iterations/neb1_max1_image01_iter12_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421537960998E+04 0.42154E+04 -0.25381E+05 9008 0.103E+03
DAV: 2 -0.105760232111E+03 -0.43211E+04 -0.39230E+04 11000 0.248E+02
DAV: 3 -0.427166751289E+03 -0.32141E+03 -0.30051E+03 10256 0.655E+01
DAV: 4 -0.435685757710E+03 -0.85190E+01 -0.84181E+01 10832 0.107E+01
DAV: 5 -0.435972218530E+03 -0.28646E+00 -0.28578E+00 11144 0.191E+00 0.997E+01
RMM: 6 -0.387525583145E+03 0.48447E+02 -0.10888E+02 9709 0.144E+01 0.725E+01
RMM: 7 -0.752524366130E+03 -0.36500E+03 -0.38941E+02 11169 0.184E+01 0.139E+02
RMM: 8 -0.501477874762E+03 0.25105E+03 -0.11747E+02 10109 0.114E+01 0.898E+01
RMM: 9 -0.394519945478E+03 0.10696E+03 -0.70559E+01 10211 0.108E+01 0.489E+01
RMM: 10 -0.396230576672E+03 -0.17106E+01 -0.44959E+01 10208 0.860E+00 0.494E+01
RMM: 11 -0.383399736221E+03 0.12831E+02 -0.21349E+01 10161 0.587E+00 0.426E+01
RMM: 12 -0.374022375213E+03 0.93774E+01 -0.76114E+00 9986 0.373E+00 0.259E+01
RMM: 13 -0.373816741374E+03 0.20563E+00 -0.28737E+00 10084 0.222E+00 0.200E+01
RMM: 14 -0.374718418643E+03 -0.90168E+00 -0.11614E+00 10119 0.146E+00 0.132E+01
RMM: 15 -0.379189103693E+03 -0.44707E+01 -0.11528E+00 10450 0.141E+00 0.138E+01
RMM: 16 -0.385522027772E+03 -0.63329E+01 -0.16247E+00 10947 0.162E+00 0.177E+01
RMM: 17 -0.386644768739E+03 -0.11227E+01 -0.92664E-01 10539 0.123E+00 0.121E+01
RMM: 18 -0.390319881188E+03 -0.36751E+01 -0.10008E+00 10921 0.120E+00 0.809E+00
RMM: 19 -0.394491976025E+03 -0.41721E+01 -0.11400E+00 11262 0.126E+00 0.602E+00
RMM: 20 -0.398260087916E+03 -0.37681E+01 -0.12817E+00 11567 0.129E+00 0.651E+00
RMM: 21 -0.400433561243E+03 -0.21735E+01 -0.68101E-01 11059 0.904E-01 0.645E+00
RMM: 22 -0.402793722893E+03 -0.23602E+01 -0.63949E-01 11356 0.809E-01 0.679E+00
RMM: 23 -0.406819085560E+03 -0.40254E+01 -0.18320E+00 12610 0.122E+00 0.775E+00
RMM: 24 -0.409375430262E+03 -0.25563E+01 -0.12780E+00 12428 0.102E+00 0.775E+00
RMM: 25 -0.410963505752E+03 -0.15881E+01 -0.52698E-01 11534 0.656E-01 0.676E+00
RMM: 26 -0.411367578416E+03 -0.40407E+00 -0.29410E-02 10814 0.175E-01 0.667E+00
RMM: 27 -0.411465911024E+03 -0.98333E-01 -0.76989E-03 10836 0.833E-02 0.666E+00
RMM: 28 -0.411888854444E+03 -0.42294E+00 -0.32170E-02 11689 0.174E-01 0.657E+00
RMM: 29 -0.411811320093E+03 0.77534E-01 -0.42059E-03 10229 0.776E-02 0.654E+00
RMM: 30 -0.411610720065E+03 0.20060E+00 -0.19350E-02 11879 0.165E-01 0.645E+00
RMM: 31 -0.411306823062E+03 0.30390E+00 -0.80085E-02 14839 0.342E-01 0.625E+00
RMM: 32 -0.410974686221E+03 0.33214E+00 -0.85145E-02 15073 0.349E-01 0.618E+00
RMM: 33 -0.410733136971E+03 0.24155E+00 -0.35618E-02 13633 0.229E-01 0.670E+00
RMM: 34 -0.412305343950E+03 -0.15722E+01 -0.20451E-01 15894 0.534E-01 0.596E+00
RMM: 35 -0.414079239910E+03 -0.17739E+01 -0.66758E-01 17585 0.877E-01 0.482E+00
RMM: 36 -0.415287192381E+03 -0.12080E+01 -0.32017E-01 16580 0.634E-01 0.481E+00
RMM: 37 -0.415160505636E+03 0.12669E+00 -0.79380E-03 11150 0.123E-01 0.450E+00
RMM: 38 -0.415437685521E+03 -0.27718E+00 -0.40359E-02 13783 0.269E-01 0.346E+00
RMM: 39 -0.416175222764E+03 -0.73754E+00 -0.13790E-01 15616 0.441E-01 0.248E+00
RMM: 40 -0.416231704121E+03 -0.56481E-01 -0.54573E-02 14473 0.285E-01 0.214E+00
RMM: 41 -0.416429027788E+03 -0.19732E+00 -0.16171E-02 12154 0.159E-01 0.182E+00
RMM: 42 -0.416646952270E+03 -0.21792E+00 -0.62777E-03 10834 0.996E-02 0.166E+00
RMM: 43 -0.416862816833E+03 -0.21586E+00 -0.76360E-03 11116 0.113E-01 0.136E+00
RMM: 44 -0.416987780384E+03 -0.12496E+00 -0.73422E-03 11256 0.102E-01 0.156E+00
RMM: 45 -0.416983132234E+03 0.46482E-02 -0.69767E-03 11408 0.935E-02 0.143E+00
RMM: 46 -0.417090198343E+03 -0.10707E+00 -0.12513E-02 12258 0.116E-01 0.115E+00
RMM: 47 -0.417244037510E+03 -0.15384E+00 -0.23791E-02 13226 0.151E-01 0.714E-01
RMM: 48 -0.417339833395E+03 -0.95796E-01 -0.40261E-03 11167 0.665E-02 0.566E-01
RMM: 49 -0.417409660871E+03 -0.69827E-01 -0.29242E-03 10922 0.559E-02 0.436E-01
RMM: 50 -0.417448390132E+03 -0.38729E-01 -0.48031E-03 11792 0.637E-02 0.440E-01
RMM: 51 -0.417522476343E+03 -0.74086E-01 -0.36924E-03 11043 0.716E-02 0.265E-01
RMM: 52 -0.417567377041E+03 -0.44901E-01 -0.27945E-03 11074 0.506E-02 0.247E-01
RMM: 53 -0.417617081266E+03 -0.49704E-01 -0.18948E-03 11035 0.392E-02 0.197E-01
RMM: 54 -0.417653769994E+03 -0.36689E-01 -0.11434E-03 10991 0.321E-02 0.161E-01
RMM: 55 -0.417681311402E+03 -0.27541E-01 -0.51246E-04 10763 0.206E-02 0.128E-01
RMM: 56 -0.417719168040E+03 -0.37857E-01 -0.63709E-04 11326 0.237E-02 0.175E-01
RMM: 57 -0.417755563399E+03 -0.36395E-01 -0.33991E-04 10982 0.174E-02 0.776E-02
RMM: 58 -0.417784179531E+03 -0.28616E-01 -0.19049E-04 10435 0.129E-02 0.545E-02
RMM: 59 -0.417796437659E+03 -0.12258E-01 -0.11544E-04 10060 0.105E-02 0.396E-02
RMM: 60 -0.417804086211E+03 -0.76486E-02 -0.10502E-04 9916 0.987E-03 0.407E-02
RMM: 61 -0.417809444290E+03 -0.53581E-02 -0.72993E-05 8849 0.777E-03 0.336E-02
RMM: 62 -0.417811442053E+03 -0.19978E-02 -0.39787E-05 8036 0.600E-03 0.225E-02
RMM: 63 -0.417812416814E+03 -0.97476E-03 -0.23499E-05 7402 0.427E-03 0.150E-02
RMM: 64 -0.417813248285E+03 -0.83147E-03 -0.19381E-05 7201 0.360E-03 0.206E-02
RMM: 65 -0.417813715065E+03 -0.46678E-03 -0.78626E-06 6379 0.237E-03 0.877E-03
RMM: 66 -0.417813899063E+03 -0.18400E-03 -0.31182E-06 6171 0.181E-03 0.581E-03
RMM: 67 -0.417814055530E+03 -0.15647E-03 -0.17615E-06 4273 0.130E-03 0.459E-03
RMM: 68 -0.417814169086E+03 -0.11356E-03 -0.13830E-06 3862 0.115E-03 0.411E-03
RMM: 69 -0.417814230306E+03 -0.61220E-04 -0.17389E-06 4207 0.117E-03 0.246E-03
RMM: 70 -0.417814272672E+03 -0.42366E-04 -0.74454E-07 3427 0.102E-03 0.203E-03
RMM: 71 -0.417814292505E+03 -0.19833E-04 -0.40882E-07 3009 0.921E-04 0.127E-03
RMM: 72 -0.417814308047E+03 -0.15543E-04 -0.57571E-07 3347 0.960E-04 0.134E-03
RMM: 73 -0.417814314721E+03 -0.66732E-05 -0.39316E-07 3080 0.907E-04
1 F= -.45545170E+03 E0= -.45545215E+03 d E =0.136389E-02 mag= 0.0021