iterations/neb0_image03_iter119_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 0.366443924620E+03 0.36644E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.269277637348E+01 -0.36375E+03 -0.35255E+03 853 0.195E+02
DAV: 3 -0.957013215526E+02 -0.98394E+02 -0.98085E+02 669 0.116E+02
DAV: 4 -0.100174240949E+03 -0.44729E+01 -0.44633E+01 712 0.281E+01
DAV: 5 -0.100263855311E+03 -0.89614E-01 -0.89579E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916813232979E+02 0.85825E+01 -0.30672E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908413685824E+02 0.83995E+00 -0.18223E+00 712 0.641E+00 0.482E+00
DAV: 8 -0.904400255458E+02 0.40134E+00 -0.56217E-01 704 0.434E+00 0.167E+00
DAV: 9 -0.903447520297E+02 0.95274E-01 -0.12840E-01 704 0.188E+00 0.461E-01
DAV: 10 -0.903361359054E+02 0.86161E-02 -0.37840E-02 704 0.971E-01 0.338E-01
DAV: 11 -0.903385904533E+02 -0.24545E-02 -0.82108E-03 781 0.657E-01 0.165E-01
DAV: 12 -0.903404303766E+02 -0.18399E-02 -0.35309E-03 645 0.384E-01 0.117E-01
DAV: 13 -0.903450663689E+02 -0.46360E-02 -0.33586E-03 632 0.311E-01 0.859E-02
DAV: 14 -0.903495558777E+02 -0.44895E-02 -0.10176E-03 647 0.168E-01 0.461E-02
DAV: 15 -0.903514513851E+02 -0.18955E-02 -0.34255E-04 744 0.107E-01 0.232E-02
DAV: 16 -0.903531242191E+02 -0.16728E-02 -0.13303E-04 669 0.555E-02 0.134E-02
DAV: 17 -0.903542295296E+02 -0.11053E-02 -0.11164E-04 616 0.413E-02 0.662E-03
DAV: 18 -0.903545285003E+02 -0.29897E-03 -0.29241E-05 608 0.203E-02 0.470E-03
DAV: 19 -0.903546481086E+02 -0.11961E-03 -0.94801E-06 434 0.191E-02 0.269E-03
DAV: 20 -0.903546975222E+02 -0.49414E-04 -0.78039E-06 464 0.112E-02 0.289E-03
DAV: 21 -0.903547097297E+02 -0.12208E-04 -0.24635E-06 504 0.112E-02 0.157E-03
DAV: 22 -0.903547170171E+02 -0.72873E-05 -0.19153E-06 423 0.756E-03
1 F= -.90354717E+02 E0= -.90363407E+02 d E =0.260709E-01