iterations/neb0_image03_iter61_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 0.144702619464E+04 0.14470E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.223759930085E+03 -0.12233E+04 -0.11472E+04 435 0.163E+02
DAV: 3 -0.362589278295E+03 -0.58635E+03 -0.58319E+03 345 0.114E+02
DAV: 4 -0.433226010330E+03 -0.70637E+02 -0.70386E+02 309 0.509E+01
DAV: 5 -0.434821411680E+03 -0.15954E+01 -0.15928E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.388992374826E+03 0.45829E+02 -0.14780E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385535461000E+03 0.34569E+01 -0.13446E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384072108649E+03 0.14634E+01 -0.24291E+00 345 0.389E+00 0.437E+00
DAV: 9 -0.383539891330E+03 0.53222E+00 -0.18712E+00 354 0.242E+00 0.143E+00
DAV: 10 -0.383442381553E+03 0.97510E-01 -0.17931E-01 327 0.115E+00 0.936E-01
DAV: 11 -0.383405886461E+03 0.36495E-01 -0.98030E-02 336 0.789E-01 0.642E-01
DAV: 12 -0.383390457635E+03 0.15429E-01 -0.23799E-02 327 0.501E-01 0.584E-01
DAV: 13 -0.383381976942E+03 0.84807E-02 -0.71156E-02 336 0.347E-01 0.665E-01
DAV: 14 -0.383376706126E+03 0.52708E-02 -0.13979E-01 354 0.381E-01 0.599E-01
DAV: 15 -0.383374969486E+03 0.17366E-02 -0.56696E-02 336 0.371E-01 0.549E-01
DAV: 16 -0.383372640389E+03 0.23291E-02 -0.49975E-03 318 0.292E-01 0.320E-01
DAV: 17 -0.383378947332E+03 -0.63069E-02 -0.50044E-03 291 0.214E-01 0.146E-01
DAV: 18 -0.383391637022E+03 -0.12690E-01 -0.31518E-03 300 0.183E-01 0.709E-02
DAV: 19 -0.383402113267E+03 -0.10476E-01 -0.23579E-03 336 0.138E-01 0.154E-01
DAV: 20 -0.383409379831E+03 -0.72666E-02 -0.81427E-04 318 0.646E-02 0.780E-02
DAV: 21 -0.383415146055E+03 -0.57662E-02 -0.37326E-04 327 0.487E-02 0.276E-02
DAV: 22 -0.383418265026E+03 -0.31190E-02 -0.15315E-04 318 0.295E-02 0.254E-02
DAV: 23 -0.383419935131E+03 -0.16701E-02 -0.69512E-05 309 0.212E-02 0.233E-02
DAV: 24 -0.383422040527E+03 -0.21054E-02 -0.81278E-05 282 0.173E-02 0.117E-02
DAV: 25 -0.383423360565E+03 -0.13200E-02 -0.75046E-05 291 0.155E-02 0.739E-03
DAV: 26 -0.383423814356E+03 -0.45379E-03 -0.13674E-05 228 0.823E-03 0.738E-03
DAV: 27 -0.383423935230E+03 -0.12087E-03 -0.43923E-06 237 0.480E-03 0.401E-03
DAV: 28 -0.383424136564E+03 -0.20133E-03 -0.60273E-06 201 0.467E-03 0.181E-03
DAV: 29 -0.383424233297E+03 -0.96733E-04 -0.38783E-06 228 0.363E-03 0.186E-03
DAV: 30 -0.383424276819E+03 -0.43523E-04 -0.17276E-06 228 0.271E-03 0.151E-03
DAV: 31 -0.383424308200E+03 -0.31381E-04 -0.13854E-06 201 0.235E-03 0.844E-04
DAV: 32 -0.383424314824E+03 -0.66237E-05 -0.50920E-07 228 0.137E-03
1 F= -.38342431E+03 E0= -.38344080E+03 d E =0.494546E-01