iterations/neb0_image01_iter45_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 0.144722286826E+04 0.14472E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227843816037E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362848824853E+03 -0.59069E+03 -0.58729E+03 345 0.114E+02
DAV: 4 -0.433508996533E+03 -0.70660E+02 -0.70390E+02 318 0.512E+01
DAV: 5 -0.435094562017E+03 -0.15856E+01 -0.15832E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389096354476E+03 0.45998E+02 -0.14810E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385614900509E+03 0.34815E+01 -0.13215E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384145239429E+03 0.14697E+01 -0.21204E+00 327 0.381E+00 0.427E+00
DAV: 9 -0.383576825147E+03 0.56841E+00 -0.91695E-01 336 0.218E+00 0.114E+00
DAV: 10 -0.383531353666E+03 0.45471E-01 -0.39818E-01 327 0.107E+00 0.100E+00
DAV: 11 -0.383497894039E+03 0.33460E-01 -0.11312E-01 354 0.614E-01 0.636E-01
DAV: 12 -0.383474748169E+03 0.23146E-01 -0.21595E-02 327 0.446E-01 0.488E-01
DAV: 13 -0.383462717524E+03 0.12031E-01 -0.11119E-01 318 0.480E-01 0.752E-01
DAV: 14 -0.383460593132E+03 0.21244E-02 -0.11820E-01 327 0.408E-01 0.807E-01
DAV: 15 -0.383456666532E+03 0.39266E-02 -0.10590E-02 327 0.328E-01 0.418E-01
DAV: 16 -0.383459085645E+03 -0.24191E-02 -0.83069E-03 300 0.300E-01 0.274E-01
DAV: 17 -0.383463202534E+03 -0.41169E-02 -0.32583E-03 327 0.155E-01 0.145E-01
DAV: 18 -0.383473431497E+03 -0.10229E-01 -0.49448E-03 282 0.143E-01 0.242E-01
DAV: 19 -0.383481978132E+03 -0.85466E-02 -0.36235E-03 300 0.134E-01 0.109E-01
DAV: 20 -0.383485986099E+03 -0.40080E-02 -0.79477E-04 336 0.860E-02 0.788E-02
DAV: 21 -0.383493393376E+03 -0.74073E-02 -0.65930E-04 318 0.739E-02 0.387E-02
DAV: 22 -0.383499909435E+03 -0.65161E-02 -0.40072E-04 327 0.567E-02 0.508E-02
DAV: 23 -0.383503516144E+03 -0.36067E-02 -0.17315E-04 327 0.328E-02 0.340E-02
DAV: 24 -0.383506552889E+03 -0.30367E-02 -0.15148E-04 300 0.260E-02 0.150E-02
DAV: 25 -0.383507821609E+03 -0.12687E-02 -0.45667E-05 300 0.160E-02 0.905E-03
DAV: 26 -0.383508754433E+03 -0.93282E-03 -0.39655E-05 282 0.135E-02 0.100E-02
DAV: 27 -0.383509114160E+03 -0.35973E-03 -0.71321E-06 237 0.831E-03 0.120E-02
DAV: 28 -0.383509570154E+03 -0.45599E-03 -0.28947E-05 228 0.109E-02 0.730E-03
DAV: 29 -0.383509656778E+03 -0.86624E-04 -0.37840E-06 228 0.752E-03 0.304E-03
DAV: 30 -0.383509699101E+03 -0.42324E-04 -0.54940E-06 237 0.631E-03 0.323E-03
DAV: 31 -0.383509752457E+03 -0.53356E-04 -0.14928E-06 210 0.331E-03 0.231E-03
DAV: 32 -0.383509797587E+03 -0.45130E-04 -0.20851E-06 201 0.348E-03 0.198E-03
DAV: 33 -0.383509806839E+03 -0.92520E-05 -0.54030E-07 237 0.179E-03
1 F= -.38350981E+03 E0= -.38352645E+03 d E =0.499387E-01