./iterations/neb0_image06_iter24_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 0.162801138478E+04 0.16280E+04 -0.42278E+04 306 0.696E+02
DAV: 2 0.303201992937E+03 -0.13248E+04 -0.12464E+04 420 0.167E+02
DAV: 3 -0.351914603755E+03 -0.65512E+03 -0.64898E+03 356 0.123E+02
DAV: 4 -0.432881089616E+03 -0.80966E+02 -0.80616E+02 308 0.545E+01
DAV: 5 -0.434798475785E+03 -0.19174E+01 -0.19136E+01 332 0.850E+00 0.426E+01
DAV: 6 -0.389025850322E+03 0.45773E+02 -0.14829E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385547867884E+03 0.34780E+01 -0.12551E+01 340 0.780E+00 0.103E+01
DAV: 8 -0.384116502088E+03 0.14314E+01 -0.18582E+00 332 0.376E+00 0.418E+00
DAV: 9 -0.383569205729E+03 0.54730E+00 -0.75116E-01 332 0.201E+00 0.953E-01
DAV: 10 -0.383514792202E+03 0.54414E-01 -0.92192E-02 348 0.895E-01 0.774E-01
DAV: 11 -0.383493737101E+03 0.21055E-01 -0.16577E-01 356 0.707E-01 0.923E-01
DAV: 12 -0.383471960411E+03 0.21777E-01 -0.12732E-01 364 0.440E-01 0.433E-01
DAV: 13 -0.383460417076E+03 0.11543E-01 -0.22801E-02 316 0.353E-01 0.260E-01
DAV: 14 -0.383456209218E+03 0.42079E-02 -0.23751E-02 316 0.454E-01 0.382E-01
DAV: 15 -0.383458604166E+03 -0.23949E-02 -0.14803E-02 324 0.259E-01 0.187E-01
DAV: 16 -0.383466635634E+03 -0.80315E-02 -0.44959E-03 292 0.203E-01 0.110E-01
DAV: 17 -0.383482835607E+03 -0.16200E-01 -0.69403E-03 292 0.260E-01 0.120E-01
DAV: 18 -0.383488636751E+03 -0.58011E-02 -0.32388E-03 324 0.145E-01 0.630E-02
DAV: 19 -0.383494079514E+03 -0.54428E-02 -0.49698E-04 300 0.662E-02 0.517E-02
DAV: 20 -0.383502097345E+03 -0.80178E-02 -0.58064E-04 308 0.680E-02 0.307E-02
DAV: 21 -0.383505732519E+03 -0.36352E-02 -0.29710E-04 332 0.479E-02 0.185E-02
DAV: 22 -0.383508308871E+03 -0.25764E-02 -0.12658E-04 308 0.323E-02 0.132E-02
DAV: 23 -0.383510457951E+03 -0.21491E-02 -0.15007E-04 300 0.391E-02 0.126E-02
DAV: 24 -0.383510811294E+03 -0.35334E-03 -0.81983E-05 324 0.233E-02 0.118E-02
DAV: 25 -0.383510865620E+03 -0.54326E-04 -0.39747E-06 236 0.608E-03 0.114E-02
DAV: 26 -0.383510841347E+03 0.24273E-04 -0.10074E-06 220 0.278E-03 0.118E-02
DAV: 27 -0.383510726284E+03 0.11506E-03 -0.43074E-06 204 0.129E-02 0.129E-02
DAV: 28 -0.383510668686E+03 0.57598E-04 -0.99556E-05 316 0.471E-02 0.179E-02
DAV: 29 -0.383510653526E+03 0.15160E-04 -0.85280E-05 324 0.205E-02 0.151E-02
DAV: 30 -0.383510701842E+03 -0.48316E-04 -0.58104E-06 204 0.731E-03 0.138E-02
DAV: 31 -0.383510938191E+03 -0.23635E-03 -0.34071E-05 252 0.379E-02 0.185E-02
DAV: 32 -0.383511150583E+03 -0.21239E-03 -0.56893E-04 380 0.141E-01 0.576E-02
DAV: 33 -0.383511466124E+03 -0.31554E-03 -0.32947E-04 292 0.961E-02 0.173E-02
DAV: 34 -0.383511556577E+03 -0.90453E-04 -0.17990E-04 364 0.543E-02 0.107E-02
DAV: 35 -0.383511704783E+03 -0.14821E-03 -0.13638E-04 316 0.429E-02 0.121E-02
DAV: 36 -0.383511727772E+03 -0.22989E-04 -0.64386E-05 324 0.220E-02 0.148E-02
DAV: 37 -0.383511748159E+03 -0.20387E-04 -0.53536E-06 212 0.969E-03 0.147E-02
DAV: 38 -0.383511788404E+03 -0.40245E-04 -0.19952E-05 244 0.238E-02 0.142E-02
DAV: 39 -0.383511922787E+03 -0.13438E-03 -0.13687E-04 363 0.590E-02 0.148E-02
DAV: 40 -0.383511972288E+03 -0.49501E-04 -0.14977E-04 324 0.306E-02 0.234E-02
DAV: 41 -0.383511979039E+03 -0.67505E-05 -0.16562E-05 284 0.108E-02
1 F= -.38351198E+03 E0= -.38352614E+03 d E =0.424945E-01