iterations/neb1_max2_image01_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.423482365604E+04 0.42348E+04 -0.25402E+05 9016 0.103E+03
DAV: 2 -0.101613380999E+03 -0.43364E+04 -0.39380E+04 10968 0.248E+02
DAV: 3 -0.424953674714E+03 -0.32334E+03 -0.30225E+03 10280 0.657E+01
DAV: 4 -0.433370894169E+03 -0.84172E+01 -0.83156E+01 10744 0.106E+01
DAV: 5 -0.433666335924E+03 -0.29544E+00 -0.29473E+00 11288 0.193E+00 0.104E+02
RMM: 6 -0.387749578506E+03 0.45917E+02 -0.11204E+02 9701 0.146E+01 0.748E+01
RMM: 7 -0.881037843697E+03 -0.49329E+03 -0.56201E+02 11677 0.212E+01 0.156E+02
RMM: 8 -0.506906291227E+03 0.37413E+03 -0.12614E+02 9969 0.118E+01 0.952E+01
RMM: 9 -0.428536924206E+03 0.78369E+02 -0.71940E+01 10153 0.109E+01 0.625E+01
RMM: 10 -0.382899923390E+03 0.45637E+02 -0.44944E+01 10346 0.867E+00 0.413E+01
RMM: 11 -0.379741471507E+03 0.31585E+01 -0.23209E+01 10324 0.550E+00 0.435E+01
RMM: 12 -0.374499141010E+03 0.52423E+01 -0.70942E+00 10066 0.358E+00 0.318E+01
RMM: 13 -0.370598036170E+03 0.39011E+01 -0.42383E+00 10161 0.281E+00 0.211E+01
RMM: 14 -0.370899846477E+03 -0.30181E+00 -0.16027E+00 10169 0.167E+00 0.137E+01
RMM: 15 -0.375388515446E+03 -0.44887E+01 -0.11214E+00 10310 0.137E+00 0.121E+01
RMM: 16 -0.379738848561E+03 -0.43503E+01 -0.12528E+00 10485 0.148E+00 0.109E+01
RMM: 17 -0.385960690297E+03 -0.62218E+01 -0.23299E+00 11415 0.182E+00 0.887E+00
RMM: 18 -0.389035552930E+03 -0.30749E+01 -0.10763E+00 10707 0.123E+00 0.660E+00
RMM: 19 -0.392088705084E+03 -0.30532E+01 -0.71402E-01 10772 0.999E-01 0.885E+00
RMM: 20 -0.394861917284E+03 -0.27732E+01 -0.75654E-01 11222 0.948E-01 0.992E+00
RMM: 21 -0.397357111709E+03 -0.24952E+01 -0.81529E-01 11579 0.921E-01 0.901E+00
RMM: 22 -0.400764034999E+03 -0.34069E+01 -0.14983E+00 12358 0.117E+00 0.674E+00
RMM: 23 -0.403439691088E+03 -0.26757E+01 -0.58913E-01 11610 0.746E-01 0.568E+00
RMM: 24 -0.404046142756E+03 -0.60645E+00 -0.57194E-02 10413 0.253E-01 0.532E+00
RMM: 25 -0.405487901736E+03 -0.14418E+01 -0.22385E-01 11813 0.436E-01 0.512E+00
RMM: 26 -0.407996888252E+03 -0.25090E+01 -0.69323E-01 13539 0.756E-01 0.506E+00
RMM: 27 -0.408880891494E+03 -0.88400E+00 -0.11583E-01 11428 0.334E-01 0.502E+00
RMM: 28 -0.408191121256E+03 0.68977E+00 -0.58902E-02 10671 0.269E-01 0.494E+00
RMM: 29 -0.407650428011E+03 0.54069E+00 -0.65014E-02 11209 0.287E-01 0.481E+00
RMM: 30 -0.407153314383E+03 0.49711E+00 -0.88573E-02 11885 0.375E-01 0.467E+00
RMM: 31 -0.406984824862E+03 0.16849E+00 -0.13744E-01 12717 0.468E-01 0.524E+00
RMM: 32 -0.407605627141E+03 -0.62080E+00 -0.19626E-02 10213 0.199E-01 0.488E+00
RMM: 33 -0.409871523276E+03 -0.22659E+01 -0.12586E+00 16123 0.116E+00 0.620E+00
RMM: 34 -0.410447811346E+03 -0.57629E+00 -0.51716E-01 15566 0.795E-01 0.536E+00
RMM: 35 -0.410972938782E+03 -0.52513E+00 -0.10513E-01 12938 0.353E-01 0.486E+00
RMM: 36 -0.411265380770E+03 -0.29244E+00 -0.25991E-02 10993 0.206E-01 0.418E+00
RMM: 37 -0.412135766574E+03 -0.87039E+00 -0.99117E-02 12808 0.395E-01 0.317E+00
RMM: 38 -0.412706717685E+03 -0.57095E+00 -0.73960E-02 12408 0.319E-01 0.209E+00
RMM: 39 -0.413256633797E+03 -0.54992E+00 -0.32969E-02 11200 0.220E-01 0.213E+00
RMM: 40 -0.413516709907E+03 -0.26008E+00 -0.19031E-02 10765 0.163E-01 0.218E+00
RMM: 41 -0.413578191007E+03 -0.61481E-01 -0.12236E-02 10678 0.121E-01 0.195E+00
RMM: 42 -0.413678645052E+03 -0.10045E+00 -0.91492E-03 10772 0.102E-01 0.143E+00
RMM: 43 -0.413842059274E+03 -0.16341E+00 -0.70541E-03 10801 0.926E-02 0.103E+00
RMM: 44 -0.414011983168E+03 -0.16992E+00 -0.12973E-02 11788 0.122E-01 0.770E-01
RMM: 45 -0.414147600147E+03 -0.13562E+00 -0.15673E-02 12092 0.132E-01 0.798E-01
RMM: 46 -0.414255839775E+03 -0.10824E+00 -0.11446E-02 11690 0.108E-01 0.779E-01
RMM: 47 -0.414335146082E+03 -0.79306E-01 -0.16895E-02 12199 0.120E-01 0.656E-01
RMM: 48 -0.414402945491E+03 -0.67799E-01 -0.55405E-03 11077 0.730E-02 0.632E-01
RMM: 49 -0.414480516112E+03 -0.77571E-01 -0.32594E-03 10815 0.552E-02 0.557E-01
RMM: 50 -0.414541256432E+03 -0.60740E-01 -0.40490E-03 11256 0.627E-02 0.360E-01
RMM: 51 -0.414571540993E+03 -0.30285E-01 -0.85611E-03 12531 0.930E-02 0.386E-01
RMM: 52 -0.414633200547E+03 -0.61660E-01 -0.33432E-03 11383 0.589E-02 0.192E-01
RMM: 53 -0.414656071945E+03 -0.22871E-01 -0.13961E-03 10856 0.361E-02 0.129E-01
RMM: 54 -0.414686601376E+03 -0.30529E-01 -0.77081E-04 10719 0.274E-02 0.102E-01
RMM: 55 -0.414723909305E+03 -0.37308E-01 -0.66854E-04 11075 0.227E-02 0.101E-01
RMM: 56 -0.414749510239E+03 -0.25601E-01 -0.28710E-04 10834 0.176E-02 0.930E-02
RMM: 57 -0.414782226369E+03 -0.32716E-01 -0.21057E-04 10772 0.151E-02 0.621E-02
RMM: 58 -0.414795978066E+03 -0.13752E-01 -0.11617E-04 9736 0.104E-02 0.406E-02
RMM: 59 -0.414802128287E+03 -0.61502E-02 -0.96951E-05 9516 0.903E-03 0.276E-02
RMM: 60 -0.414804895213E+03 -0.27669E-02 -0.48822E-05 8469 0.674E-03 0.215E-02
RMM: 61 -0.414806003724E+03 -0.11085E-02 -0.18559E-05 7161 0.412E-03 0.157E-02
RMM: 62 -0.414806883931E+03 -0.88021E-03 -0.10477E-05 6675 0.301E-03 0.139E-02
RMM: 63 -0.414807483588E+03 -0.59966E-03 -0.10445E-05 6634 0.253E-03 0.134E-02
RMM: 64 -0.414807674950E+03 -0.19136E-03 -0.53345E-06 6312 0.195E-03 0.823E-03
RMM: 65 -0.414807735435E+03 -0.60485E-04 -0.16046E-06 4250 0.124E-03 0.451E-03
RMM: 66 -0.414807751906E+03 -0.16471E-04 -0.12617E-06 4255 0.119E-03 0.316E-03
RMM: 67 -0.414807807757E+03 -0.55851E-04 -0.91923E-07 4072 0.111E-03 0.371E-03
RMM: 68 -0.414807863104E+03 -0.55347E-04 -0.15073E-06 5167 0.132E-03 0.124E-02
RMM: 69 -0.414807869833E+03 -0.67280E-05 -0.22334E-07 3087 0.907E-04
1 F= -.45251628E+03 E0= -.45251605E+03 d E =-.686451E-03 mag= -0.0026