iterations/neb0_image02_iter34_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 0.368046123911E+03 0.36805E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.427197457266E+01 -0.36377E+03 -0.34902E+03 842 0.195E+02
DAV: 3 -0.953433048180E+02 -0.99615E+02 -0.99270E+02 664 0.116E+02
DAV: 4 -0.100091785036E+03 -0.47485E+01 -0.47367E+01 720 0.290E+01
DAV: 5 -0.100185734811E+03 -0.93950E-01 -0.93910E-01 736 0.364E+00 0.223E+01
DAV: 6 -0.915835783650E+02 0.86022E+01 -0.30583E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.907421908938E+02 0.84139E+00 -0.18166E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.903526713916E+02 0.38952E+00 -0.57480E-01 688 0.433E+00 0.168E+00
DAV: 9 -0.902629453880E+02 0.89726E-01 -0.14099E-01 696 0.166E+00 0.436E-01
DAV: 10 -0.902560990854E+02 0.68463E-02 -0.39646E-02 728 0.120E+00 0.304E-01
DAV: 11 -0.902598747934E+02 -0.37757E-02 -0.68309E-03 616 0.455E-01 0.154E-01
DAV: 12 -0.902630118605E+02 -0.31371E-02 -0.56575E-03 616 0.450E-01 0.114E-01
DAV: 13 -0.902661359713E+02 -0.31241E-02 -0.85840E-04 701 0.255E-01 0.780E-02
DAV: 14 -0.902693542209E+02 -0.32182E-02 -0.18118E-03 637 0.217E-01 0.574E-02
DAV: 15 -0.902716604225E+02 -0.23062E-02 -0.56412E-04 880 0.183E-01 0.276E-02
DAV: 16 -0.902729389469E+02 -0.12785E-02 -0.25140E-04 664 0.765E-02 0.304E-02
DAV: 17 -0.902738261725E+02 -0.88723E-03 -0.12089E-04 650 0.621E-02 0.186E-02
DAV: 18 -0.902741806701E+02 -0.35450E-03 -0.21463E-04 664 0.909E-02 0.205E-02
DAV: 19 -0.902742875427E+02 -0.10687E-03 -0.28721E-05 642 0.395E-02 0.143E-02
DAV: 20 -0.902743201598E+02 -0.32617E-04 -0.10542E-05 504 0.176E-02 0.893E-03
DAV: 21 -0.902743765795E+02 -0.56420E-04 -0.20089E-05 481 0.269E-02 0.203E-03
DAV: 22 -0.902743850102E+02 -0.84307E-05 -0.60073E-06 504 0.135E-02
1 F= -.90274385E+02 E0= -.90280045E+02 d E =0.169812E-01