./iterations/neb0_image01_iter150_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 0.365640792331E+03 0.36564E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.321641496572E+01 -0.36242E+03 -0.34957E+03 836 0.196E+02
DAV: 3 -0.955110984428E+02 -0.98728E+02 -0.98378E+02 658 0.116E+02
DAV: 4 -0.100201019090E+03 -0.46899E+01 -0.46787E+01 696 0.291E+01
DAV: 5 -0.100295114293E+03 -0.94095E-01 -0.94046E-01 736 0.369E+00 0.222E+01
DAV: 6 -0.916747234275E+02 0.86204E+01 -0.30990E+01 696 0.299E+01 0.116E+01
DAV: 7 -0.908749896128E+02 0.79973E+00 -0.18305E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905004023980E+02 0.37459E+00 -0.55343E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904188417974E+02 0.81561E-01 -0.13059E-01 720 0.169E+00 0.423E-01
DAV: 10 -0.904143427044E+02 0.44991E-02 -0.47729E-02 712 0.124E+00 0.326E-01
DAV: 11 -0.904185593248E+02 -0.42166E-02 -0.86842E-03 608 0.623E-01 0.116E-01
DAV: 12 -0.904216939110E+02 -0.31346E-02 -0.61388E-03 632 0.414E-01 0.129E-01
DAV: 13 -0.904242847318E+02 -0.25908E-02 -0.14332E-03 845 0.296E-01 0.791E-02
DAV: 14 -0.904275885328E+02 -0.33038E-02 -0.17252E-03 650 0.219E-01 0.764E-02
DAV: 15 -0.904290170086E+02 -0.14285E-02 -0.29224E-04 808 0.124E-01 0.555E-02
DAV: 16 -0.904303402964E+02 -0.13233E-02 -0.10855E-03 661 0.203E-01 0.382E-02
DAV: 17 -0.904311949201E+02 -0.85462E-03 -0.16374E-04 730 0.842E-02 0.314E-02
DAV: 18 -0.904314290083E+02 -0.23409E-03 -0.36847E-05 696 0.314E-02 0.228E-02
DAV: 19 -0.904317178264E+02 -0.28882E-03 -0.10217E-04 635 0.610E-02 0.759E-03
DAV: 20 -0.904317489407E+02 -0.31114E-04 -0.17203E-05 528 0.270E-02 0.704E-03
DAV: 21 -0.904317956271E+02 -0.46686E-04 -0.13042E-05 407 0.220E-02 0.805E-03
DAV: 22 -0.904318158151E+02 -0.20188E-04 -0.39806E-06 474 0.150E-02 0.558E-03
DAV: 23 -0.904318225945E+02 -0.67793E-05 -0.87184E-06 464 0.183E-02
1 F= -.90431823E+02 E0= -.90438346E+02 d E =0.195709E-01