iterations/neb0_image01_iter202_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 0.365878438198E+03 0.36588E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324731536995E+01 -0.36263E+03 -0.34963E+03 839 0.196E+02
DAV: 3 -0.955538605822E+02 -0.98801E+02 -0.98453E+02 661 0.116E+02
DAV: 4 -0.100240237214E+03 -0.46864E+01 -0.46753E+01 696 0.291E+01
DAV: 5 -0.100333842512E+03 -0.93605E-01 -0.93556E-01 728 0.368E+00 0.222E+01
DAV: 6 -0.916959059337E+02 0.86379E+01 -0.30924E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908863271711E+02 0.80958E+00 -0.18293E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905097077295E+02 0.37662E+00 -0.55404E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904275576053E+02 0.82150E-01 -0.13280E-01 728 0.167E+00 0.423E-01
DAV: 10 -0.904230215236E+02 0.45361E-02 -0.47041E-02 712 0.124E+00 0.322E-01
DAV: 11 -0.904271571521E+02 -0.41356E-02 -0.79369E-03 608 0.569E-01 0.120E-01
DAV: 12 -0.904305053358E+02 -0.33482E-02 -0.63611E-03 637 0.440E-01 0.131E-01
DAV: 13 -0.904329395147E+02 -0.24342E-02 -0.15867E-03 853 0.308E-01 0.746E-02
DAV: 14 -0.904361489827E+02 -0.32095E-02 -0.14569E-03 634 0.192E-01 0.679E-02
DAV: 15 -0.904377456704E+02 -0.15967E-02 -0.29399E-04 688 0.112E-01 0.539E-02
DAV: 16 -0.904391479241E+02 -0.14023E-02 -0.10953E-03 661 0.204E-01 0.394E-02
DAV: 17 -0.904399422171E+02 -0.79429E-03 -0.14341E-04 661 0.835E-02 0.337E-02
DAV: 18 -0.904402496249E+02 -0.30741E-03 -0.82213E-05 680 0.454E-02 0.184E-02
DAV: 19 -0.904404392758E+02 -0.18965E-03 -0.91818E-05 631 0.537E-02 0.899E-03
DAV: 20 -0.904404680549E+02 -0.28779E-04 -0.95799E-06 504 0.211E-02 0.982E-03
DAV: 21 -0.904405042933E+02 -0.36238E-04 -0.71776E-06 407 0.153E-02 0.748E-03
DAV: 22 -0.904405181471E+02 -0.13854E-04 -0.52483E-06 480 0.188E-02 0.322E-03
DAV: 23 -0.904405215650E+02 -0.34179E-05 -0.77429E-06 504 0.158E-02
1 F= -.90440522E+02 E0= -.90446044E+02 d E =0.165659E-01