iterations/neb0_image08_iter6_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209923106150E+04 0.20992E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.139349183115E+03 -0.22386E+04 -0.21499E+04 2144 0.262E+02
DAV: 3 -0.465385652032E+03 -0.32604E+03 -0.32247E+03 1880 0.108E+02
DAV: 4 -0.477866250399E+03 -0.12481E+02 -0.12434E+02 1928 0.225E+01
DAV: 5 -0.478349340344E+03 -0.48309E+00 -0.48283E+00 2136 0.383E+00 0.430E+01
DAV: 6 -0.447491364129E+03 0.30858E+02 -0.14470E+02 2016 0.315E+01 0.271E+01
DAV: 7 -0.446660342596E+03 0.83102E+00 -0.24707E+01 1904 0.116E+01 0.134E+01
DAV: 8 -0.447004399252E+03 -0.34406E+00 -0.71289E+00 2440 0.839E+00 0.982E+00
DAV: 9 -0.445057082005E+03 0.19473E+01 -0.22100E+00 2112 0.468E+00 0.353E+00
DAV: 10 -0.445289075913E+03 -0.23199E+00 -0.31270E+00 1872 0.308E+00 0.633E+00
DAV: 11 -0.445169990782E+03 0.11909E+00 -0.52190E+00 2304 0.236E+00 0.401E+00
DAV: 12 -0.445113369426E+03 0.56621E-01 -0.24708E+00 2080 0.144E+00 0.330E+00
DAV: 13 -0.445052939113E+03 0.60430E-01 -0.53179E-01 2032 0.884E-01 0.748E-01
DAV: 14 -0.445080356176E+03 -0.27417E-01 -0.55608E-02 1936 0.486E-01 0.159E+00
DAV: 15 -0.445061425592E+03 0.18931E-01 -0.52968E-02 2128 0.395E-01 0.247E-01
DAV: 16 -0.445066815250E+03 -0.53897E-02 -0.10924E-02 1872 0.182E-01 0.218E-01
DAV: 17 -0.445067873283E+03 -0.10580E-02 -0.30263E-03 2216 0.840E-02 0.943E-02
DAV: 18 -0.445069887245E+03 -0.20140E-02 -0.78261E-04 2064 0.691E-02 0.539E-02
DAV: 19 -0.445072173276E+03 -0.22860E-02 -0.74130E-04 1864 0.563E-02 0.628E-02
DAV: 20 -0.445073810776E+03 -0.16375E-02 -0.43081E-04 2048 0.581E-02 0.532E-02
DAV: 21 -0.445075054354E+03 -0.12436E-02 -0.38758E-04 1824 0.417E-02 0.222E-02
DAV: 22 -0.445075407532E+03 -0.35318E-03 -0.71940E-05 1768 0.215E-02 0.174E-02
DAV: 23 -0.445075782286E+03 -0.37475E-03 -0.88207E-05 1768 0.204E-02 0.241E-02
DAV: 24 -0.445075884792E+03 -0.10251E-03 -0.14197E-05 1192 0.979E-03 0.270E-02
DAV: 25 -0.445075986951E+03 -0.10216E-03 -0.52347E-05 1336 0.129E-02 0.174E-02
DAV: 26 -0.445076011435E+03 -0.24485E-04 -0.11908E-05 944 0.794E-03 0.682E-03
DAV: 27 -0.445076033264E+03 -0.21829E-04 -0.39952E-06 968 0.384E-03 0.145E-02
DAV: 28 -0.445076058092E+03 -0.24827E-04 -0.39015E-06 1008 0.380E-03 0.373E-03
DAV: 29 -0.445076075471E+03 -0.17379E-04 -0.39810E-06 968 0.429E-03 0.617E-03
DAV: 30 -0.445076078949E+03 -0.34781E-05 -0.13453E-06 936 0.259E-03
1 F= -.44507608E+03 E0= -.44505598E+03 d E =-.602922E-01