iterations/neb3_max1_image01_iter23_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421849136516E+04 0.42185E+04 -0.25384E+05 9008 0.103E+03
DAV: 2 -0.105241524020E+03 -0.43237E+04 -0.39272E+04 11016 0.248E+02
DAV: 3 -0.426586368922E+03 -0.32134E+03 -0.30081E+03 10280 0.655E+01
DAV: 4 -0.435140433270E+03 -0.85541E+01 -0.84424E+01 10856 0.107E+01
DAV: 5 -0.435430448464E+03 -0.29002E+00 -0.28935E+00 11160 0.191E+00 0.100E+02
RMM: 6 -0.389146253345E+03 0.46284E+02 -0.10674E+02 9694 0.142E+01 0.744E+01
RMM: 7 -0.823366727011E+03 -0.43422E+03 -0.45600E+02 11435 0.193E+01 0.149E+02
RMM: 8 -0.494933749099E+03 0.32843E+03 -0.11366E+02 9992 0.113E+01 0.899E+01
RMM: 9 -0.408313044533E+03 0.86621E+02 -0.72850E+01 10211 0.110E+01 0.553E+01
RMM: 10 -0.383520752765E+03 0.24792E+02 -0.37174E+01 10211 0.799E+00 0.385E+01
RMM: 11 -0.382077798573E+03 0.14430E+01 -0.19509E+01 10281 0.529E+00 0.402E+01
RMM: 12 -0.374689565804E+03 0.73882E+01 -0.62532E+00 9993 0.347E+00 0.265E+01
RMM: 13 -0.373232835734E+03 0.14567E+01 -0.30146E+00 10135 0.228E+00 0.205E+01
RMM: 14 -0.373965234201E+03 -0.73240E+00 -0.14198E+00 10242 0.159E+00 0.130E+01
RMM: 15 -0.380588593683E+03 -0.66234E+01 -0.15971E+00 10533 0.166E+00 0.170E+01
RMM: 16 -0.384064881691E+03 -0.34763E+01 -0.16154E+00 10601 0.168E+00 0.129E+01
RMM: 17 -0.388320435710E+03 -0.42556E+01 -0.15608E+00 10817 0.154E+00 0.904E+00
RMM: 18 -0.391526734544E+03 -0.32063E+01 -0.79996E-01 10435 0.112E+00 0.652E+00
RMM: 19 -0.394361148165E+03 -0.28344E+01 -0.58799E-01 10709 0.937E-01 0.651E+00
RMM: 20 -0.397207616838E+03 -0.28465E+01 -0.74434E-01 11327 0.995E-01 0.696E+00
RMM: 21 -0.399701514113E+03 -0.24939E+01 -0.74817E-01 11487 0.924E-01 0.730E+00
RMM: 22 -0.402890201222E+03 -0.31887E+01 -0.10307E+00 11921 0.992E-01 0.750E+00
RMM: 23 -0.407218071866E+03 -0.43279E+01 -0.19432E+00 12947 0.128E+00 0.851E+00
RMM: 24 -0.409003290514E+03 -0.17852E+01 -0.74711E-01 11909 0.789E-01 0.742E+00
RMM: 25 -0.409349812060E+03 -0.34652E+00 -0.46209E-02 10526 0.224E-01 0.695E+00
RMM: 26 -0.409129693459E+03 0.22012E+00 -0.16488E-02 10224 0.149E-01 0.682E+00
RMM: 27 -0.408702359075E+03 0.42733E+00 -0.31571E-02 10755 0.196E-01 0.621E+00
RMM: 28 -0.408059059134E+03 0.64330E+00 -0.12739E-01 12707 0.393E-01 0.611E+00
RMM: 29 -0.407774395139E+03 0.28466E+00 -0.77249E-02 12553 0.338E-01 0.655E+00
RMM: 30 -0.406892285080E+03 0.88211E+00 -0.17223E-01 13833 0.516E-01 0.786E+00
RMM: 31 -0.410840715308E+03 -0.39484E+01 -0.10158E+00 15749 0.111E+00 0.563E+00
RMM: 32 -0.413267838357E+03 -0.24271E+01 -0.93690E-01 15947 0.881E-01 0.577E+00
RMM: 33 -0.414678996615E+03 -0.14112E+01 -0.34652E-01 14912 0.597E-01 0.436E+00
RMM: 34 -0.415367424812E+03 -0.68843E+00 -0.11457E-01 12876 0.365E-01 0.321E+00
RMM: 35 -0.415600023873E+03 -0.23260E+00 -0.25584E-02 11162 0.191E-01 0.329E+00
RMM: 36 -0.415897919127E+03 -0.29790E+00 -0.26792E-02 11165 0.208E-01 0.377E+00
RMM: 37 -0.415965279303E+03 -0.67360E-01 -0.39857E-02 11357 0.258E-01 0.286E+00
RMM: 38 -0.416173613730E+03 -0.20833E+00 -0.29641E-02 11187 0.217E-01 0.194E+00
RMM: 39 -0.416390128682E+03 -0.21651E+00 -0.11088E-02 10426 0.131E-01 0.189E+00
RMM: 40 -0.416448974694E+03 -0.58846E-01 -0.33499E-03 10167 0.693E-02 0.173E+00
RMM: 41 -0.416563930420E+03 -0.11496E+00 -0.36895E-03 10698 0.719E-02 0.147E+00
RMM: 42 -0.416714099359E+03 -0.15017E+00 -0.55232E-03 11309 0.842E-02 0.105E+00
RMM: 43 -0.416847498737E+03 -0.13340E+00 -0.30817E-03 10757 0.630E-02 0.817E-01
RMM: 44 -0.416938346994E+03 -0.90848E-01 -0.25518E-03 10818 0.552E-02 0.749E-01
RMM: 45 -0.417082307184E+03 -0.14396E+00 -0.96860E-03 12992 0.101E-01 0.645E-01
RMM: 46 -0.417138092307E+03 -0.55785E-01 -0.68088E-03 12472 0.814E-02 0.426E-01
RMM: 47 -0.417210313902E+03 -0.72222E-01 -0.14741E-02 13487 0.108E-01 0.454E-01
RMM: 48 -0.417264931118E+03 -0.54617E-01 -0.44248E-03 11687 0.601E-02 0.357E-01
RMM: 49 -0.417328389487E+03 -0.63458E-01 -0.36668E-03 11443 0.516E-02 0.267E-01
RMM: 50 -0.417388135185E+03 -0.59746E-01 -0.46896E-03 12088 0.559E-02 0.296E-01
RMM: 51 -0.417405091137E+03 -0.16956E-01 -0.28453E-03 11864 0.517E-02 0.132E-01
RMM: 52 -0.417444987086E+03 -0.39896E-01 -0.92127E-04 11000 0.296E-02 0.120E-01
RMM: 53 -0.417479559038E+03 -0.34572E-01 -0.47193E-04 10668 0.197E-02 0.121E-01
RMM: 54 -0.417510353258E+03 -0.30794E-01 -0.22384E-04 10388 0.147E-02 0.112E-01
RMM: 55 -0.417537725557E+03 -0.27372E-01 -0.22451E-04 10575 0.135E-02 0.992E-02
RMM: 56 -0.417541830806E+03 -0.41052E-02 -0.11120E-04 10444 0.113E-02 0.688E-02
RMM: 57 -0.417547365931E+03 -0.55351E-02 -0.78363E-05 8907 0.833E-03 0.633E-02
RMM: 58 -0.417549052888E+03 -0.16870E-02 -0.58638E-05 8646 0.737E-03 0.208E-02
RMM: 59 -0.417550337704E+03 -0.12848E-02 -0.32755E-05 7824 0.499E-03 0.143E-02
RMM: 60 -0.417551124291E+03 -0.78659E-03 -0.18826E-05 7175 0.369E-03 0.127E-02
RMM: 61 -0.417551751471E+03 -0.62718E-03 -0.13229E-05 6859 0.290E-03 0.942E-03
RMM: 62 -0.417551966668E+03 -0.21520E-03 -0.50323E-06 6041 0.198E-03 0.640E-03
RMM: 63 -0.417552166054E+03 -0.19939E-03 -0.37815E-06 4929 0.156E-03 0.905E-03
RMM: 64 -0.417552274161E+03 -0.10811E-03 -0.16386E-06 3983 0.119E-03 0.678E-03
RMM: 65 -0.417552348753E+03 -0.74592E-04 -0.13279E-06 3928 0.114E-03 0.319E-03
RMM: 66 -0.417552385292E+03 -0.36539E-04 -0.10555E-06 3699 0.106E-03 0.187E-03
RMM: 67 -0.417552409156E+03 -0.23864E-04 -0.67132E-07 3514 0.988E-04 0.220E-03
RMM: 68 -0.417552421799E+03 -0.12643E-04 -0.48085E-07 3021 0.917E-04 0.133E-03
RMM: 69 -0.417552430193E+03 -0.83937E-05 -0.26711E-07 2761 0.871E-04
1 F= -.45521238E+03 E0= -.45521307E+03 d E =0.209192E-02 mag= 0.0008