iterations/neb2_max2_image02_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422513650750E+04 0.42251E+04 -0.25382E+05 8992 0.103E+03
DAV: 2 -0.102606874576E+03 -0.43277E+04 -0.39254E+04 11000 0.248E+02
DAV: 3 -0.425499385667E+03 -0.32289E+03 -0.30229E+03 10216 0.657E+01
DAV: 4 -0.434173845531E+03 -0.86745E+01 -0.85435E+01 10872 0.108E+01
DAV: 5 -0.434472029510E+03 -0.29818E+00 -0.29730E+00 11176 0.195E+00 0.992E+01
RMM: 6 -0.384590742426E+03 0.49881E+02 -0.11092E+02 9684 0.146E+01 0.719E+01
RMM: 7 -0.770412443927E+03 -0.38582E+03 -0.40529E+02 11231 0.191E+01 0.153E+02
RMM: 8 -0.493223758392E+03 0.27719E+03 -0.99997E+01 9979 0.106E+01 0.905E+01
RMM: 9 -0.433608949920E+03 0.59615E+02 -0.68116E+01 10202 0.106E+01 0.636E+01
RMM: 10 -0.372110469311E+03 0.61498E+02 -0.33386E+01 10305 0.745E+00 0.230E+01
RMM: 11 -0.372663077037E+03 -0.55261E+00 -0.15719E+01 10346 0.450E+00 0.290E+01
RMM: 12 -0.372580124726E+03 0.82952E-01 -0.37869E+00 10066 0.260E+00 0.220E+01
RMM: 13 -0.374497212194E+03 -0.19171E+01 -0.26222E+00 10143 0.231E+00 0.142E+01
RMM: 14 -0.380609584902E+03 -0.61124E+01 -0.16731E+00 10246 0.172E+00 0.162E+01
RMM: 15 -0.382288745414E+03 -0.16792E+01 -0.93256E-01 10190 0.125E+00 0.128E+01
RMM: 16 -0.388373535076E+03 -0.60848E+01 -0.20450E+00 11389 0.165E+00 0.116E+01
RMM: 17 -0.391495376081E+03 -0.31218E+01 -0.97576E-01 10740 0.119E+00 0.764E+00
RMM: 18 -0.393845299572E+03 -0.23499E+01 -0.30437E-01 10229 0.669E-01 0.755E+00
RMM: 19 -0.395877584697E+03 -0.20323E+01 -0.38493E-01 10950 0.673E-01 0.740E+00
RMM: 20 -0.399053878299E+03 -0.31763E+01 -0.96970E-01 12094 0.997E-01 0.665E+00
RMM: 21 -0.402148776058E+03 -0.30949E+01 -0.78136E-01 11999 0.881E-01 0.513E+00
RMM: 22 -0.407495961233E+03 -0.53472E+01 -0.19440E+00 13278 0.127E+00 0.470E+00
RMM: 23 -0.410484469766E+03 -0.29885E+01 -0.10931E+00 12563 0.951E-01 0.473E+00
RMM: 24 -0.411204618144E+03 -0.72015E+00 -0.10681E-01 10648 0.330E-01 0.476E+00
RMM: 25 -0.410771447562E+03 0.43317E+00 -0.43233E-02 10272 0.244E-01 0.477E+00
RMM: 26 -0.410044638670E+03 0.72681E+00 -0.13365E-01 11568 0.421E-01 0.457E+00
RMM: 27 -0.409538145116E+03 0.50649E+00 -0.17322E-01 12009 0.520E-01 0.500E+00
RMM: 28 -0.409009925849E+03 0.52822E+00 -0.10608E-01 11214 0.419E-01 0.660E+00
RMM: 29 -0.411047569496E+03 -0.20376E+01 -0.12801E+00 14874 0.123E+00 0.549E+00
RMM: 30 -0.411780111221E+03 -0.73254E+00 -0.82103E-01 14673 0.859E-01 0.637E+00
RMM: 31 -0.413114193460E+03 -0.13341E+01 -0.24717E-01 12796 0.493E-01 0.442E+00
RMM: 32 -0.413491162130E+03 -0.37697E+00 -0.80717E-02 11205 0.331E-01 0.344E+00
RMM: 33 -0.413740819935E+03 -0.24966E+00 -0.13934E-02 10262 0.164E-01 0.305E+00
RMM: 34 -0.414416300888E+03 -0.67548E+00 -0.41587E-02 11295 0.272E-01 0.273E+00
RMM: 35 -0.414589032987E+03 -0.17273E+00 -0.16385E-02 10520 0.163E-01 0.219E+00
RMM: 36 -0.414745869281E+03 -0.15684E+00 -0.90493E-03 10288 0.114E-01 0.192E+00
RMM: 37 -0.414944824819E+03 -0.19896E+00 -0.12056E-02 10904 0.123E-01 0.171E+00
RMM: 38 -0.415051244791E+03 -0.10642E+00 -0.71729E-03 10625 0.960E-02 0.125E+00
RMM: 39 -0.415317292701E+03 -0.26605E+00 -0.77406E-03 11178 0.922E-02 0.111E+00
RMM: 40 -0.415416994105E+03 -0.99701E-01 -0.51478E-03 10989 0.758E-02 0.993E-01
RMM: 41 -0.415504573416E+03 -0.87579E-01 -0.11276E-02 12234 0.103E-01 0.663E-01
RMM: 42 -0.415569593042E+03 -0.65020E-01 -0.81044E-03 11863 0.878E-02 0.521E-01
RMM: 43 -0.415647781446E+03 -0.78188E-01 -0.12214E-02 12431 0.101E-01 0.438E-01
RMM: 44 -0.415695240592E+03 -0.47459E-01 -0.82045E-03 11848 0.850E-02 0.319E-01
RMM: 45 -0.415748602687E+03 -0.53362E-01 -0.58874E-03 11514 0.671E-02 0.328E-01
RMM: 46 -0.415795454131E+03 -0.46851E-01 -0.18808E-03 10934 0.394E-02 0.291E-01
RMM: 47 -0.415833285575E+03 -0.37831E-01 -0.12641E-03 10943 0.317E-02 0.232E-01
RMM: 48 -0.415898500475E+03 -0.65215E-01 -0.25837E-03 11974 0.416E-02 0.192E-01
RMM: 49 -0.415941452584E+03 -0.42952E-01 -0.79904E-04 11101 0.249E-02 0.145E-01
RMM: 50 -0.415989157809E+03 -0.47705E-01 -0.98412E-04 11623 0.266E-02 0.840E-02
RMM: 51 -0.416008864569E+03 -0.19707E-01 -0.44407E-04 10965 0.181E-02 0.709E-02
RMM: 52 -0.416017139252E+03 -0.82747E-02 -0.16095E-04 9810 0.115E-02 0.650E-02
RMM: 53 -0.416020379693E+03 -0.32404E-02 -0.84623E-05 8989 0.792E-03 0.525E-02
RMM: 54 -0.416022250658E+03 -0.18710E-02 -0.51149E-05 8268 0.637E-03 0.323E-02
RMM: 55 -0.416022928381E+03 -0.67772E-03 -0.24958E-05 7476 0.475E-03 0.199E-02
RMM: 56 -0.416022338488E+03 0.58989E-03 -0.13183E-05 6752 0.363E-03 0.138E-02
RMM: 57 -0.416022719786E+03 -0.38130E-03 -0.63321E-06 6451 0.254E-03 0.126E-02
RMM: 58 -0.416022913933E+03 -0.19415E-03 -0.44494E-06 5439 0.180E-03 0.991E-03
RMM: 59 -0.416023055582E+03 -0.14165E-03 -0.38465E-06 5446 0.166E-03 0.472E-03
RMM: 60 -0.416023180030E+03 -0.12445E-03 -0.20193E-06 4533 0.129E-03 0.303E-03
RMM: 61 -0.416023311200E+03 -0.13117E-03 -0.11571E-06 3772 0.108E-03 0.233E-03
RMM: 62 -0.416023433294E+03 -0.12209E-03 -0.89909E-07 3636 0.100E-03 0.291E-03
RMM: 63 -0.416023516742E+03 -0.83448E-04 -0.10138E-06 3992 0.110E-03 0.107E-02
RMM: 64 -0.416023523030E+03 -0.62878E-05 -0.14884E-07 2566 0.875E-04
1 F= -.45375025E+03 E0= -.45374980E+03 d E =-.136110E-02 mag= -0.0008