iterations/neb0_image02_iter3_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 0.161786332552E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296666242819E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358060424299E+03 -0.65473E+03 -0.65102E+03 364 0.123E+02
DAV: 4 -0.433481312960E+03 -0.75421E+02 -0.75108E+02 316 0.520E+01
DAV: 5 -0.435191971079E+03 -0.17107E+01 -0.17080E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389122685934E+03 0.46069E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607572014E+03 0.35151E+01 -0.12493E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384166441575E+03 0.14411E+01 -0.26322E+00 332 0.386E+00 0.431E+00
DAV: 9 -0.383582441405E+03 0.58400E+00 -0.63189E-01 324 0.197E+00 0.981E-01
DAV: 10 -0.383525199501E+03 0.57242E-01 -0.14195E-01 348 0.956E-01 0.785E-01
DAV: 11 -0.383512865915E+03 0.12334E-01 -0.86838E-02 324 0.436E-01 0.809E-01
DAV: 12 -0.383498801538E+03 0.14064E-01 -0.15202E-01 308 0.407E-01 0.641E-01
DAV: 13 -0.383488720514E+03 0.10081E-01 -0.14969E-01 332 0.479E-01 0.786E-01
DAV: 14 -0.383480559903E+03 0.81606E-02 -0.61777E-02 356 0.267E-01 0.240E-01
DAV: 15 -0.383482490677E+03 -0.19308E-02 -0.91019E-03 300 0.252E-01 0.211E-01
DAV: 16 -0.383490561568E+03 -0.80709E-02 -0.78661E-03 308 0.218E-01 0.159E-01
DAV: 17 -0.383504514777E+03 -0.13953E-01 -0.57025E-03 300 0.201E-01 0.122E-01
DAV: 18 -0.383514399037E+03 -0.98843E-02 -0.29034E-03 324 0.137E-01 0.103E-01
DAV: 19 -0.383518683047E+03 -0.42840E-02 -0.82468E-04 324 0.652E-02 0.904E-02
DAV: 20 -0.383523453312E+03 -0.47703E-02 -0.57145E-04 316 0.506E-02 0.534E-02
DAV: 21 -0.383529880331E+03 -0.64270E-02 -0.48605E-04 324 0.438E-02 0.255E-02
DAV: 22 -0.383534176865E+03 -0.42965E-02 -0.16866E-04 308 0.268E-02 0.234E-02
DAV: 23 -0.383538248548E+03 -0.40717E-02 -0.28997E-04 308 0.319E-02 0.167E-02
DAV: 24 -0.383539370378E+03 -0.11218E-02 -0.60804E-05 308 0.155E-02 0.100E-02
DAV: 25 -0.383540265340E+03 -0.89496E-03 -0.39428E-05 268 0.133E-02 0.526E-03
DAV: 26 -0.383540582503E+03 -0.31716E-03 -0.90741E-06 228 0.635E-03 0.471E-03
DAV: 27 -0.383540814124E+03 -0.23162E-03 -0.91950E-06 228 0.617E-03 0.215E-03
DAV: 28 -0.383540940463E+03 -0.12634E-03 -0.41289E-06 228 0.374E-03 0.195E-03
DAV: 29 -0.383540985155E+03 -0.44692E-04 -0.15157E-06 228 0.359E-03 0.145E-03
DAV: 30 -0.383541041655E+03 -0.56500E-04 -0.27065E-06 196 0.339E-03 0.179E-03
DAV: 31 -0.383541046769E+03 -0.51136E-05 -0.52975E-07 228 0.192E-03
1 F= -.38354105E+03 E0= -.38355822E+03 d E =0.515236E-01