./iterations/neb0_image08_iter71_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.376712112067E+03 0.37671E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.474628660104E+01 -0.37197E+03 -0.35745E+03 861 0.196E+02
DAV: 3 -0.966952998022E+02 -0.10144E+03 -0.10111E+03 688 0.117E+02
DAV: 4 -0.101139532782E+03 -0.44442E+01 -0.44339E+01 696 0.278E+01
DAV: 5 -0.101226122710E+03 -0.86590E-01 -0.86553E-01 736 0.350E+00 0.228E+01
DAV: 6 -0.925776652330E+02 0.86485E+01 -0.30809E+01 698 0.302E+01 0.119E+01
DAV: 7 -0.917044486703E+02 0.87322E+00 -0.16950E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913233454181E+02 0.38110E+00 -0.55476E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912389194782E+02 0.84426E-01 -0.13093E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912293568533E+02 0.95626E-02 -0.48469E-02 720 0.114E+00 0.312E-01
DAV: 11 -0.912342481946E+02 -0.48913E-02 -0.15313E-02 624 0.642E-01 0.165E-01
DAV: 12 -0.912370197277E+02 -0.27715E-02 -0.31565E-03 620 0.246E-01 0.132E-01
DAV: 13 -0.912410320804E+02 -0.40124E-02 -0.26406E-03 677 0.288E-01 0.515E-02
DAV: 14 -0.912439348269E+02 -0.29027E-02 -0.47643E-04 656 0.120E-01 0.343E-02
DAV: 15 -0.912462043826E+02 -0.22696E-02 -0.21188E-04 645 0.591E-02 0.309E-02
DAV: 16 -0.912471199048E+02 -0.91552E-03 -0.18987E-04 669 0.678E-02 0.126E-02
DAV: 17 -0.912476284967E+02 -0.50859E-03 -0.39466E-05 570 0.290E-02 0.135E-02
DAV: 18 -0.912478502034E+02 -0.22171E-03 -0.33621E-05 592 0.261E-02 0.602E-03
DAV: 19 -0.912478923676E+02 -0.42164E-04 -0.47114E-06 496 0.156E-02 0.237E-03
DAV: 20 -0.912479249670E+02 -0.32599E-04 -0.70800E-06 412 0.147E-02 0.371E-03
DAV: 21 -0.912479373928E+02 -0.12426E-04 -0.18463E-06 464 0.813E-03 0.290E-03
DAV: 22 -0.912479389678E+02 -0.15751E-05 -0.20385E-06 520 0.920E-03
1 F= -.91247939E+02 E0= -.91252805E+02 d E =0.145995E-01