iterations/neb0_image07_iter23_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 0.145166083362E+04 0.14517E+04 -0.44239E+04 330 0.697E+02
DAV: 2 0.228401037872E+03 -0.12233E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.361313309735E+03 -0.58971E+03 -0.58626E+03 345 0.114E+02
DAV: 4 -0.432937032750E+03 -0.71624E+02 -0.71357E+02 318 0.511E+01
DAV: 5 -0.434555818810E+03 -0.16188E+01 -0.16161E+01 318 0.791E+00 0.426E+01
DAV: 6 -0.388764451533E+03 0.45791E+02 -0.14737E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385306730890E+03 0.34577E+01 -0.13056E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383845189248E+03 0.14615E+01 -0.18366E+00 345 0.380E+00 0.432E+00
DAV: 9 -0.383325657740E+03 0.51953E+00 -0.14698E+00 336 0.225E+00 0.117E+00
DAV: 10 -0.383254507548E+03 0.71150E-01 -0.23251E-01 327 0.103E+00 0.968E-01
DAV: 11 -0.383231510749E+03 0.22997E-01 -0.12585E-01 318 0.583E-01 0.773E-01
DAV: 12 -0.383196320339E+03 0.35190E-01 -0.78380E-02 372 0.611E-01 0.519E-01
DAV: 13 -0.383179641139E+03 0.16679E-01 -0.24702E-02 309 0.459E-01 0.328E-01
DAV: 14 -0.383180739401E+03 -0.10983E-02 -0.56894E-02 327 0.474E-01 0.844E-01
DAV: 15 -0.383173055039E+03 0.76844E-02 -0.61864E-02 327 0.317E-01 0.218E-01
DAV: 16 -0.383182847719E+03 -0.97927E-02 -0.13971E-02 309 0.289E-01 0.291E-01
DAV: 17 -0.383184745326E+03 -0.18976E-02 -0.52682E-03 336 0.169E-01 0.165E-01
DAV: 18 -0.383191468063E+03 -0.67227E-02 -0.23167E-03 291 0.126E-01 0.198E-01
DAV: 19 -0.383201301698E+03 -0.98336E-02 -0.65587E-03 309 0.180E-01 0.137E-01
DAV: 20 -0.383210169615E+03 -0.88679E-02 -0.21010E-03 327 0.134E-01 0.177E-01
DAV: 21 -0.383213412475E+03 -0.32429E-02 -0.75074E-04 345 0.656E-02 0.797E-02
DAV: 22 -0.383216759356E+03 -0.33469E-02 -0.39798E-04 300 0.446E-02 0.296E-02
DAV: 23 -0.383220586445E+03 -0.38271E-02 -0.23746E-04 318 0.317E-02 0.271E-02
DAV: 24 -0.383222500786E+03 -0.19143E-02 -0.11658E-04 309 0.208E-02 0.158E-02
DAV: 25 -0.383224138864E+03 -0.16381E-02 -0.86450E-05 291 0.172E-02 0.122E-02
DAV: 26 -0.383224858353E+03 -0.71949E-03 -0.35925E-05 282 0.111E-02 0.591E-03
DAV: 27 -0.383225165407E+03 -0.30705E-03 -0.12552E-05 237 0.744E-03 0.833E-03
DAV: 28 -0.383225358334E+03 -0.19293E-03 -0.60732E-06 210 0.627E-03 0.540E-03
DAV: 29 -0.383225460717E+03 -0.10238E-03 -0.48523E-06 228 0.533E-03 0.319E-03
DAV: 30 -0.383225535967E+03 -0.75250E-04 -0.28879E-06 201 0.389E-03 0.159E-03
DAV: 31 -0.383225559503E+03 -0.23536E-04 -0.15499E-06 228 0.253E-03 0.234E-03
DAV: 32 -0.383225575356E+03 -0.15853E-04 -0.69192E-07 210 0.168E-03 0.876E-04
DAV: 33 -0.383225586160E+03 -0.10804E-04 -0.49421E-07 219 0.139E-03 0.485E-04
DAV: 34 -0.383225592231E+03 -0.60704E-05 -0.20840E-07 228 0.941E-04
1 F= -.38322559E+03 E0= -.38324252E+03 d E =0.507795E-01