iterations/neb0_image05_iter33_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144961539159E+04 0.14496E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.231780018129E+03 -0.12178E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.361304349494E+03 -0.59308E+03 -0.58988E+03 345 0.114E+02
DAV: 4 -0.433166669236E+03 -0.71862E+02 -0.71609E+02 318 0.515E+01
DAV: 5 -0.434807002638E+03 -0.16403E+01 -0.16377E+01 318 0.796E+00 0.426E+01
DAV: 6 -0.388976212497E+03 0.45831E+02 -0.14711E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385525305924E+03 0.34509E+01 -0.13362E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384051789613E+03 0.14735E+01 -0.19007E+00 345 0.381E+00 0.430E+00
DAV: 9 -0.383522747251E+03 0.52904E+00 -0.97439E-01 336 0.214E+00 0.109E+00
DAV: 10 -0.383449341584E+03 0.73406E-01 -0.15156E-01 327 0.974E-01 0.869E-01
DAV: 11 -0.383418881040E+03 0.30461E-01 -0.69212E-02 327 0.571E-01 0.661E-01
DAV: 12 -0.383406026619E+03 0.12854E-01 -0.15788E-01 345 0.538E-01 0.100E+00
DAV: 13 -0.383387729346E+03 0.18297E-01 -0.20189E-01 354 0.513E-01 0.527E-01
DAV: 14 -0.383378279520E+03 0.94498E-02 -0.19536E-02 309 0.413E-01 0.444E-01
DAV: 15 -0.383378594409E+03 -0.31489E-03 -0.24281E-02 327 0.301E-01 0.620E-01
DAV: 16 -0.383377932977E+03 0.66143E-03 -0.40408E-02 309 0.267E-01 0.165E-01
DAV: 17 -0.383388370622E+03 -0.10438E-01 -0.57709E-03 318 0.220E-01 0.171E-01
DAV: 18 -0.383398788238E+03 -0.10418E-01 -0.28747E-03 300 0.183E-01 0.947E-02
DAV: 19 -0.383408109381E+03 -0.93211E-02 -0.26660E-03 318 0.132E-01 0.897E-02
DAV: 20 -0.383415438111E+03 -0.73287E-02 -0.63013E-04 327 0.645E-02 0.668E-02
DAV: 21 -0.383421673261E+03 -0.62351E-02 -0.37599E-04 309 0.407E-02 0.411E-02
DAV: 22 -0.383425253512E+03 -0.35803E-02 -0.18052E-04 336 0.297E-02 0.172E-02
DAV: 23 -0.383427657958E+03 -0.24044E-02 -0.11330E-04 300 0.217E-02 0.211E-02
DAV: 24 -0.383428997958E+03 -0.13400E-02 -0.60508E-05 300 0.142E-02 0.102E-02
DAV: 25 -0.383429760135E+03 -0.76218E-03 -0.25473E-05 255 0.967E-03 0.768E-03
DAV: 26 -0.383430261927E+03 -0.50179E-03 -0.25078E-05 237 0.105E-02 0.653E-03
DAV: 27 -0.383430428247E+03 -0.16632E-03 -0.67782E-06 228 0.574E-03 0.343E-03
DAV: 28 -0.383430509961E+03 -0.81715E-04 -0.26572E-06 210 0.417E-03 0.228E-03
DAV: 29 -0.383430588243E+03 -0.78282E-04 -0.33438E-06 201 0.419E-03 0.263E-03
DAV: 30 -0.383430607619E+03 -0.19376E-04 -0.93827E-07 228 0.271E-03 0.155E-03
DAV: 31 -0.383430629179E+03 -0.21559E-04 -0.16353E-06 210 0.328E-03 0.143E-03
DAV: 32 -0.383430638301E+03 -0.91221E-05 -0.46529E-07 228 0.223E-03
1 F= -.38343064E+03 E0= -.38344747E+03 d E =0.504946E-01