iterations/neb0_image04_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 0.144898457253E+04 0.14490E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.228154523331E+03 -0.12208E+04 -0.11446E+04 426 0.163E+02
DAV: 3 -0.364987943641E+03 -0.59314E+03 -0.58982E+03 354 0.114E+02
DAV: 4 -0.433417186150E+03 -0.68429E+02 -0.68200E+02 300 0.495E+01
DAV: 5 -0.434952864908E+03 -0.15357E+01 -0.15328E+01 336 0.763E+00 0.427E+01
DAV: 6 -0.389011965247E+03 0.45941E+02 -0.14870E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385547654740E+03 0.34643E+01 -0.13191E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384065057353E+03 0.14826E+01 -0.19727E+00 336 0.384E+00 0.428E+00
DAV: 9 -0.383531674997E+03 0.53338E+00 -0.86153E-01 336 0.216E+00 0.110E+00
DAV: 10 -0.383456882785E+03 0.74792E-01 -0.17091E-01 345 0.976E-01 0.986E-01
DAV: 11 -0.383433016981E+03 0.23866E-01 -0.75193E-02 327 0.524E-01 0.710E-01
DAV: 12 -0.383408761801E+03 0.24255E-01 -0.19736E-02 327 0.383E-01 0.540E-01
DAV: 13 -0.383395024804E+03 0.13737E-01 -0.66529E-02 336 0.457E-01 0.566E-01
DAV: 14 -0.383388216541E+03 0.68083E-02 -0.87730E-02 318 0.401E-01 0.495E-01
DAV: 15 -0.383389951200E+03 -0.17347E-02 -0.47786E-02 336 0.315E-01 0.255E-01
DAV: 16 -0.383393977253E+03 -0.40261E-02 -0.49958E-03 300 0.207E-01 0.127E-01
DAV: 17 -0.383404988692E+03 -0.11011E-01 -0.39758E-03 291 0.175E-01 0.930E-02
DAV: 18 -0.383415702828E+03 -0.10714E-01 -0.30698E-03 309 0.170E-01 0.930E-02
DAV: 19 -0.383421830101E+03 -0.61273E-02 -0.12658E-03 336 0.105E-01 0.605E-02
DAV: 20 -0.383427021648E+03 -0.51915E-02 -0.66367E-04 318 0.519E-02 0.776E-02
DAV: 21 -0.383432967938E+03 -0.59463E-02 -0.37617E-04 318 0.406E-02 0.315E-02
DAV: 22 -0.383437625954E+03 -0.46580E-02 -0.29972E-04 300 0.336E-02 0.175E-02
DAV: 23 -0.383439832692E+03 -0.22067E-02 -0.91626E-05 336 0.181E-02 0.125E-02
DAV: 24 -0.383441460302E+03 -0.16276E-02 -0.64954E-05 273 0.156E-02 0.639E-03
DAV: 25 -0.383442401241E+03 -0.94094E-03 -0.41971E-05 291 0.112E-02 0.555E-03
DAV: 26 -0.383442793163E+03 -0.39192E-03 -0.10010E-05 228 0.758E-03 0.325E-03
DAV: 27 -0.383442986002E+03 -0.19284E-03 -0.96008E-06 210 0.680E-03 0.299E-03
DAV: 28 -0.383443055579E+03 -0.69577E-04 -0.30173E-06 228 0.435E-03 0.309E-03
DAV: 29 -0.383443119439E+03 -0.63860E-04 -0.31697E-06 192 0.382E-03 0.140E-03
DAV: 30 -0.383443135851E+03 -0.16412E-04 -0.10925E-06 228 0.229E-03 0.103E-03
DAV: 31 -0.383443157340E+03 -0.21489E-04 -0.10263E-06 210 0.195E-03 0.761E-04
DAV: 32 -0.383443162929E+03 -0.55889E-05 -0.33048E-07 228 0.130E-03
1 F= -.38344316E+03 E0= -.38345983E+03 d E =0.499922E-01