./iterations/neb0_image02_iter279_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 0.365192466574E+03 0.36519E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.237013461559E+01 -0.36282E+03 -0.35057E+03 853 0.195E+02
DAV: 3 -0.955129120047E+02 -0.97883E+02 -0.97541E+02 648 0.116E+02
DAV: 4 -0.100202344960E+03 -0.46894E+01 -0.46783E+01 712 0.293E+01
DAV: 5 -0.100295762145E+03 -0.93417E-01 -0.93383E-01 720 0.370E+00 0.222E+01
DAV: 6 -0.916613245865E+02 0.86344E+01 -0.30942E+01 685 0.300E+01 0.117E+01
DAV: 7 -0.908466087267E+02 0.81472E+00 -0.17991E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904682806421E+02 0.37833E+00 -0.55456E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903847563226E+02 0.83524E-01 -0.13387E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903806380225E+02 0.41183E-02 -0.48393E-02 712 0.127E+00 0.326E-01
DAV: 11 -0.903842889611E+02 -0.36509E-02 -0.74227E-03 621 0.557E-01 0.125E-01
DAV: 12 -0.903876781524E+02 -0.33892E-02 -0.74637E-03 640 0.469E-01 0.141E-01
DAV: 13 -0.903899249204E+02 -0.22468E-02 -0.21304E-03 872 0.351E-01 0.789E-02
DAV: 14 -0.903929957273E+02 -0.30708E-02 -0.14200E-03 615 0.188E-01 0.716E-02
DAV: 15 -0.903946693160E+02 -0.16736E-02 -0.31825E-04 680 0.101E-01 0.605E-02
DAV: 16 -0.903959698380E+02 -0.13005E-02 -0.98127E-04 672 0.193E-01 0.304E-02
DAV: 17 -0.903967212505E+02 -0.75141E-03 -0.13153E-04 672 0.653E-02 0.344E-02
DAV: 18 -0.903970537915E+02 -0.33254E-03 -0.61760E-05 672 0.407E-02 0.218E-02
DAV: 19 -0.903972149430E+02 -0.16115E-03 -0.11663E-04 653 0.617E-02 0.997E-03
DAV: 20 -0.903972478401E+02 -0.32897E-04 -0.87263E-06 496 0.199E-02 0.867E-03
DAV: 21 -0.903972853160E+02 -0.37476E-04 -0.93982E-06 412 0.167E-02 0.429E-03
DAV: 22 -0.903972946149E+02 -0.92990E-05 -0.45950E-06 488 0.131E-02
1 F= -.90397295E+02 E0= -.90402860E+02 d E =0.166953E-01