iterations/neb0_image01_iter6_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 0.144726987907E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224173316534E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363092120347E+03 -0.58727E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433523999584E+03 -0.70432E+02 -0.70156E+02 318 0.508E+01
DAV: 5 -0.435096160029E+03 -0.15722E+01 -0.15697E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103173405E+03 0.45993E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628252737E+03 0.34749E+01 -0.13493E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384149879040E+03 0.14784E+01 -0.20789E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383605883094E+03 0.54400E+00 -0.16560E+00 336 0.240E+00 0.138E+00
DAV: 10 -0.383545774733E+03 0.60108E-01 -0.41308E-01 318 0.115E+00 0.102E+00
DAV: 11 -0.383511242217E+03 0.34533E-01 -0.14438E-01 345 0.637E-01 0.877E-01
DAV: 12 -0.383493584046E+03 0.17658E-01 -0.19785E-01 336 0.706E-01 0.895E-01
DAV: 13 -0.383479089348E+03 0.14495E-01 -0.18173E-01 363 0.540E-01 0.744E-01
DAV: 14 -0.383464675107E+03 0.14414E-01 -0.73111E-02 345 0.398E-01 0.399E-01
DAV: 15 -0.383462674712E+03 0.20004E-02 -0.22480E-02 309 0.376E-01 0.359E-01
DAV: 16 -0.383466292840E+03 -0.36181E-02 -0.14546E-02 336 0.256E-01 0.219E-01
DAV: 17 -0.383472988548E+03 -0.66957E-02 -0.27362E-03 282 0.162E-01 0.170E-01
DAV: 18 -0.383482441000E+03 -0.94525E-02 -0.36194E-03 372 0.201E-01 0.150E-01
DAV: 19 -0.383488785118E+03 -0.63441E-02 -0.37968E-03 354 0.167E-01 0.129E-01
DAV: 20 -0.383493496249E+03 -0.47111E-02 -0.10873E-03 291 0.818E-02 0.164E-01
DAV: 21 -0.383494534733E+03 -0.10385E-02 -0.22560E-03 390 0.708E-02 0.141E-01
DAV: 22 -0.383502353231E+03 -0.78185E-02 -0.22130E-03 291 0.792E-02 0.922E-02
DAV: 23 -0.383504823545E+03 -0.24703E-02 -0.26493E-04 327 0.400E-02 0.718E-02
DAV: 24 -0.383507023495E+03 -0.21999E-02 -0.10567E-04 318 0.281E-02 0.317E-02
DAV: 25 -0.383510410567E+03 -0.33871E-02 -0.35915E-04 327 0.384E-02 0.451E-02
DAV: 26 -0.383511740998E+03 -0.13304E-02 -0.78355E-05 318 0.252E-02 0.219E-02
DAV: 27 -0.383512306275E+03 -0.56528E-03 -0.39808E-05 309 0.140E-02 0.121E-02
DAV: 28 -0.383512778823E+03 -0.47255E-03 -0.18194E-05 219 0.106E-02 0.777E-03
DAV: 29 -0.383513181049E+03 -0.40223E-03 -0.21624E-05 273 0.909E-03 0.101E-02
DAV: 30 -0.383513337993E+03 -0.15694E-03 -0.64181E-06 219 0.624E-03 0.440E-03
DAV: 31 -0.383513442323E+03 -0.10433E-03 -0.93204E-06 228 0.630E-03 0.783E-03
DAV: 32 -0.383513470685E+03 -0.28362E-04 -0.24183E-06 228 0.393E-03 0.342E-03
DAV: 33 -0.383513486622E+03 -0.15937E-04 -0.10133E-06 219 0.211E-03 0.260E-03
DAV: 34 -0.383513524358E+03 -0.37736E-04 -0.81563E-07 210 0.201E-03 0.163E-03
DAV: 35 -0.383513545885E+03 -0.21527E-04 -0.10095E-06 210 0.209E-03 0.106E-03
DAV: 36 -0.383513552240E+03 -0.63550E-05 -0.33421E-07 237 0.122E-03
1 F= -.38351355E+03 E0= -.38353022E+03 d E =0.499973E-01