iterations/neb0_image02_iter4_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161785962737E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296682479129E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358050814857E+03 -0.65473E+03 -0.65103E+03 364 0.123E+02
DAV: 4 -0.433481046659E+03 -0.75430E+02 -0.75117E+02 316 0.520E+01
DAV: 5 -0.435191899101E+03 -0.17109E+01 -0.17081E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389123607091E+03 0.46068E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607271600E+03 0.35163E+01 -0.12468E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384164666396E+03 0.14426E+01 -0.25758E+00 332 0.384E+00 0.432E+00
DAV: 9 -0.383601509150E+03 0.56316E+00 -0.85826E-01 324 0.204E+00 0.119E+00
DAV: 10 -0.383542732486E+03 0.58777E-01 -0.38079E-01 340 0.101E+00 0.837E-01
DAV: 11 -0.383512185207E+03 0.30547E-01 -0.36717E-02 308 0.506E-01 0.658E-01
DAV: 12 -0.383514484196E+03 -0.22990E-02 -0.36272E-01 372 0.708E-01 0.108E+00
DAV: 13 -0.383482035016E+03 0.32449E-01 -0.83578E-02 308 0.464E-01 0.488E-01
DAV: 14 -0.383483352859E+03 -0.13178E-02 -0.34232E-02 340 0.264E-01 0.291E-01
DAV: 15 -0.383486782031E+03 -0.34292E-02 -0.21988E-02 316 0.250E-01 0.339E-01
DAV: 16 -0.383495450975E+03 -0.86689E-02 -0.20466E-02 332 0.279E-01 0.285E-01
DAV: 17 -0.383504929688E+03 -0.94787E-02 -0.45479E-03 284 0.213E-01 0.129E-01
DAV: 18 -0.383516604290E+03 -0.11675E-01 -0.81591E-03 332 0.193E-01 0.214E-01
DAV: 19 -0.383517455279E+03 -0.85099E-03 -0.17465E-03 324 0.793E-02 0.177E-01
DAV: 20 -0.383520123986E+03 -0.26687E-02 -0.36897E-04 300 0.372E-02 0.133E-01
DAV: 21 -0.383528822192E+03 -0.86982E-02 -0.14703E-03 300 0.777E-02 0.680E-02
DAV: 22 -0.383532858783E+03 -0.40366E-02 -0.62138E-04 332 0.491E-02 0.415E-02
DAV: 23 -0.383535646563E+03 -0.27878E-02 -0.12198E-04 316 0.290E-02 0.340E-02
DAV: 24 -0.383538919511E+03 -0.32729E-02 -0.19180E-04 292 0.263E-02 0.297E-02
DAV: 25 -0.383540204810E+03 -0.12853E-02 -0.93602E-05 292 0.182E-02 0.210E-02
DAV: 26 -0.383540699825E+03 -0.49501E-03 -0.15479E-05 244 0.106E-02 0.132E-02
DAV: 27 -0.383541546192E+03 -0.84637E-03 -0.49700E-05 292 0.129E-02 0.723E-03
DAV: 28 -0.383541906898E+03 -0.36071E-03 -0.11633E-05 228 0.691E-03 0.469E-03
DAV: 29 -0.383542110208E+03 -0.20331E-03 -0.95850E-06 220 0.508E-03 0.325E-03
DAV: 30 -0.383542194114E+03 -0.83906E-04 -0.33624E-06 228 0.366E-03 0.270E-03
DAV: 31 -0.383542250523E+03 -0.56410E-04 -0.24210E-06 212 0.287E-03 0.147E-03
DAV: 32 -0.383542260123E+03 -0.95993E-05 -0.76101E-07 228 0.193E-03
1 F= -.38354226E+03 E0= -.38355946E+03 d E =0.516018E-01