iterations/neb0_image04_iter73_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 0.144873759013E+04 0.14487E+04 -0.44204E+04 330 0.697E+02
DAV: 2 0.227647990508E+03 -0.12211E+04 -0.11451E+04 426 0.163E+02
DAV: 3 -0.365165554435E+03 -0.59281E+03 -0.58953E+03 354 0.114E+02
DAV: 4 -0.433464390460E+03 -0.68299E+02 -0.68066E+02 300 0.495E+01
DAV: 5 -0.434992693704E+03 -0.15283E+01 -0.15256E+01 327 0.761E+00 0.426E+01
DAV: 6 -0.389051881569E+03 0.45941E+02 -0.14863E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385586358456E+03 0.34655E+01 -0.13231E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384102041139E+03 0.14843E+01 -0.19303E+00 327 0.380E+00 0.427E+00
DAV: 9 -0.383550197434E+03 0.55184E+00 -0.64495E-01 336 0.205E+00 0.109E+00
DAV: 10 -0.383488107861E+03 0.62090E-01 -0.19887E-01 327 0.939E-01 0.779E-01
DAV: 11 -0.383460080803E+03 0.28027E-01 -0.41639E-02 336 0.507E-01 0.572E-01
DAV: 12 -0.383442071014E+03 0.18010E-01 -0.18167E-02 336 0.408E-01 0.476E-01
DAV: 13 -0.383426477577E+03 0.15593E-01 -0.14978E-02 318 0.411E-01 0.316E-01
DAV: 14 -0.383427374055E+03 -0.89648E-03 -0.18763E-02 327 0.317E-01 0.224E-01
DAV: 15 -0.383432819588E+03 -0.54455E-02 -0.10600E-02 300 0.263E-01 0.191E-01
DAV: 16 -0.383445245960E+03 -0.12426E-01 -0.67440E-03 291 0.244E-01 0.104E-01
DAV: 17 -0.383455195674E+03 -0.99497E-02 -0.31782E-03 327 0.163E-01 0.715E-02
DAV: 18 -0.383462216170E+03 -0.70205E-02 -0.84677E-04 354 0.821E-02 0.591E-02
DAV: 19 -0.383465596040E+03 -0.33799E-02 -0.23933E-04 381 0.440E-02 0.543E-02
DAV: 20 -0.383466861635E+03 -0.12656E-02 -0.74503E-05 345 0.260E-02 0.572E-02
DAV: 21 -0.383466928491E+03 -0.66856E-04 -0.19202E-05 291 0.959E-03 0.563E-02
DAV: 22 -0.383466974058E+03 -0.45567E-04 -0.16611E-04 354 0.407E-02 0.501E-02
DAV: 23 -0.383472572686E+03 -0.55986E-02 -0.75708E-04 336 0.744E-02 0.330E-02
DAV: 24 -0.383475777168E+03 -0.32045E-02 -0.43770E-04 363 0.517E-02 0.342E-02
DAV: 25 -0.383476852917E+03 -0.10757E-02 -0.66694E-05 372 0.290E-02 0.230E-02
DAV: 26 -0.383479105036E+03 -0.22521E-02 -0.15269E-04 318 0.424E-02 0.159E-02
DAV: 27 -0.383480839000E+03 -0.17340E-02 -0.22320E-04 363 0.434E-02 0.174E-02
DAV: 28 -0.383481399264E+03 -0.56026E-03 -0.12690E-04 354 0.282E-02 0.178E-02
DAV: 29 -0.383481501377E+03 -0.10211E-03 -0.13163E-05 309 0.120E-02 0.135E-02
DAV: 30 -0.383481772110E+03 -0.27073E-03 -0.59613E-05 327 0.266E-02 0.166E-02
DAV: 31 -0.383481723923E+03 0.48187E-04 -0.31508E-05 291 0.199E-02 0.156E-02
DAV: 32 -0.383481697632E+03 0.26290E-04 -0.80703E-05 336 0.247E-02 0.116E-02
DAV: 33 -0.383482107287E+03 -0.40965E-03 -0.96835E-05 336 0.248E-02 0.106E-02
DAV: 34 -0.383482188438E+03 -0.81152E-04 -0.78234E-05 354 0.359E-02 0.743E-03
DAV: 35 -0.383482233907E+03 -0.45469E-04 -0.12505E-04 354 0.271E-02 0.963E-03
DAV: 36 -0.383482235984E+03 -0.20774E-05 -0.31790E-05 291 0.115E-02
1 F= -.38348224E+03 E0= -.38349695E+03 d E =0.441282E-01