iterations/neb0_image05_iter48_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.423176137057E+04 0.42318E+04 -0.25394E+05 9000 0.103E+03
DAV: 2 -0.104208182510E+03 -0.43360E+04 -0.39321E+04 10984 0.248E+02
DAV: 3 -0.426760702555E+03 -0.32255E+03 -0.30198E+03 10288 0.657E+01
DAV: 4 -0.435274480647E+03 -0.85138E+01 -0.84035E+01 10928 0.107E+01
DAV: 5 -0.435573372602E+03 -0.29889E+00 -0.29791E+00 11000 0.195E+00 0.991E+01
RMM: 6 -0.378905942455E+03 0.56667E+02 -0.11428E+02 9718 0.146E+01 0.673E+01
RMM: 7 -0.494417924748E+03 -0.11551E+03 -0.15633E+02 9889 0.149E+01 0.893E+01
RMM: 8 -0.385026377762E+03 0.10939E+03 -0.57467E+01 9805 0.105E+01 0.339E+01
RMM: 9 -0.524815977538E+03 -0.13979E+03 -0.49967E+01 10274 0.772E+00 0.911E+01
RMM: 10 -0.386259634128E+03 0.13856E+03 -0.33331E+01 10386 0.653E+00 0.354E+01
RMM: 11 -0.375672022559E+03 0.10588E+02 -0.67209E+00 9774 0.366E+00 0.183E+01
RMM: 12 -0.379732097282E+03 -0.40601E+01 -0.53241E+00 10257 0.283E+00 0.138E+01
RMM: 13 -0.382442014524E+03 -0.27099E+01 -0.17575E+00 10156 0.163E+00 0.131E+01
RMM: 14 -0.383321085558E+03 -0.87907E+00 -0.60150E-01 10122 0.103E+00 0.101E+01
RMM: 15 -0.385617135038E+03 -0.22960E+01 -0.51087E-01 10304 0.971E-01 0.878E+00
RMM: 16 -0.390388581347E+03 -0.47714E+01 -0.11531E+00 11368 0.134E+00 0.823E+00
RMM: 17 -0.395680521560E+03 -0.52919E+01 -0.18178E+00 11851 0.153E+00 0.692E+00
RMM: 18 -0.402316651513E+03 -0.66361E+01 -0.36787E+00 12646 0.189E+00 0.731E+00
RMM: 19 -0.403514177598E+03 -0.11975E+01 -0.40422E-01 10757 0.699E-01 0.670E+00
RMM: 20 -0.405439932510E+03 -0.19258E+01 -0.50203E-01 11236 0.688E-01 0.647E+00
RMM: 21 -0.409564892585E+03 -0.41250E+01 -0.26528E+00 13533 0.146E+00 0.574E+00
RMM: 22 -0.412032879576E+03 -0.24680E+01 -0.12397E+00 12594 0.102E+00 0.585E+00
RMM: 23 -0.413551807734E+03 -0.15189E+01 -0.15796E-01 10680 0.410E-01 0.573E+00
RMM: 24 -0.414076239242E+03 -0.52443E+00 -0.41616E-02 10328 0.200E-01 0.565E+00
RMM: 25 -0.414424034680E+03 -0.34780E+00 -0.59080E-02 11060 0.238E-01 0.565E+00
RMM: 26 -0.414946734699E+03 -0.52270E+00 -0.17453E-01 12344 0.401E-01 0.481E+00
RMM: 27 -0.415401668390E+03 -0.45493E+00 -0.10060E-01 11913 0.379E-01 0.351E+00
RMM: 28 -0.415669138758E+03 -0.26747E+00 -0.47193E-02 11012 0.272E-01 0.334E+00
RMM: 29 -0.416044836922E+03 -0.37570E+00 -0.40488E-02 10763 0.258E-01 0.231E+00
RMM: 30 -0.416602533418E+03 -0.55770E+00 -0.37291E-02 10626 0.249E-01 0.155E+00
RMM: 31 -0.416942542675E+03 -0.34001E+00 -0.18039E-02 10355 0.164E-01 0.126E+00
RMM: 32 -0.417093119251E+03 -0.15058E+00 -0.11351E-02 10423 0.129E-01 0.100E+00
RMM: 33 -0.417172699646E+03 -0.79580E-01 -0.70450E-03 10416 0.974E-02 0.858E-01
RMM: 34 -0.417271249415E+03 -0.98550E-01 -0.99351E-03 11111 0.112E-01 0.900E-01
RMM: 35 -0.417315562542E+03 -0.44313E-01 -0.79962E-03 11031 0.972E-02 0.560E-01
RMM: 36 -0.417442224317E+03 -0.12666E+00 -0.94591E-03 11344 0.968E-02 0.544E-01
RMM: 37 -0.417538502766E+03 -0.96278E-01 -0.11975E-02 11720 0.999E-02 0.625E-01
RMM: 38 -0.417588082849E+03 -0.49580E-01 -0.53762E-03 11230 0.685E-02 0.560E-01
RMM: 39 -0.417656754830E+03 -0.68672E-01 -0.71334E-03 11715 0.699E-02 0.409E-01
RMM: 40 -0.417700129605E+03 -0.43375E-01 -0.44462E-03 11438 0.575E-02 0.259E-01
RMM: 41 -0.417763190316E+03 -0.63061E-01 -0.45778E-03 11689 0.510E-02 0.199E-01
RMM: 42 -0.417831519410E+03 -0.68329E-01 -0.27033E-03 11456 0.403E-02 0.168E-01
RMM: 43 -0.417921212165E+03 -0.89693E-01 -0.22446E-03 11572 0.335E-02 0.107E-01
RMM: 44 -0.417949878933E+03 -0.28667E-01 -0.57832E-04 10895 0.209E-02 0.772E-02
RMM: 45 -0.417955154793E+03 -0.52759E-02 -0.18491E-04 10020 0.126E-02 0.413E-02
RMM: 46 -0.417955883958E+03 -0.72917E-03 -0.65225E-05 8527 0.754E-03 0.306E-02
RMM: 47 -0.417956209175E+03 -0.32522E-03 -0.36471E-05 7984 0.556E-03 0.207E-02
RMM: 48 -0.417956753944E+03 -0.54477E-03 -0.19025E-05 7320 0.418E-03 0.330E-02
RMM: 49 -0.417957012530E+03 -0.25859E-03 -0.14421E-05 7121 0.340E-03 0.336E-02
RMM: 50 -0.417957292716E+03 -0.28019E-03 -0.65568E-06 6648 0.239E-03 0.139E-02
RMM: 51 -0.417957597616E+03 -0.30490E-03 -0.72649E-06 6682 0.256E-03 0.987E-03
RMM: 52 -0.417957752265E+03 -0.15465E-03 -0.19456E-06 5296 0.152E-03 0.813E-03
RMM: 53 -0.417957946845E+03 -0.19458E-03 -0.11844E-06 4577 0.123E-03 0.698E-03
RMM: 54 -0.417958303757E+03 -0.35691E-03 -0.15077E-06 5091 0.131E-03 0.466E-03
RMM: 55 -0.417958715121E+03 -0.41136E-03 -0.18201E-06 4770 0.125E-03 0.377E-03
RMM: 56 -0.417959005074E+03 -0.28995E-03 -0.11167E-06 3974 0.105E-03 0.476E-03
RMM: 57 -0.417959169611E+03 -0.16454E-03 -0.56748E-07 3520 0.937E-04 0.370E-03
RMM: 58 -0.417959353670E+03 -0.18406E-03 -0.67152E-07 3770 0.957E-04 0.272E-03
RMM: 59 -0.417959509381E+03 -0.15571E-03 -0.60794E-07 3625 0.958E-04 0.216E-03
RMM: 60 -0.417959591420E+03 -0.82039E-04 -0.41975E-07 3299 0.906E-04 0.195E-03
RMM: 61 -0.417959649547E+03 -0.58127E-04 -0.51484E-07 3336 0.934E-04 0.111E-03
RMM: 62 -0.417959675219E+03 -0.25672E-04 -0.27409E-07 2966 0.868E-04 0.824E-04
RMM: 63 -0.417959684234E+03 -0.90145E-05 -0.15593E-07 2637 0.834E-04
1 F= -.45576181E+03 E0= -.45576167E+03 d E =-.433162E-03 mag= -0.0003