./iterations/neb0_image05_iter21_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 0.151254991431E+04 0.15125E+04 -0.43540E+04 322 0.697E+02
DAV: 2 0.253278964895E+03 -0.12593E+04 -0.11820E+04 428 0.164E+02
DAV: 3 -0.354656607151E+03 -0.60794E+03 -0.60420E+03 348 0.118E+02
DAV: 4 -0.433052555340E+03 -0.78396E+02 -0.78063E+02 308 0.535E+01
DAV: 5 -0.434915435637E+03 -0.18629E+01 -0.18594E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389104797475E+03 0.45811E+02 -0.14836E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385631909570E+03 0.34729E+01 -0.12518E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384204712328E+03 0.14272E+01 -0.19017E+00 332 0.375E+00 0.420E+00
DAV: 9 -0.383668207363E+03 0.53650E+00 -0.12220E+00 332 0.210E+00 0.101E+00
DAV: 10 -0.383613318415E+03 0.54889E-01 -0.95586E-02 340 0.896E-01 0.790E-01
DAV: 11 -0.383590591387E+03 0.22727E-01 -0.18749E-01 356 0.776E-01 0.930E-01
DAV: 12 -0.383565469984E+03 0.25121E-01 -0.84669E-02 348 0.455E-01 0.425E-01
DAV: 13 -0.383553291464E+03 0.12179E-01 -0.15781E-02 372 0.440E-01 0.358E-01
DAV: 14 -0.383550204370E+03 0.30871E-02 -0.16920E-02 308 0.323E-01 0.212E-01
DAV: 15 -0.383555352474E+03 -0.51481E-02 -0.42235E-02 292 0.416E-01 0.554E-01
DAV: 16 -0.383557462499E+03 -0.21100E-02 -0.37382E-02 324 0.252E-01 0.178E-01
DAV: 17 -0.383566549770E+03 -0.90873E-02 -0.79776E-03 300 0.192E-01 0.142E-01
DAV: 18 -0.383575664623E+03 -0.91149E-02 -0.29261E-03 300 0.160E-01 0.963E-02
DAV: 19 -0.383584098812E+03 -0.84342E-02 -0.21031E-03 324 0.175E-01 0.102E-01
DAV: 20 -0.383587392148E+03 -0.32933E-02 -0.13776E-03 316 0.114E-01 0.918E-02
DAV: 21 -0.383588400683E+03 -0.10085E-02 -0.19597E-04 332 0.441E-02 0.901E-02
DAV: 22 -0.383588165655E+03 0.23503E-03 -0.38068E-05 308 0.203E-02 0.948E-02
DAV: 23 -0.383587286804E+03 0.87885E-03 -0.46975E-04 372 0.894E-02 0.936E-02
DAV: 24 -0.383588770903E+03 -0.14841E-02 -0.17181E-03 388 0.147E-01 0.105E-01
DAV: 25 -0.383590141834E+03 -0.13709E-02 -0.91248E-04 340 0.943E-02 0.991E-02
DAV: 26 -0.383590341499E+03 -0.19966E-03 -0.16217E-04 396 0.577E-02 0.101E-01
DAV: 27 -0.383590788517E+03 -0.44702E-03 -0.46133E-04 324 0.121E-01 0.109E-01
DAV: 28 -0.383590701313E+03 0.87204E-04 -0.23624E-03 388 0.213E-01 0.131E-01
DAV: 29 -0.383594431824E+03 -0.37305E-02 -0.26776E-03 324 0.283E-01 0.644E-02
DAV: 30 -0.383598641277E+03 -0.42095E-02 -0.38417E-03 364 0.208E-01 0.747E-02
DAV: 31 -0.383601140043E+03 -0.24988E-02 -0.27215E-03 364 0.165E-01 0.138E-01
DAV: 32 -0.383602058493E+03 -0.91845E-03 -0.75815E-04 380 0.108E-01 0.171E-01
DAV: 33 -0.383601741789E+03 0.31670E-03 -0.22132E-04 300 0.436E-02 0.174E-01
DAV: 34 -0.383601707988E+03 0.33801E-04 -0.28187E-05 316 0.107E-02 0.169E-01
DAV: 35 -0.383601479295E+03 0.22869E-03 -0.18832E-05 276 0.266E-02 0.165E-01
DAV: 36 -0.383601688195E+03 -0.20890E-03 -0.92007E-06 228 0.214E-02 0.167E-01
DAV: 37 -0.383601393048E+03 0.29515E-03 -0.21574E-04 388 0.675E-02 0.143E-01
DAV: 38 -0.383600538586E+03 0.85446E-03 -0.11014E-03 388 0.150E-01 0.111E-01
DAV: 39 -0.383600171215E+03 0.36737E-03 -0.17740E-03 396 0.155E-01 0.961E-02
DAV: 40 -0.383599929214E+03 0.24200E-03 -0.11297E-03 388 0.144E-01 0.102E-01
DAV: 41 -0.383600272413E+03 -0.34320E-03 -0.68660E-04 292 0.817E-02 0.816E-02
DAV: 42 -0.383601930424E+03 -0.16580E-02 -0.23754E-03 348 0.242E-01 0.707E-02
DAV: 43 -0.383603541334E+03 -0.16109E-02 -0.35932E-03 324 0.158E-01 0.116E-01
DAV: 44 -0.383603050893E+03 0.49044E-03 -0.66438E-04 332 0.957E-02 0.106E-01
DAV: 45 -0.383602797105E+03 0.25379E-03 -0.29624E-04 332 0.589E-02 0.886E-02
DAV: 46 -0.383602673757E+03 0.12335E-03 -0.19182E-04 380 0.555E-02 0.754E-02
DAV: 47 -0.383602579884E+03 0.93873E-04 -0.28428E-04 380 0.115E-01 0.737E-02
DAV: 48 -0.383602215702E+03 0.36418E-03 -0.13641E-03 388 0.195E-01 0.902E-02
DAV: 49 -0.383601761731E+03 0.45397E-03 -0.21209E-03 348 0.145E-01 0.905E-02
DAV: 50 -0.383601750958E+03 0.10773E-04 -0.54252E-04 324 0.569E-02 0.971E-02
DAV: 51 -0.383601599069E+03 0.15189E-03 -0.28854E-05 284 0.226E-02 0.998E-02
DAV: 52 -0.383601625495E+03 -0.26426E-04 -0.12651E-05 244 0.998E-03 0.984E-02
DAV: 53 -0.383601667659E+03 -0.42164E-04 -0.44268E-06 228 0.845E-03 0.966E-02
DAV: 54 -0.383601759196E+03 -0.91537E-04 -0.20666E-05 252 0.190E-02 0.911E-02
DAV: 55 -0.383601913693E+03 -0.15450E-03 -0.10916E-04 332 0.339E-02 0.763E-02
DAV: 56 -0.383602479453E+03 -0.56576E-03 -0.48637E-04 412 0.116E-01 0.506E-02
DAV: 57 -0.383602923965E+03 -0.44451E-03 -0.88200E-04 388 0.999E-02 0.557E-02
DAV: 58 -0.383603057139E+03 -0.13317E-03 -0.28926E-04 324 0.432E-02 0.600E-02
DAV: 59 -0.383603122826E+03 -0.65687E-04 -0.94806E-06 204 0.116E-02 0.593E-02
DAV: 60 -0.383603056173E+03 0.66653E-04 -0.41308E-05 276 0.374E-02 0.607E-02
DAV: 61 -0.383603108873E+03 -0.52700E-04 -0.32811E-05 316 0.118E-02 0.552E-02
DAV: 62 -0.383603179358E+03 -0.70485E-04 -0.72233E-06 252 0.164E-02 0.550E-02
DAV: 63 -0.383603234123E+03 -0.54765E-04 -0.21615E-05 268 0.140E-02 0.582E-02
DAV: 64 -0.383603253864E+03 -0.19741E-04 -0.60730E-06 236 0.746E-03 0.594E-02
DAV: 65 -0.383603233866E+03 0.19998E-04 -0.14674E-06 212 0.541E-03 0.607E-02
DAV: 66 -0.383603391326E+03 -0.15746E-03 -0.36105E-05 276 0.400E-02 0.576E-02
DAV: 67 -0.383603632944E+03 -0.24162E-03 -0.17994E-04 388 0.609E-02 0.622E-02
DAV: 68 -0.383603698126E+03 -0.65182E-04 -0.13565E-04 324 0.248E-02 0.720E-02
DAV: 69 -0.383603687280E+03 0.10845E-04 -0.47850E-06 220 0.564E-03 0.724E-02
DAV: 70 -0.383603737913E+03 -0.50633E-04 -0.18397E-06 228 0.114E-02 0.719E-02
DAV: 71 -0.383603472274E+03 0.26564E-03 -0.77999E-05 316 0.626E-02 0.703E-02
DAV: 72 -0.383603674500E+03 -0.20223E-03 -0.47136E-05 283 0.481E-02 0.651E-02
DAV: 73 -0.383604032045E+03 -0.35755E-03 -0.18592E-04 372 0.737E-02 0.723E-02
DAV: 74 -0.383604375244E+03 -0.34320E-03 -0.29428E-04 380 0.636E-02 0.867E-02
DAV: 75 -0.383604365815E+03 0.94285E-05 -0.11701E-04 316 0.230E-02 0.927E-02
DAV: 76 -0.383603430671E+03 0.93514E-03 -0.76874E-04 404 0.174E-01 0.817E-02
DAV: 77 -0.383603485121E+03 -0.54451E-04 -0.58001E-04 316 0.403E-02 0.615E-02
DAV: 78 -0.383603640305E+03 -0.15518E-03 -0.25556E-05 252 0.345E-02 0.585E-02
DAV: 79 -0.383603800894E+03 -0.16059E-03 -0.71926E-05 332 0.385E-02 0.613E-02
DAV: 80 -0.383603800904E+03 -0.10563E-07 -0.41402E-05 292 0.136E-02
1 F= -.38360380E+03 E0= -.38361753E+03 d E =0.411858E-01