./iterations/neb0_image07_iter114_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 0.377590875396E+03 0.37759E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.418879357687E+01 -0.37340E+03 -0.35992E+03 869 0.196E+02
DAV: 3 -0.963926664767E+02 -0.10058E+03 -0.10025E+03 664 0.117E+02
DAV: 4 -0.101038259838E+03 -0.46456E+01 -0.46336E+01 704 0.288E+01
DAV: 5 -0.101130834192E+03 -0.92574E-01 -0.92535E-01 728 0.365E+00 0.228E+01
DAV: 6 -0.924695921799E+02 0.86612E+01 -0.30723E+01 693 0.303E+01 0.119E+01
DAV: 7 -0.915948105405E+02 0.87478E+00 -0.16761E+00 736 0.613E+00 0.481E+00
DAV: 8 -0.912139927447E+02 0.38082E+00 -0.55025E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.911304550257E+02 0.83538E-01 -0.13263E-01 720 0.155E+00 0.424E-01
DAV: 10 -0.911212831659E+02 0.91719E-02 -0.48115E-02 733 0.113E+00 0.312E-01
DAV: 11 -0.911259001789E+02 -0.46170E-02 -0.13458E-02 616 0.609E-01 0.143E-01
DAV: 12 -0.911289851410E+02 -0.30850E-02 -0.34733E-03 633 0.267E-01 0.146E-01
DAV: 13 -0.911328662662E+02 -0.38811E-02 -0.30270E-03 725 0.333E-01 0.586E-02
DAV: 14 -0.911353548211E+02 -0.24886E-02 -0.54637E-04 650 0.111E-01 0.590E-02
DAV: 15 -0.911379275212E+02 -0.25727E-02 -0.33971E-04 629 0.913E-02 0.324E-02
DAV: 16 -0.911388901143E+02 -0.96259E-03 -0.40467E-04 688 0.996E-02 0.325E-02
DAV: 17 -0.911393310815E+02 -0.44097E-03 -0.12857E-04 640 0.716E-02 0.102E-02
DAV: 18 -0.911395084557E+02 -0.17737E-03 -0.26057E-05 600 0.270E-02 0.756E-03
DAV: 19 -0.911395671597E+02 -0.58704E-04 -0.93942E-06 480 0.186E-02 0.235E-03
DAV: 20 -0.911396177487E+02 -0.50589E-04 -0.52337E-06 404 0.931E-03 0.171E-03
DAV: 21 -0.911396297317E+02 -0.11983E-04 -0.13985E-06 485 0.470E-03 0.146E-03
DAV: 22 -0.911396355636E+02 -0.58320E-05 -0.12328E-06 394 0.608E-03
1 F= -.91139636E+02 E0= -.91144801E+02 d E =0.154976E-01