./iterations/neb0_image04_iter37_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 0.151116474642E+04 0.15112E+04 -0.43534E+04 322 0.697E+02
DAV: 2 0.254354711667E+03 -0.12568E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.354234773361E+03 -0.60859E+03 -0.60492E+03 348 0.118E+02
DAV: 4 -0.433103562978E+03 -0.78869E+02 -0.78526E+02 316 0.536E+01
DAV: 5 -0.434963523807E+03 -0.18600E+01 -0.18566E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389169014889E+03 0.45795E+02 -0.14842E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385711899991E+03 0.34571E+01 -0.12615E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384303178814E+03 0.14087E+01 -0.23669E+00 332 0.379E+00 0.423E+00
DAV: 9 -0.383730739053E+03 0.57244E+00 -0.67363E-01 332 0.200E+00 0.962E-01
DAV: 10 -0.383686556519E+03 0.44183E-01 -0.17506E-01 356 0.906E-01 0.803E-01
DAV: 11 -0.383656209219E+03 0.30347E-01 -0.55061E-02 340 0.530E-01 0.532E-01
DAV: 12 -0.383634102578E+03 0.22107E-01 -0.34330E-02 316 0.451E-01 0.327E-01
DAV: 13 -0.383626898075E+03 0.72045E-02 -0.31708E-02 316 0.489E-01 0.439E-01
DAV: 14 -0.383626845083E+03 0.52991E-04 -0.71504E-03 324 0.224E-01 0.247E-01
DAV: 15 -0.383632539613E+03 -0.56945E-02 -0.11139E-02 316 0.223E-01 0.189E-01
DAV: 16 -0.383641408965E+03 -0.88694E-02 -0.41963E-03 308 0.218E-01 0.159E-01
DAV: 17 -0.383650292170E+03 -0.88832E-02 -0.33566E-03 324 0.205E-01 0.156E-01
DAV: 18 -0.383659808877E+03 -0.95167E-02 -0.40142E-03 372 0.209E-01 0.892E-02
DAV: 19 -0.383662298573E+03 -0.24897E-02 -0.12132E-03 316 0.969E-02 0.873E-02
DAV: 20 -0.383663250916E+03 -0.95234E-03 -0.15240E-04 340 0.376E-02 0.900E-02
DAV: 21 -0.383662527012E+03 0.72390E-03 -0.15808E-04 332 0.530E-02 0.100E-01
DAV: 22 -0.383663585288E+03 -0.10583E-02 -0.71582E-04 340 0.855E-02 0.759E-02
DAV: 23 -0.383667391759E+03 -0.38065E-02 -0.17861E-03 380 0.158E-01 0.705E-02
DAV: 24 -0.383669512739E+03 -0.21210E-02 -0.15992E-03 380 0.165E-01 0.920E-02
DAV: 25 -0.383669566770E+03 -0.54031E-04 -0.13815E-03 316 0.155E-01 0.870E-02
DAV: 26 -0.383669733028E+03 -0.16626E-03 -0.15663E-03 388 0.128E-01 0.749E-02
DAV: 27 -0.383670598863E+03 -0.86584E-03 -0.83999E-04 372 0.984E-02 0.844E-02
DAV: 28 -0.383669736977E+03 0.86189E-03 -0.38593E-03 404 0.308E-01 0.157E-01
DAV: 29 -0.383670860764E+03 -0.11238E-02 -0.18567E-03 300 0.122E-01 0.146E-01
DAV: 30 -0.383670773255E+03 0.87509E-04 -0.20827E-04 332 0.322E-02 0.144E-01
DAV: 31 -0.383670735824E+03 0.37431E-04 -0.41509E-06 236 0.574E-03 0.145E-01
DAV: 32 -0.383670978552E+03 -0.24273E-03 -0.31417E-05 252 0.242E-02 0.139E-01
DAV: 33 -0.383675268276E+03 -0.42897E-02 -0.28313E-03 388 0.223E-01 0.732E-02
DAV: 34 -0.383680713715E+03 -0.54454E-02 -0.11408E-02 380 0.440E-01 0.134E-01
DAV: 35 -0.383682657606E+03 -0.19439E-02 -0.73379E-03 316 0.200E-01 0.235E-01
DAV: 36 -0.383682459179E+03 0.19843E-03 -0.25061E-04 324 0.418E-02 0.239E-01
DAV: 37 -0.383682373067E+03 0.86112E-04 -0.14826E-05 228 0.145E-02 0.237E-01
DAV: 38 -0.383682360416E+03 0.12651E-04 -0.59095E-06 220 0.985E-03 0.237E-01
DAV: 39 -0.383682562225E+03 -0.20181E-03 -0.26151E-05 268 0.286E-02 0.244E-01
DAV: 40 -0.383682377681E+03 0.18454E-03 -0.15009E-05 236 0.208E-02 0.239E-01
DAV: 41 -0.383681956568E+03 0.42111E-03 -0.22895E-04 412 0.640E-02 0.214E-01
DAV: 42 -0.383681244213E+03 0.71236E-03 -0.32933E-03 372 0.226E-01 0.136E-01
DAV: 43 -0.383680372626E+03 0.87159E-03 -0.57845E-03 412 0.271E-01 0.108E-01
DAV: 44 -0.383679827843E+03 0.54478E-03 -0.27688E-03 348 0.168E-01 0.125E-01
DAV: 45 -0.383679726020E+03 0.10182E-03 -0.37943E-04 316 0.467E-02 0.131E-01
DAV: 46 -0.383679576966E+03 0.14905E-03 -0.38424E-05 300 0.212E-02 0.136E-01
DAV: 47 -0.383679513677E+03 0.63289E-04 -0.17898E-05 259 0.107E-02 0.134E-01
DAV: 48 -0.383679543551E+03 -0.29874E-04 -0.26098E-06 196 0.705E-03 0.133E-01
DAV: 49 -0.383679877201E+03 -0.33365E-03 -0.22072E-04 388 0.598E-02 0.115E-01
DAV: 50 -0.383679962507E+03 -0.85306E-04 -0.91482E-05 292 0.205E-02 0.117E-01
DAV: 51 -0.383681368003E+03 -0.14055E-02 -0.38812E-03 404 0.279E-01 0.632E-02
DAV: 52 -0.383682300902E+03 -0.93290E-03 -0.36586E-03 332 0.159E-01 0.991E-02
DAV: 53 -0.383682363438E+03 -0.62535E-04 -0.50414E-04 324 0.567E-02 0.103E-01
DAV: 54 -0.383682345044E+03 0.18394E-04 -0.10413E-05 236 0.934E-03 0.101E-01
DAV: 55 -0.383682715282E+03 -0.37024E-03 -0.15809E-04 396 0.643E-02 0.109E-01
DAV: 56 -0.383682618807E+03 0.96475E-04 -0.55522E-05 292 0.280E-02 0.114E-01
DAV: 57 -0.383682927013E+03 -0.30821E-03 -0.56563E-05 300 0.457E-02 0.116E-01
DAV: 58 -0.383683054468E+03 -0.12745E-03 -0.10068E-04 316 0.270E-02 0.124E-01
DAV: 59 -0.383682973772E+03 0.80695E-04 -0.18464E-05 244 0.186E-02 0.121E-01
DAV: 60 -0.383682870501E+03 0.10327E-03 -0.51189E-05 292 0.257E-02 0.118E-01
DAV: 61 -0.383682864443E+03 0.60579E-05 -0.77155E-05 291 0.428E-02
1 F= -.38368286E+03 E0= -.38369645E+03 d E =0.407688E-01