iterations/neb0_image02_iter34_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 0.144789456971E+04 0.14479E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224346178406E+03 -0.12235E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.362890074178E+03 -0.58724E+03 -0.58410E+03 345 0.114E+02
DAV: 4 -0.433447837901E+03 -0.70558E+02 -0.70322E+02 309 0.508E+01
DAV: 5 -0.435031522704E+03 -0.15837E+01 -0.15811E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389081915480E+03 0.45950E+02 -0.14801E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385611343625E+03 0.34706E+01 -0.13246E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384138328071E+03 0.14730E+01 -0.20568E+00 336 0.379E+00 0.428E+00
DAV: 9 -0.383584439468E+03 0.55389E+00 -0.10704E+00 336 0.223E+00 0.116E+00
DAV: 10 -0.383525524068E+03 0.58915E-01 -0.22249E-01 327 0.107E+00 0.119E+00
DAV: 11 -0.383508787493E+03 0.16737E-01 -0.39222E-01 345 0.653E-01 0.109E+00
DAV: 12 -0.383506445252E+03 0.23422E-02 -0.39195E-01 354 0.792E-01 0.112E+00
DAV: 13 -0.383467499828E+03 0.38945E-01 -0.34274E-02 381 0.549E-01 0.636E-01
DAV: 14 -0.383462229161E+03 0.52707E-02 -0.12997E-02 309 0.294E-01 0.507E-01
DAV: 15 -0.383457006807E+03 0.52224E-02 -0.29343E-02 372 0.419E-01 0.476E-01
DAV: 16 -0.383453764250E+03 0.32426E-02 -0.19650E-02 336 0.324E-01 0.226E-01
DAV: 17 -0.383458470382E+03 -0.47061E-02 -0.49985E-03 318 0.202E-01 0.160E-01
DAV: 18 -0.383468147909E+03 -0.96775E-02 -0.21161E-03 291 0.161E-01 0.937E-02
DAV: 19 -0.383482106911E+03 -0.13959E-01 -0.35823E-03 309 0.190E-01 0.116E-01
DAV: 20 -0.383489050735E+03 -0.69438E-02 -0.14408E-03 318 0.120E-01 0.721E-02
DAV: 21 -0.383492997322E+03 -0.39466E-02 -0.25940E-04 318 0.405E-02 0.519E-02
DAV: 22 -0.383499131243E+03 -0.61339E-02 -0.39108E-04 300 0.425E-02 0.461E-02
DAV: 23 -0.383502498649E+03 -0.33674E-02 -0.16082E-04 336 0.302E-02 0.214E-02
DAV: 24 -0.383504153519E+03 -0.16549E-02 -0.63632E-05 327 0.200E-02 0.118E-02
DAV: 25 -0.383506520984E+03 -0.23675E-02 -0.12786E-04 291 0.198E-02 0.109E-02
DAV: 26 -0.383507276914E+03 -0.75593E-03 -0.25991E-05 255 0.946E-03 0.577E-03
DAV: 27 -0.383507842822E+03 -0.56591E-03 -0.28483E-05 273 0.102E-02 0.510E-03
DAV: 28 -0.383508014636E+03 -0.17181E-03 -0.38873E-06 228 0.529E-03 0.437E-03
DAV: 29 -0.383508102741E+03 -0.88105E-04 -0.35361E-06 228 0.521E-03 0.361E-03
DAV: 30 -0.383508161536E+03 -0.58795E-04 -0.20299E-06 201 0.348E-03 0.169E-03
DAV: 31 -0.383508200455E+03 -0.38920E-04 -0.13576E-06 210 0.246E-03 0.164E-03
DAV: 32 -0.383508216626E+03 -0.16171E-04 -0.65405E-07 219 0.174E-03 0.803E-04
DAV: 33 -0.383508226715E+03 -0.10089E-04 -0.41195E-07 210 0.152E-03 0.517E-04
DAV: 34 -0.383508234854E+03 -0.81394E-05 -0.28805E-07 201 0.960E-04
1 F= -.38350823E+03 E0= -.38352489E+03 d E =0.499512E-01