iterations/neb0_image05_iter191_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 0.367964180256E+03 0.36796E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.318845025119E+01 -0.36478E+03 -0.35191E+03 864 0.195E+02
DAV: 3 -0.953971335033E+02 -0.98586E+02 -0.98255E+02 677 0.116E+02
DAV: 4 -0.999314837746E+02 -0.45344E+01 -0.45232E+01 696 0.280E+01
DAV: 5 -0.100024492388E+03 -0.93009E-01 -0.92959E-01 720 0.353E+00 0.221E+01
DAV: 6 -0.915275954570E+02 0.84969E+01 -0.30865E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907572643847E+02 0.77033E+00 -0.18490E+00 720 0.640E+00 0.482E+00
DAV: 8 -0.903876498443E+02 0.36961E+00 -0.52304E-01 720 0.421E+00 0.171E+00
DAV: 9 -0.902989768510E+02 0.88673E-01 -0.14022E-01 720 0.171E+00 0.433E-01
DAV: 10 -0.902916738097E+02 0.73030E-02 -0.41878E-02 784 0.121E+00 0.308E-01
DAV: 11 -0.902950465447E+02 -0.33727E-02 -0.71537E-03 608 0.509E-01 0.151E-01
DAV: 12 -0.902974100287E+02 -0.23635E-02 -0.50675E-03 626 0.451E-01 0.105E-01
DAV: 13 -0.903006796308E+02 -0.32696E-02 -0.11418E-03 672 0.217E-01 0.879E-02
DAV: 14 -0.903037569971E+02 -0.30774E-02 -0.15941E-03 652 0.202E-01 0.511E-02
DAV: 15 -0.903065462334E+02 -0.27892E-02 -0.63096E-04 704 0.170E-01 0.389E-02
DAV: 16 -0.903078753611E+02 -0.13291E-02 -0.45278E-04 680 0.107E-01 0.324E-02
DAV: 17 -0.903086204506E+02 -0.74509E-03 -0.18936E-04 733 0.991E-02 0.159E-02
DAV: 18 -0.903088719859E+02 -0.25154E-03 -0.76452E-05 688 0.453E-02 0.152E-02
DAV: 19 -0.903090530658E+02 -0.18108E-03 -0.27498E-05 506 0.304E-02 0.700E-03
DAV: 20 -0.903091422393E+02 -0.89173E-04 -0.14783E-05 488 0.235E-02 0.390E-03
DAV: 21 -0.903091742902E+02 -0.32051E-04 -0.10443E-05 432 0.168E-02 0.427E-03
DAV: 22 -0.903091791305E+02 -0.48403E-05 -0.15906E-06 528 0.847E-03
1 F= -.90309179E+02 E0= -.90316219E+02 d E =0.211189E-01