iterations/neb3_max1_image03_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422452404611E+04 0.42245E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104077064719E+03 -0.43286E+04 -0.39301E+04 11000 0.248E+02
DAV: 3 -0.425988448834E+03 -0.32191E+03 -0.30137E+03 10304 0.656E+01
DAV: 4 -0.434453782513E+03 -0.84653E+01 -0.83593E+01 10896 0.107E+01
DAV: 5 -0.434741164797E+03 -0.28738E+00 -0.28657E+00 11200 0.190E+00 0.102E+02
RMM: 6 -0.380144813915E+03 0.54596E+02 -0.10853E+02 9701 0.142E+01 0.693E+01
RMM: 7 -0.670056661528E+03 -0.28991E+03 -0.30149E+02 10716 0.177E+01 0.129E+02
RMM: 8 -0.520832181354E+03 0.14922E+03 -0.11953E+02 10271 0.115E+01 0.927E+01
RMM: 9 -0.391288192821E+03 0.12954E+03 -0.61735E+01 10228 0.996E+00 0.428E+01
RMM: 10 -0.381095160529E+03 0.10193E+02 -0.31711E+01 10148 0.739E+00 0.298E+01
RMM: 11 -0.400683409428E+03 -0.19588E+02 -0.18024E+01 10291 0.532E+00 0.487E+01
RMM: 12 -0.377180681521E+03 0.23503E+02 -0.56801E+00 9706 0.336E+00 0.249E+01
RMM: 13 -0.374835177142E+03 0.23455E+01 -0.21266E+00 10059 0.190E+00 0.181E+01
RMM: 14 -0.377137737492E+03 -0.23026E+01 -0.15973E+00 10383 0.164E+00 0.121E+01
RMM: 15 -0.382848431242E+03 -0.57107E+01 -0.15018E+00 10544 0.159E+00 0.170E+01
RMM: 16 -0.385032821542E+03 -0.21844E+01 -0.96232E-01 10433 0.128E+00 0.174E+01
RMM: 17 -0.386397490620E+03 -0.13647E+01 -0.59751E-01 10249 0.981E-01 0.133E+01
RMM: 18 -0.389632532711E+03 -0.32350E+01 -0.10576E+00 11243 0.119E+00 0.846E+00
RMM: 19 -0.393082525669E+03 -0.34500E+01 -0.71905E-01 11027 0.102E+00 0.611E+00
RMM: 20 -0.397045486308E+03 -0.39630E+01 -0.10008E+00 11547 0.110E+00 0.590E+00
RMM: 21 -0.399630273940E+03 -0.25848E+01 -0.64471E-01 11316 0.870E-01 0.532E+00
RMM: 22 -0.404173552941E+03 -0.45433E+01 -0.15872E+00 12495 0.118E+00 0.521E+00
RMM: 23 -0.408556660754E+03 -0.43831E+01 -0.20569E+00 12984 0.125E+00 0.471E+00
RMM: 24 -0.411436810659E+03 -0.28801E+01 -0.17857E+00 12951 0.111E+00 0.570E+00
RMM: 25 -0.412619413196E+03 -0.11826E+01 -0.23647E-01 11076 0.466E-01 0.541E+00
RMM: 26 -0.412924736943E+03 -0.30532E+00 -0.30617E-02 10752 0.170E-01 0.533E+00
RMM: 27 -0.413461528917E+03 -0.53679E+00 -0.68192E-02 11232 0.241E-01 0.525E+00
RMM: 28 -0.414059369773E+03 -0.59784E+00 -0.39976E-01 14287 0.657E-01 0.414E+00
RMM: 29 -0.414422900904E+03 -0.36353E+00 -0.80253E-02 11770 0.347E-01 0.397E+00
RMM: 30 -0.414918281552E+03 -0.49538E+00 -0.58041E-02 11186 0.302E-01 0.306E+00
RMM: 31 -0.415657930069E+03 -0.73965E+00 -0.61495E-02 11290 0.316E-01 0.239E+00
RMM: 32 -0.415923818757E+03 -0.26589E+00 -0.58319E-02 11361 0.288E-01 0.248E+00
RMM: 33 -0.415992849237E+03 -0.69030E-01 -0.16049E-02 10293 0.161E-01 0.211E+00
RMM: 34 -0.416129913429E+03 -0.13706E+00 -0.10597E-02 10438 0.121E-01 0.167E+00
RMM: 35 -0.416243553487E+03 -0.11364E+00 -0.88199E-03 10711 0.107E-01 0.143E+00
RMM: 36 -0.416327716600E+03 -0.84163E-01 -0.59384E-03 10571 0.878E-02 0.118E+00
RMM: 37 -0.416402808427E+03 -0.75092E-01 -0.37851E-03 10545 0.645E-02 0.101E+00
RMM: 38 -0.416488970101E+03 -0.86162E-01 -0.54182E-03 11263 0.733E-02 0.848E-01
RMM: 39 -0.416570627343E+03 -0.81657E-01 -0.71346E-03 11960 0.817E-02 0.651E-01
RMM: 40 -0.416652017654E+03 -0.81390E-01 -0.75964E-03 12124 0.849E-02 0.544E-01
RMM: 41 -0.416712209983E+03 -0.60192E-01 -0.77280E-03 12131 0.837E-02 0.495E-01
RMM: 42 -0.416757780194E+03 -0.45570E-01 -0.55601E-03 11726 0.723E-02 0.439E-01
RMM: 43 -0.416817156193E+03 -0.59376E-01 -0.26422E-03 11056 0.494E-02 0.370E-01
RMM: 44 -0.416871490633E+03 -0.54334E-01 -0.24532E-03 11259 0.451E-02 0.298E-01
RMM: 45 -0.416959933848E+03 -0.88443E-01 -0.58937E-03 12276 0.603E-02 0.241E-01
RMM: 46 -0.417019164863E+03 -0.59231E-01 -0.23493E-03 11583 0.400E-02 0.196E-01
RMM: 47 -0.417062844979E+03 -0.43680E-01 -0.15900E-03 11521 0.330E-02 0.154E-01
RMM: 48 -0.417088561876E+03 -0.25717E-01 -0.64327E-04 10999 0.219E-02 0.122E-01
RMM: 49 -0.417114437839E+03 -0.25876E-01 -0.54581E-04 11245 0.191E-02 0.968E-02
RMM: 50 -0.417130173030E+03 -0.15735E-01 -0.26939E-04 10709 0.144E-02 0.769E-02
RMM: 51 -0.417138900819E+03 -0.87278E-02 -0.14175E-04 10192 0.121E-02 0.608E-02
RMM: 52 -0.417143211026E+03 -0.43102E-02 -0.86877E-05 9100 0.835E-03 0.477E-02
RMM: 53 -0.417145205325E+03 -0.19943E-02 -0.54160E-05 8397 0.633E-03 0.327E-02
RMM: 54 -0.417145772980E+03 -0.56765E-03 -0.19339E-05 7267 0.405E-03 0.202E-02
RMM: 55 -0.417145942619E+03 -0.16964E-03 -0.73155E-06 6423 0.268E-03 0.161E-02
RMM: 56 -0.417145858037E+03 0.84582E-04 -0.64101E-06 6528 0.238E-03 0.943E-03
RMM: 57 -0.417146035610E+03 -0.17757E-03 -0.35167E-06 5352 0.170E-03 0.590E-03
RMM: 58 -0.417146200231E+03 -0.16462E-03 -0.31844E-06 5047 0.152E-03 0.422E-03
RMM: 59 -0.417146382414E+03 -0.18218E-03 -0.27559E-06 4719 0.134E-03 0.352E-03
RMM: 60 -0.417146513477E+03 -0.13106E-03 -0.14209E-06 3729 0.106E-03 0.327E-03
RMM: 61 -0.417146639789E+03 -0.12631E-03 -0.12733E-06 3739 0.103E-03 0.278E-03
RMM: 62 -0.417146730279E+03 -0.90490E-04 -0.96658E-07 3498 0.100E-03 0.247E-03
RMM: 63 -0.417146812285E+03 -0.82007E-04 -0.12591E-06 3929 0.107E-03 0.164E-03
RMM: 64 -0.417146902088E+03 -0.89803E-04 -0.64322E-07 3364 0.944E-04 0.147E-03
RMM: 65 -0.417146955343E+03 -0.53255E-04 -0.28467E-07 2870 0.889E-04 0.372E-03
RMM: 66 -0.417146946261E+03 0.90813E-05 -0.72256E-08 2498 0.822E-04
1 F= -.45482306E+03 E0= -.45482391E+03 d E =0.257034E-02 mag= 0.0014