iterations/neb0_image01_iter177_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 0.365403193331E+03 0.36540E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.314687040604E+01 -0.36226E+03 -0.34932E+03 842 0.196E+02
DAV: 3 -0.955778954458E+02 -0.98725E+02 -0.98376E+02 669 0.116E+02
DAV: 4 -0.100204819248E+03 -0.46269E+01 -0.46159E+01 688 0.287E+01
DAV: 5 -0.100297909796E+03 -0.93091E-01 -0.93042E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916761168502E+02 0.86218E+01 -0.31027E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908799017933E+02 0.79622E+00 -0.18305E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905067332188E+02 0.37317E+00 -0.54718E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904244989404E+02 0.82234E-01 -0.13066E-01 720 0.170E+00 0.424E-01
DAV: 10 -0.904199753087E+02 0.45236E-02 -0.47322E-02 720 0.124E+00 0.326E-01
DAV: 11 -0.904242061146E+02 -0.42308E-02 -0.87887E-03 608 0.639E-01 0.116E-01
DAV: 12 -0.904272522646E+02 -0.30461E-02 -0.61454E-03 621 0.418E-01 0.128E-01
DAV: 13 -0.904298725394E+02 -0.26203E-02 -0.14646E-03 853 0.294E-01 0.784E-02
DAV: 14 -0.904332601969E+02 -0.33877E-02 -0.17190E-03 631 0.219E-01 0.763E-02
DAV: 15 -0.904346095232E+02 -0.13493E-02 -0.29148E-04 824 0.128E-01 0.549E-02
DAV: 16 -0.904359654801E+02 -0.13560E-02 -0.11136E-03 661 0.208E-01 0.398E-02
DAV: 17 -0.904367839465E+02 -0.81847E-03 -0.17168E-04 725 0.878E-02 0.325E-02
DAV: 18 -0.904369932216E+02 -0.20928E-03 -0.33967E-05 704 0.304E-02 0.251E-02
DAV: 19 -0.904373001876E+02 -0.30697E-03 -0.10198E-04 649 0.612E-02 0.862E-03
DAV: 20 -0.904373429464E+02 -0.42759E-04 -0.26396E-05 656 0.321E-02 0.765E-03
DAV: 21 -0.904373779395E+02 -0.34993E-04 -0.63183E-06 421 0.148E-02 0.795E-03
DAV: 22 -0.904374157846E+02 -0.37845E-04 -0.66426E-06 452 0.148E-02 0.517E-03
DAV: 23 -0.904374198913E+02 -0.41067E-05 -0.56269E-06 512 0.138E-02
1 F= -.90437420E+02 E0= -.90444061E+02 d E =0.199245E-01