./iterations/neb0_image06_iter28_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162798504609E+04 0.16280E+04 -0.42278E+04 306 0.696E+02
DAV: 2 0.303243210277E+03 -0.13247E+04 -0.12463E+04 420 0.167E+02
DAV: 3 -0.351965939050E+03 -0.65521E+03 -0.64918E+03 356 0.123E+02
DAV: 4 -0.432902674379E+03 -0.80937E+02 -0.80587E+02 308 0.545E+01
DAV: 5 -0.434819427202E+03 -0.19168E+01 -0.19130E+01 332 0.849E+00 0.426E+01
DAV: 6 -0.389032673102E+03 0.45787E+02 -0.14834E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385554981190E+03 0.34777E+01 -0.12582E+01 348 0.780E+00 0.104E+01
DAV: 8 -0.384127812939E+03 0.14272E+01 -0.19571E+00 332 0.375E+00 0.419E+00
DAV: 9 -0.383582278397E+03 0.54553E+00 -0.98870E-01 332 0.213E+00 0.126E+00
DAV: 10 -0.383524815632E+03 0.57463E-01 -0.29177E-01 348 0.999E-01 0.889E-01
DAV: 11 -0.383505604500E+03 0.19211E-01 -0.10685E-01 324 0.544E-01 0.713E-01
DAV: 12 -0.383477494330E+03 0.28110E-01 -0.36627E-02 324 0.478E-01 0.411E-01
DAV: 13 -0.383458854481E+03 0.18640E-01 -0.50457E-02 308 0.590E-01 0.399E-01
DAV: 14 -0.383458243757E+03 0.61072E-03 -0.24003E-02 348 0.366E-01 0.278E-01
DAV: 15 -0.383464911633E+03 -0.66679E-02 -0.41094E-02 300 0.291E-01 0.371E-01
DAV: 16 -0.383468241034E+03 -0.33294E-02 -0.22741E-02 324 0.230E-01 0.249E-01
DAV: 17 -0.383479173431E+03 -0.10932E-01 -0.13138E-02 332 0.253E-01 0.234E-01
DAV: 18 -0.383487905062E+03 -0.87316E-02 -0.51255E-03 292 0.192E-01 0.124E-01
DAV: 19 -0.383494930413E+03 -0.70254E-02 -0.23092E-03 332 0.127E-01 0.106E-01
DAV: 20 -0.383501349957E+03 -0.64195E-02 -0.11401E-03 340 0.774E-02 0.724E-02
DAV: 21 -0.383507444344E+03 -0.60944E-02 -0.47348E-04 316 0.751E-02 0.344E-02
DAV: 22 -0.383509811245E+03 -0.23669E-02 -0.44693E-04 356 0.651E-02 0.478E-02
DAV: 23 -0.383510056502E+03 -0.24526E-03 -0.93938E-05 324 0.267E-02 0.464E-02
DAV: 24 -0.383510113214E+03 -0.56711E-04 -0.43093E-06 228 0.490E-03 0.462E-02
DAV: 25 -0.383509934406E+03 0.17881E-03 -0.19962E-05 220 0.244E-02 0.507E-02
DAV: 26 -0.383509277157E+03 0.65725E-03 -0.33904E-04 356 0.763E-02 0.765E-02
DAV: 27 -0.383509332231E+03 -0.55074E-04 -0.27612E-04 324 0.438E-02 0.760E-02
DAV: 28 -0.383509488378E+03 -0.15615E-03 -0.46125E-05 268 0.450E-02 0.836E-02
DAV: 29 -0.383509527572E+03 -0.39195E-04 -0.44869E-05 284 0.238E-02 0.763E-02
DAV: 30 -0.383509993508E+03 -0.46594E-03 -0.83297E-05 292 0.446E-02 0.905E-02
DAV: 31 -0.383510155536E+03 -0.16203E-03 -0.12751E-04 324 0.433E-02 0.624E-02
DAV: 32 -0.383512428181E+03 -0.22726E-02 -0.17917E-03 292 0.105E-01 0.110E-01
DAV: 33 -0.383512466793E+03 -0.38612E-04 -0.15581E-04 324 0.400E-02 0.106E-01
DAV: 34 -0.383512547066E+03 -0.80273E-04 -0.40936E-05 316 0.147E-02 0.913E-02
DAV: 35 -0.383513204884E+03 -0.65782E-03 -0.37354E-04 380 0.107E-01 0.108E-01
DAV: 36 -0.383515259402E+03 -0.20545E-02 -0.27422E-03 356 0.232E-01 0.156E-01
DAV: 37 -0.383515016255E+03 0.24315E-03 -0.11690E-03 324 0.101E-01 0.179E-01
DAV: 38 -0.383514997219E+03 0.19037E-04 -0.13598E-04 332 0.242E-02 0.166E-01
DAV: 39 -0.383514968515E+03 0.28703E-04 -0.40861E-06 244 0.618E-03 0.162E-01
DAV: 40 -0.383514615922E+03 0.35259E-03 -0.39249E-04 388 0.853E-02 0.120E-01
DAV: 41 -0.383514407365E+03 0.20856E-03 -0.88552E-04 404 0.110E-01 0.845E-02
DAV: 42 -0.383514338301E+03 0.69064E-04 -0.55127E-04 332 0.719E-02 0.508E-02
DAV: 43 -0.383514287407E+03 0.50894E-04 -0.13693E-04 364 0.386E-02 0.397E-02
DAV: 44 -0.383514314769E+03 -0.27362E-04 -0.26704E-05 284 0.156E-02 0.375E-02
DAV: 45 -0.383514313113E+03 0.16560E-05 -0.15629E-06 188 0.352E-03
1 F= -.38351431E+03 E0= -.38352894E+03 d E =0.438930E-01