./iterations/neb0_image08_iter10_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 0.163421115904E+04 0.16342E+04 -0.42290E+04 306 0.696E+02
DAV: 2 0.307032987244E+03 -0.13272E+04 -0.12470E+04 420 0.167E+02
DAV: 3 -0.354614476675E+03 -0.66165E+03 -0.65728E+03 356 0.124E+02
DAV: 4 -0.432995153820E+03 -0.78381E+02 -0.78086E+02 308 0.546E+01
DAV: 5 -0.434778025396E+03 -0.17829E+01 -0.17796E+01 332 0.842E+00 0.428E+01
DAV: 6 -0.388453078641E+03 0.46325E+02 -0.14878E+02 308 0.287E+01 0.209E+01
DAV: 7 -0.384874792580E+03 0.35783E+01 -0.12734E+01 348 0.795E+00 0.104E+01
DAV: 8 -0.383454098505E+03 0.14207E+01 -0.24893E+00 332 0.392E+00 0.423E+00
DAV: 9 -0.382879593034E+03 0.57451E+00 -0.64944E-01 332 0.204E+00 0.929E-01
DAV: 10 -0.382831299695E+03 0.48293E-01 -0.15229E-01 348 0.934E-01 0.857E-01
DAV: 11 -0.382817488291E+03 0.13811E-01 -0.12045E-01 364 0.449E-01 0.648E-01
DAV: 12 -0.382789363043E+03 0.28125E-01 -0.20134E-02 316 0.431E-01 0.372E-01
DAV: 13 -0.382775157324E+03 0.14206E-01 -0.54710E-02 332 0.609E-01 0.613E-01
DAV: 14 -0.382771086805E+03 0.40705E-02 -0.37996E-02 324 0.312E-01 0.198E-01
DAV: 15 -0.382777907360E+03 -0.68206E-02 -0.71074E-03 300 0.233E-01 0.169E-01
DAV: 16 -0.382789523352E+03 -0.11616E-01 -0.50920E-03 300 0.276E-01 0.116E-01
DAV: 17 -0.382800117173E+03 -0.10594E-01 -0.47760E-03 316 0.227E-01 0.880E-02
DAV: 18 -0.382808499495E+03 -0.83823E-02 -0.22611E-03 372 0.176E-01 0.679E-02
DAV: 19 -0.382811424295E+03 -0.29248E-02 -0.81762E-04 324 0.945E-02 0.693E-02
DAV: 20 -0.382812560777E+03 -0.11365E-02 -0.17598E-04 372 0.461E-02 0.707E-02
DAV: 21 -0.382810777676E+03 0.17831E-02 -0.29347E-04 340 0.734E-02 0.690E-02
DAV: 22 -0.382810964304E+03 -0.18663E-03 -0.67450E-04 380 0.815E-02 0.640E-02
DAV: 23 -0.382813438957E+03 -0.24747E-02 -0.10683E-03 388 0.135E-01 0.562E-02
DAV: 24 -0.382817299289E+03 -0.38603E-02 -0.34156E-03 396 0.281E-01 0.874E-02
DAV: 25 -0.382817241906E+03 0.57384E-04 -0.30574E-03 324 0.268E-01 0.769E-02
DAV: 26 -0.382819313034E+03 -0.20711E-02 -0.34951E-03 372 0.193E-01 0.759E-02
DAV: 27 -0.382819611266E+03 -0.29823E-03 -0.32430E-03 404 0.210E-01 0.106E-01
DAV: 28 -0.382818993806E+03 0.61746E-03 -0.74283E-03 396 0.278E-01 0.102E-01
DAV: 29 -0.382821156309E+03 -0.21625E-02 -0.95387E-03 300 0.226E-01 0.103E-01
DAV: 30 -0.382822060122E+03 -0.90381E-03 -0.26817E-03 356 0.176E-01 0.732E-02
DAV: 31 -0.382824771732E+03 -0.27116E-02 -0.84996E-03 324 0.154E-01 0.229E-01
DAV: 32 -0.382824321254E+03 0.45048E-03 -0.31503E-02 340 0.276E-01 0.831E-02
DAV: 33 -0.382824884262E+03 -0.56301E-03 -0.16092E-03 316 0.657E-02 0.104E-01
DAV: 34 -0.382824641329E+03 0.24293E-03 -0.26389E-04 316 0.542E-02 0.870E-02
DAV: 35 -0.382825025516E+03 -0.38419E-03 -0.29090E-04 332 0.473E-02 0.639E-02
DAV: 36 -0.382825527858E+03 -0.50234E-03 -0.13649E-04 332 0.376E-02 0.509E-02
DAV: 37 -0.382825658221E+03 -0.13036E-03 -0.45809E-05 324 0.179E-02 0.535E-02
DAV: 38 -0.382825633648E+03 0.24573E-04 -0.48691E-05 212 0.182E-02 0.412E-02
DAV: 39 -0.382825750424E+03 -0.11678E-03 -0.20753E-04 220 0.371E-02 0.650E-02
DAV: 40 -0.382825784576E+03 -0.34152E-04 -0.37918E-05 252 0.228E-02 0.556E-02
DAV: 41 -0.382825786346E+03 -0.17706E-05 -0.62667E-04 372 0.784E-02 0.246E-02
DAV: 42 -0.382825875905E+03 -0.89558E-04 -0.28775E-04 300 0.381E-02 0.354E-02
DAV: 43 -0.382825864380E+03 0.11525E-04 -0.94985E-05 244 0.244E-02 0.258E-02
DAV: 44 -0.382825908879E+03 -0.44499E-04 -0.22209E-05 276 0.182E-02 0.287E-02
DAV: 45 -0.382826007064E+03 -0.98186E-04 -0.87963E-05 356 0.327E-02 0.316E-02
DAV: 46 -0.382826577494E+03 -0.57043E-03 -0.14598E-03 355 0.110E-01 0.706E-02
DAV: 47 -0.382826479474E+03 0.98020E-04 -0.31902E-04 308 0.587E-02 0.677E-02
DAV: 48 -0.382826465359E+03 0.14114E-04 -0.25137E-04 356 0.494E-02 0.540E-02
DAV: 49 -0.382826418037E+03 0.47322E-04 -0.29837E-04 364 0.468E-02 0.335E-02
DAV: 50 -0.382826377362E+03 0.40675E-04 -0.40556E-04 364 0.869E-02 0.401E-02
DAV: 51 -0.382826399466E+03 -0.22104E-04 -0.21664E-04 300 0.286E-02 0.375E-02
DAV: 52 -0.382826387470E+03 0.11996E-04 -0.90714E-05 236 0.212E-02 0.446E-02
DAV: 53 -0.382826432619E+03 -0.45149E-04 -0.11005E-05 212 0.145E-02 0.447E-02
DAV: 54 -0.382826519989E+03 -0.87370E-04 -0.36850E-05 260 0.284E-02 0.453E-02
DAV: 55 -0.382826768839E+03 -0.24885E-03 -0.33955E-04 316 0.416E-02 0.815E-02
DAV: 56 -0.382826786095E+03 -0.17256E-04 -0.74417E-05 332 0.308E-02 0.873E-02
DAV: 57 -0.382826792425E+03 -0.63301E-05 -0.28354E-05 300 0.121E-02
1 F= -.38282679E+03 E0= -.38284576E+03 d E =0.569033E-01