iterations/neb3_max1_image03_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422525591057E+04 0.42253E+04 -0.25389E+05 9008 0.103E+03
DAV: 2 -0.104185886549E+03 -0.43294E+04 -0.39307E+04 11008 0.248E+02
DAV: 3 -0.425984582481E+03 -0.32180E+03 -0.30131E+03 10312 0.656E+01
DAV: 4 -0.434445708023E+03 -0.84611E+01 -0.83570E+01 10864 0.107E+01
DAV: 5 -0.434733255015E+03 -0.28755E+00 -0.28676E+00 11224 0.190E+00 0.102E+02
RMM: 6 -0.379238652136E+03 0.55495E+02 -0.10968E+02 9712 0.143E+01 0.695E+01
RMM: 7 -0.610632643412E+03 -0.23139E+03 -0.25304E+02 10452 0.169E+01 0.114E+02
RMM: 8 -0.523218786940E+03 0.87414E+02 -0.11602E+02 10297 0.116E+01 0.912E+01
RMM: 9 -0.390679997478E+03 0.13254E+03 -0.52399E+01 10176 0.903E+00 0.411E+01
RMM: 10 -0.396219244630E+03 -0.55392E+01 -0.29962E+01 10146 0.702E+00 0.442E+01
RMM: 11 -0.376038288287E+03 0.20181E+02 -0.98602E+00 9870 0.420E+00 0.156E+01
RMM: 12 -0.378336808947E+03 -0.22985E+01 -0.23120E+00 10328 0.186E+00 0.154E+01
RMM: 13 -0.379153116536E+03 -0.81631E+00 -0.13563E+00 10209 0.149E+00 0.125E+01
RMM: 14 -0.381847753387E+03 -0.26946E+01 -0.84027E-01 10267 0.118E+00 0.100E+01
RMM: 15 -0.385911098858E+03 -0.40633E+01 -0.56200E-01 10350 0.988E-01 0.995E+00
RMM: 16 -0.388546688864E+03 -0.26356E+01 -0.75735E-01 10895 0.109E+00 0.930E+00
RMM: 17 -0.392621970263E+03 -0.40753E+01 -0.14133E+00 11692 0.134E+00 0.691E+00
RMM: 18 -0.396131560439E+03 -0.35096E+01 -0.86241E-01 11360 0.104E+00 0.643E+00
RMM: 19 -0.399576307587E+03 -0.34447E+01 -0.10108E+00 11684 0.105E+00 0.659E+00
RMM: 20 -0.401831286233E+03 -0.22550E+01 -0.73750E-01 11412 0.885E-01 0.584E+00
RMM: 21 -0.405990789797E+03 -0.41595E+01 -0.17897E+00 12598 0.123E+00 0.539E+00
RMM: 22 -0.409467289633E+03 -0.34765E+01 -0.12702E+00 12410 0.998E-01 0.573E+00
RMM: 23 -0.410736558971E+03 -0.12693E+01 -0.29822E-01 11180 0.502E-01 0.582E+00
RMM: 24 -0.410660661142E+03 0.75898E-01 -0.32041E-02 10340 0.207E-01 0.588E+00
RMM: 25 -0.409852173964E+03 0.80849E+00 -0.15168E-01 11265 0.404E-01 0.533E+00
RMM: 26 -0.409269279341E+03 0.58289E+00 -0.21341E-01 12216 0.553E-01 0.528E+00
RMM: 27 -0.408679876254E+03 0.58940E+00 -0.15416E-01 11850 0.485E-01 0.624E+00
RMM: 28 -0.410545321966E+03 -0.18654E+01 -0.64482E-01 13256 0.914E-01 0.605E+00
RMM: 29 -0.411759836752E+03 -0.12145E+01 -0.29326E-01 12746 0.563E-01 0.689E+00
RMM: 30 -0.412870865975E+03 -0.11110E+01 -0.71174E-01 14242 0.846E-01 0.473E+00
RMM: 31 -0.414054307267E+03 -0.11834E+01 -0.45953E-01 13754 0.688E-01 0.476E+00
RMM: 32 -0.413981045659E+03 0.73262E-01 -0.33813E-02 10601 0.233E-01 0.399E+00
RMM: 33 -0.414657922252E+03 -0.67688E+00 -0.71115E-02 11179 0.348E-01 0.302E+00
RMM: 34 -0.415102054061E+03 -0.44413E+00 -0.39708E-02 10930 0.252E-01 0.286E+00
RMM: 35 -0.415289851521E+03 -0.18780E+00 -0.23095E-02 10566 0.188E-01 0.239E+00
RMM: 36 -0.415636623161E+03 -0.34677E+00 -0.19572E-02 10730 0.159E-01 0.182E+00
RMM: 37 -0.415994746333E+03 -0.35812E+00 -0.12870E-02 10670 0.132E-01 0.141E+00
RMM: 38 -0.416223960881E+03 -0.22921E+00 -0.12045E-02 10932 0.127E-01 0.120E+00
RMM: 39 -0.416347755163E+03 -0.12379E+00 -0.15828E-02 11532 0.136E-01 0.110E+00
RMM: 40 -0.416324211681E+03 0.23543E-01 -0.11133E-02 11219 0.111E-01 0.941E-01
RMM: 41 -0.416428631726E+03 -0.10442E+00 -0.98361E-03 11301 0.966E-02 0.783E-01
RMM: 42 -0.416600987726E+03 -0.17236E+00 -0.98627E-03 11420 0.971E-02 0.622E-01
RMM: 43 -0.416683897391E+03 -0.82910E-01 -0.78499E-03 11322 0.854E-02 0.548E-01
RMM: 44 -0.416763197672E+03 -0.79300E-01 -0.55632E-03 11224 0.711E-02 0.450E-01
RMM: 45 -0.416843713507E+03 -0.80516E-01 -0.42843E-03 11253 0.597E-02 0.305E-01
RMM: 46 -0.416911121634E+03 -0.67408E-01 -0.44738E-03 11526 0.563E-02 0.218E-01
RMM: 47 -0.416962696016E+03 -0.51574E-01 -0.27635E-03 11363 0.442E-02 0.225E-01
RMM: 48 -0.417025376163E+03 -0.62680E-01 -0.19729E-03 11415 0.339E-02 0.252E-01
RMM: 49 -0.417070461754E+03 -0.45086E-01 -0.77801E-04 10978 0.241E-02 0.160E-01
RMM: 50 -0.417104053827E+03 -0.33592E-01 -0.51184E-04 11060 0.210E-02 0.776E-02
RMM: 51 -0.417118126313E+03 -0.14072E-01 -0.18218E-04 10552 0.142E-02 0.615E-02
RMM: 52 -0.417127728898E+03 -0.96026E-02 -0.98088E-05 9074 0.931E-03 0.577E-02
RMM: 53 -0.417134073287E+03 -0.63444E-02 -0.77217E-05 8787 0.737E-03 0.271E-02
RMM: 54 -0.417136315675E+03 -0.22424E-02 -0.32953E-05 7778 0.482E-03 0.186E-02
RMM: 55 -0.417136900892E+03 -0.58522E-03 -0.12962E-05 6764 0.300E-03 0.114E-02
RMM: 56 -0.417137109511E+03 -0.20862E-03 -0.64895E-06 6403 0.216E-03 0.100E-02
RMM: 57 -0.417137295576E+03 -0.18606E-03 -0.38865E-06 4963 0.162E-03 0.735E-03
RMM: 58 -0.417137393126E+03 -0.97551E-04 -0.29731E-06 4989 0.147E-03 0.635E-03
RMM: 59 -0.417137472579E+03 -0.79453E-04 -0.16969E-06 4144 0.118E-03 0.563E-03
RMM: 60 -0.417137542495E+03 -0.69916E-04 -0.11009E-06 3792 0.106E-03 0.408E-03
RMM: 61 -0.417137604305E+03 -0.61810E-04 -0.71568E-07 3602 0.990E-04 0.266E-03
RMM: 62 -0.417137690427E+03 -0.86122E-04 -0.60407E-07 3405 0.953E-04 0.242E-03
RMM: 63 -0.417137768865E+03 -0.78438E-04 -0.70249E-07 3573 0.989E-04 0.202E-03
RMM: 64 -0.417137839448E+03 -0.70583E-04 -0.26402E-07 2772 0.865E-04 0.162E-03
RMM: 65 -0.417137888440E+03 -0.48992E-04 -0.28627E-07 2867 0.881E-04 0.134E-03
RMM: 66 -0.417137928110E+03 -0.39669E-04 -0.37800E-07 3088 0.902E-04 0.935E-04
RMM: 67 -0.417137955472E+03 -0.27362E-04 -0.28728E-07 2905 0.885E-04 0.940E-04
RMM: 68 -0.417137965130E+03 -0.96582E-05 -0.11419E-07 2499 0.829E-04
1 F= -.45481212E+03 E0= -.45481296E+03 d E =0.252291E-02 mag= -0.0004