iterations/neb0_image08_iter47_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 0.375265063909E+03 0.37527E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.368920063855E+01 -0.37158E+03 -0.35787E+03 869 0.196E+02
DAV: 3 -0.966635742227E+02 -0.10035E+03 -0.10002E+03 680 0.117E+02
DAV: 4 -0.101066423748E+03 -0.44028E+01 -0.43927E+01 696 0.279E+01
DAV: 5 -0.101152638189E+03 -0.86214E-01 -0.86176E-01 728 0.353E+00 0.226E+01
DAV: 6 -0.925438411574E+02 0.86088E+01 -0.30761E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916723465617E+02 0.87149E+00 -0.16768E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.912913393932E+02 0.38101E+00 -0.56600E-01 696 0.406E+00 0.163E+00
DAV: 9 -0.912069632454E+02 0.84376E-01 -0.12795E-01 704 0.154E+00 0.431E-01
DAV: 10 -0.911971353925E+02 0.98279E-02 -0.46813E-02 720 0.110E+00 0.307E-01
DAV: 11 -0.912025988388E+02 -0.54634E-02 -0.16747E-02 616 0.667E-01 0.194E-01
DAV: 12 -0.912047228939E+02 -0.21241E-02 -0.27635E-03 623 0.238E-01 0.130E-01
DAV: 13 -0.912090114205E+02 -0.42885E-02 -0.35854E-03 653 0.315E-01 0.636E-02
DAV: 14 -0.912113310669E+02 -0.23196E-02 -0.53916E-04 664 0.148E-01 0.293E-02
DAV: 15 -0.912139937206E+02 -0.26627E-02 -0.34005E-04 631 0.759E-02 0.235E-02
DAV: 16 -0.912147216625E+02 -0.72794E-03 -0.58908E-05 688 0.454E-02 0.893E-03
DAV: 17 -0.912155809710E+02 -0.85931E-03 -0.12191E-04 625 0.484E-02 0.123E-02
DAV: 18 -0.912156670889E+02 -0.86118E-04 -0.60973E-06 528 0.233E-02 0.802E-03
DAV: 19 -0.912157926145E+02 -0.12553E-03 -0.47859E-05 595 0.371E-02 0.841E-03
DAV: 20 -0.912157973309E+02 -0.47164E-05 -0.31835E-06 536 0.166E-02
1 F= -.91215797E+02 E0= -.91220894E+02 d E =0.152888E-01