iterations/neb0_image02_iter57_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 0.144772783248E+04 0.14477E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224073101919E+03 -0.12237E+04 -0.11467E+04 435 0.163E+02
DAV: 3 -0.363085518153E+03 -0.58716E+03 -0.58405E+03 345 0.114E+02
DAV: 4 -0.433468477524E+03 -0.70383E+02 -0.70141E+02 309 0.508E+01
DAV: 5 -0.435046438711E+03 -0.15780E+01 -0.15753E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389089092712E+03 0.45957E+02 -0.14814E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385614488800E+03 0.34746E+01 -0.13557E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384128564815E+03 0.14859E+01 -0.20835E+00 336 0.383E+00 0.430E+00
DAV: 9 -0.383567862802E+03 0.56070E+00 -0.68760E-01 336 0.217E+00 0.123E+00
DAV: 10 -0.383515918132E+03 0.51945E-01 -0.43745E-01 336 0.102E+00 0.117E+00
DAV: 11 -0.383491874573E+03 0.24044E-01 -0.14312E-01 327 0.671E-01 0.103E+00
DAV: 12 -0.383466049125E+03 0.25825E-01 -0.43519E-02 327 0.462E-01 0.656E-01
DAV: 13 -0.383454757669E+03 0.11291E-01 -0.13331E-02 354 0.361E-01 0.525E-01
DAV: 14 -0.383439979520E+03 0.14778E-01 -0.19628E-02 309 0.401E-01 0.412E-01
DAV: 15 -0.383439592846E+03 0.38667E-03 -0.96849E-03 363 0.328E-01 0.181E-01
DAV: 16 -0.383445915846E+03 -0.63230E-02 -0.42404E-03 300 0.221E-01 0.152E-01
DAV: 17 -0.383456674071E+03 -0.10758E-01 -0.25410E-03 291 0.175E-01 0.942E-02
DAV: 18 -0.383468523414E+03 -0.11849E-01 -0.33973E-03 309 0.173E-01 0.100E-01
DAV: 19 -0.383476853038E+03 -0.83296E-02 -0.13627E-03 327 0.107E-01 0.660E-02
DAV: 20 -0.383480903024E+03 -0.40500E-02 -0.19264E-04 318 0.382E-02 0.357E-02
DAV: 21 -0.383488999138E+03 -0.80961E-02 -0.60821E-04 291 0.490E-02 0.214E-02
DAV: 22 -0.383491493172E+03 -0.24940E-02 -0.10629E-04 318 0.207E-02 0.184E-02
DAV: 23 -0.383493702665E+03 -0.22095E-02 -0.13060E-04 291 0.248E-02 0.120E-02
DAV: 24 -0.383494394330E+03 -0.69167E-03 -0.23445E-05 264 0.111E-02 0.932E-03
DAV: 25 -0.383494880902E+03 -0.48657E-03 -0.13485E-05 210 0.107E-02 0.606E-03
DAV: 26 -0.383495386178E+03 -0.50528E-03 -0.34801E-05 264 0.138E-02 0.622E-03
DAV: 27 -0.383495469599E+03 -0.83421E-04 -0.28790E-06 237 0.615E-03 0.396E-03
DAV: 28 -0.383495572603E+03 -0.10300E-03 -0.82321E-06 201 0.801E-03 0.325E-03
DAV: 29 -0.383495649343E+03 -0.76740E-04 -0.17986E-06 219 0.402E-03 0.215E-03
DAV: 30 -0.383495691237E+03 -0.41895E-04 -0.20351E-06 219 0.391E-03 0.756E-04
DAV: 31 -0.383495721822E+03 -0.30585E-04 -0.10547E-06 192 0.216E-03 0.951E-04
DAV: 32 -0.383495730042E+03 -0.82200E-05 -0.42870E-07 228 0.147E-03
1 F= -.38349573E+03 E0= -.38351205E+03 d E =0.489649E-01