iterations/neb0_image02_iter266_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 0.366041152989E+03 0.36604E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.714327111836E+00 -0.36533E+03 -0.35459E+03 869 0.196E+02
DAV: 3 -0.955975104545E+02 -0.96312E+02 -0.95980E+02 624 0.116E+02
DAV: 4 -0.100255185410E+03 -0.46577E+01 -0.46477E+01 720 0.299E+01
DAV: 5 -0.100348107064E+03 -0.92922E-01 -0.92892E-01 736 0.378E+00 0.222E+01
DAV: 6 -0.916810895990E+02 0.86670E+01 -0.30935E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908556309733E+02 0.82546E+00 -0.18095E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904751003104E+02 0.38053E+00 -0.55856E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903913606026E+02 0.83740E-01 -0.13379E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.903870830194E+02 0.42776E-02 -0.48403E-02 712 0.125E+00 0.327E-01
DAV: 11 -0.903908278886E+02 -0.37449E-02 -0.75155E-03 621 0.580E-01 0.120E-01
DAV: 12 -0.903940432482E+02 -0.32154E-02 -0.69437E-03 632 0.437E-01 0.138E-01
DAV: 13 -0.903964822527E+02 -0.24390E-02 -0.20388E-03 877 0.343E-01 0.795E-02
DAV: 14 -0.903995549621E+02 -0.30727E-02 -0.13404E-03 615 0.177E-01 0.712E-02
DAV: 15 -0.904012703715E+02 -0.17154E-02 -0.28922E-04 688 0.989E-02 0.560E-02
DAV: 16 -0.904027008322E+02 -0.14305E-02 -0.10335E-03 672 0.193E-01 0.366E-02
DAV: 17 -0.904033077901E+02 -0.60696E-03 -0.11405E-04 672 0.728E-02 0.310E-02
DAV: 18 -0.904036516275E+02 -0.34384E-03 -0.11555E-04 661 0.557E-02 0.104E-02
DAV: 19 -0.904038195395E+02 -0.16791E-03 -0.43171E-05 647 0.332E-02 0.821E-03
DAV: 20 -0.904038508231E+02 -0.31284E-04 -0.28858E-06 504 0.117E-02 0.700E-03
DAV: 21 -0.904038953936E+02 -0.44571E-04 -0.11315E-05 420 0.198E-02 0.332E-03
DAV: 22 -0.904039003748E+02 -0.49811E-05 -0.50042E-06 504 0.129E-02
1 F= -.90403900E+02 E0= -.90410043E+02 d E =0.184276E-01