iterations/neb0_image07_iter74_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 0.145975817078E+04 0.14598E+04 -0.44305E+04 330 0.697E+02
DAV: 2 0.233782357415E+03 -0.12260E+04 -0.11500E+04 417 0.163E+02
DAV: 3 -0.364046200223E+03 -0.59783E+03 -0.59438E+03 354 0.115E+02
DAV: 4 -0.433487879885E+03 -0.69442E+02 -0.69181E+02 309 0.499E+01
DAV: 5 -0.435035600795E+03 -0.15477E+01 -0.15452E+01 345 0.769E+00 0.433E+01
DAV: 6 -0.387729901424E+03 0.47306E+02 -0.15234E+02 309 0.290E+01 0.213E+01
DAV: 7 -0.384108147355E+03 0.36218E+01 -0.13536E+01 345 0.800E+00 0.106E+01
DAV: 8 -0.382635546114E+03 0.14726E+01 -0.23314E+00 336 0.395E+00 0.444E+00
DAV: 9 -0.382043773980E+03 0.59177E+00 -0.10836E+00 336 0.234E+00 0.108E+00
DAV: 10 -0.381979705511E+03 0.64068E-01 -0.14395E-01 318 0.101E+00 0.845E-01
DAV: 11 -0.381955865483E+03 0.23840E-01 -0.15040E-01 354 0.573E-01 0.916E-01
DAV: 12 -0.381935047072E+03 0.20818E-01 -0.19020E-01 354 0.507E-01 0.621E-01
DAV: 13 -0.381921724408E+03 0.13323E-01 -0.89582E-02 363 0.465E-01 0.513E-01
DAV: 14 -0.381912193525E+03 0.95309E-02 -0.14111E-02 345 0.374E-01 0.349E-01
DAV: 15 -0.381911259474E+03 0.93405E-03 -0.17067E-02 309 0.363E-01 0.145E-01
DAV: 16 -0.381918736881E+03 -0.74774E-02 -0.66217E-03 300 0.256E-01 0.138E-01
DAV: 17 -0.381932025384E+03 -0.13289E-01 -0.29234E-03 336 0.175E-01 0.136E-01
DAV: 18 -0.381941473605E+03 -0.94482E-02 -0.16339E-03 327 0.133E-01 0.470E-02
DAV: 19 -0.381947550656E+03 -0.60771E-02 -0.73047E-04 318 0.727E-02 0.414E-02
DAV: 20 -0.381952633696E+03 -0.50830E-02 -0.21284E-04 300 0.308E-02 0.256E-02
DAV: 21 -0.381958071882E+03 -0.54382E-02 -0.31400E-04 300 0.335E-02 0.162E-02
DAV: 22 -0.381960791692E+03 -0.27198E-02 -0.14297E-04 309 0.230E-02 0.184E-02
DAV: 23 -0.381962056596E+03 -0.12649E-02 -0.58362E-05 300 0.160E-02 0.787E-03
DAV: 24 -0.381962902034E+03 -0.84544E-03 -0.38153E-05 273 0.112E-02 0.600E-03
DAV: 25 -0.381963199487E+03 -0.29745E-03 -0.84987E-06 228 0.664E-03 0.307E-03
DAV: 26 -0.381963416856E+03 -0.21737E-03 -0.10427E-05 219 0.710E-03 0.366E-03
DAV: 27 -0.381963462309E+03 -0.45453E-04 -0.21301E-06 237 0.390E-03 0.190E-03
DAV: 28 -0.381963509156E+03 -0.46847E-04 -0.21015E-06 192 0.363E-03 0.186E-03
DAV: 29 -0.381963538691E+03 -0.29534E-04 -0.97481E-07 219 0.239E-03 0.112E-03
DAV: 30 -0.381963556402E+03 -0.17711E-04 -0.85306E-07 210 0.209E-03 0.829E-04
DAV: 31 -0.381963563444E+03 -0.70424E-05 -0.26334E-07 228 0.123E-03
1 F= -.38196356E+03 E0= -.38197671E+03 d E =0.394488E-01