iterations/neb0_image05_iter22_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 0.145034133467E+04 0.14503E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232560760633E+03 -0.12178E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364866096918E+03 -0.59743E+03 -0.59415E+03 354 0.114E+02
DAV: 4 -0.433297374264E+03 -0.68431E+02 -0.68187E+02 318 0.494E+01
DAV: 5 -0.434795785250E+03 -0.14984E+01 -0.14959E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388948737900E+03 0.45847E+02 -0.14806E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385514818030E+03 0.34339E+01 -0.13400E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384056588888E+03 0.14582E+01 -0.22929E+00 345 0.388E+00 0.434E+00
DAV: 9 -0.383515786604E+03 0.54080E+00 -0.15327E+00 327 0.238E+00 0.127E+00
DAV: 10 -0.383435364218E+03 0.80422E-01 -0.17131E-01 327 0.112E+00 0.913E-01
DAV: 11 -0.383404719251E+03 0.30645E-01 -0.90894E-02 336 0.732E-01 0.684E-01
DAV: 12 -0.383385683706E+03 0.19036E-01 -0.28271E-02 327 0.546E-01 0.689E-01
DAV: 13 -0.383374823131E+03 0.10861E-01 -0.18534E-02 336 0.379E-01 0.534E-01
DAV: 14 -0.383368550767E+03 0.62724E-02 -0.42684E-02 336 0.491E-01 0.692E-01
DAV: 15 -0.383362945536E+03 0.56052E-02 -0.18367E-02 345 0.376E-01 0.236E-01
DAV: 16 -0.383369063474E+03 -0.61179E-02 -0.73657E-03 291 0.233E-01 0.171E-01
DAV: 17 -0.383373009191E+03 -0.39457E-02 -0.46408E-03 327 0.123E-01 0.120E-01
DAV: 18 -0.383385016871E+03 -0.12008E-01 -0.53571E-03 291 0.166E-01 0.136E-01
DAV: 19 -0.383389437658E+03 -0.44208E-02 -0.13972E-03 327 0.952E-02 0.687E-02
DAV: 20 -0.383400150262E+03 -0.10713E-01 -0.11482E-03 300 0.102E-01 0.727E-02
DAV: 21 -0.383405468450E+03 -0.53182E-02 -0.58432E-04 336 0.701E-02 0.374E-02
DAV: 22 -0.383408732084E+03 -0.32636E-02 -0.19894E-04 318 0.353E-02 0.227E-02
DAV: 23 -0.383412539681E+03 -0.38076E-02 -0.22683E-04 309 0.312E-02 0.161E-02
DAV: 24 -0.383414105794E+03 -0.15661E-02 -0.67097E-05 309 0.159E-02 0.180E-02
DAV: 25 -0.383415139005E+03 -0.10332E-02 -0.64544E-05 309 0.198E-02 0.933E-03
DAV: 26 -0.383415517269E+03 -0.37826E-03 -0.13296E-05 237 0.101E-02 0.754E-03
DAV: 27 -0.383415898005E+03 -0.38074E-03 -0.12953E-05 228 0.694E-03 0.594E-03
DAV: 28 -0.383416152580E+03 -0.25457E-03 -0.90344E-06 219 0.575E-03 0.190E-03
DAV: 29 -0.383416260725E+03 -0.10815E-03 -0.36990E-06 237 0.386E-03 0.376E-03
DAV: 30 -0.383416327198E+03 -0.66473E-04 -0.20915E-06 201 0.301E-03 0.194E-03
DAV: 31 -0.383416347924E+03 -0.20727E-04 -0.99436E-07 228 0.191E-03 0.836E-04
DAV: 32 -0.383416367009E+03 -0.19085E-04 -0.74935E-07 210 0.194E-03 0.481E-04
DAV: 33 -0.383416376225E+03 -0.92155E-05 -0.41883E-07 228 0.131E-03
1 F= -.38341638E+03 E0= -.38343316E+03 d E =0.503497E-01