iterations/neb0_image03_iter21_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 0.144882905580E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224755327579E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362437746965E+03 -0.58719E+03 -0.58352E+03 345 0.114E+02
DAV: 4 -0.433382739221E+03 -0.70945E+02 -0.70711E+02 309 0.508E+01
DAV: 5 -0.434973723791E+03 -0.15910E+01 -0.15883E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389051285074E+03 0.45922E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385606836370E+03 0.34444E+01 -0.13814E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384139354582E+03 0.14675E+01 -0.22142E+00 336 0.387E+00 0.435E+00
DAV: 9 -0.383597700250E+03 0.54165E+00 -0.17075E+00 336 0.244E+00 0.134E+00
DAV: 10 -0.383519430888E+03 0.78269E-01 -0.19062E-01 327 0.113E+00 0.927E-01
DAV: 11 -0.383491687587E+03 0.27743E-01 -0.14542E-01 345 0.675E-01 0.868E-01
DAV: 12 -0.383483732676E+03 0.79549E-02 -0.33065E-01 345 0.665E-01 0.897E-01
DAV: 13 -0.383466518445E+03 0.17214E-01 -0.15469E-01 363 0.523E-01 0.734E-01
DAV: 14 -0.383455122147E+03 0.11396E-01 -0.81457E-02 327 0.373E-01 0.574E-01
DAV: 15 -0.383449567542E+03 0.55546E-02 -0.23326E-02 327 0.466E-01 0.451E-01
DAV: 16 -0.383450814768E+03 -0.12472E-02 -0.25621E-02 318 0.279E-01 0.192E-01
DAV: 17 -0.383457745046E+03 -0.69303E-02 -0.28375E-03 282 0.147E-01 0.163E-01
DAV: 18 -0.383468866423E+03 -0.11121E-01 -0.28875E-03 300 0.161E-01 0.815E-02
DAV: 19 -0.383480081841E+03 -0.11215E-01 -0.22158E-03 309 0.150E-01 0.656E-02
DAV: 20 -0.383486671624E+03 -0.65898E-02 -0.94217E-04 327 0.879E-02 0.536E-02
DAV: 21 -0.383489322527E+03 -0.26509E-02 -0.14118E-04 318 0.319E-02 0.518E-02
DAV: 22 -0.383496285733E+03 -0.69632E-02 -0.57779E-04 291 0.535E-02 0.304E-02
DAV: 23 -0.383498217902E+03 -0.19322E-02 -0.98261E-05 318 0.229E-02 0.270E-02
DAV: 24 -0.383498832991E+03 -0.61509E-03 -0.43562E-05 318 0.188E-02 0.141E-02
DAV: 25 -0.383500145451E+03 -0.13125E-02 -0.47655E-05 273 0.140E-02 0.587E-03
DAV: 26 -0.383501129825E+03 -0.98437E-03 -0.52123E-05 300 0.121E-02 0.518E-03
DAV: 27 -0.383501337644E+03 -0.20782E-03 -0.54043E-06 237 0.670E-03 0.381E-03
DAV: 28 -0.383501515204E+03 -0.17756E-03 -0.60235E-06 201 0.554E-03 0.472E-03
DAV: 29 -0.383501587582E+03 -0.72378E-04 -0.27949E-06 228 0.443E-03 0.254E-03
DAV: 30 -0.383501649909E+03 -0.62328E-04 -0.30786E-06 210 0.419E-03 0.231E-03
DAV: 31 -0.383501663519E+03 -0.13610E-04 -0.11125E-06 228 0.277E-03 0.147E-03
DAV: 32 -0.383501673910E+03 -0.10391E-04 -0.72549E-07 228 0.231E-03 0.135E-03
DAV: 33 -0.383501690893E+03 -0.16983E-04 -0.51538E-07 201 0.170E-03 0.772E-04
DAV: 34 -0.383501696862E+03 -0.59693E-05 -0.32779E-07 228 0.120E-03
1 F= -.38350170E+03 E0= -.38351513E+03 d E =0.403106E-01