iterations/neb3_max1_image02_iter29_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421732563940E+04 0.42173E+04 -0.25383E+05 9008 0.103E+03
DAV: 2 -0.105834665802E+03 -0.43232E+04 -0.39266E+04 11024 0.248E+02
DAV: 3 -0.427080318696E+03 -0.32125E+03 -0.30061E+03 10248 0.655E+01
DAV: 4 -0.435568034855E+03 -0.84877E+01 -0.83884E+01 10824 0.107E+01
DAV: 5 -0.435854071826E+03 -0.28604E+00 -0.28538E+00 11176 0.191E+00 0.100E+02
RMM: 6 -0.387696006812E+03 0.48158E+02 -0.10861E+02 9697 0.143E+01 0.720E+01
RMM: 7 -0.765704616949E+03 -0.37801E+03 -0.40865E+02 11223 0.188E+01 0.144E+02
RMM: 8 -0.497526477718E+03 0.26818E+03 -0.11443E+02 10091 0.112E+01 0.910E+01
RMM: 9 -0.404404125935E+03 0.93122E+02 -0.68945E+01 10202 0.107E+01 0.528E+01
RMM: 10 -0.396978475616E+03 0.74257E+01 -0.42845E+01 10298 0.851E+00 0.453E+01
RMM: 11 -0.390718714477E+03 0.62598E+01 -0.24233E+01 10281 0.598E+00 0.464E+01
RMM: 12 -0.375469405656E+03 0.15249E+02 -0.76652E+00 9940 0.374E+00 0.280E+01
RMM: 13 -0.375513443198E+03 -0.44038E-01 -0.31139E+00 10146 0.238E+00 0.237E+01
RMM: 14 -0.374557294097E+03 0.95615E+00 -0.12882E+00 10123 0.151E+00 0.155E+01
RMM: 15 -0.377730111316E+03 -0.31728E+01 -0.12922E+00 10469 0.147E+00 0.124E+01
RMM: 16 -0.383466409059E+03 -0.57363E+01 -0.13638E+00 10648 0.152E+00 0.144E+01
RMM: 17 -0.387129729434E+03 -0.36633E+01 -0.14991E+00 10885 0.149E+00 0.100E+01
RMM: 18 -0.390433409409E+03 -0.33037E+01 -0.73684E-01 10471 0.105E+00 0.717E+00
RMM: 19 -0.394232898948E+03 -0.37995E+01 -0.73272E-01 10902 0.995E-01 0.663E+00
RMM: 20 -0.397619701774E+03 -0.33868E+01 -0.10033E+00 11516 0.113E+00 0.718E+00
RMM: 21 -0.400462996959E+03 -0.28433E+01 -0.10398E+00 11769 0.107E+00 0.676E+00
RMM: 22 -0.402998820595E+03 -0.25358E+01 -0.72598E-01 11561 0.861E-01 0.608E+00
RMM: 23 -0.407315603596E+03 -0.43168E+01 -0.19169E+00 12830 0.123E+00 0.648E+00
RMM: 24 -0.409335287884E+03 -0.20197E+01 -0.65173E-01 11851 0.733E-01 0.697E+00
RMM: 25 -0.409577305894E+03 -0.24202E+00 -0.89968E-02 10656 0.291E-01 0.647E+00
RMM: 26 -0.409850792879E+03 -0.27349E+00 -0.22559E-02 10705 0.134E-01 0.635E+00
RMM: 27 -0.409799303367E+03 0.51490E-01 -0.36859E-03 10296 0.678E-02 0.616E+00
RMM: 28 -0.409575058415E+03 0.22424E+00 -0.23824E-02 11436 0.167E-01 0.638E+00
RMM: 29 -0.408807154344E+03 0.76790E+00 -0.17110E-01 15150 0.480E-01 0.602E+00
RMM: 30 -0.408657724643E+03 0.14943E+00 -0.20523E-01 15790 0.547E-01 0.629E+00
RMM: 31 -0.409873553317E+03 -0.12158E+01 -0.50159E-02 12646 0.286E-01 0.598E+00
RMM: 32 -0.412414534910E+03 -0.25410E+01 -0.11774E+00 17240 0.108E+00 0.655E+00
RMM: 33 -0.414635992824E+03 -0.22215E+01 -0.59621E-01 16810 0.731E-01 0.486E+00
RMM: 34 -0.415542385992E+03 -0.90639E+00 -0.20808E-01 15618 0.483E-01 0.418E+00
RMM: 35 -0.415563657716E+03 -0.21272E-01 -0.16640E-02 11534 0.171E-01 0.363E+00
RMM: 36 -0.415982429518E+03 -0.41877E+00 -0.56214E-02 13849 0.303E-01 0.316E+00
RMM: 37 -0.416272107997E+03 -0.28968E+00 -0.51753E-02 13680 0.271E-01 0.274E+00
RMM: 38 -0.416427795438E+03 -0.15569E+00 -0.30842E-02 12579 0.211E-01 0.248E+00
RMM: 39 -0.416541544705E+03 -0.11375E+00 -0.19603E-02 11798 0.169E-01 0.225E+00
RMM: 40 -0.416722536528E+03 -0.18099E+00 -0.92041E-03 10895 0.114E-01 0.188E+00
RMM: 41 -0.416833653134E+03 -0.11112E+00 -0.68344E-03 10803 0.919E-02 0.162E+00
RMM: 42 -0.416930262644E+03 -0.96610E-01 -0.73461E-03 11300 0.901E-02 0.133E+00
RMM: 43 -0.417069974278E+03 -0.13971E+00 -0.89949E-03 11778 0.983E-02 0.979E-01
RMM: 44 -0.417238519441E+03 -0.16855E+00 -0.90027E-03 11842 0.973E-02 0.773E-01
RMM: 45 -0.417336602213E+03 -0.98083E-01 -0.85520E-03 11839 0.925E-02 0.588E-01
RMM: 46 -0.417381660604E+03 -0.45058E-01 -0.52187E-03 11299 0.720E-02 0.454E-01
RMM: 47 -0.417400845418E+03 -0.19185E-01 -0.70049E-03 11785 0.801E-02 0.399E-01
RMM: 48 -0.417459056216E+03 -0.58211E-01 -0.52641E-03 11435 0.690E-02 0.378E-01
RMM: 49 -0.417559351966E+03 -0.10030E+00 -0.42062E-03 11345 0.609E-02 0.300E-01
RMM: 50 -0.417633677160E+03 -0.74325E-01 -0.46317E-03 11654 0.597E-02 0.259E-01
RMM: 51 -0.417645263619E+03 -0.11586E-01 -0.21346E-03 11227 0.461E-02 0.187E-01
RMM: 52 -0.417674962376E+03 -0.29699E-01 -0.13377E-03 10972 0.353E-02 0.118E-01
RMM: 53 -0.417698936935E+03 -0.23975E-01 -0.71400E-04 10824 0.253E-02 0.107E-01
RMM: 54 -0.417728900738E+03 -0.29964E-01 -0.47148E-04 10909 0.204E-02 0.135E-01
RMM: 55 -0.417762599845E+03 -0.33699E-01 -0.30572E-04 10959 0.156E-02 0.127E-01
RMM: 56 -0.417767221612E+03 -0.46218E-02 -0.11786E-04 10311 0.125E-02 0.826E-02
RMM: 57 -0.417793499067E+03 -0.26277E-01 -0.15638E-04 10492 0.118E-02 0.813E-02
RMM: 58 -0.417810090772E+03 -0.16592E-01 -0.15924E-04 10070 0.111E-02 0.421E-02
RMM: 59 -0.417815419151E+03 -0.53284E-02 -0.13050E-04 10448 0.109E-02 0.359E-02
RMM: 60 -0.417817348495E+03 -0.19293E-02 -0.46844E-05 8359 0.642E-03 0.332E-02
RMM: 61 -0.417818438664E+03 -0.10902E-02 -0.22951E-05 7298 0.522E-03 0.178E-02
RMM: 62 -0.417819240426E+03 -0.80176E-03 -0.18268E-05 7133 0.378E-03 0.124E-02
RMM: 63 -0.417819879435E+03 -0.63901E-03 -0.12976E-05 6883 0.278E-03 0.117E-02
RMM: 64 -0.417820220280E+03 -0.34085E-03 -0.54051E-06 5624 0.187E-03 0.795E-03
RMM: 65 -0.417820352972E+03 -0.13269E-03 -0.17970E-06 4359 0.135E-03 0.664E-03
RMM: 66 -0.417820463209E+03 -0.11024E-03 -0.15607E-06 4064 0.121E-03 0.644E-03
RMM: 67 -0.417820527451E+03 -0.64243E-04 -0.16417E-06 4529 0.127E-03 0.513E-03
RMM: 68 -0.417820570040E+03 -0.42589E-04 -0.28890E-07 2776 0.893E-04 0.294E-03
RMM: 69 -0.417820620163E+03 -0.50123E-04 -0.48931E-07 3294 0.990E-04 0.223E-03
RMM: 70 -0.417820660046E+03 -0.39883E-04 -0.42306E-07 3192 0.952E-04 0.181E-03
RMM: 71 -0.417820667813E+03 -0.77672E-05 -0.17047E-07 2624 0.846E-04
1 F= -.45545786E+03 E0= -.45545837E+03 d E =0.153244E-02 mag= 0.0004