iterations/neb0_image02_iter251_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 0.366315505911E+03 0.36632E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.277113389510E+00 -0.36604E+03 -0.35539E+03 877 0.196E+02
DAV: 3 -0.956325928607E+02 -0.95910E+02 -0.95581E+02 621 0.115E+02
DAV: 4 -0.100251391489E+03 -0.46188E+01 -0.46085E+01 712 0.297E+01
DAV: 5 -0.100343677716E+03 -0.92286E-01 -0.92257E-01 744 0.377E+00 0.222E+01
DAV: 6 -0.916769709819E+02 0.86667E+01 -0.30990E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908544006360E+02 0.82257E+00 -0.18120E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904740450083E+02 0.38036E+00 -0.55440E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903893045293E+02 0.84740E-01 -0.13477E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903848298109E+02 0.44747E-02 -0.48570E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903885900872E+02 -0.37603E-02 -0.76984E-03 624 0.594E-01 0.118E-01
DAV: 12 -0.903916653418E+02 -0.30753E-02 -0.66370E-03 632 0.418E-01 0.136E-01
DAV: 13 -0.903942259278E+02 -0.25606E-02 -0.19624E-03 877 0.337E-01 0.807E-02
DAV: 14 -0.903972909770E+02 -0.30650E-02 -0.12990E-03 612 0.170E-01 0.704E-02
DAV: 15 -0.903990657457E+02 -0.17748E-02 -0.30214E-04 688 0.102E-01 0.532E-02
DAV: 16 -0.904005087892E+02 -0.14430E-02 -0.10113E-03 672 0.187E-01 0.385E-02
DAV: 17 -0.904010996149E+02 -0.59083E-03 -0.12226E-04 672 0.793E-02 0.279E-02
DAV: 18 -0.904014123590E+02 -0.31274E-03 -0.11152E-04 669 0.529E-02 0.811E-03
DAV: 19 -0.904015880355E+02 -0.17568E-03 -0.28436E-05 513 0.267E-02 0.564E-03
DAV: 20 -0.904016226567E+02 -0.34621E-04 -0.38860E-06 504 0.120E-02 0.566E-03
DAV: 21 -0.904016701106E+02 -0.47454E-04 -0.10405E-05 412 0.180E-02 0.348E-03
DAV: 22 -0.904016749019E+02 -0.47913E-05 -0.36405E-06 496 0.113E-02
1 F= -.90401675E+02 E0= -.90408276E+02 d E =0.198020E-01