./iterations/neb0_image06_iter18_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.162828300516E+04 0.16283E+04 -0.42282E+04 306 0.696E+02
DAV: 2 0.303318866462E+03 -0.13250E+04 -0.12466E+04 420 0.167E+02
DAV: 3 -0.352123062354E+03 -0.65544E+03 -0.64980E+03 356 0.123E+02
DAV: 4 -0.432914042003E+03 -0.80791E+02 -0.80444E+02 308 0.545E+01
DAV: 5 -0.434826241381E+03 -0.19122E+01 -0.19085E+01 332 0.849E+00 0.426E+01
DAV: 6 -0.388990864678E+03 0.45835E+02 -0.14849E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385500927220E+03 0.34899E+01 -0.12502E+01 332 0.779E+00 0.103E+01
DAV: 8 -0.384078775835E+03 0.14222E+01 -0.18891E+00 332 0.376E+00 0.422E+00
DAV: 9 -0.383557422494E+03 0.52135E+00 -0.13226E+00 332 0.219E+00 0.129E+00
DAV: 10 -0.383495764683E+03 0.61658E-01 -0.34942E-01 340 0.102E+00 0.125E+00
DAV: 11 -0.383465361382E+03 0.30403E-01 -0.20416E-01 348 0.568E-01 0.764E-01
DAV: 12 -0.383439566734E+03 0.25795E-01 -0.28496E-02 316 0.459E-01 0.452E-01
DAV: 13 -0.383421970190E+03 0.17597E-01 -0.47678E-02 308 0.568E-01 0.615E-01
DAV: 14 -0.383414420768E+03 0.75494E-02 -0.34339E-02 356 0.397E-01 0.253E-01
DAV: 15 -0.383416756648E+03 -0.23359E-02 -0.14719E-02 300 0.386E-01 0.283E-01
DAV: 16 -0.383422918066E+03 -0.61614E-02 -0.12083E-02 316 0.257E-01 0.154E-01
DAV: 17 -0.383436389377E+03 -0.13471E-01 -0.48367E-03 300 0.273E-01 0.997E-02
DAV: 18 -0.383444049598E+03 -0.76602E-02 -0.45290E-03 332 0.231E-01 0.109E-01
DAV: 19 -0.383443945241E+03 0.10436E-03 -0.13224E-03 324 0.896E-02 0.110E-01
DAV: 20 -0.383443977092E+03 -0.31852E-04 -0.28121E-05 292 0.139E-02 0.105E-01
DAV: 21 -0.383444928324E+03 -0.95123E-03 -0.86181E-04 308 0.816E-02 0.117E-01
DAV: 22 -0.383447338512E+03 -0.24102E-02 -0.23200E-03 332 0.135E-01 0.173E-01
DAV: 23 -0.383451556529E+03 -0.42180E-02 -0.10349E-03 356 0.101E-01 0.230E-01
DAV: 24 -0.383459443035E+03 -0.78865E-02 -0.28418E-03 380 0.175E-01 0.351E-01
DAV: 25 -0.383467676847E+03 -0.82338E-02 -0.58962E-03 388 0.261E-01 0.529E-01
DAV: 26 -0.383468941422E+03 -0.12646E-02 -0.17717E-03 324 0.115E-01 0.594E-01
DAV: 27 -0.383468447434E+03 0.49399E-03 -0.52794E-05 324 0.287E-02 0.584E-01
DAV: 28 -0.383468932000E+03 -0.48457E-03 -0.60367E-05 316 0.341E-02 0.600E-01
DAV: 29 -0.383465999309E+03 0.29327E-02 -0.57554E-03 380 0.309E-01 0.438E-01
DAV: 30 -0.383465864597E+03 0.13471E-03 -0.40040E-03 324 0.152E-01 0.350E-01
DAV: 31 -0.383466093462E+03 -0.22887E-03 -0.55374E-04 364 0.905E-02 0.318E-01
DAV: 32 -0.383465819804E+03 0.27366E-03 -0.16660E-03 404 0.176E-01 0.272E-01
DAV: 33 -0.383465942160E+03 -0.12236E-03 -0.80983E-04 316 0.650E-02 0.242E-01
DAV: 34 -0.383465997765E+03 -0.55605E-04 -0.14201E-05 260 0.893E-03 0.245E-01
DAV: 35 -0.383466120838E+03 -0.12307E-03 -0.14208E-05 244 0.143E-02 0.248E-01
DAV: 36 -0.383466873093E+03 -0.75226E-03 -0.46315E-04 364 0.771E-02 0.270E-01
DAV: 37 -0.383467571182E+03 -0.69809E-03 -0.34201E-04 348 0.642E-02 0.285E-01
DAV: 38 -0.383468777857E+03 -0.12067E-02 -0.38372E-04 380 0.943E-02 0.298E-01
DAV: 39 -0.383469751754E+03 -0.97390E-03 -0.68041E-04 356 0.998E-02 0.307E-01
DAV: 40 -0.383470024841E+03 -0.27309E-03 -0.28990E-04 324 0.518E-02 0.308E-01
DAV: 41 -0.383470175313E+03 -0.15047E-03 -0.27069E-05 276 0.258E-02 0.298E-01
DAV: 42 -0.383470686250E+03 -0.51094E-03 -0.21622E-04 388 0.816E-02 0.292E-01
DAV: 43 -0.383471501669E+03 -0.81542E-03 -0.74325E-04 388 0.117E-01 0.306E-01
DAV: 44 -0.383471643988E+03 -0.14232E-03 -0.45470E-04 324 0.461E-02 0.328E-01
DAV: 45 -0.383471649093E+03 -0.51051E-05 -0.98779E-06 244 0.798E-03
1 F= -.38347165E+03 E0= -.38348485E+03 d E =0.395983E-01