iterations/neb0_image05_iter48_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 0.144833994539E+04 0.14483E+04 -0.44215E+04 330 0.697E+02
DAV: 2 0.231018970983E+03 -0.12173E+04 -0.11406E+04 417 0.163E+02
DAV: 3 -0.361361529931E+03 -0.59238E+03 -0.58915E+03 345 0.114E+02
DAV: 4 -0.432860203695E+03 -0.71499E+02 -0.71250E+02 309 0.514E+01
DAV: 5 -0.434520483879E+03 -0.16603E+01 -0.16573E+01 336 0.798E+00 0.426E+01
DAV: 6 -0.388548804108E+03 0.45972E+02 -0.14807E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385094388160E+03 0.34544E+01 -0.12818E+01 354 0.775E+00 0.104E+01
DAV: 8 -0.383666840631E+03 0.14275E+01 -0.20362E+00 327 0.380E+00 0.436E+00
DAV: 9 -0.383083554298E+03 0.58329E+00 -0.63888E-01 336 0.199E+00 0.102E+00
DAV: 10 -0.383018976098E+03 0.64578E-01 -0.26707E-01 345 0.115E+00 0.114E+00
DAV: 11 -0.383008740957E+03 0.10235E-01 -0.29137E-01 336 0.611E-01 0.878E-01
DAV: 12 -0.382979524043E+03 0.29217E-01 -0.17631E-01 318 0.525E-01 0.935E-01
DAV: 13 -0.382966330098E+03 0.13194E-01 -0.85185E-02 327 0.301E-01 0.496E-01
DAV: 14 -0.382954320238E+03 0.12010E-01 -0.18670E-02 318 0.398E-01 0.395E-01
DAV: 15 -0.382952920697E+03 0.13995E-02 -0.10650E-02 336 0.273E-01 0.222E-01
DAV: 16 -0.382955620330E+03 -0.26996E-02 -0.26682E-03 300 0.223E-01 0.197E-01
DAV: 17 -0.382965729632E+03 -0.10109E-01 -0.37156E-03 309 0.205E-01 0.114E-01
DAV: 18 -0.382977455861E+03 -0.11726E-01 -0.31929E-03 309 0.183E-01 0.116E-01
DAV: 19 -0.382985828682E+03 -0.83728E-02 -0.24317E-03 318 0.127E-01 0.105E-01
DAV: 20 -0.382990643380E+03 -0.48147E-02 -0.36532E-04 318 0.509E-02 0.761E-02
DAV: 21 -0.382996936710E+03 -0.62933E-02 -0.42919E-04 309 0.462E-02 0.590E-02
DAV: 22 -0.383000494537E+03 -0.35578E-02 -0.28085E-04 345 0.358E-02 0.227E-02
DAV: 23 -0.383002838481E+03 -0.23439E-02 -0.12229E-04 309 0.271E-02 0.260E-02
DAV: 24 -0.383004507736E+03 -0.16693E-02 -0.67525E-05 291 0.165E-02 0.147E-02
DAV: 25 -0.383005326837E+03 -0.81910E-03 -0.32661E-05 282 0.126E-02 0.783E-03
DAV: 26 -0.383005877271E+03 -0.55043E-03 -0.17244E-05 246 0.806E-03 0.474E-03
DAV: 27 -0.383006091508E+03 -0.21424E-03 -0.56707E-06 219 0.544E-03 0.348E-03
DAV: 28 -0.383006301379E+03 -0.20987E-03 -0.66425E-06 219 0.492E-03 0.184E-03
DAV: 29 -0.383006355082E+03 -0.53703E-04 -0.23424E-06 228 0.372E-03 0.182E-03
DAV: 30 -0.383006399436E+03 -0.44354E-04 -0.19902E-06 201 0.333E-03 0.218E-03
DAV: 31 -0.383006423312E+03 -0.23876E-04 -0.10997E-06 219 0.205E-03 0.185E-03
DAV: 32 -0.383006430412E+03 -0.71004E-05 -0.52021E-07 228 0.196E-03
1 F= -.38300643E+03 E0= -.38302321E+03 d E =0.503379E-01