iterations/neb1_max2_image03_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422560160754E+04 0.42256E+04 -0.25381E+05 8992 0.103E+03
DAV: 2 -0.100737019920E+03 -0.43263E+04 -0.39229E+04 11016 0.248E+02
DAV: 3 -0.424451564365E+03 -0.32371E+03 -0.30218E+03 10248 0.656E+01
DAV: 4 -0.433105309055E+03 -0.86537E+01 -0.85447E+01 10680 0.108E+01
DAV: 5 -0.433411121874E+03 -0.30581E+00 -0.30507E+00 11024 0.197E+00 0.100E+02
RMM: 6 -0.393146928011E+03 0.40264E+02 -0.10803E+02 9660 0.144E+01 0.791E+01
RMM: 7 -0.852008528716E+03 -0.45886E+03 -0.46371E+02 11623 0.194E+01 0.153E+02
RMM: 8 -0.485464790275E+03 0.36654E+03 -0.10850E+02 10007 0.112E+01 0.877E+01
RMM: 9 -0.419053761072E+03 0.66411E+02 -0.77699E+01 10269 0.114E+01 0.623E+01
RMM: 10 -0.363769764640E+03 0.55284E+02 -0.33752E+01 10338 0.727E+00 0.261E+01
RMM: 11 -0.366749635763E+03 -0.29799E+01 -0.18294E+01 10332 0.502E+00 0.255E+01
RMM: 12 -0.367210927379E+03 -0.46129E+00 -0.45465E+00 10201 0.271E+00 0.196E+01
RMM: 13 -0.369262979310E+03 -0.20521E+01 -0.24394E+00 10162 0.215E+00 0.146E+01
RMM: 14 -0.372477806536E+03 -0.32148E+01 -0.17995E+00 10221 0.173E+00 0.125E+01
RMM: 15 -0.375528981470E+03 -0.30512E+01 -0.97601E-01 10227 0.129E+00 0.952E+00
RMM: 16 -0.384939704333E+03 -0.94107E+01 -0.28856E+00 11795 0.198E+00 0.101E+01
RMM: 17 -0.387437066980E+03 -0.24974E+01 -0.11566E+00 10849 0.132E+00 0.717E+00
RMM: 18 -0.390359830002E+03 -0.29228E+01 -0.51472E-01 10402 0.845E-01 0.624E+00
RMM: 19 -0.392759451404E+03 -0.23996E+01 -0.52563E-01 10978 0.781E-01 0.605E+00
RMM: 20 -0.395877144335E+03 -0.31177E+01 -0.86977E-01 11761 0.961E-01 0.569E+00
RMM: 21 -0.398418128132E+03 -0.25410E+01 -0.57221E-01 11505 0.782E-01 0.496E+00
RMM: 22 -0.402900518281E+03 -0.44824E+01 -0.13982E+00 12616 0.108E+00 0.485E+00
RMM: 23 -0.406908352977E+03 -0.40078E+01 -0.16284E+00 13169 0.113E+00 0.495E+00
RMM: 24 -0.408879820248E+03 -0.19715E+01 -0.86556E-01 12360 0.817E-01 0.517E+00
RMM: 25 -0.409227477946E+03 -0.34766E+00 -0.41072E-02 10498 0.221E-01 0.503E+00
RMM: 26 -0.408863138234E+03 0.36434E+00 -0.39947E-02 10370 0.235E-01 0.495E+00
RMM: 27 -0.408432727458E+03 0.43041E+00 -0.79464E-02 11223 0.339E-01 0.446E+00
RMM: 28 -0.408239989765E+03 0.19274E+00 -0.25324E-01 13336 0.624E-01 0.491E+00
RMM: 29 -0.407931343208E+03 0.30865E+00 -0.67153E-02 11143 0.333E-01 0.604E+00
RMM: 30 -0.409225986857E+03 -0.12946E+01 -0.29677E-01 13187 0.659E-01 0.501E+00
RMM: 31 -0.409919931982E+03 -0.69395E+00 -0.58775E-01 14663 0.776E-01 0.604E+00
RMM: 32 -0.411133882692E+03 -0.12140E+01 -0.16897E-01 12516 0.441E-01 0.542E+00
RMM: 33 -0.411644411237E+03 -0.51053E+00 -0.12718E-01 11812 0.411E-01 0.299E+00
RMM: 34 -0.411613525948E+03 0.30885E-01 -0.10206E-02 10326 0.122E-01 0.261E+00
RMM: 35 -0.411747400453E+03 -0.13387E+00 -0.13756E-02 10589 0.156E-01 0.279E+00
RMM: 36 -0.412087770032E+03 -0.34037E+00 -0.31484E-02 11763 0.232E-01 0.215E+00
RMM: 37 -0.412418062359E+03 -0.33029E+00 -0.27062E-02 11495 0.207E-01 0.116E+00
RMM: 38 -0.412759288939E+03 -0.34123E+00 -0.15970E-02 11047 0.141E-01 0.114E+00
RMM: 39 -0.412860785461E+03 -0.10150E+00 -0.11680E-02 10886 0.119E-01 0.801E-01
RMM: 40 -0.413002731838E+03 -0.14195E+00 -0.99215E-03 11134 0.106E-01 0.730E-01
RMM: 41 -0.413093814285E+03 -0.91082E-01 -0.77677E-03 11132 0.915E-02 0.577E-01
RMM: 42 -0.413144930916E+03 -0.51117E-01 -0.61530E-03 11133 0.782E-02 0.580E-01
RMM: 43 -0.413238955915E+03 -0.94025E-01 -0.15138E-02 12342 0.107E-01 0.567E-01
RMM: 44 -0.413318937666E+03 -0.79982E-01 -0.10168E-02 12043 0.953E-02 0.398E-01
RMM: 45 -0.413417284519E+03 -0.98347E-01 -0.99764E-03 12025 0.841E-02 0.380E-01
RMM: 46 -0.413466710276E+03 -0.49426E-01 -0.32253E-03 11118 0.521E-02 0.229E-01
RMM: 47 -0.413501033545E+03 -0.34323E-01 -0.13893E-03 10764 0.364E-02 0.200E-01
RMM: 48 -0.413529293446E+03 -0.28260E-01 -0.96340E-04 10888 0.295E-02 0.226E-01
RMM: 49 -0.413568349533E+03 -0.39056E-01 -0.10521E-03 11279 0.313E-02 0.129E-01
RMM: 50 -0.413609243936E+03 -0.40894E-01 -0.44282E-04 10889 0.199E-02 0.933E-02
RMM: 51 -0.413621373208E+03 -0.12129E-01 -0.15507E-04 9761 0.122E-02 0.834E-02
RMM: 52 -0.413641449810E+03 -0.20077E-01 -0.11171E-04 9570 0.987E-03 0.802E-02
RMM: 53 -0.413651590578E+03 -0.10141E-01 -0.77218E-05 9295 0.881E-03 0.559E-02
RMM: 54 -0.413656919411E+03 -0.53288E-02 -0.67520E-05 8906 0.790E-03 0.552E-02
RMM: 55 -0.413658934958E+03 -0.20155E-02 -0.27117E-05 7627 0.513E-03 0.426E-02
RMM: 56 -0.413658825887E+03 0.10907E-03 -0.10446E-05 6351 0.378E-03 0.201E-02
RMM: 57 -0.413659966839E+03 -0.11410E-02 -0.13449E-05 6721 0.407E-03 0.235E-02
RMM: 58 -0.413660658692E+03 -0.69185E-03 -0.76948E-06 6605 0.283E-03 0.186E-02
RMM: 59 -0.413660937967E+03 -0.27927E-03 -0.53118E-06 6528 0.222E-03 0.113E-02
RMM: 60 -0.413661150978E+03 -0.21301E-03 -0.24557E-06 5050 0.148E-03 0.865E-03
RMM: 61 -0.413661397156E+03 -0.24618E-03 -0.37536E-06 6272 0.176E-03 0.218E-02
RMM: 62 -0.413661430517E+03 -0.33361E-04 -0.63822E-07 3580 0.994E-04 0.200E-02
RMM: 63 -0.413661436156E+03 -0.56388E-05 -0.16394E-07 2716 0.902E-04
1 F= -.45141476E+03 E0= -.45141416E+03 d E =-.177523E-02 mag= -0.0031