./iterations/neb0_image04_iter5_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 0.151113874679E+04 0.15111E+04 -0.43532E+04 322 0.697E+02
DAV: 2 0.253829350385E+03 -0.12573E+04 -0.11803E+04 428 0.164E+02
DAV: 3 -0.354457223765E+03 -0.60829E+03 -0.60461E+03 348 0.118E+02
DAV: 4 -0.433109505422E+03 -0.78652E+02 -0.78311E+02 316 0.535E+01
DAV: 5 -0.434964916208E+03 -0.18554E+01 -0.18521E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389147032361E+03 0.45818E+02 -0.14859E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385692123291E+03 0.34549E+01 -0.12631E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384284020036E+03 0.14081E+01 -0.24896E+00 332 0.383E+00 0.424E+00
DAV: 9 -0.383713038136E+03 0.57098E+00 -0.64390E-01 332 0.199E+00 0.968E-01
DAV: 10 -0.383662961828E+03 0.50076E-01 -0.20012E-01 348 0.100E+00 0.915E-01
DAV: 11 -0.383646615850E+03 0.16346E-01 -0.13957E-01 324 0.460E-01 0.640E-01
DAV: 12 -0.383618237028E+03 0.28379E-01 -0.23705E-02 316 0.448E-01 0.345E-01
DAV: 13 -0.383615557417E+03 0.26796E-02 -0.16863E-01 340 0.616E-01 0.104E+00
DAV: 14 -0.383600969742E+03 0.14588E-01 -0.49608E-02 324 0.304E-01 0.353E-01
DAV: 15 -0.383608162708E+03 -0.71930E-02 -0.76933E-03 292 0.248E-01 0.178E-01
DAV: 16 -0.383617971678E+03 -0.98090E-02 -0.43261E-03 308 0.239E-01 0.150E-01
DAV: 17 -0.383630293993E+03 -0.12322E-01 -0.34896E-03 324 0.214E-01 0.142E-01
DAV: 18 -0.383640836650E+03 -0.10543E-01 -0.29732E-03 340 0.183E-01 0.580E-02
DAV: 19 -0.383646292112E+03 -0.54555E-02 -0.10608E-03 340 0.991E-02 0.520E-02
DAV: 20 -0.383651008092E+03 -0.47160E-02 -0.34953E-04 316 0.603E-02 0.411E-02
DAV: 21 -0.383653378188E+03 -0.23701E-02 -0.29896E-04 372 0.577E-02 0.359E-02
DAV: 22 -0.383653520421E+03 -0.14223E-03 -0.92145E-05 324 0.240E-02 0.364E-02
DAV: 23 -0.383653518121E+03 0.23001E-05 -0.14278E-06 228 0.303E-03
1 F= -.38365352E+03 E0= -.38367001E+03 d E =0.494656E-01