iterations/neb0_image03_iter52_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 0.144923265065E+04 0.14492E+04 -0.44198E+04 330 0.697E+02
DAV: 2 0.224602445408E+03 -0.12246E+04 -0.11486E+04 435 0.163E+02
DAV: 3 -0.362573605185E+03 -0.58718E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433439934620E+03 -0.70866E+02 -0.70638E+02 309 0.509E+01
DAV: 5 -0.435031868720E+03 -0.15919E+01 -0.15893E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389009113481E+03 0.46023E+02 -0.14812E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385543712155E+03 0.34654E+01 -0.13420E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384087696682E+03 0.14560E+01 -0.24250E+00 336 0.386E+00 0.436E+00
DAV: 9 -0.383520081754E+03 0.56761E+00 -0.87734E-01 327 0.229E+00 0.134E+00
DAV: 10 -0.383469520079E+03 0.50562E-01 -0.60683E-01 336 0.119E+00 0.861E-01
DAV: 11 -0.383436711377E+03 0.32809E-01 -0.62760E-02 327 0.532E-01 0.862E-01
DAV: 12 -0.383418878538E+03 0.17833E-01 -0.70363E-02 363 0.363E-01 0.682E-01
DAV: 13 -0.383430982670E+03 -0.12104E-01 -0.41565E-01 372 0.691E-01 0.826E-01
DAV: 14 -0.383402070325E+03 0.28912E-01 -0.22357E-02 327 0.467E-01 0.899E-01
DAV: 15 -0.383390569483E+03 0.11501E-01 -0.58988E-02 372 0.469E-01 0.608E-01
DAV: 16 -0.383386414316E+03 0.41552E-02 -0.12400E-02 318 0.387E-01 0.246E-01
DAV: 17 -0.383391017123E+03 -0.46028E-02 -0.53291E-03 309 0.216E-01 0.149E-01
DAV: 18 -0.383400242147E+03 -0.92250E-02 -0.22603E-03 291 0.144E-01 0.121E-01
DAV: 19 -0.383411791064E+03 -0.11549E-01 -0.28988E-03 300 0.170E-01 0.155E-01
DAV: 20 -0.383420048650E+03 -0.82576E-02 -0.21855E-03 327 0.140E-01 0.957E-02
DAV: 21 -0.383424546227E+03 -0.44976E-02 -0.50645E-04 336 0.609E-02 0.947E-02
DAV: 22 -0.383427576438E+03 -0.30302E-02 -0.46215E-04 336 0.475E-02 0.688E-02
DAV: 23 -0.383430770355E+03 -0.31939E-02 -0.18308E-04 309 0.343E-02 0.248E-02
DAV: 24 -0.383436007478E+03 -0.52371E-02 -0.31618E-04 291 0.326E-02 0.205E-02
DAV: 25 -0.383437517400E+03 -0.15099E-02 -0.64007E-05 318 0.167E-02 0.110E-02
DAV: 26 -0.383439023881E+03 -0.15065E-02 -0.62727E-05 273 0.149E-02 0.204E-02
DAV: 27 -0.383439646963E+03 -0.62308E-03 -0.25763E-05 264 0.111E-02 0.954E-03
DAV: 28 -0.383440163419E+03 -0.51646E-03 -0.22742E-05 237 0.100E-02 0.112E-02
DAV: 29 -0.383440328983E+03 -0.16556E-03 -0.66482E-06 237 0.604E-03 0.376E-03
DAV: 30 -0.383440405761E+03 -0.76778E-04 -0.27482E-06 219 0.398E-03 0.323E-03
DAV: 31 -0.383440480729E+03 -0.74968E-04 -0.22949E-06 201 0.337E-03 0.328E-03
DAV: 32 -0.383440514474E+03 -0.33745E-04 -0.13890E-06 219 0.253E-03 0.222E-03
DAV: 33 -0.383440532955E+03 -0.18481E-04 -0.87966E-07 219 0.205E-03 0.991E-04
DAV: 34 -0.383440543959E+03 -0.11004E-04 -0.45337E-07 210 0.134E-03 0.838E-04
DAV: 35 -0.383440549807E+03 -0.58485E-05 -0.23925E-07 228 0.917E-04
1 F= -.38344055E+03 E0= -.38345695E+03 d E =0.491958E-01