iterations/neb0_image05_iter70_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 0.144842019023E+04 0.14484E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.230365329369E+03 -0.12181E+04 -0.11411E+04 417 0.163E+02
DAV: 3 -0.364454752750E+03 -0.59482E+03 -0.59161E+03 354 0.114E+02
DAV: 4 -0.433362573717E+03 -0.68908E+02 -0.68658E+02 309 0.496E+01
DAV: 5 -0.434918851037E+03 -0.15563E+01 -0.15535E+01 327 0.770E+00 0.427E+01
DAV: 6 -0.388892388518E+03 0.46026E+02 -0.14955E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385410020800E+03 0.34824E+01 -0.13131E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383947007476E+03 0.14630E+01 -0.22035E+00 327 0.385E+00 0.432E+00
DAV: 9 -0.383397940394E+03 0.54907E+00 -0.12266E+00 336 0.212E+00 0.108E+00
DAV: 10 -0.383326041565E+03 0.71899E-01 -0.14630E-01 318 0.101E+00 0.875E-01
DAV: 11 -0.383298937722E+03 0.27104E-01 -0.61466E-02 336 0.657E-01 0.788E-01
DAV: 12 -0.383281395915E+03 0.17542E-01 -0.14673E-01 336 0.480E-01 0.507E-01
DAV: 13 -0.383260249158E+03 0.21147E-01 -0.32808E-02 309 0.458E-01 0.266E-01
DAV: 14 -0.383260277915E+03 -0.28756E-04 -0.48052E-02 318 0.410E-01 0.511E-01
DAV: 15 -0.383260538038E+03 -0.26012E-03 -0.23440E-02 309 0.241E-01 0.214E-01
DAV: 16 -0.383270891921E+03 -0.10354E-01 -0.42140E-03 300 0.221E-01 0.129E-01
DAV: 17 -0.383281631082E+03 -0.10739E-01 -0.56533E-03 300 0.222E-01 0.150E-01
DAV: 18 -0.383288227332E+03 -0.65963E-02 -0.18916E-03 327 0.113E-01 0.928E-02
DAV: 19 -0.383295596591E+03 -0.73693E-02 -0.42804E-04 327 0.519E-02 0.531E-02
DAV: 20 -0.383304200746E+03 -0.86042E-02 -0.60674E-04 309 0.543E-02 0.292E-02
DAV: 21 -0.383307124497E+03 -0.29238E-02 -0.12653E-04 318 0.256E-02 0.190E-02
DAV: 22 -0.383309433423E+03 -0.23089E-02 -0.76776E-05 291 0.174E-02 0.163E-02
DAV: 23 -0.383311667841E+03 -0.22344E-02 -0.12401E-04 291 0.198E-02 0.115E-02
DAV: 24 -0.383312498681E+03 -0.83084E-03 -0.36447E-05 282 0.115E-02 0.594E-03
DAV: 25 -0.383312899705E+03 -0.40102E-03 -0.10757E-05 228 0.785E-03 0.630E-03
DAV: 26 -0.383313123982E+03 -0.22428E-03 -0.95959E-06 201 0.583E-03 0.298E-03
DAV: 27 -0.383313215930E+03 -0.91949E-04 -0.39396E-06 219 0.406E-03 0.215E-03
DAV: 28 -0.383313241860E+03 -0.25929E-04 -0.11276E-06 237 0.224E-03 0.167E-03
DAV: 29 -0.383313285329E+03 -0.43469E-04 -0.15922E-06 201 0.234E-03 0.841E-04
DAV: 30 -0.383313297626E+03 -0.12297E-04 -0.60446E-07 219 0.150E-03 0.708E-04
DAV: 31 -0.383313301038E+03 -0.34122E-05 -0.19583E-07 237 0.819E-04
1 F= -.38331330E+03 E0= -.38332678E+03 d E =0.404361E-01