iterations/neb3_max1_image03_iter25_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421378843620E+04 0.42138E+04 -0.25379E+05 9008 0.103E+03
DAV: 2 -0.105680183155E+03 -0.43195E+04 -0.39232E+04 11000 0.248E+02
DAV: 3 -0.427427075391E+03 -0.32175E+03 -0.30073E+03 10248 0.655E+01
DAV: 4 -0.435913739682E+03 -0.84867E+01 -0.83885E+01 10768 0.107E+01
DAV: 5 -0.436204581679E+03 -0.29084E+00 -0.29015E+00 11160 0.193E+00 0.997E+01
RMM: 6 -0.386247128527E+03 0.49957E+02 -0.11019E+02 9709 0.145E+01 0.708E+01
RMM: 7 -0.643736562406E+03 -0.25749E+03 -0.26937E+02 10665 0.168E+01 0.124E+02
RMM: 8 -0.522566779096E+03 0.12117E+03 -0.11507E+02 10300 0.113E+01 0.932E+01
RMM: 9 -0.391683662622E+03 0.13088E+03 -0.67195E+01 10279 0.104E+01 0.442E+01
RMM: 10 -0.377495870894E+03 0.14188E+02 -0.30606E+01 10145 0.731E+00 0.294E+01
RMM: 11 -0.402298454774E+03 -0.24803E+02 -0.17329E+01 10348 0.517E+00 0.494E+01
RMM: 12 -0.378263851137E+03 0.24035E+02 -0.62336E+00 9830 0.344E+00 0.279E+01
RMM: 13 -0.375299934203E+03 0.29639E+01 -0.20500E+00 9990 0.191E+00 0.197E+01
RMM: 14 -0.376649119477E+03 -0.13492E+01 -0.15734E+00 10356 0.162E+00 0.116E+01
RMM: 15 -0.382254901153E+03 -0.56058E+01 -0.13961E+00 10572 0.148E+00 0.159E+01
RMM: 16 -0.384871330707E+03 -0.26164E+01 -0.98147E-01 10501 0.129E+00 0.162E+01
RMM: 17 -0.387315309057E+03 -0.24440E+01 -0.75845E-01 10399 0.109E+00 0.133E+01
RMM: 18 -0.391046096895E+03 -0.37308E+01 -0.12579E+00 11389 0.131E+00 0.893E+00
RMM: 19 -0.394364421004E+03 -0.33183E+01 -0.73964E-01 10881 0.103E+00 0.651E+00
RMM: 20 -0.398367060893E+03 -0.40026E+01 -0.12322E+00 11603 0.121E+00 0.728E+00
RMM: 21 -0.400810206526E+03 -0.24431E+01 -0.86731E-01 11404 0.966E-01 0.764E+00
RMM: 22 -0.403974622502E+03 -0.31644E+01 -0.14697E+00 12285 0.113E+00 0.706E+00
RMM: 23 -0.407275186131E+03 -0.33006E+01 -0.16291E+00 12586 0.114E+00 0.620E+00
RMM: 24 -0.410394535623E+03 -0.31193E+01 -0.13300E+00 12339 0.996E-01 0.585E+00
RMM: 25 -0.412077241714E+03 -0.16827E+01 -0.19096E-01 10892 0.422E-01 0.527E+00
RMM: 26 -0.412275816724E+03 -0.19858E+00 -0.18488E-02 10635 0.148E-01 0.529E+00
RMM: 27 -0.412796395449E+03 -0.52058E+00 -0.34899E-02 10965 0.190E-01 0.535E+00
RMM: 28 -0.414308160655E+03 -0.15118E+01 -0.44628E-01 14376 0.580E-01 0.455E+00
RMM: 29 -0.414670103845E+03 -0.36194E+00 -0.19055E-01 13913 0.500E-01 0.473E+00
RMM: 30 -0.414641460686E+03 0.28643E-01 -0.52713E-02 11549 0.295E-01 0.455E+00
RMM: 31 -0.414894798839E+03 -0.25334E+00 -0.52784E-02 11352 0.295E-01 0.397E+00
RMM: 32 -0.415648245983E+03 -0.75345E+00 -0.77858E-02 12080 0.337E-01 0.319E+00
RMM: 33 -0.416235918057E+03 -0.58767E+00 -0.35250E-02 11031 0.222E-01 0.275E+00
RMM: 34 -0.416526266110E+03 -0.29035E+00 -0.15192E-02 10526 0.149E-01 0.233E+00
RMM: 35 -0.416688566014E+03 -0.16230E+00 -0.11702E-02 10574 0.126E-01 0.194E+00
RMM: 36 -0.416821161354E+03 -0.13260E+00 -0.14120E-02 11069 0.133E-01 0.151E+00
RMM: 37 -0.416930829401E+03 -0.10967E+00 -0.83132E-03 10666 0.101E-01 0.124E+00
RMM: 38 -0.417028924926E+03 -0.98096E-01 -0.72787E-03 10864 0.917E-02 0.963E-01
RMM: 39 -0.417120445789E+03 -0.91521E-01 -0.43292E-03 10631 0.711E-02 0.796E-01
RMM: 40 -0.417216350540E+03 -0.95905E-01 -0.33438E-03 10797 0.622E-02 0.648E-01
RMM: 41 -0.417336222110E+03 -0.11987E+00 -0.72366E-03 11967 0.848E-02 0.430E-01
RMM: 42 -0.417395779883E+03 -0.59558E-01 -0.10028E-02 12413 0.946E-02 0.424E-01
RMM: 43 -0.417447740930E+03 -0.51961E-01 -0.79380E-03 11942 0.796E-02 0.434E-01
RMM: 44 -0.417536256928E+03 -0.88516E-01 -0.51827E-03 11383 0.605E-02 0.374E-01
RMM: 45 -0.417597649612E+03 -0.61393E-01 -0.35886E-03 11340 0.501E-02 0.307E-01
RMM: 46 -0.417658405868E+03 -0.60756E-01 -0.36552E-03 11692 0.484E-02 0.221E-01
RMM: 47 -0.417688211693E+03 -0.29806E-01 -0.10276E-03 10943 0.282E-02 0.170E-01
RMM: 48 -0.417729167067E+03 -0.40955E-01 -0.96792E-04 11259 0.252E-02 0.121E-01
RMM: 49 -0.417762050833E+03 -0.32884E-01 -0.52064E-04 11098 0.200E-02 0.111E-01
RMM: 50 -0.417794487741E+03 -0.32437E-01 -0.38607E-04 10774 0.164E-02 0.139E-01
RMM: 51 -0.417806925375E+03 -0.12438E-01 -0.23892E-04 10394 0.125E-02 0.967E-02
RMM: 52 -0.417811322935E+03 -0.43976E-02 -0.13797E-04 10222 0.108E-02 0.488E-02
RMM: 53 -0.417812117885E+03 -0.79495E-03 -0.39494E-05 8303 0.639E-03 0.389E-02
RMM: 54 -0.417813156058E+03 -0.10382E-02 -0.35736E-05 7817 0.602E-03 0.268E-02
RMM: 55 -0.417813975194E+03 -0.81914E-03 -0.35483E-05 7819 0.521E-03 0.250E-02
RMM: 56 -0.417813298223E+03 0.67697E-03 -0.12668E-05 6626 0.371E-03 0.152E-02
RMM: 57 -0.417813888199E+03 -0.58998E-03 -0.11182E-05 6820 0.308E-03 0.115E-02
RMM: 58 -0.417814163517E+03 -0.27532E-03 -0.67348E-06 5993 0.204E-03 0.668E-03
RMM: 59 -0.417814313053E+03 -0.14954E-03 -0.45907E-06 5222 0.165E-03 0.416E-03
RMM: 60 -0.417814455388E+03 -0.14234E-03 -0.23157E-06 4242 0.128E-03 0.346E-03
RMM: 61 -0.417814620897E+03 -0.16551E-03 -0.16767E-06 3997 0.116E-03 0.313E-03
RMM: 62 -0.417814738051E+03 -0.11715E-03 -0.13769E-06 4013 0.113E-03 0.353E-03
RMM: 63 -0.417814813533E+03 -0.75481E-04 -0.10181E-06 3854 0.102E-03 0.265E-03
RMM: 64 -0.417814851573E+03 -0.38040E-04 -0.36442E-07 2974 0.849E-04 0.214E-03
RMM: 65 -0.417814895781E+03 -0.44208E-04 -0.58632E-07 3547 0.971E-04 0.778E-03
RMM: 66 -0.417814905064E+03 -0.92834E-05 -0.58409E-08 2417 0.805E-04
1 F= -.45543965E+03 E0= -.45544006E+03 d E =0.122002E-02 mag= -0.0004