./iterations/neb0_image01_iter16_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150945434313E+04 0.15095E+04 -0.43515E+04 322 0.697E+02
DAV: 2 0.252934112493E+03 -0.12565E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355184206361E+03 -0.60812E+03 -0.60428E+03 348 0.118E+02
DAV: 4 -0.433270061145E+03 -0.78086E+02 -0.77761E+02 316 0.535E+01
DAV: 5 -0.435110500704E+03 -0.18404E+01 -0.18374E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389198325626E+03 0.45912E+02 -0.14914E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385749370557E+03 0.34490E+01 -0.12639E+01 348 0.776E+00 0.104E+01
DAV: 8 -0.384339254185E+03 0.14101E+01 -0.29027E+00 332 0.383E+00 0.428E+00
DAV: 9 -0.383770516510E+03 0.56874E+00 -0.67013E-01 316 0.199E+00 0.962E-01
DAV: 10 -0.383715738951E+03 0.54778E-01 -0.14400E-01 348 0.923E-01 0.752E-01
DAV: 11 -0.383699268767E+03 0.16470E-01 -0.73566E-02 324 0.437E-01 0.577E-01
DAV: 12 -0.383673447677E+03 0.25821E-01 -0.25834E-02 332 0.432E-01 0.282E-01
DAV: 13 -0.383663516539E+03 0.99311E-02 -0.15453E-02 316 0.405E-01 0.208E-01
DAV: 14 -0.383666219630E+03 -0.27031E-02 -0.15840E-02 324 0.426E-01 0.177E-01
DAV: 15 -0.383674611511E+03 -0.83919E-02 -0.21941E-02 372 0.287E-01 0.499E-01
DAV: 16 -0.383674290261E+03 0.32125E-03 -0.34696E-03 300 0.142E-01 0.173E-01
DAV: 17 -0.383683603938E+03 -0.93137E-02 -0.36302E-03 292 0.140E-01 0.150E-01
DAV: 18 -0.383694546755E+03 -0.10943E-01 -0.27014E-03 308 0.164E-01 0.204E-01
DAV: 19 -0.383699836495E+03 -0.52897E-02 -0.16122E-03 324 0.100E-01 0.121E-01
DAV: 20 -0.383706188994E+03 -0.63525E-02 -0.52875E-04 316 0.719E-02 0.424E-02
DAV: 21 -0.383711747469E+03 -0.55585E-02 -0.55709E-04 340 0.642E-02 0.923E-02
DAV: 22 -0.383714003105E+03 -0.22556E-02 -0.25585E-04 324 0.467E-02 0.806E-02
DAV: 23 -0.383714571588E+03 -0.56848E-03 -0.65782E-05 348 0.246E-02 0.543E-02
DAV: 24 -0.383714732079E+03 -0.16049E-03 -0.12934E-05 268 0.105E-02 0.494E-02
DAV: 25 -0.383714775160E+03 -0.43082E-04 -0.18083E-06 236 0.368E-03 0.500E-02
DAV: 26 -0.383714705090E+03 0.70070E-04 -0.35621E-06 204 0.680E-03 0.431E-02
DAV: 27 -0.383714560886E+03 0.14420E-03 -0.50207E-05 292 0.315E-02 0.502E-02
DAV: 28 -0.383714376180E+03 0.18471E-03 -0.65676E-05 340 0.202E-02 0.465E-02
DAV: 29 -0.383714310268E+03 0.65911E-04 -0.11426E-05 260 0.137E-02 0.488E-02
DAV: 30 -0.383714949907E+03 -0.63964E-03 -0.89739E-05 284 0.525E-02 0.449E-02
DAV: 31 -0.383715261628E+03 -0.31172E-03 -0.40628E-04 364 0.659E-02 0.785E-02
DAV: 32 -0.383715358545E+03 -0.96917E-04 -0.93965E-05 316 0.265E-02 0.697E-02
DAV: 33 -0.383715731794E+03 -0.37325E-03 -0.16631E-04 372 0.491E-02 0.451E-02
DAV: 34 -0.383716654571E+03 -0.92278E-03 -0.16680E-03 380 0.168E-01 0.479E-02
DAV: 35 -0.383716785047E+03 -0.13048E-03 -0.71606E-04 316 0.667E-02 0.734E-02
DAV: 36 -0.383716786045E+03 -0.99793E-06 -0.39211E-05 316 0.142E-02
1 F= -.38371679E+03 E0= -.38373098E+03 d E =0.425691E-01