iterations/neb0_image03_iter146_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 0.365739579921E+03 0.36574E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.132620086889E+01 -0.36441E+03 -0.35287E+03 861 0.195E+02
DAV: 3 -0.960560707674E+02 -0.97382E+02 -0.97074E+02 680 0.116E+02
DAV: 4 -0.100237394794E+03 -0.41813E+01 -0.41715E+01 704 0.275E+01
DAV: 5 -0.100317557326E+03 -0.80163E-01 -0.80134E-01 736 0.344E+00 0.223E+01
DAV: 6 -0.916993867397E+02 0.86182E+01 -0.30794E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908485276165E+02 0.85086E+00 -0.18046E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904469678620E+02 0.40156E+00 -0.56357E-01 704 0.431E+00 0.166E+00
DAV: 9 -0.903510769613E+02 0.95891E-01 -0.13320E-01 704 0.178E+00 0.438E-01
DAV: 10 -0.903429989298E+02 0.80780E-02 -0.49471E-02 712 0.118E+00 0.342E-01
DAV: 11 -0.903474065483E+02 -0.44076E-02 -0.99643E-03 608 0.688E-01 0.127E-01
DAV: 12 -0.903493556201E+02 -0.19491E-02 -0.47069E-03 637 0.323E-01 0.119E-01
DAV: 13 -0.903538486399E+02 -0.44930E-02 -0.20308E-03 752 0.313E-01 0.801E-02
DAV: 14 -0.903571778737E+02 -0.33292E-02 -0.87375E-04 671 0.143E-01 0.535E-02
DAV: 15 -0.903594135455E+02 -0.22357E-02 -0.38398E-04 658 0.120E-01 0.225E-02
DAV: 16 -0.903613283650E+02 -0.19148E-02 -0.29764E-04 669 0.870E-02 0.233E-02
DAV: 17 -0.903619916034E+02 -0.66324E-03 -0.82531E-05 744 0.652E-02 0.138E-02
DAV: 18 -0.903622851394E+02 -0.29354E-03 -0.60498E-05 655 0.389E-02 0.106E-02
DAV: 19 -0.903624052785E+02 -0.12014E-03 -0.16394E-05 544 0.333E-02 0.439E-03
DAV: 20 -0.903625187075E+02 -0.11343E-03 -0.15589E-05 422 0.188E-02 0.375E-03
DAV: 21 -0.903625496984E+02 -0.30991E-04 -0.35502E-06 496 0.871E-03 0.231E-03
DAV: 22 -0.903625736485E+02 -0.23950E-04 -0.65394E-06 408 0.159E-02 0.315E-03
DAV: 23 -0.903625763826E+02 -0.27341E-05 -0.12205E-06 528 0.723E-03
1 F= -.90362576E+02 E0= -.90371225E+02 d E =0.259456E-01