iterations/neb1_max2_image03_iter28_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422691955520E+04 0.42269E+04 -0.25386E+05 8992 0.103E+03
DAV: 2 -0.104206716070E+03 -0.43311E+04 -0.39311E+04 11024 0.248E+02
DAV: 3 -0.426906583897E+03 -0.32270E+03 -0.30180E+03 10200 0.657E+01
DAV: 4 -0.435460457900E+03 -0.85539E+01 -0.84534E+01 10816 0.107E+01
DAV: 5 -0.435753505917E+03 -0.29305E+00 -0.29229E+00 11160 0.192E+00 0.994E+01
RMM: 6 -0.388743881554E+03 0.47010E+02 -0.11144E+02 9706 0.146E+01 0.743E+01
RMM: 7 -0.817481550761E+03 -0.42874E+03 -0.45335E+02 11362 0.196E+01 0.152E+02
RMM: 8 -0.493781775961E+03 0.32370E+03 -0.10505E+02 9918 0.109E+01 0.903E+01
RMM: 9 -0.429158227192E+03 0.64624E+02 -0.70385E+01 10217 0.108E+01 0.627E+01
RMM: 10 -0.370143286978E+03 0.59015E+02 -0.34658E+01 10258 0.764E+00 0.252E+01
RMM: 11 -0.377063249151E+03 -0.69200E+01 -0.14060E+01 10399 0.422E+00 0.349E+01
RMM: 12 -0.371283743921E+03 0.57795E+01 -0.38622E+00 9977 0.279E+00 0.188E+01
RMM: 13 -0.372554072000E+03 -0.12703E+01 -0.16537E+00 10073 0.179E+00 0.154E+01
RMM: 14 -0.374657517891E+03 -0.21034E+01 -0.80084E-01 10119 0.119E+00 0.104E+01
RMM: 15 -0.379958038153E+03 -0.53005E+01 -0.10624E+00 10539 0.136E+00 0.100E+01
RMM: 16 -0.389889313116E+03 -0.99313E+01 -0.34074E+00 12211 0.225E+00 0.118E+01
RMM: 17 -0.391021390262E+03 -0.11321E+01 -0.98702E-01 10802 0.117E+00 0.867E+00
RMM: 18 -0.391993020038E+03 -0.97163E+00 -0.20907E-01 10117 0.556E-01 0.691E+00
RMM: 19 -0.394818578180E+03 -0.28256E+01 -0.42255E-01 11151 0.720E-01 0.737E+00
RMM: 20 -0.397257211748E+03 -0.24386E+01 -0.49784E-01 11632 0.793E-01 0.796E+00
RMM: 21 -0.401162372713E+03 -0.39052E+01 -0.13542E+00 12711 0.112E+00 0.660E+00
RMM: 22 -0.405504794887E+03 -0.43424E+01 -0.14034E+00 13003 0.111E+00 0.527E+00
RMM: 23 -0.409614866215E+03 -0.41101E+01 -0.14709E+00 13133 0.108E+00 0.534E+00
RMM: 24 -0.411501901514E+03 -0.18870E+01 -0.59277E-01 12068 0.713E-01 0.505E+00
RMM: 25 -0.412143595895E+03 -0.64169E+00 -0.14365E-01 10976 0.356E-01 0.524E+00
RMM: 26 -0.412019490859E+03 0.12411E+00 -0.17323E-02 10268 0.156E-01 0.516E+00
RMM: 27 -0.411670815958E+03 0.34867E+00 -0.68961E-02 11144 0.308E-01 0.497E+00
RMM: 28 -0.411548156719E+03 0.12266E+00 -0.86446E-02 11764 0.372E-01 0.515E+00
RMM: 29 -0.411158075516E+03 0.39008E+00 -0.20632E-01 13527 0.561E-01 0.608E+00
RMM: 30 -0.411433140864E+03 -0.27507E+00 -0.52247E-03 10203 0.102E-01 0.600E+00
RMM: 31 -0.412794707378E+03 -0.13616E+01 -0.87231E-01 16767 0.973E-01 0.526E+00
RMM: 32 -0.413790652401E+03 -0.99595E+00 -0.37387E-01 15873 0.574E-01 0.563E+00
RMM: 33 -0.414309060392E+03 -0.51841E+00 -0.88997E-02 13973 0.329E-01 0.427E+00
RMM: 34 -0.414653136550E+03 -0.34408E+00 -0.25780E-02 11734 0.197E-01 0.343E+00
RMM: 35 -0.414871789675E+03 -0.21865E+00 -0.60764E-03 10429 0.106E-01 0.336E+00
RMM: 36 -0.415344512543E+03 -0.47272E+00 -0.34954E-02 12962 0.235E-01 0.310E+00
RMM: 37 -0.415338752889E+03 0.57597E-02 -0.36074E-02 13066 0.238E-01 0.190E+00
RMM: 38 -0.415476739336E+03 -0.13799E+00 -0.13443E-02 11443 0.143E-01 0.176E+00
RMM: 39 -0.415697852846E+03 -0.22111E+00 -0.55242E-03 10666 0.912E-02 0.149E+00
RMM: 40 -0.416011528273E+03 -0.31368E+00 -0.92512E-03 11485 0.109E-01 0.113E+00
RMM: 41 -0.416219446363E+03 -0.20792E+00 -0.16820E-02 12455 0.140E-01 0.864E-01
RMM: 42 -0.416271744646E+03 -0.52298E-01 -0.52352E-03 11087 0.797E-02 0.742E-01
RMM: 43 -0.416354518889E+03 -0.82774E-01 -0.85651E-03 11851 0.898E-02 0.583E-01
RMM: 44 -0.416435021286E+03 -0.80502E-01 -0.10125E-02 12134 0.934E-02 0.565E-01
RMM: 45 -0.416565735234E+03 -0.13071E+00 -0.92804E-03 11819 0.863E-02 0.478E-01
RMM: 46 -0.416653224860E+03 -0.87490E-01 -0.37376E-03 11108 0.591E-02 0.376E-01
RMM: 47 -0.416720086518E+03 -0.66862E-01 -0.38424E-03 11359 0.537E-02 0.285E-01
RMM: 48 -0.416756280840E+03 -0.36194E-01 -0.24182E-03 11193 0.418E-02 0.205E-01
RMM: 49 -0.416797264369E+03 -0.40984E-01 -0.20071E-03 11463 0.365E-02 0.162E-01
RMM: 50 -0.416836619188E+03 -0.39355E-01 -0.90713E-04 11091 0.260E-02 0.147E-01
RMM: 51 -0.416868717087E+03 -0.32098E-01 -0.11480E-03 11825 0.296E-02 0.115E-01
RMM: 52 -0.416895262020E+03 -0.26545E-01 -0.28933E-04 10623 0.164E-02 0.816E-02
RMM: 53 -0.416904234547E+03 -0.89725E-02 -0.12744E-04 9743 0.109E-02 0.522E-02
RMM: 54 -0.416907014362E+03 -0.27798E-02 -0.55373E-05 8622 0.747E-03 0.473E-02
RMM: 55 -0.416909049390E+03 -0.20350E-02 -0.43083E-05 8144 0.610E-03 0.344E-02
RMM: 56 -0.416909439757E+03 -0.39037E-03 -0.28455E-05 7497 0.546E-03 0.209E-02
RMM: 57 -0.416910080654E+03 -0.64090E-03 -0.10234E-05 6608 0.329E-03 0.131E-02
RMM: 58 -0.416910480527E+03 -0.39987E-03 -0.99592E-06 6777 0.267E-03 0.120E-02
RMM: 59 -0.416910746492E+03 -0.26597E-03 -0.63088E-06 6297 0.213E-03 0.101E-02
RMM: 60 -0.416911014672E+03 -0.26818E-03 -0.41319E-06 4926 0.159E-03 0.937E-03
RMM: 61 -0.416911196041E+03 -0.18137E-03 -0.26406E-06 4509 0.137E-03 0.568E-03
RMM: 62 -0.416911352871E+03 -0.15683E-03 -0.55703E-06 6527 0.205E-03 0.241E-02
RMM: 63 -0.416911376114E+03 -0.23242E-04 -0.67789E-07 3409 0.980E-04 0.239E-02
RMM: 64 -0.416911381428E+03 -0.53142E-05 -0.10806E-07 2594 0.817E-04
1 F= -.45463359E+03 E0= -.45463307E+03 d E =-.154260E-02 mag= -0.0020