent up to now is 5784.1 secs Computing kpt #: 156 total cpu time spent up to now is 5822.9 secs Computing kpt #: 157 total cpu time spent up to now is 5861.8 secs Computing kpt #: 158 total cpu time spent up to now is 5894.4 secs Computing kpt #: 159 total cpu time spent up to now is 5933.2 secs Computing kpt #: 160 total cpu time spent up to now is 5970.7 secs Computing kpt #: 161 total cpu time spent up to now is 6009.1 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6050.7 secs Computing kpt #: 163 total cpu time spent up to now is 6088.3 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6130.6 secs Computing kpt #: 165 total cpu time spent up to now is 6169.5 secs Computing kpt #: 166 total cpu time spent up to now is 6208.5 secs Computing kpt #: 167 total cpu time spent up to now is 6247.2 secs Computing kpt #: 168 total cpu time spent up to now is 6291.4 secs Computing kpt #: 169 total cpu time spent up to now is 6329.4 secs Computing kpt #: 170 total cpu time spent up to now is 6366.9 secs Computing kpt #: 171 total cpu time spent up to now is 6407.2 secs Computing kpt #: 172 total cpu time spent up to now is 6444.2 secs Computing kpt #: 173 total cpu time spent up to now is 6481.0 secs Computing kpt #: 174 total cpu time spent up to now is 6520.4 secs Computing kpt #: 175 total cpu time spent up to now is 6556.6 secs Computing kpt #: 176 total cpu time spent up to now is 6592.3 secs Computing kpt #: 177 total cpu time spent up to now is 6628.6 secs Computing kpt #: 178 total cpu time spent up to now is 6662.6 secs Computing kpt #: 179 total cpu time spent up to now is 6700.8 secs Computing kpt #: 180 total cpu time spent up to now is 6736.8 secs Computing kpt #: 181 total cpu time spent up to now is 6772.7 secs Computing kpt #: 182 total cpu time spent up to now is 6805.8 secs Computing kpt #: 183 total cpu time spent up to now is 6839.6 secs Computing kpt #: 184 total cpu time spent up to now is 6873.7 secs Computing kpt #: 185 total cpu time spent up to now is 6908.0 secs Computing kpt #: 186 total cpu time spent up to now is 6941.5 secs Computing kpt #: 187 total cpu time spent up to now is 6975.8 secs Computing kpt #: 188 total cpu time spent up to now is 7010.0 secs Computing kpt #: 189 total cpu time spent up to now is 7043.3 secs Computing kpt #: 190 total cpu time spent up to now is 7081.2 secs Computing kpt #: 191 total cpu time spent up to now is 7115.5 secs Computing kpt #: 192 total cpu time spent up to now is 7150.6 secs Computing kpt #: 193 total cpu time spent up to now is 7185.9 secs Computing kpt #: 194 total cpu time spent up to now is 7219.1 secs Computing kpt #: 195 total cpu time spent up to now is 7257.1 secs Computing kpt #: 196 total cpu time spent up to now is 7293.8 secs Computing kpt #: 197 total cpu time spent up to now is 7329.7 secs Computing kpt #: 198 total cpu time spent up to now is 7368.8 secs Computing kpt #: 199 total cpu time spent up to now is 7401.8 secs Computing kpt #: 200 total cpu time spent up to now is 7439.3 secs Computing kpt #: 201 total cpu time spent up to now is 7477.2 secs Computing kpt #: 202 total cpu time spent up to now is 7514.3 secs Computing kpt #: 203 total cpu time spent up to now is 7554.3 secs Computing kpt #: 204 total cpu time spent up to now is 7591.4 secs Computing kpt #: 205 total cpu time spent up to now is 7632.0 secs Computing kpt #: 206 total cpu time spent up to now is 7671.4 secs Computing kpt #: 207 total cpu time spent up to now is 7709.4 secs Computing kpt #: 208 total cpu time spent up to now is 7747.9 secs Computing kpt #: 209 total cpu time spent up to now is 7784.9 secs Computing kpt #: 210 total cpu time spent up to now is 7822.0 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7863.7 secs Computing kpt #: 212 total cpu time spent up to now is 7900.9 secs Computing kpt #: 213 total cpu time spent up to now is 7937.1 secs Computing kpt #: 214 total cpu time spent up to now is 7973.7 secs Computing kpt #: 215 total cpu time spent up to now is 8009.1 secs Computing kpt #: 216 total cpu time spent up to now is 8045.9 secs Computing kpt #: 217 total cpu time spent up to now is 8083.8 secs Computing kpt #: 218 total cpu time spent up to now is 8120.1 secs Computing kpt #: 219 total cpu time spent up to now is 8157.2 secs Computing kpt #: 220 total cpu time spent up to now is 8194.8 secs Computing kpt #: 221 total cpu time spent up to now is 8231.4 secs Computing kpt #: 222 total cpu time spent up to now is 8269.0 secs ethr = 5.56E-09, avg # of iterations = 79.8 total cpu time spent up to now is 8269.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 25793 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.4733-989.4733-984.0379-984.0379-963.2838-963.2838-957.5532-957.5532 -224.7371-224.7371-220.6239-220.6239-219.7813-219.7813-214.8905-214.8905 -184.9220-184.9220-181.1581-181.1581-177.7627-177.7627-176.6533-176.6533 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1222 -23.1222 -22.7354 -22.7354 -19.8372 -19.8372 -19.2066 -19.2066 -15.8184 -15.8184 -15.3469 -15.3469 -15.1222 -15.1222 -14.9399 -14.9399 -14.8220 -14.8220 -14.4151 -14.4151 -14.3110 -14.3110 -14.0520 -14.0520 -13.5224 -13.5224 -13.2306 -13.2306 -12.8390 -12.8390 -12.1553 -12.1553 -10.8435 -10.8435 -10.6829 -10.6829 -10.6227 -10.6227 -10.5669 -10.5669 -10.4910 -10.4910 -10.4512 -10.4512 -10.4073 -10.4073 -10.3914 -10.3914 -10.2619 -10.2619 -10.1925 -10.1925 -10.1560 -10.1560 -10.1103 -10.1103 -5.9413 -5.9413 -5.6723 -5.6723 -5.4705 -5.4705 -5.3487 -5.3487 -5.0470 -5.0470 -4.9166 -4.9166 -4.7011 -4.7011 -4.5185 -4.5185 -4.3850 -4.3850 -4.3030 -4.3030 -4.1627 -4.1627 -4.0145 -4.0145 -3.9461 -3.9461 -3.7897 -3.7897 -3.3831 -3.3831 -3.3169 -3.3169 -3.2565 -3.2565 -3.1320 -3.1320 -3.0228 -3.0228 -2.8382 -2.8382 -2.7644 -2.7644 -2.6369 -2.6369 -2.5409 -2.5409 -2.4211 -2.4211 -2.3033 -2.3033 -2.1332 -2.1332 -2.0235 -2.0235 -1.8230 -1.8230 -1.7697 -1.7697 -1.7003 -1.7003 -1.6147 -1.6147 -1.4325 -1.4325 -1.1492 -1.1492 -1.0388 -1.0388 -0.8353 -0.8353 -0.6359 -0.6359 0.7551 0.7551 1.2073 1.2073 1.6628 1.6628 2.3269 2.3269 2.7893 2.7893 3.0549 3.0549 3.2715 3.2715 3.6781 3.6781 3.8239 3.8239 4.0370 4.0370 4.1305 4.1305 4.2680 4.2680 4.4395 4.4395 4.5321 4.5321 4.6913 4.6913 4.8641 4.8641 k = 0.0130 0.0219-0.0013 ( 25791 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.4813-989.4175-983.9777-983.9265-963.2667-963.2296-957.4795-957.4528 -224.7500-224.7167-220.6285-220.6060-219.7820-219.7716-214.9065-214.8644 -184.9145-184.9013-181.1653-181.1618-177.7582-177.7439-176.6400-176.6359 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1221 -23.1203 -22.7360 -22.7349 -19.8373 -19.8359 -19.2063 -19.2042 -15.8187 -15.8180 -15.3469 -15.3466 -15.1223 -15.1214 -14.9400 -14.9396 -14.8224 -14.8219 -14.4155 -14.4143 -14.3120 -14.3103 -14.0528 -14.0510 -13.5226 -13.5221 -13.2309 -13.2303 -12.8390 -12.8389 -12.1553 -12.1552 -10.8436 -10.8433 -10.6830 -10.6828 -10.6230 -10.6223 -10.5672 -10.5666 -10.4915 -10.4905 -10.4518 -10.4505 -10.4078 -10.4068 -10.3922 -10.3905 -10.2625 -10.2614 -10.1927 -10.1924 -10.1563 -10.1557 -10.1104 -10.1102 -5.9433 -5.9405 -5.6743 -5.6699 -5.4717 -5.4679 -5.3493 -5.3454 -5.0503 -5.0443 -4.9193 -4.9132 -4.7060 -4.6971 -4.5281 -4.5086 -4.3970 -4.3753 -4.3122 -4.2944 -4.1676 -4.1603 -4.0157 -4.0113 -3.9541 -3.9356 -3.7951 -3.7823 -3.3849 -3.3823 -3.3192 -3.3141 -3.2595 -3.2515 -3.1374 -3.1270 -3.0254 -3.0208 -2.8451 -2.8339 -2.7704 -2.7575 -2.6426 -2.6293 -2.5417 -2.5399 -2.4270 -2.4141 -2.3071 -2.2990 -2.1339 -2.1323 -2.0257 -2.0222 -1.8254 -1.8211 -1.7730 -1.7674 -1.7041 -1.6959 -1.6176 -1.6119 -1.4350 -1.4304 -1.1518 -1.1465 -1.0434 -1.0352 -0.8365 -0.8345 -0.6379 -0.6351 0.7563 0.7617 1.2048 1.2157 1.6514 1.6757 2.3195 2.3367 2.7771 2.8050 3.0539 3.0572 3.2650 3.2796 3.6652 3.6893 3.8179 3.8330 4.0249 4.0492 4.1199 4.1410 4.2606 4.2758 4.4247 4.4389 4.5265 4.5511 4.6858 4.6976 4.8546 4.8686 k = 0.0260 0.0438-0.0026 ( 25798 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.0247-989.9488-984.4218-984.3689-963.7493-963.7006-957.6270-957.5872 -224.7807-224.7526-220.6529-220.6358-219.8216-219.8021-214.9215-214.8744 -184.9326-184.9213-181.1823-181.1755-177.7713-177.7616-176.6681-176.6648 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1246 -23.1234 -22.7386 -22.7374 -19.8388 -19.8362 -19.2091 -19.2034 -15.8192 -15.8179 -15.3468 -15.3463 -15.1224 -15.1204 -14.9401 -14.9393 -14.8234 -14.8221 -14.4156 -14.4132 -14.3137 -14.3101 -14.0539 -14.0509 -13.5227 -13.5218 -13.2314 -13.2303 -12.8391 -12.8389 -12.1557 -12.1553 -10.8436 -10.8430 -10.6830 -10.6826 -10.6233 -10.6218 -10.5674 -10.5662 -10.4922 -10.4901 -10.4524 -10.4498 -10.4083 -10.4064 -10.3931 -10.3896 -10.2632 -10.2609 -10.1930 -10.1924 -10.1568 -10.1554 -10.1105 -10.1101 -5.9475 -5.9414 -5.6775 -5.6684 -5.4725 -5.4647 -5.3476 -5.3404 -5.0544 -5.0423 -4.9219 -4.9118 -4.7117 -4.6945 -4.5395 -4.5008 -4.4104 -4.3703 -4.3217 -4.2867 -4.1758 -4.1607 -4.0171 -4.0062 -3.9582 -3.9233 -3.7978 -3.7738 -3.3887 -3.3832 -3.3212 -3.3111 -3.2612 -3.2455 -3.1435 -3.1231 -3.0291 -3.0199 -2.8536 -2.8336 -2.7741 -2.7513 -2.6456 -2.6208 -2.5427 -2.5390 -2.4317 -2.4065 -2.3111 -2.2952 -2.1345 -2.1312 -2.0286 -2.0220 -1.8291 -1.8200 -1.7776 -1.7670 -1.7071 -1.6912 -1.6209 -1.6098 -1.4391 -1.4302 -1.1549 -1.1439 -1.0495 -1.0332 -0.8380 -0.8342 -0.6411 -0.6356 0.7541 0.7704 1.1974 1.2220 1.6378 1.6834 2.3102 2.3427 2.7589 2.8194 3.0503 3.0611 3.2577 3.2868 3.6493 3.6946 3.8142 3.8450 4.0128 4.0600 4.1094 4.1493 4.2527 4.2823 4.4037 4.4216 4.5346 4.5731 4.6796 4.7029 4.8422 4.8655 k = 0.0390 0.0657-0.0039 ( 25801 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.2264-990.1668-984.6301-984.5986-963.8420-963.7996-957.6924-957.6771 -224.8089-224.7511-220.6771-220.6345-219.8381-219.8069-214.9370-214.8703 -184.9353-184.9224-181.1725-181.1656-177.8114-177.7937-176.6663-176.6591 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1248 -23.1240 -22.7425 -22.7389 -19.8406 -19.8366 -19.2088 -19.2017 -15.8197 -15.8180 -15.3463 -15.3456 -15.1219 -15.1187 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2.3016 2.3497 2.7435 2.8379 3.0529 3.0717 3.2535 3.2974 3.6374 3.7002 3.8123 3.8595 4.0019 4.0673 4.1044 4.1567 4.2454 4.2875 4.3824 4.4007 4.5460 4.5915 4.6796 4.7102 4.8292 4.8581 k = 0.0520 0.0876-0.0053 ( 25802 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.5802-990.5330-984.9595-984.8997-964.0404-964.0065-957.7352-957.7078 -224.8227-224.7693-220.6926-220.6519-219.8491-219.8204-214.9486-214.8657 -184.9358-184.9237-181.1695-181.1635-177.7924-177.7783-176.6738-176.6722 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1257 -23.1215 -22.7421 -22.7391 -19.8420 -19.8353 -19.2088 -19.2029 -15.8203 -15.8180 -15.3457 -15.3448 -15.1208 -15.1168 -14.9399 -14.9383 -14.8258 -14.8238 -14.4147 -14.4100 -14.3182 -14.3111 -14.0555 -14.0494 -13.5228 -13.5208 -13.2327 -13.2302 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************************************************************************ ************************************************************************ -989.7549-989.6991-983.7047-983.6580-963.3679-963.3317-956.9530-956.9210 -224.7519-224.6820-220.6327-220.5858-219.8016-219.7534-214.8883-214.8092 -184.8700-184.8576-181.0839-181.0727-177.7267-177.7126-176.6154-176.6048 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1225 -23.1195 -22.7375 -22.7297 -19.8330 -19.8272 -19.2035 -19.1971 -15.8217 -15.8182 -15.3427 -15.3413 -15.1143 -15.1086 -14.9388 -14.9364 -14.8306 -14.8276 -14.4104 -14.4022 -14.3270 -14.3156 -14.0567 -14.0474 -13.5223 -13.5189 -13.2347 -13.2303 -12.8381 -12.8375 -12.1570 -12.1559 -10.8419 -10.8401 -10.6822 -10.6810 -10.6229 -10.6182 -10.5675 -10.5640 -10.4963 -10.4905 -10.4541 -10.4462 -10.4115 -10.4055 -10.3972 -10.3854 -10.2677 -10.2601 -10.1951 -10.1937 -10.1591 -10.1553 -10.1111 -10.1102 -5.9788 -5.9597 -5.6890 -5.6665 -5.4584 -5.4263 -5.3015 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************************************************************************ -989.3133-989.2164-983.1011-983.0728-963.0293-962.9738-956.5958-956.5627 -224.7195-224.6268-220.6153-220.5436-219.7683-219.7291-214.8780-214.7680 -184.8400-184.8258-181.0222-181.0100-177.7051-177.6861-176.5909-176.5765 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1207 -23.1179 -22.7330 -22.7269 -19.8287 -19.8238 -19.2014 -19.1954 -15.8222 -15.8183 -15.3415 -15.3399 -15.1115 -15.1055 -14.9382 -14.9356 -14.8326 -14.8293 -14.4083 -14.3990 -14.3305 -14.3179 -14.0565 -14.0470 -13.5220 -13.5182 -13.2351 -13.2306 -12.8378 -12.8371 -12.1574 -12.1561 -10.8413 -10.8394 -10.6819 -10.6806 -10.6225 -10.6173 -10.5674 -10.5635 -10.4972 -10.4910 -10.4540 -10.4456 -10.4122 -10.4057 -10.3978 -10.3847 -10.2687 -10.2602 -10.1956 -10.1942 -10.1595 -10.1555 -10.1112 -10.1102 -5.9847 -5.9646 -5.6919 -5.6674 -5.4528 -5.4162 -5.2854 -5.2709 -5.0799 -5.0331 -4.9371 -4.9015 -4.7570 -4.7000 -4.5929 -4.5190 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2.2907 2.4611 2.7274 2.8465 3.1606 3.2736 3.3715 3.4371 3.6197 3.7127 3.8301 3.9053 3.9879 4.0150 4.0476 4.0797 4.1920 4.2768 4.4074 4.4583 4.5109 4.6478 4.6991 4.7581 4.8083 4.8949 k = 0.1821 0.3066-0.0184 ( 25772 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.7822-989.6632-983.6994-983.6332-963.1986-963.1013-955.9619-955.8595 -224.7759-224.6548-220.6202-220.5423-219.7776-219.7332-214.8933-214.7361 -184.8251-184.8160-181.0756-181.0625-177.7177-177.6949-176.5378-176.5140 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1169 -23.1137 -22.7348 -22.7290 -19.8371 -19.8293 -19.1976 -19.1942 -15.8248 -15.8220 -15.3346 -15.3331 -15.0934 -15.0887 -14.9337 -14.9321 -14.8471 -14.8446 -14.3916 -14.3771 -14.3554 -14.3386 -14.0545 -14.0456 -13.5204 -13.5145 -13.2413 -13.2345 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4.4135 4.4710 4.5048 4.6517 4.6917 4.7651 4.8116 4.8995 k = 0.1951 0.3285-0.0197 ( 25782 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.5422-990.4142-984.0743-984.0192-963.5796-963.4895-956.2207-956.1298 -224.8459-224.6769-220.6702-220.5508-219.8065-219.7592-214.9227-214.7595 -184.8527-184.8442-181.1222-181.1101-177.7716-177.7449-176.5410-176.5131 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1223 -23.1168 -22.7365 -22.7319 -19.8394 -19.8330 -19.2008 -19.1971 -15.8253 -15.8227 -15.3342 -15.3326 -15.0911 -15.0872 -14.9330 -14.9319 -14.8495 -14.8472 -14.3884 -14.3733 -14.3598 -14.3429 -14.0534 -14.0458 -13.5202 -13.5141 -13.2423 -13.2353 -12.8351 -12.8345 -12.1603 -12.1576 -10.8372 -10.8344 -10.6802 -10.6777 -10.6196 -10.6119 -10.5645 -10.5613 -10.5057 -10.4960 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************************************************************************ -991.0253-990.8660-984.3841-984.3028-963.7865-963.6243-956.5043-956.3435 -224.8473-224.7373-220.6636-220.5985-219.8269-219.7659-214.9533-214.8037 -184.8928-184.8858-181.1996-181.1947-177.8006-177.7855-176.5451-176.5360 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4789 -26.4789 -23.1258 -23.1199 -22.7384 -22.7341 -19.8437 -19.8370 -19.2074 -19.1982 -15.8253 -15.8245 -15.3334 -15.3319 -15.0870 -15.0839 -14.9327 -14.9314 -14.8535 -14.8523 -14.3787 -14.3741 -14.3604 -14.3562 -14.0479 -14.0434 -13.5195 -13.5130 -13.2446 -13.2369 -12.8338 -12.8332 -12.1606 -12.1577 -10.8360 -10.8331 -10.6805 -10.6768 -10.6183 -10.6105 -10.5637 -10.5609 -10.5106 -10.4970 -10.4470 -10.4417 -10.4221 -10.4119 -10.3979 -10.3806 -10.2779 -10.2652 -10.2009 -10.1972 -10.1616 -10.1598 -10.1125 -10.1106 -6.0120 -6.0047 -5.7145 -5.6863 -5.4011 -5.3561 -5.1993 -5.1550 -5.0693 -5.0250 -5.0107 -4.9147 -4.8084 -4.7375 -4.6717 -4.5884 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2.3145 2.4207 2.7042 2.7880 3.1485 3.2571 3.3234 3.4597 3.5766 3.6408 3.7888 3.8901 3.9567 4.0230 4.1035 4.1620 4.1950 4.2957 4.3835 4.4841 4.5565 4.6089 4.6656 4.7393 4.8151 4.8567 k = 0.3121 0.5257-0.0315 ( 25806 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.3189-990.1930-984.4744-984.4482-964.8983-964.8031-957.5324-957.4197 -224.8186-224.7306-220.7148-220.6345-219.8850-219.8354-214.9779-214.8984 -184.9514-184.9429-181.1911-181.1761-177.8533-177.8222-176.6449-176.6300 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4789 -26.4789 -23.1270 -23.1242 -22.7450 -22.7380 -19.8443 -19.8389 -19.2156 -19.2091 -15.8254 -15.8224 -15.3382 -15.3362 -15.0947 -15.0864 -14.9397 -14.9353 -14.8504 -14.8465 -14.3990 -14.3847 -14.3553 -14.3391 -14.0351 -14.0286 -13.5186 -13.5127 -13.2457 -13.2387 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4.3677 4.4807 4.5476 4.6081 4.6755 4.7284 4.8152 4.8487 k = 0.3251 0.5476-0.0328 ( 25818 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.9301-990.7759-984.9860-984.9008-965.4750-965.3534-957.9020-957.7583 -224.8708-224.7604-220.7627-220.6690-219.9269-219.8539-215.0065-214.9400 -184.9952-184.9782-181.2226-181.2181-177.9055-177.8655-176.6759-176.6503 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1320 -23.1276 -22.7492 -22.7413 -19.8468 -19.8424 -19.2211 -19.2111 -15.8255 -15.8219 -15.3398 -15.3377 -15.0978 -15.0888 -14.9414 -14.9368 -14.8487 -14.8445 -14.4029 -14.3892 -14.3519 -14.3362 -14.0328 -14.0258 -13.5186 -13.5128 -13.2460 -13.2390 -12.8313 -12.8303 -12.1588 -12.1556 -10.8354 -10.8324 -10.6832 -10.6774 -10.6160 -10.6090 -10.5675 -10.5596 -10.5204 -10.4978 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2.3340 2.4368 2.6807 2.7821 3.0719 3.1567 3.3054 3.3789 3.4978 3.5884 3.7706 3.8327 3.8867 3.9613 4.0847 4.1250 4.1589 4.2427 4.3415 4.3832 4.5262 4.5485 4.6219 4.6793 4.7928 4.9105 k = 0.3445 0.5802 0.1451 ( 25832 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.8071-991.6904-985.7259-985.6245-965.4034-965.2934-958.1351-958.0128 -224.9215-224.8362-220.7932-220.7086-219.9334-219.8979-215.0398-214.9549 -185.0577-185.0453-181.2960-181.2863-177.8932-177.8596-176.7389-176.7162 -26.7712 -26.7712 -26.6685 -26.6685 -26.5206 -26.5206 -26.4791 -26.4791 -23.1264 -23.1240 -22.7677 -22.7589 -19.8397 -19.8356 -19.2281 -19.2218 -15.8293 -15.8247 -15.3405 -15.3344 -15.1418 -15.1132 -14.9356 -14.9341 -14.8251 -14.8041 -14.4151 -14.4013 -14.3447 -14.3294 -14.0266 -14.0212 -13.5231 -13.5168 -13.2438 -13.2393 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4.3331 4.3759 4.5227 4.5293 4.6136 4.6660 4.7924 4.9194 k = 0.3454 0.5818 0.1707 ( 25822 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.7663-991.6904-985.4336-985.3548-964.8773-964.7567-957.5588-957.4116 -224.8995-224.8261-220.7709-220.6819-219.9009-219.8667-214.9940-214.9186 -185.0303-185.0149-181.2510-181.2412-177.8740-177.8414-176.7085-176.6835 -26.7712 -26.7712 -26.6685 -26.6685 -26.5206 -26.5206 -26.4791 -26.4791 -23.1225 -23.1187 -22.7685 -22.7580 -19.8337 -19.8301 -19.2250 -19.2206 -15.8300 -15.8253 -15.3392 -15.3328 -15.1477 -15.1192 -14.9350 -14.9335 -14.8186 -14.7976 -14.4156 -14.4018 -14.3444 -14.3292 -14.0255 -14.0199 -13.5241 -13.5177 -13.2432 -13.2389 -12.8321 -12.8293 -12.1576 -12.1543 -10.8330 -10.8311 -10.6861 -10.6805 -10.6177 -10.6064 -10.5684 -10.5609 -10.5209 -10.5005 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************************************************************************ -990.6067-990.5157-984.2755-984.1817-964.0319-963.9026-956.8364-956.6814 -224.8211-224.7512-220.6846-220.6192-219.8402-219.7868-214.9499-214.8580 -184.9511-184.9377-181.2024-181.1935-177.8028-177.7764-176.6500-176.6260 -26.7712 -26.7712 -26.6685 -26.6685 -26.5205 -26.5205 -26.4792 -26.4792 -23.1129 -23.1067 -22.7683 -22.7607 -19.8173 -19.8146 -19.2237 -19.2207 -15.8321 -15.8275 -15.3348 -15.3288 -15.1630 -15.1383 -14.9341 -14.9326 -14.7985 -14.7812 -14.4156 -14.4026 -14.3447 -14.3296 -14.0227 -14.0171 -13.5270 -13.5207 -13.2417 -13.2371 -12.8316 -12.8287 -12.1570 -12.1537 -10.8321 -10.8295 -10.6870 -10.6826 -10.6170 -10.6054 -10.5670 -10.5608 -10.5202 -10.5033 -10.4518 -10.4414 -10.4294 -10.4135 -10.3976 -10.3826 -10.2767 -10.2666 -10.1961 -10.1797 -10.1749 -10.1554 -10.1241 -10.1191 -6.0619 -6.0252 -5.6357 -5.5963 -5.4073 -5.3397 -5.2090 -5.1635 -5.0394 -4.9958 -4.9293 -4.8624 -4.7745 -4.7379 -4.6411 -4.5518 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2.3730 2.4870 2.7552 2.8691 3.1517 3.2125 3.3294 3.3765 3.5018 3.5495 3.6249 3.6979 3.7644 3.8546 3.9334 3.9977 4.0690 4.1465 4.2716 4.3526 4.4187 4.5134 4.6238 4.7083 4.7561 4.9272 k = 0.3537 0.5956 0.4012 ( 25810 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.2044-990.1528-984.6408-984.5509-964.2860-964.2099-958.0280-957.9065 -224.7994-224.7803-220.7000-220.6586-219.8688-219.8279-214.9832-214.9275 -184.9548-184.9383-181.2156-181.2007-177.8434-177.8108-176.6982-176.6782 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1005 -23.0968 -22.7832 -22.7786 -19.8113 -19.8087 -19.2319 -19.2307 -15.8351 -15.8312 -15.3273 -15.3254 -15.1725 -15.1678 -14.9356 -14.9343 -14.7756 -14.7693 -14.4120 -14.4011 -14.3468 -14.3326 -14.0216 -14.0148 -13.5305 -13.5251 -13.2414 -13.2349 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4.2646 4.3481 4.4195 4.5106 4.6353 4.7050 4.7600 4.9069 k = 0.3537 0.5956 0.4012 ( 25810 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.2044-990.1528-984.6408-984.5509-964.2860-964.2099-958.0280-957.9065 -224.7994-224.7803-220.7000-220.6586-219.8688-219.8279-214.9832-214.9275 -184.9548-184.9383-181.2156-181.2007-177.8434-177.8108-176.6982-176.6782 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1005 -23.0968 -22.7832 -22.7786 -19.8113 -19.8087 -19.2319 -19.2307 -15.8351 -15.8312 -15.3273 -15.3254 -15.1725 -15.1678 -14.9356 -14.9343 -14.7756 -14.7693 -14.4120 -14.4011 -14.3468 -14.3326 -14.0216 -14.0148 -13.5305 -13.5251 -13.2414 -13.2349 -12.8304 -12.8290 -12.1565 -12.1535 -10.8307 -10.8281 -10.6877 -10.6858 -10.6136 -10.6038 -10.5660 -10.5590 -10.5190 -10.5073 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4.2934 4.3435 4.4259 4.5722 4.6006 4.7484 4.8549 4.8869 k = 0.2581 0.4347 0.4695 ( 25838 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.1852-991.0585-984.9570-984.9466-965.7003-965.6366-958.2271-958.1207 -224.8830-224.8468-220.7369-220.7045-219.9557-219.8943-215.0579-214.9796 -185.0117-185.0024-181.2917-181.2874-177.9381-177.9075-176.7250-176.7038 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1124 -23.1081 -22.7927 -22.7864 -19.8226 -19.8150 -19.2490 -19.2404 -15.8379 -15.8372 -15.3216 -15.3195 -15.1552 -15.1485 -14.9369 -14.9357 -14.7836 -14.7779 -14.3878 -14.3838 -14.3556 -14.3513 -14.0444 -14.0406 -13.5311 -13.5241 -13.2463 -13.2366 -12.8305 -12.8297 -12.1585 -12.1555 -10.8315 -10.8295 -10.6877 -10.6833 -10.6133 -10.6073 -10.5640 -10.5553 -10.5143 -10.5027 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************************************************************************ -992.7308-992.5908-986.1398-986.1079-966.5816-966.4695-959.3803-959.2625 -225.0100-224.9231-220.8626-220.7638-220.0232-219.9740-215.1308-215.0693 -185.1154-185.1010-181.3720-181.3637-178.0110-177.9784-176.8075-176.7763 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1185 -23.1144 -22.7994 -22.7948 -19.8320 -19.8246 -19.2643 -19.2499 -15.8388 -15.8370 -15.3216 -15.3197 -15.1567 -15.1503 -14.9367 -14.9357 -14.7841 -14.7786 -14.3910 -14.3811 -14.3576 -14.3473 -14.0529 -14.0460 -13.5301 -13.5231 -13.2485 -13.2388 -12.8315 -12.8307 -12.1592 -12.1563 -10.8315 -10.8295 -10.6874 -10.6824 -10.6129 -10.6079 -10.5632 -10.5550 -10.5118 -10.5007 -10.4571 -10.4507 -10.4263 -10.4117 -10.4044 -10.3865 -10.2729 -10.2651 -10.1903 -10.1807 -10.1593 -10.1531 -10.1259 -10.1213 -6.1258 -6.1114 -5.6554 -5.6315 -5.4374 -5.3888 -5.1637 -5.1181 -5.0167 -4.9607 -4.9446 -4.8676 -4.8004 -4.7603 -4.6698 -4.6329 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2.2436 2.3928 2.7216 2.7576 3.1299 3.1762 3.3348 3.3756 3.5117 3.5650 3.6649 3.7586 3.8314 3.9247 3.9781 4.0699 4.1096 4.1786 4.2571 4.3652 4.3884 4.4800 4.5742 4.7204 4.7924 4.9021 k = 0.1420 0.2391 0.4695 ( 25835 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.6318-991.5505-985.2570-985.1858-965.2419-965.1883-958.9157-958.8332 -224.9195-224.8327-220.7817-220.7213-219.9414-219.8693-215.0587-214.9783 -184.9792-184.9703-181.2300-181.2147-177.8960-177.8713-176.7565-176.7346 -26.7712 -26.7712 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1108 -23.1057 -22.7886 -22.7831 -19.8159 -19.8126 -19.2464 -19.2411 -15.8355 -15.8312 -15.3236 -15.3207 -15.1699 -15.1647 -14.9351 -14.9341 -14.7779 -14.7705 -14.4077 -14.3954 -14.3439 -14.3275 -14.0557 -14.0444 -13.5255 -13.5199 -13.2498 -13.2421 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4.2477 4.3483 4.3918 4.4924 4.5733 4.7112 4.7786 4.8991 k = 0.1291 0.2173 0.4695 ( 25823 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.9771-990.8610-984.8201-984.7526-964.8537-964.7634-958.5817-958.4458 -224.8834-224.7808-220.7595-220.6728-219.9105-219.8367-215.0182-214.9543 -184.9445-184.9343-181.2031-181.1884-177.8642-177.8390-176.7225-176.6967 -26.7712 -26.7712 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1063 -23.1029 -22.7840 -22.7813 -19.8123 -19.8090 -19.2412 -19.2349 -15.8343 -15.8303 -15.3241 -15.3211 -15.1727 -15.1680 -14.9346 -14.9336 -14.7763 -14.7690 -14.4102 -14.3988 -14.3403 -14.3247 -14.0545 -14.0439 -13.5246 -13.5193 -13.2497 -13.2425 -12.8329 -12.8325 -12.1578 -12.1559 -10.8304 -10.8284 -10.6857 -10.6811 -10.6105 -10.6065 -10.5607 -10.5553 -10.5042 -10.4970 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************************************************************************ ************************************************************************ -990.5592-990.3865-985.0257-984.8289-965.4722-965.3041-959.0418-958.8073 -224.8956-224.7426-220.7877-220.6558-219.9505-219.8453-215.0370-214.9881 -184.9456-184.9345-181.2183-181.2053-177.8632-177.8304-176.7394-176.7105 -26.7712 -26.7712 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1038 -23.1018 -22.7874 -22.7807 -19.8123 -19.8086 -19.2443 -19.2327 -15.8323 -15.8288 -15.3257 -15.3229 -15.1788 -15.1750 -14.9337 -14.9328 -14.7742 -14.7674 -14.4151 -14.4059 -14.3336 -14.3202 -14.0531 -14.0436 -13.5230 -13.5184 -13.2501 -13.2440 -12.8335 -12.8333 -12.1575 -12.1560 -10.8298 -10.8280 -10.6850 -10.6810 -10.6095 -10.6059 -10.5599 -10.5556 -10.5019 -10.4961 -10.4593 -10.4540 -10.4221 -10.4108 -10.3983 -10.3899 -10.2728 -10.2676 -10.1902 -10.1828 -10.1610 -10.1560 -10.1266 -10.1238 -6.0467 -6.0150 -5.6135 -5.5710 -5.4502 -5.4224 -5.2260 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************************************************************************ -991.2420-991.0810-985.4138-985.2457-965.7506-965.6108-959.4521-959.2420 -224.9379-224.7812-220.8237-220.6853-219.9759-219.8809-215.0669-215.0221 -185.0100-184.9953-181.2638-181.2486-177.9159-177.8849-176.7657-176.7383 -26.7712 -26.7712 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1080 -23.1053 -22.7903 -22.7846 -19.8166 -19.8116 -19.2483 -19.2377 -15.8317 -15.8283 -15.3268 -15.3240 -15.1818 -15.1786 -14.9332 -14.9324 -14.7737 -14.7671 -14.4174 -14.4093 -14.3305 -14.3185 -14.0527 -14.0443 -13.5223 -13.5182 -13.2505 -13.2451 -12.8339 -12.8337 -12.1575 -12.1561 -10.8295 -10.8279 -10.6846 -10.6810 -10.6090 -10.6057 -10.5596 -10.5558 -10.5008 -10.4957 -10.4597 -10.4545 -10.4213 -10.4111 -10.3976 -10.3902 -10.2728 -10.2681 -10.1900 -10.1833 -10.1612 -10.1566 -10.1267 -10.1242 -6.0339 -6.0031 -5.6084 -5.5681 -5.4524 -5.4271 -5.2421 -5.2162 -5.0946 -5.0276 -4.8904 -4.8610 -4.7865 -4.7221 -4.6590 -4.5978 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2.2377 2.2804 2.7063 2.7510 3.0696 3.1066 3.3566 3.3925 3.4246 3.4498 3.5717 3.6248 3.7267 3.8067 3.9719 4.0332 4.1443 4.1871 4.2236 4.2742 4.4775 4.5060 4.5474 4.5987 4.6265 4.6770 k = 0.0129 0.0217 0.4695 ( 25837 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.3696-990.3648-985.1600-985.1441-965.0681-965.0460-959.5505-959.5389 -224.8408-224.8250-220.7428-220.7327-219.9249-219.9229-215.0395-215.0344 -185.0245-185.0198-181.2556-181.2439-177.8695-177.8601-176.7663-176.7538 -26.7712 -26.7712 -26.6687 -26.6687 -26.5204 -26.5204 -26.4792 -26.4792 -23.1050 -23.1025 -22.7925 -22.7891 -19.8165 -19.8129 -19.2444 -19.2407 -15.8274 -15.8267 -15.3288 -15.3281 -15.1912 -15.1907 -14.9312 -14.9310 -14.7688 -14.7673 -14.4232 -14.4218 -14.3170 -14.3151 -14.0467 -14.0455 -13.5185 -13.5180 -13.2496 -13.2491 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4.2363 4.2654 4.4912 4.5092 4.5527 4.5766 4.6216 4.6525 k = 0.0000 0.0000 0.4695 ( 25828 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.7941-989.7941-984.6260-984.6260-964.6406-964.6406-959.2376-959.2376 -224.7953-224.7953-220.7025-220.7025-219.8929-219.8929-215.0151-215.0151 -184.9956-184.9956-181.2207-181.2207-177.8502-177.8502-176.7209-176.7209 -26.7712 -26.7712 -26.6687 -26.6687 -26.5204 -26.5204 -26.4792 -26.4792 -23.1022 -23.1022 -22.7876 -22.7876 -19.8121 -19.8121 -19.2403 -19.2403 -15.8268 -15.8268 -15.3283 -15.3283 -15.1911 -15.1911 -14.9311 -14.9311 -14.7677 -14.7677 -14.4226 -14.4226 -14.3158 -14.3158 -14.0456 -14.0456 -13.5182 -13.5182 -13.2492 -13.2492 -12.8347 -12.8347 -12.1565 -12.1565 -10.8279 -10.8279 -10.6821 -10.6821 -10.6058 -10.6058 -10.5573 -10.5573 -10.4954 -10.4954 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2.3663 2.4795 2.7236 2.9134 3.1644 3.2139 3.3325 3.4228 3.5276 3.5953 3.6550 3.7314 3.7745 3.8905 3.9626 4.0413 4.1116 4.2271 4.2907 4.3380 4.4284 4.5458 4.6497 4.7102 4.8134 4.9007 k = 0.6764 0.0002 0.3756 ( 25814 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.0768-989.9403-984.3053-984.2352-964.4871-964.3936-957.8192-957.6768 -224.8357-224.7504-220.6914-220.6285-219.8903-219.8133-215.0135-214.9113 -184.9393-184.9198-181.2606-181.2445-177.8379-177.7998-176.6971-176.6704 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1054 -23.0998 -22.7818 -22.7750 -19.8180 -19.8070 -19.2422 -19.2302 -15.8360 -15.8330 -15.3271 -15.3212 -15.1644 -15.1529 -14.9377 -14.9361 -14.7842 -14.7752 -14.4020 -14.3907 -14.3528 -14.3386 -14.0300 -14.0240 -13.5305 -13.5245 -13.2435 -13.2343 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4.3164 4.3404 4.4348 4.5502 4.6619 4.7065 4.8156 4.8739 k = 0.6755-0.0013 0.3500 ( 25824 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.3028-990.1740-984.4335-984.4060-964.8322-964.7387-958.2994-958.1558 -224.8479-224.7886-220.7093-220.6573-219.9076-219.8473-215.0391-214.9505 -184.9500-184.9324-181.2913-181.2754-177.8567-177.8273-176.7294-176.7072 -26.7711 -26.7711 -26.6686 -26.6686 -26.5205 -26.5204 -26.4792 -26.4792 -23.1090 -23.1047 -22.7831 -22.7755 -19.8217 -19.8119 -19.2454 -19.2347 -15.8357 -15.8325 -15.3284 -15.3216 -15.1634 -15.1492 -14.9384 -14.9366 -14.7888 -14.7779 -14.4015 -14.3906 -14.3528 -14.3387 -14.0314 -14.0244 -13.5300 -13.5239 -13.2441 -13.2346 -12.8298 -12.8289 -12.1576 -12.1545 -10.8316 -10.8289 -10.6878 -10.6841 -10.6119 -10.6055 -10.5657 -10.5562 -10.5161 -10.5074 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************************************************************************ ************************************************************************ -990.9905-990.9086-985.1106-985.0584-965.0186-964.9096-958.3962-958.2514 -224.8516-224.8277-220.7386-220.7059-219.9142-219.8692-215.0128-214.9595 -184.9725-184.9572-181.2431-181.2304-177.8772-177.8425-176.7457-176.7173 -26.7711 -26.7711 -26.6685 -26.6685 -26.5205 -26.5205 -26.4792 -26.4792 -23.1116 -23.1092 -22.7788 -22.7730 -19.8251 -19.8175 -19.2364 -19.2283 -15.8343 -15.8310 -15.3307 -15.3227 -15.1579 -15.1384 -14.9398 -14.9373 -14.7995 -14.7843 -14.4001 -14.3897 -14.3526 -14.3387 -14.0313 -14.0236 -13.5285 -13.5223 -13.2447 -13.2348 -12.8301 -12.8288 -12.1576 -12.1546 -10.8324 -10.8290 -10.6873 -10.6830 -10.6111 -10.6063 -10.5657 -10.5562 -10.5154 -10.5078 -10.4565 -10.4486 -10.4297 -10.4156 -10.4046 -10.3828 -10.2773 -10.2671 -10.1955 -10.1762 -10.1675 -10.1516 -10.1232 -10.1178 -6.0864 -6.0735 -5.6699 -5.6321 -5.4052 -5.3176 -5.1958 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************************************************************************ -990.2283-990.1175-984.5189-984.4399-965.0083-964.8858-957.8575-957.7076 -224.8300-224.7524-220.7050-220.6620-219.9103-219.8388-214.9653-214.9340 -184.9157-184.8998-181.1834-181.1725-177.8608-177.8231-176.7072-176.6794 -26.7712 -26.7712 -26.6685 -26.6685 -26.5205 -26.5205 -26.4792 -26.4792 -23.1096 -23.1083 -22.7725 -22.7697 -19.8230 -19.8166 -19.2291 -19.2235 -15.8333 -15.8299 -15.3315 -15.3236 -15.1534 -15.1323 -14.9404 -14.9376 -14.8048 -14.7883 -14.3992 -14.3891 -14.3525 -14.3386 -14.0308 -14.0225 -13.5275 -13.5212 -13.2448 -13.2347 -12.8300 -12.8286 -12.1576 -12.1544 -10.8329 -10.8292 -10.6870 -10.6825 -10.6109 -10.6067 -10.5657 -10.5563 -10.5155 -10.5075 -10.4555 -10.4483 -10.4304 -10.4157 -10.4038 -10.3829 -10.2777 -10.2675 -10.1967 -10.1762 -10.1688 -10.1514 -10.1219 -10.1166 -6.0791 -6.0651 -5.6739 -5.6386 -5.4050 -5.3134 -5.1999 -5.1567 -5.0493 -5.0173 -4.9573 -4.9197 -4.8154 -4.7537 -4.6455 -4.6251 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2.2600 2.4279 2.6820 2.8256 3.0719 3.1015 3.3124 3.3816 3.5309 3.5921 3.8183 3.8711 3.9284 4.0445 4.0917 4.1601 4.1802 4.2910 4.3773 4.4487 4.5371 4.6058 4.6581 4.7235 4.8053 4.8325 k = 0.6245-0.0872-0.0263 ( 25804 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.8814-990.7604-984.9588-984.9074-964.5831-964.4918-957.4351-957.2785 -224.8441-224.7692-220.7238-220.6476-219.8868-219.8014-214.9544-214.9195 -184.9436-184.9298-181.2015-181.1887-177.8248-177.7923-176.6467-176.6297 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1259 -23.1203 -22.7474 -22.7364 -19.8439 -19.8376 -19.2132 -19.2039 -15.8230 -15.8189 -15.3456 -15.3438 -15.1070 -15.0976 -14.9477 -14.9432 -14.8391 -14.8352 -14.4140 -14.4033 -14.3389 -14.3263 -14.0204 -14.0131 -13.5180 -13.5134 -13.2445 -13.2387 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4.3879 4.4421 4.5393 4.6049 4.6507 4.7214 4.8092 4.8307 k = 0.6121-0.1082-0.0236 ( 25812 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.6351-991.5417-985.2228-985.2018-964.8545-964.7764-958.0064-957.8623 -224.8871-224.7947-220.7696-220.6725-219.9179-219.8394-214.9731-214.9464 -184.9677-184.9586-181.2169-181.2020-177.8339-177.8089-176.6857-176.6699 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1273 -23.1226 -22.7464 -22.7390 -19.8453 -19.8396 -19.2165 -19.2089 -15.8223 -15.8186 -15.3471 -15.3457 -15.1095 -15.1007 -14.9492 -14.9450 -14.8368 -14.8333 -14.4162 -14.4065 -14.3362 -14.3244 -14.0180 -14.0111 -13.5179 -13.5137 -13.2442 -13.2390 -12.8295 -12.8285 -12.1557 -12.1530 -10.8362 -10.8336 -10.6853 -10.6801 -10.6146 -10.6091 -10.5705 -10.5620 -10.5212 -10.5003 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************************************************************************ ************************************************************************ ************************************************************************ -990.6270-990.5905-984.4074-984.3843-964.2037-964.1331-957.3922-957.2885 -224.8036-224.7521-220.6927-220.6376-219.8586-219.8038-214.9207-214.9105 -184.9155-184.9093-181.1764-181.1602-177.7974-177.7719-176.6339-176.6116 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1227 -23.1183 -22.7420 -22.7359 -19.8409 -19.8361 -19.2086 -19.2031 -15.8213 -15.8177 -15.3483 -15.3469 -15.1110 -15.1026 -14.9504 -14.9465 -14.8342 -14.8310 -14.4178 -14.4092 -14.3332 -14.3226 -14.0147 -14.0082 -13.5177 -13.5139 -13.2435 -13.2388 -12.8290 -12.8281 -12.1547 -12.1523 -10.8364 -10.8340 -10.6855 -10.6807 -10.6142 -10.6092 -10.5708 -10.5628 -10.5207 -10.5012 -10.4493 -10.4425 -10.4297 -10.4171 -10.3926 -10.3837 -10.2778 -10.2722 -10.1997 -10.1958 -10.1634 -10.1589 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************************************************************************ ************************************************************************ -991.0130-990.9695-984.9856-984.9363-965.3083-965.2553-958.3226-958.2388 -224.8193-224.7992-220.7335-220.7073-219.9277-219.8726-214.9981-214.9583 -184.9876-184.9818-181.2323-181.2163-177.8562-177.8314-176.7006-176.6793 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1266 -23.1217 -22.7486 -22.7430 -19.8458 -19.8411 -19.2131 -19.2110 -15.8210 -15.8176 -15.3501 -15.3488 -15.1134 -15.1057 -14.9517 -14.9481 -14.8327 -14.8296 -14.4198 -14.4122 -14.3308 -14.3213 -14.0138 -14.0072 -13.5177 -13.5143 -13.2435 -13.2393 -12.8290 -12.8281 -12.1544 -12.1521 -10.8365 -10.8343 -10.6858 -10.6814 -10.6139 -10.6093 -10.5711 -10.5637 -10.5200 -10.5022 -10.4496 -10.4432 -10.4291 -10.4178 -10.3920 -10.3842 -10.2775 -10.2725 -10.1993 -10.1958 -10.1631 -10.1590 -10.1112 -10.1085 -5.9613 -5.9494 -5.6480 -5.6406 -5.4419 -5.4138 -5.2580 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************************************************************************ -990.4552-990.4194-984.9152-984.8982-964.8485-964.7926-958.0793-957.9988 -224.8109-224.7714-220.7175-220.6878-219.9094-219.8381-214.9626-214.9521 -184.9661-184.9611-181.2128-181.1941-177.8029-177.7874-176.6923-176.6804 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1247 -23.1191 -22.7479 -22.7421 -19.8449 -19.8407 -19.2089 -19.2060 -15.8203 -15.8171 -15.3513 -15.3502 -15.1148 -15.1074 -14.9526 -14.9495 -14.8308 -14.8280 -14.4211 -14.4147 -14.3284 -14.3202 -14.0111 -14.0054 -13.5175 -13.5145 -13.2431 -13.2394 -12.8286 -12.8279 -12.1537 -12.1517 -10.8366 -10.8347 -10.6859 -10.6821 -10.6136 -10.6095 -10.5712 -10.5646 -10.5191 -10.5033 -10.4498 -10.4439 -10.4286 -10.4186 -10.3915 -10.3847 -10.2771 -10.2729 -10.1989 -10.1958 -10.1628 -10.1591 -10.1108 -10.1084 -5.9550 -5.9444 -5.6435 -5.6363 -5.4493 -5.4229 -5.2592 -5.2409 -5.0651 -5.0362 -4.9268 -4.8829 -4.7763 -4.7133 -4.6364 -4.6045 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2.2707 2.2955 2.7460 2.7754 2.9544 2.9577 3.2949 3.3014 3.5210 3.5297 3.8161 3.8300 3.9160 3.9393 4.0953 4.1146 4.1997 4.2315 4.4046 4.4228 4.5292 4.5370 4.6569 4.6713 4.8803 4.8993 k = 0.5000-0.2969 0.0000 ( 25768 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -988.4655-988.4655-982.3499-982.3499-962.7500-962.7500-956.3402-956.3402 -224.6510-224.6510-220.5564-220.5564-219.7356-219.7356-214.8373-214.8373 -184.7783-184.7783-181.0482-181.0482-177.6806-177.6806-176.5648-176.5648 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1131 -23.1131 -22.7317 -22.7317 -19.8320 -19.8320 -19.1952 -19.1952 -15.8161 -15.8161 -15.3539 -15.3539 -15.1158 -15.1158 -14.9544 -14.9544 -14.8235 -14.8235 -14.4228 -14.4228 -14.3188 -14.3188 -14.0006 -14.0006 -13.5159 -13.5159 -13.2400 -13.2400 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4.4186 4.4186 4.5347 4.5347 4.6657 4.6657 4.8944 4.8944 k = 0.5000-0.2969 0.0000 ( 25768 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -988.4655-988.4655-982.3499-982.3499-962.7500-962.7500-956.3402-956.3402 -224.6510-224.6510-220.5564-220.5564-219.7356-219.7356-214.8373-214.8373 -184.7783-184.7783-181.0482-181.0482-177.6806-177.6806-176.5648-176.5648 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1131 -23.1131 -22.7317 -22.7317 -19.8320 -19.8320 -19.1952 -19.1952 -15.8161 -15.8161 -15.3539 -15.3539 -15.1158 -15.1158 -14.9544 -14.9544 -14.8235 -14.8235 -14.4228 -14.4228 -14.3188 -14.3188 -14.0006 -14.0006 -13.5159 -13.5159 -13.2400 -13.2400 -12.8271 -12.8271 -12.1507 -12.1507 -10.8364 -10.8364 -10.6853 -10.6853 -10.6113 -10.6113 -10.5694 -10.5694 -10.5115 -10.5115 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************************************************************************ ************************************************************************ ************************************************************************ -989.3559-989.3425-982.7616-982.7400-963.6714-963.6527-957.1050-957.0916 -224.7054-224.6741-220.6209-220.5942-219.8011-219.7734-214.9049-214.8780 -184.8310-184.8278-181.1005-181.0983-177.7244-177.7185-176.6150-176.6064 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1181 -23.1152 -22.7367 -22.7356 -19.8362 -19.8320 -19.2018 -19.2002 -15.8166 -15.8163 -15.3543 -15.3541 -15.1166 -15.1163 -14.9544 -14.9543 -14.8238 -14.8235 -14.4232 -14.4227 -14.3191 -14.3187 -14.0017 -14.0009 -13.5161 -13.5159 -13.2403 -13.2398 -12.8275 -12.8271 -12.1509 -12.1508 -10.8366 -10.8363 -10.6855 -10.6850 -10.6114 -10.6113 -10.5700 -10.5688 -10.5124 -10.5106 -10.4488 -10.4474 -10.4243 -10.4233 -10.3884 -10.3875 -10.2749 -10.2748 -10.1971 -10.1964 -10.1608 -10.1602 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************************************************************************ ************************************************************************ -989.6522-989.6285-983.3243-983.3079-963.9202-963.9026-957.4470-957.4335 -224.7464-224.6972-220.6667-220.5997-219.8417-219.7802-214.9466-214.8766 -184.8658-184.8640-181.1327-181.1288-177.7500-177.7363-176.6329-176.6180 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1214 -23.1167 -22.7394 -22.7365 -19.8386 -19.8353 -19.2043 -19.2011 -15.8169 -15.8165 -15.3546 -15.3542 -15.1167 -15.1166 -14.9543 -14.9541 -14.8241 -14.8238 -14.4234 -14.4225 -14.3193 -14.3186 -14.0030 -14.0018 -13.5163 -13.5159 -13.2406 -13.2398 -12.8279 -12.8272 -12.1512 -12.1509 -10.8368 -10.8362 -10.6858 -10.6847 -10.6116 -10.6114 -10.5706 -10.5682 -10.5130 -10.5094 -10.4496 -10.4468 -10.4247 -10.4227 -10.3888 -10.3871 -10.2748 -10.2745 -10.1974 -10.1959 -10.1610 -10.1599 -10.1093 -10.1089 -5.9316 -5.9251 -5.6338 -5.6279 -5.4659 -5.4572 -5.2573 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************************************************************************ -989.9047-989.8649-983.7860-983.7324-964.3932-964.3581-957.3366-957.3184 -224.7706-224.7158-220.6760-220.6291-219.8472-219.8079-214.9451-214.8909 -184.8915-184.8894-181.1551-181.1472-177.7661-177.7433-176.6463-176.6275 -26.7713 -26.7713 -26.6684 -26.6684 -26.5207 -26.5207 -26.4790 -26.4790 -23.1231 -23.1189 -22.7418 -22.7353 -19.8392 -19.8352 -19.2076 -19.1988 -15.8169 -15.8165 -15.3546 -15.3541 -15.1172 -15.1166 -14.9540 -14.9536 -14.8243 -14.8238 -14.4236 -14.4222 -14.3194 -14.3182 -14.0046 -14.0029 -13.5165 -13.5160 -13.2404 -13.2394 -12.8284 -12.8273 -12.1514 -12.1510 -10.8371 -10.8361 -10.6860 -10.6843 -10.6118 -10.6117 -10.5711 -10.5676 -10.5134 -10.5082 -10.4503 -10.4462 -10.4249 -10.4219 -10.3892 -10.3867 -10.2746 -10.2742 -10.1977 -10.1954 -10.1612 -10.1596 -10.1094 -10.1088 -5.9341 -5.9243 -5.6354 -5.6270 -5.4676 -5.4551 -5.2596 -5.2515 -5.0610 -5.0495 -4.8936 -4.8879 -4.7495 -4.7146 -4.6221 -4.6020 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************************************************************************ -989.4733-989.4733-984.0379-984.0379-963.2838-963.2838-957.5532-957.5532 -224.7371-224.7371-220.6239-220.6239-219.7813-219.7813-214.8905-214.8905 -184.9220-184.9220-181.1581-181.1581-177.7627-177.7627-176.6533-176.6533 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1222 -23.1222 -22.7354 -22.7354 -19.8372 -19.8372 -19.2066 -19.2066 -15.8184 -15.8184 -15.3469 -15.3469 -15.1222 -15.1222 -14.9399 -14.9399 -14.8220 -14.8220 -14.4151 -14.4151 -14.3110 -14.3110 -14.0520 -14.0520 -13.5224 -13.5224 -13.2306 -13.2306 -12.8390 -12.8390 -12.1553 -12.1553 -10.8435 -10.8435 -10.6829 -10.6829 -10.6227 -10.6227 -10.5669 -10.5669 -10.4910 -10.4910 -10.4512 -10.4512 -10.4073 -10.4073 -10.3914 -10.3914 -10.2619 -10.2619 -10.1925 -10.1925 -10.1560 -10.1560 -10.1103 -10.1103 -5.9413 -5.9413 -5.6723 -5.6723 -5.4705 -5.4705 -5.3487 -5.3487 -5.0470 -5.0470 -4.9166 -4.9166 -4.7011 -4.7011 -4.5185 -4.5185 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2.3044 2.3560 2.7504 2.8669 3.0623 3.0881 3.2626 3.3065 3.6339 3.7156 3.7878 3.8712 4.0102 4.0633 4.0932 4.1641 4.2521 4.2891 4.3725 4.4030 4.5469 4.6098 4.6935 4.7082 4.8123 4.8687 k = 0.1087 0.0593-0.0074 ( 25784 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.6481-989.6181-984.1141-984.0892-962.8909-962.8468-957.1236-957.0810 -224.7583-224.6954-220.6385-220.5952-219.7788-219.7434-214.8864-214.8352 -184.8827-184.8760-181.0932-181.0866-177.7216-177.7170-176.6249-176.6169 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1208 -23.1197 -22.7364 -22.7332 -19.8343 -19.8317 -19.2034 -19.1984 -15.8202 -15.8179 -15.3450 -15.3440 -15.1212 -15.1173 -14.9389 -14.9373 -14.8246 -14.8226 -14.4147 -14.4098 -14.3198 -14.3116 -14.0542 -14.0473 -13.5236 -13.5217 -13.2309 -13.2288 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4.3471 4.3981 4.5555 4.6194 4.6943 4.7169 4.8006 4.8621 k = 0.1304 0.0711-0.0089 ( 25782 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.5587-989.4974-983.9115-983.8769-963.1181-963.0625-956.9446-956.8818 -224.7588-224.6725-220.6513-220.5714-219.7810-219.7477-214.8914-214.8110 -184.8570-184.8427-181.0904-181.0759-177.7293-177.7238-176.6342-176.6259 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1205 -23.1192 -22.7369 -22.7323 -19.8339 -19.8293 -19.2047 -19.1974 -15.8207 -15.8179 -15.3443 -15.3431 -15.1205 -15.1158 -14.9382 -14.9364 -14.8253 -14.8230 -14.4140 -14.4082 -14.3225 -14.3128 -14.0548 -14.0465 -13.5239 -13.5218 -13.2308 -13.2284 -12.8390 -12.8376 -12.1559 -12.1547 -10.8426 -10.8407 -10.6833 -10.6810 -10.6226 -10.6186 -10.5694 -10.5639 -10.4973 -10.4892 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************************************************************************ ************************************************************************ ************************************************************************ -989.7200-989.6400-983.7815-983.7562-963.3111-963.2489-956.9367-956.8477 -224.7562-224.6806-220.6476-220.5662-219.7800-219.7596-214.8907-214.8138 -184.8532-184.8404-181.1083-181.0929-177.7378-177.7275-176.6046-176.5916 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1217 -23.1198 -22.7360 -22.7323 -19.8320 -19.8274 -19.2026 -19.1971 -15.8212 -15.8182 -15.3435 -15.3422 -15.1193 -15.1144 -14.9375 -14.9353 -14.8264 -14.8239 -14.4131 -14.4063 -14.3254 -14.3144 -14.0548 -14.0457 -13.5243 -13.5218 -13.2305 -13.2280 -12.8388 -12.8373 -12.1561 -12.1547 -10.8421 -10.8399 -10.6832 -10.6806 -10.6222 -10.6177 -10.5697 -10.5634 -10.4987 -10.4895 -10.4538 -10.4474 -10.4144 -10.4046 -10.3956 -10.3850 -10.2681 -10.2619 -10.1949 -10.1926 -10.1591 -10.1547 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************************************************************************ ************************************************************************ -989.2387-989.1011-983.2946-983.2741-963.2490-963.1778-956.6894-956.5886 -224.7346-224.6394-220.6373-220.5268-219.7608-219.7521-214.8998-214.7771 -184.8443-184.8283-181.0901-181.0730-177.7228-177.7064-176.5884-176.5763 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1197 -23.1186 -22.7356 -22.7310 -19.8315 -19.8252 -19.2028 -19.1967 -15.8219 -15.8184 -15.3424 -15.3410 -15.1180 -15.1127 -14.9366 -14.9342 -14.8274 -14.8247 -14.4120 -14.4044 -14.3286 -14.3163 -14.0550 -14.0448 -13.5246 -13.5219 -13.2304 -13.2276 -12.8386 -12.8370 -12.1562 -12.1547 -10.8415 -10.8392 -10.6830 -10.6802 -10.6217 -10.6166 -10.5699 -10.5629 -10.5000 -10.4900 -10.4539 -10.4468 -10.4154 -10.4053 -10.3953 -10.3844 -10.2692 -10.2625 -10.1953 -10.1928 -10.1595 -10.1547 -10.1113 -10.1098 -5.9684 -5.9580 -5.6828 -5.6563 -5.4584 -5.4204 -5.3070 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************************************************************************ -989.5336-989.3776-983.8657-983.8494-963.5639-963.4941-957.1892-957.0859 -224.7705-224.6575-220.6719-220.5608-219.7984-219.7600-214.9451-214.8070 -184.8599-184.8434-181.1197-181.1014-177.7570-177.7398-176.6062-176.5917 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1220 -23.1205 -22.7380 -22.7341 -19.8352 -19.8280 -19.2054 -19.1990 -15.8227 -15.8190 -15.3417 -15.3401 -15.1169 -15.1113 -14.9356 -14.9331 -14.8290 -14.8263 -14.4109 -14.4023 -14.3319 -14.3186 -14.0553 -14.0446 -13.5250 -13.5221 -13.2306 -13.2278 -12.8385 -12.8368 -12.1564 -12.1548 -10.8409 -10.8384 -10.6828 -10.6798 -10.6211 -10.6156 -10.5701 -10.5625 -10.5014 -10.4906 -10.4539 -10.4463 -10.4163 -10.4063 -10.3948 -10.3838 -10.2703 -10.2632 -10.1957 -10.1931 -10.1599 -10.1549 -10.1114 -10.1098 -5.9738 -5.9625 -5.6848 -5.6582 -5.4550 -5.4125 -5.2957 -5.2789 -5.0807 -5.0430 -4.9232 -4.9051 -4.7618 -4.6862 -4.5717 -4.5118 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2.2671 2.4184 2.7303 2.8602 3.1472 3.2949 3.3256 3.4998 3.5757 3.6341 3.8301 3.8737 3.9365 4.0109 4.0936 4.1233 4.2384 4.2906 4.3713 4.4555 4.5534 4.6088 4.7062 4.7354 4.7766 4.8075 k = 0.3261 0.1778-0.0223 ( 25789 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.1377-990.0155-983.9155-983.8733-964.2126-964.1042-956.9456-956.8089 -224.7831-224.7063-220.6639-220.5887-219.8099-219.7908-214.9249-214.8492 -184.8633-184.8530-181.1553-181.1479-177.8052-177.7718-176.5650-176.5403 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1220 -23.1184 -22.7396 -22.7340 -19.8368 -19.8304 -19.2090 -19.2030 -15.8260 -15.8225 -15.3346 -15.3335 -15.1076 -15.1028 -14.9283 -14.9256 -14.8375 -14.8348 -14.4006 -14.3876 -14.3535 -14.3358 -14.0533 -14.0438 -13.5267 -13.5239 -13.2297 -13.2268 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4.3812 4.4652 4.5394 4.6096 4.7000 4.7340 4.7784 4.8050 k = 0.3478 0.1896-0.0238 ( 25802 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -990.8912-990.7583-984.7020-984.6245-964.6613-964.5655-957.4555-957.3277 -224.8308-224.7480-220.7253-220.6372-219.8572-219.8198-214.9583-214.8911 -184.9115-184.9031-181.1995-181.1901-177.8261-177.7952-176.6081-176.5837 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1252 -23.1225 -22.7441 -22.7375 -19.8403 -19.8338 -19.2141 -19.2071 -15.8266 -15.8235 -15.3339 -15.3327 -15.1063 -15.1021 -14.9271 -14.9245 -14.8390 -14.8366 -14.3987 -14.3850 -14.3570 -14.3391 -14.0536 -14.0447 -13.5270 -13.5244 -13.2296 -13.2270 -12.8371 -12.8355 -12.1572 -12.1559 -10.8359 -10.8338 -10.6803 -10.6775 -10.6156 -10.6099 -10.5690 -10.5616 -10.5088 -10.4989 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************************************************************************ ************************************************************************ ************************************************************************ -990.7370-990.5974-984.6666-984.6159-964.4317-964.3246-957.2301-957.1049 -224.8163-224.7396-220.6942-220.6508-219.8357-219.8029-214.9550-214.8605 -184.8835-184.8754-181.1723-181.1618-177.8281-177.7907-176.6145-176.5822 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1236 -23.1197 -22.7431 -22.7372 -19.8393 -19.8316 -19.2107 -19.2036 -15.8268 -15.8239 -15.3327 -15.3317 -15.1043 -15.1006 -14.9258 -14.9235 -14.8402 -14.8379 -14.3965 -14.3823 -14.3600 -14.3423 -14.0524 -14.0446 -13.5270 -13.5247 -13.2292 -13.2269 -12.8367 -12.8353 -12.1572 -12.1560 -10.8353 -10.8334 -10.6799 -10.6774 -10.6147 -10.6095 -10.5685 -10.5619 -10.5092 -10.5003 -10.4493 -10.4423 -10.4217 -10.4162 -10.3890 -10.3824 -10.2771 -10.2715 -10.1982 -10.1966 -10.1610 -10.1573 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************************************************************************ ************************************************************************ -991.0867-990.9821-985.2202-985.1743-964.4340-964.3436-957.1196-957.0134 -224.8384-224.7838-220.7117-220.6792-219.8466-219.8151-214.9462-214.8817 -184.9080-184.9023-181.2101-181.2018-177.8304-177.7993-176.6251-176.5971 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1249 -23.1217 -22.7454 -22.7399 -19.8425 -19.8357 -19.2118 -19.2055 -15.8272 -15.8247 -15.3318 -15.3311 -15.1032 -15.1001 -14.9247 -14.9227 -14.8415 -14.8394 -14.3945 -14.3799 -14.3630 -14.3456 -14.0525 -14.0452 -13.5271 -13.5251 -13.2292 -13.2271 -12.8366 -12.8354 -12.1572 -12.1562 -10.8347 -10.8331 -10.6795 -10.6773 -10.6139 -10.6093 -10.5680 -10.5622 -10.5094 -10.5017 -10.4483 -10.4421 -10.4221 -10.4174 -10.3883 -10.3826 -10.2774 -10.2725 -10.1984 -10.1970 -10.1609 -10.1578 -10.1119 -10.1108 -5.9987 -5.9890 -5.7043 -5.6879 -5.4115 -5.3702 -5.1884 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************************************************************************ -991.1951-991.1079-985.6718-985.6379-964.6047-964.5293-957.2191-957.1321 -224.8573-224.7926-220.7419-220.7002-219.8532-219.8166-214.9516-214.8941 -184.8864-184.8763-181.2328-181.2246-177.8264-177.8013-176.6503-176.6245 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1252 -23.1208 -22.7467 -22.7425 -19.8426 -19.8360 -19.2095 -19.2043 -15.8273 -15.8252 -15.3311 -15.3304 -15.1018 -15.0994 -14.9237 -14.9219 -14.8424 -14.8406 -14.3921 -14.3780 -14.3654 -14.3489 -14.0517 -14.0457 -13.5270 -13.5254 -13.2289 -13.2272 -12.8364 -12.8354 -12.1571 -12.1563 -10.8342 -10.8329 -10.6791 -10.6773 -10.6130 -10.6092 -10.5675 -10.5626 -10.5094 -10.5031 -10.4473 -10.4421 -10.4223 -10.4186 -10.3875 -10.3829 -10.2776 -10.2735 -10.1985 -10.1973 -10.1608 -10.1582 -10.1118 -10.1109 -5.9988 -5.9912 -5.7046 -5.6908 -5.4064 -5.3708 -5.1816 -5.1690 -5.0873 -5.0411 -4.9913 -4.9115 -4.7811 -4.7220 -4.6177 -4.5912 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2.4369 2.4369 2.7958 2.7958 3.2102 3.2102 3.3442 3.3442 3.4937 3.4937 3.7442 3.7442 3.8697 3.8697 4.0161 4.0161 4.1903 4.1903 4.3047 4.3047 4.5433 4.5433 4.6994 4.6994 4.7900 4.7900 k = 0.4821 0.2628 0.4198 ( 25812 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.8941-991.8800-983.2119-983.1949-965.6528-965.6292-957.3397-957.3030 -224.8557-224.8199-220.6629-220.6240-219.8913-219.8879-214.9393-214.9166 -184.9734-184.9693-181.1087-181.1064-177.9125-177.9041-176.6712-176.6611 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1035 -23.1021 -22.7794 -22.7773 -19.8081 -19.8073 -19.2380 -19.2367 -15.8387 -15.8383 -15.3192 -15.3179 -15.1613 -15.1589 -14.9248 -14.9246 -14.7717 -14.7699 -14.3865 -14.3836 -14.3624 -14.3589 -14.0459 -14.0448 -13.5461 -13.5455 -13.2217 -13.2213 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4.2837 4.3289 4.5261 4.5598 4.6869 4.7140 4.7797 4.8015 k = 0.4643 0.2531 0.4042 ( 25816 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.8738-991.8314-983.9830-983.9425-965.7413-965.6948-957.3576-957.3298 -224.8591-224.8281-220.6968-220.6642-219.9017-219.8949-214.9519-214.9165 -184.9745-184.9639-181.1204-181.1157-177.9192-177.9097-176.6870-176.6786 -26.7711 -26.7711 -26.6686 -26.6686 -26.5204 -26.5204 -26.4792 -26.4792 -23.1054 -23.1025 -22.7802 -22.7782 -19.8105 -19.8081 -19.2396 -19.2361 -15.8387 -15.8379 -15.3202 -15.3177 -15.1623 -15.1575 -14.9251 -14.9247 -14.7728 -14.7702 -14.3879 -14.3823 -14.3640 -14.3570 -14.0467 -14.0445 -13.5462 -13.5450 -13.2220 -13.2214 -12.8329 -12.8324 -12.1550 -12.1545 -10.8305 -10.8297 -10.6850 -10.6843 -10.6103 -10.6078 -10.5589 -10.5571 -10.5156 -10.5140 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2.2471 2.4963 2.7472 2.8743 3.1762 3.2432 3.3425 3.4010 3.4924 3.5620 3.6829 3.7258 3.8191 3.9237 4.0156 4.0491 4.1445 4.1977 4.2876 4.4169 4.4757 4.6074 4.6240 4.7378 4.7889 4.8239 k = 0.3036 0.1655 0.2643 ( 25819 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.2456-991.1633-985.0213-984.9429-965.1154-965.0545-957.5982-957.5406 -224.8442-224.7940-220.7820-220.6500-219.9258-219.8615-214.9681-214.9114 -185.0279-185.0156-181.2112-181.2019-177.8619-177.8358-176.6786-176.6634 -26.7712 -26.7712 -26.6686 -26.6686 -26.5205 -26.5205 -26.4791 -26.4791 -23.1136 -23.1080 -22.7737 -22.7667 -19.8245 -19.8215 -19.2331 -19.2267 -15.8338 -15.8297 -15.3334 -15.3241 -15.1577 -15.1376 -14.9311 -14.9296 -14.7961 -14.7818 -14.3997 -14.3888 -14.3540 -14.3366 -14.0524 -14.0396 -13.5404 -13.5356 -13.2268 -13.2243 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4.2867 4.4117 4.4891 4.6219 4.6409 4.7312 4.7845 4.8219 k = 0.2857 0.1558 0.2488 ( 25829 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -991.2604-991.1253-985.4061-985.3730-965.6329-965.5928-957.8741-957.8295 -224.8812-224.8113-220.8019-220.6636-219.9549-219.9104-215.0074-214.9103 -185.0327-185.0216-181.2621-181.2485-177.8903-177.8550-176.7243-176.7013 -26.7712 -26.7712 -26.6686 -26.6686 -26.5205 -26.5205 -26.4791 -26.4791 -23.1165 -23.1097 -22.7769 -22.7693 -19.8317 -19.8281 -19.2330 -19.2285 -15.8329 -15.8289 -15.3353 -15.3259 -15.1560 -15.1353 -14.9320 -14.9305 -14.8001 -14.7847 -14.4014 -14.3912 -14.3510 -14.3340 -14.0536 -14.0405 -13.5393 -13.5344 -13.2277 -13.2252 -12.8365 -12.8347 -12.1566 -12.1548 -10.8359 -10.8328 -10.6844 -10.6818 -10.6178 -10.6095 -10.5644 -10.5576 -10.5085 -10.5004 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2.3159 2.3953 2.7287 2.9254 3.0829 3.1542 3.2693 3.3603 3.5551 3.6692 3.7454 3.8091 3.8689 3.9791 4.0535 4.2019 4.2270 4.2782 4.3367 4.4391 4.5303 4.5858 4.6772 4.7406 4.7963 4.8930 k = 0.1250 0.0681 0.1088 ( 25788 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -988.9509-988.8847-984.6292-984.5489-963.6787-963.5994-956.6112-956.5070 -224.7528-224.6573-220.6573-220.6194-219.8206-219.7676-214.8832-214.8166 -184.8861-184.8782-181.1196-181.1089-177.7483-177.7326-176.6100-176.6005 -26.7713 -26.7713 -26.6685 -26.6685 -26.5206 -26.5206 -26.4790 -26.4790 -23.1196 -23.1148 -22.7488 -22.7386 -19.8318 -19.8276 -19.2071 -19.2028 -15.8222 -15.8196 -15.3460 -15.3397 -15.1350 -15.1188 -14.9384 -14.9375 -14.8201 -14.8086 -14.4125 -14.4082 -14.3228 -14.3139 -14.0542 -14.0443 -13.5274 -13.5239 -13.2302 -13.2284 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4.3362 4.4412 4.5309 4.5850 4.6788 4.7310 4.8017 4.8955 k = 0.1071 0.0584 0.0933 ( 25788 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.3026-989.2195-984.5208-984.4378-963.5178-963.4272-956.5446-956.4261 -224.7577-224.6810-220.6587-220.6113-219.8102-219.7587-214.8749-214.8235 -184.8868-184.8752-181.1163-181.1069-177.7490-177.7282-176.6162-176.6024 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1215 -23.1162 -22.7443 -22.7373 -19.8330 -19.8285 -19.2079 -19.2034 -15.8215 -15.8191 -15.3467 -15.3411 -15.1328 -15.1183 -14.9389 -14.9380 -14.8214 -14.8111 -14.4134 -14.4097 -14.3204 -14.3126 -14.0540 -14.0454 -13.5264 -13.5232 -13.2303 -13.2288 -12.8388 -12.8378 -12.1558 -12.1547 -10.8426 -10.8407 -10.6833 -10.6821 -10.6227 -10.6192 -10.5678 -10.5638 -10.4957 -10.4904 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************************************************************************ ************************************************************************ ************************************************************************ -988.6739-988.5901-983.6985-983.6465-963.1427-963.0647-956.2184-956.0949 -224.6951-224.6633-220.6121-220.5583-219.7742-219.7395-214.8383-214.8000 -184.8651-184.8521-181.0748-181.0681-177.7233-177.6990-176.5968-176.5776 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1182 -23.1141 -22.7403 -22.7341 -19.8322 -19.8270 -19.2043 -19.1995 -15.8205 -15.8185 -15.3468 -15.3421 -15.1302 -15.1180 -14.9392 -14.9385 -14.8221 -14.8132 -14.4140 -14.4108 -14.3181 -14.3115 -14.0534 -14.0459 -13.5253 -13.5227 -13.2302 -13.2290 -12.8388 -12.8379 -12.1556 -12.1546 -10.8430 -10.8414 -10.6833 -10.6823 -10.6229 -10.6200 -10.5678 -10.5645 -10.4947 -10.4901 -10.4529 -10.4493 -10.4114 -10.4047 -10.3947 -10.3893 -10.2649 -10.2616 -10.1950 -10.1887 -10.1602 -10.1522 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************************************************************************ ************************************************************************ -988.6081-988.5119-983.4943-983.4542-962.7053-962.6224-956.3050-956.2186 -224.6872-224.6561-220.5863-220.5532-219.7611-219.7066-214.8531-214.7677 -184.8256-184.8152-181.0736-181.0664-177.7062-177.6780-176.5914-176.5769 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1163 -23.1102 -22.7349 -22.7310 -19.8332 -19.8274 -19.2010 -19.1971 -15.8196 -15.8180 -15.3468 -15.3430 -15.1279 -15.1181 -14.9395 -14.9389 -14.8224 -14.8154 -14.4144 -14.4118 -14.3160 -14.3106 -14.0531 -14.0468 -13.5244 -13.5223 -13.2301 -13.2292 -12.8388 -12.8381 -12.1554 -12.1545 -10.8433 -10.8420 -10.6832 -10.6824 -10.6231 -10.6207 -10.5678 -10.5650 -10.4937 -10.4900 -10.4526 -10.4497 -10.4105 -10.4050 -10.3940 -10.3896 -10.2641 -10.2615 -10.1946 -10.1896 -10.1594 -10.1529 -10.1116 -10.1104 -5.9475 -5.9403 -5.6756 -5.6562 -5.4825 -5.4491 -5.3474 -5.3314 -5.0780 -5.0259 -4.9125 -4.9007 -4.7189 -4.6921 -4.5361 -4.4974 -4.4030 -4.4003 -4.3269 -4.2982 -4.1677 -4.1472 -4.0734 -4.0450 -3.9185 -3.8705 -3.7852 -3.7689 -3.3922 -3.3850 -3.3301 -3.3174 -3.2488 -3.2271 -3.1537 -3.1134 -3.0331 -3.0101 -2.8783 -2.8485 -2.7642 -2.7286 -2.6387 -2.6127 -2.5492 -2.5315 -2.4336 -2.4049 -2.3228 -2.2801 -2.1461 -2.1333 -2.0439 -2.0112 -1.8358 -1.8329 -1.7801 -1.7613 -1.7058 -1.6647 -1.6227 -1.5941 -1.4423 -1.4324 -1.1650 -1.1363 -1.0690 -1.0233 -0.8428 -0.8306 -0.6429 -0.6337 0.7793 0.8286 1.2250 1.2628 1.6366 1.7210 2.3261 2.3577 2.7606 2.8634 3.0562 3.1011 3.2499 3.3240 3.6303 3.6960 3.7965 3.8547 3.9206 4.0437 4.0937 4.1816 4.2562 4.3042 4.3672 4.4476 4.5328 4.5742 4.6820 4.7136 4.8272 4.8996 k = 0.0536 0.0292 0.0466 ( 25778 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.1201-989.0180-983.7294-983.6986-962.7254-962.6484-956.7574-956.6730 -224.7130-224.6916-220.6071-220.5640-219.7528-219.7269-214.8685-214.8109 -184.8567-184.8452-181.1066-181.0951-177.7207-177.6943-176.6075-176.5863 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1182 -23.1143 -22.7349 -22.7313 -19.8356 -19.8301 -19.2008 -19.1986 -15.8191 -15.8178 -15.3471 -15.3443 -15.1264 -15.1187 -14.9397 -14.9393 -14.8228 -14.8174 -14.4149 -14.4129 -14.3143 -14.3102 -14.0533 -14.0482 -13.5237 -13.5221 -13.2304 -13.2298 -12.8389 -12.8384 -12.1554 -12.1547 -10.8435 -10.8425 -10.6831 -10.6826 -10.6231 -10.6214 -10.5677 -10.5656 -10.4929 -10.4901 -10.4523 -10.4500 -10.4096 -10.4054 -10.3933 -10.3899 -10.2634 -10.2614 -10.1942 -10.1904 -10.1585 -10.1536 -10.1111 -10.1102 -5.9454 -5.9395 -5.6763 -5.6609 -5.4805 -5.4551 -5.3494 -5.3374 -5.0704 -5.0293 -4.9146 -4.9058 -4.7138 -4.6934 -4.5315 -4.5026 -4.3965 -4.3920 -4.3204 -4.2978 -4.1677 -4.1505 -4.0551 -4.0313 -3.9349 -3.8896 -3.7902 -3.7759 -3.3890 -3.3822 -3.3274 -3.3168 -3.2529 -3.2362 -3.1489 -3.1170 -3.0299 -3.0137 -2.8657 -2.8429 -2.7681 -2.7365 -2.6411 -2.6192 -2.5475 -2.5336 -2.4314 -2.4086 -2.3192 -2.2850 -2.1419 -2.1316 -2.0391 -2.0136 -1.8315 -1.8279 -1.7776 -1.7605 -1.7085 -1.6755 -1.6217 -1.6005 -1.4392 -1.4314 -1.1607 -1.1392 -1.0603 -1.0256 -0.8411 -0.8315 -0.6408 -0.6338 0.7673 0.8051 1.2175 1.2410 1.6384 1.7050 2.3254 2.3494 2.7649 2.8441 3.0525 3.0867 3.2509 3.3113 3.6447 3.6950 3.8042 3.8472 3.9513 4.0630 4.0925 4.1722 4.2589 4.2929 4.3874 4.4496 4.5300 4.5651 4.6822 4.7085 4.8365 4.8934 k = 0.0357 0.0195 0.0311 ( 25774 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -988.9881-988.9058-983.8295-983.7378-962.4572-962.4119-956.5159-956.4976 -224.6919-224.6857-220.6002-220.5725-219.7358-219.7176-214.8389-214.8091 -184.8551-184.8412-181.1052-181.0954-177.6968-177.6768-176.5910-176.5769 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1176 -23.1138 -22.7318 -22.7291 -19.8346 -19.8308 -19.2000 -19.1947 -15.8186 -15.8176 -15.3470 -15.3450 -15.1243 -15.1193 -14.9398 -14.9395 -14.8225 -14.8190 -14.4150 -14.4137 -14.3128 -14.3100 -14.0528 -14.0493 -13.5231 -13.5220 -13.2302 -13.2300 -12.8388 -12.8385 -12.1552 -12.1547 -10.8436 -10.8429 -10.6831 -10.6827 -10.6231 -10.6219 -10.5675 -10.5661 -10.4921 -10.4902 -10.4519 -10.4504 -10.4088 -10.4060 -10.3926 -10.3903 -10.2628 -10.2614 -10.1937 -10.1911 -10.1577 -10.1544 -10.1107 -10.1101 -5.9423 -5.9392 -5.6746 -5.6645 -5.4768 -5.4599 -5.3498 -5.3418 -5.0620 -5.0336 -4.9150 -4.9087 -4.7085 -4.6949 -4.5268 -4.5073 -4.3909 -4.3857 -4.3137 -4.2976 -4.1664 -4.1541 -4.0385 -4.0184 -3.9478 -3.9099 -3.7918 -3.7812 -3.3858 -3.3811 -3.3234 -3.3155 -3.2556 -3.2445 -3.1426 -3.1209 -3.0270 -3.0168 -2.8537 -2.8373 -2.7705 -2.7457 -2.6414 -2.6254 -2.5453 -2.5358 -2.4281 -2.4123 -2.3142 -2.2903 -2.1384 -2.1310 -2.0334 -2.0161 -1.8279 -1.8236 -1.7752 -1.7620 -1.7080 -1.6852 -1.6198 -1.6058 -1.4359 -1.4304 -1.1563 -1.1421 -1.0517 -1.0286 -0.8389 -0.8323 -0.6388 -0.6340 0.7698 0.7921 1.2155 1.2321 1.6500 1.6953 2.3276 2.3448 2.7743 2.8280 3.0520 3.0761 3.2565 3.3001 3.6604 3.6931 3.8118 3.8397 3.9828 4.0707 4.0966 4.1616 4.2622 4.2831 4.4073 4.4512 4.5271 4.5550 4.6845 4.7035 4.8465 4.8862 k = 0.0179 0.0097 0.0155 ( 25774 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.0407-988.9684-983.2339-983.1706-962.7362-962.7155-956.7061-956.6740 -224.7074-224.6748-220.5765-220.5475-219.7442-219.7214-214.8462-214.8174 -184.8582-184.8472-181.1148-181.1087-177.7106-177.7013-176.5883-176.5872 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1176 -23.1159 -22.7316 -22.7276 -19.8336 -19.8306 -19.2010 -19.1957 -15.8182 -15.8176 -15.3469 -15.3458 -15.1225 -15.1203 -14.9399 -14.9397 -14.8222 -14.8204 -14.4150 -14.4143 -14.3116 -14.3102 -14.0519 -14.0503 -13.5226 -13.5221 -13.2303 -13.2300 -12.8388 -12.8386 -12.1551 -12.1548 -10.8436 -10.8433 -10.6830 -10.6828 -10.6230 -10.6224 -10.5672 -10.5665 -10.4915 -10.4905 -10.4516 -10.4508 -10.4080 -10.4066 -10.3920 -10.3908 -10.2623 -10.2616 -10.1931 -10.1918 -10.1568 -10.1552 -10.1105 -10.1102 -5.9406 -5.9396 -5.6729 -5.6677 -5.4730 -5.4645 -5.3495 -5.3453 -5.0539 -5.0390 -4.9155 -4.9123 -4.7042 -4.6973 -4.5218 -4.5118 -4.3868 -4.3833 -4.3076 -4.2990 -4.1645 -4.1580 -4.0241 -4.0110 -3.9531 -3.9297 -3.7914 -3.7858 -3.3835 -3.3815 -3.3195 -3.3151 -3.2568 -3.2513 -3.1366 -3.1256 -3.0246 -3.0200 -2.8440 -2.8350 -2.7696 -2.7554 -2.6399 -2.6313 -2.5429 -2.5380 -2.4245 -2.4165 -2.3086 -2.2964 -2.1355 -2.1315 -2.0281 -2.0193 -1.8249 -1.8217 -1.7727 -1.7653 -1.7050 -1.6935 -1.6173 -1.6105 -1.4335 -1.4303 -1.1522 -1.1450 -1.0440 -1.0325 -0.8368 -0.8334 -0.6372 -0.6347 0.7664 0.7745 1.2140 1.2231 1.6639 1.6838 2.3301 2.3373 2.7864 2.8103 3.0528 3.0671 3.2636 3.2876 3.6733 3.6883 3.8188 3.8322 4.0121 4.0588 4.1131 4.1479 4.2656 4.2752 4.4256 4.4487 4.5271 4.5432 4.6879 4.6995 4.8562 4.8769 k = 0.0000 0.0000 0.0000 ( 25793 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************************************************ -989.4733-989.4733-984.0379-984.0379-963.2838-963.2838-957.5532-957.5532 -224.7371-224.7371-220.6239-220.6239-219.7813-219.7813-214.8905-214.8905 -184.9220-184.9220-181.1581-181.1581-177.7627-177.7627-176.6533-176.6533 -26.7713 -26.7713 -26.6685 -26.6685 -26.5207 -26.5207 -26.4789 -26.4789 -23.1222 -23.1222 -22.7354 -22.7354 -19.8372 -19.8372 -19.2066 -19.2066 -15.8184 -15.8184 -15.3469 -15.3469 -15.1222 -15.1222 -14.9399 -14.9399 -14.8220 -14.8220 -14.4151 -14.4151 -14.3110 -14.3110 -14.0520 -14.0520 -13.5224 -13.5224 -13.2306 -13.2306 -12.8390 -12.8390 -12.1553 -12.1553 -10.8435 -10.8435 -10.6829 -10.6829 -10.6227 -10.6227 -10.5669 -10.5669 -10.4910 -10.4910 -10.4512 -10.4512 -10.4073 -10.4073 -10.3914 -10.3914 -10.2619 -10.2619 -10.1925 -10.1925 -10.1560 -10.1560 -10.1103 -10.1103 -5.9413 -5.9413 -5.6723 -5.6723 -5.4705 -5.4705 -5.3487 -5.3487 -5.0470 -5.0470 -4.9166 -4.9166 -4.7011 -4.7011 -4.5185 -4.5185 -4.3850 -4.3850 -4.3030 -4.3030 -4.1627 -4.1627 -4.0145 -4.0145 -3.9461 -3.9461 -3.7897 -3.7897 -3.3831 -3.3831 -3.3169 -3.3169 -3.2565 -3.2565 -3.1320 -3.1320 -3.0228 -3.0228 -2.8382 -2.8382 -2.7644 -2.7644 -2.6369 -2.6369 -2.5409 -2.5409 -2.4211 -2.4211 -2.3033 -2.3033 -2.1332 -2.1332 -2.0235 -2.0235 -1.8230 -1.8230 -1.7697 -1.7697 -1.7003 -1.7003 -1.6147 -1.6147 -1.4325 -1.4325 -1.1492 -1.1492 -1.0388 -1.0388 -0.8353 -0.8353 -0.6359 -0.6359 0.7551 0.7551 1.2073 1.2073 1.6628 1.6628 2.3269 2.3269 2.7893 2.7893 3.0549 3.0549 3.2715 3.2715 3.6781 3.6781 3.8239 3.8239 4.0370 4.0370 4.1305 4.1305 4.2680 4.2680 4.4395 4.4395 4.5321 4.5321 4.6913 4.6913 4.8640 4.8641 Writing output data file KTcCl3.save init_run : 3.03s CPU 2.27s WALL ( 1 calls) electrons : 9107.22s CPU 8264.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 9107.18s CPU 8264.33s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.06s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.06s WALL ( 1 calls) newd : 1.09s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.96s CPU 0.75s WALL ( 222 calls) cegterg : 8808.44s CPU 8016.72s WALL ( 1068 calls) Called by sum_band: Called by *egterg: h_psi : 4927.13s CPU 4044.50s WALL ( 19013 calls) s_psi : 499.74s CPU 500.08s WALL ( 19013 calls) g_psi : 6.50s CPU 7.01s WALL ( 17723 calls) cdiaghg : 2431.15s CPU 2446.12s WALL ( 17945 calls) cegterg:over : 485.81s CPU 485.68s WALL ( 17723 calls) cegterg:upda : 361.38s CPU 366.54s WALL ( 17723 calls) cegterg:last : 246.80s CPU 247.95s WALL ( 2798 calls) cdiaghg:chol : 107.74s CPU 108.41s WALL ( 17945 calls) cdiaghg:inve : 91.80s CPU 93.58s WALL ( 17945 calls) cdiaghg:para : 211.98s CPU 216.94s WALL ( 35890 calls) Called by h_psi: h_psi:vloc : 4104.54s CPU 3216.13s WALL ( 19013 calls) h_psi:vnl : 807.18s CPU 812.80s WALL ( 19013 calls) add_vuspsi : 412.78s CPU 418.20s WALL ( 19013 calls) General routines calbec : 394.24s CPU 394.51s WALL ( 19013 calls) fft : 0.22s CPU 0.15s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 3958.08s CPU 3070.17s WALL ( 6692040 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 1.47s CPU 30.28s WALL ( 444 calls) Parallel routines fft_scatter : 1999.42s CPU 2018.29s WALL ( 6692063 calls) PWSCF : 2h37m CPU 2h25m WALL This run was terminated on: 5:21:35 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=