iterations/neb0_image02_iter55_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144783387188E+04 0.14478E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224167054458E+03 -0.12237E+04 -0.11465E+04 435 0.163E+02
DAV: 3 -0.363117157034E+03 -0.58728E+03 -0.58422E+03 345 0.114E+02
DAV: 4 -0.433467644673E+03 -0.70350E+02 -0.70104E+02 309 0.508E+01
DAV: 5 -0.435045434562E+03 -0.15778E+01 -0.15752E+01 327 0.780E+00 0.426E+01
DAV: 6 -0.389037221040E+03 0.46008E+02 -0.14827E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385561665126E+03 0.34756E+01 -0.13629E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384080981666E+03 0.14807E+01 -0.22451E+00 336 0.384E+00 0.437E+00
DAV: 9 -0.383535833968E+03 0.54515E+00 -0.14842E+00 336 0.239E+00 0.145E+00
DAV: 10 -0.383460360078E+03 0.75474E-01 -0.36019E-01 327 0.121E+00 0.110E+00
DAV: 11 -0.383432280736E+03 0.28079E-01 -0.10071E-01 345 0.699E-01 0.111E+00
DAV: 12 -0.383424584188E+03 0.76965E-02 -0.15064E-01 318 0.731E-01 0.119E+00
DAV: 13 -0.383399084970E+03 0.25499E-01 -0.20628E-01 354 0.562E-01 0.830E-01
DAV: 14 -0.383387793041E+03 0.11292E-01 -0.70587E-02 345 0.394E-01 0.663E-01
DAV: 15 -0.383378306406E+03 0.94866E-02 -0.12293E-02 336 0.364E-01 0.321E-01
DAV: 16 -0.383379941828E+03 -0.16354E-02 -0.11269E-02 300 0.325E-01 0.384E-01
DAV: 17 -0.383385138705E+03 -0.51969E-02 -0.55633E-03 318 0.236E-01 0.202E-01
DAV: 18 -0.383394917807E+03 -0.97791E-02 -0.38103E-03 327 0.166E-01 0.111E-01
DAV: 19 -0.383403473512E+03 -0.85557E-02 -0.12510E-03 309 0.105E-01 0.976E-02
DAV: 20 -0.383412864563E+03 -0.93911E-02 -0.93377E-04 327 0.936E-02 0.133E-01
DAV: 21 -0.383420163835E+03 -0.72993E-02 -0.64922E-04 336 0.815E-02 0.605E-02
DAV: 22 -0.383423508789E+03 -0.33450E-02 -0.30432E-04 318 0.413E-02 0.329E-02
DAV: 23 -0.383426077667E+03 -0.25689E-02 -0.10882E-04 327 0.240E-02 0.288E-02
DAV: 24 -0.383429439174E+03 -0.33615E-02 -0.20145E-04 291 0.280E-02 0.194E-02
DAV: 25 -0.383430473055E+03 -0.10339E-02 -0.44283E-05 300 0.142E-02 0.203E-02
DAV: 26 -0.383430956522E+03 -0.48347E-03 -0.16815E-05 237 0.108E-02 0.144E-02
DAV: 27 -0.383431396482E+03 -0.43996E-03 -0.21839E-05 264 0.942E-03 0.459E-03
DAV: 28 -0.383431588750E+03 -0.19227E-03 -0.54561E-06 219 0.618E-03 0.344E-03
DAV: 29 -0.383431704730E+03 -0.11598E-03 -0.33206E-06 219 0.373E-03 0.330E-03
DAV: 30 -0.383431754732E+03 -0.50003E-04 -0.14612E-06 228 0.283E-03 0.309E-03
DAV: 31 -0.383431810469E+03 -0.55737E-04 -0.22682E-06 192 0.356E-03 0.348E-03
DAV: 32 -0.383431821535E+03 -0.11066E-04 -0.80277E-07 219 0.218E-03 0.145E-03
DAV: 33 -0.383431826374E+03 -0.48395E-05 -0.43708E-07 228 0.158E-03
1 F= -.38343183E+03 E0= -.38344786E+03 d E =0.481027E-01