iterations/neb0_image03_iter155_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 0.364713289904E+03 0.36471E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.441765375123E+00 -0.36427E+03 -0.35392E+03 869 0.195E+02
DAV: 3 -0.960744153149E+02 -0.96516E+02 -0.96213E+02 680 0.115E+02
DAV: 4 -0.100185550989E+03 -0.41111E+01 -0.41016E+01 712 0.271E+01
DAV: 5 -0.100265741174E+03 -0.80190E-01 -0.80157E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916804301669E+02 0.85853E+01 -0.30714E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908442879313E+02 0.83614E+00 -0.18117E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904479182944E+02 0.39637E+00 -0.54179E-01 704 0.423E+00 0.167E+00
DAV: 9 -0.903519875266E+02 0.95931E-01 -0.13610E-01 696 0.184E+00 0.433E-01
DAV: 10 -0.903443315023E+02 0.76560E-02 -0.45638E-02 704 0.112E+00 0.338E-01
DAV: 11 -0.903503828747E+02 -0.60514E-02 -0.19073E-02 605 0.888E-01 0.221E-01
DAV: 12 -0.903505348704E+02 -0.15200E-03 -0.48089E-03 664 0.415E-01 0.157E-01
DAV: 13 -0.903544062500E+02 -0.38714E-02 -0.70755E-03 621 0.531E-01 0.107E-01
DAV: 14 -0.903573131898E+02 -0.29069E-02 -0.10621E-03 677 0.198E-01 0.803E-02
DAV: 15 -0.903600008329E+02 -0.26876E-02 -0.92083E-04 666 0.175E-01 0.307E-02
DAV: 16 -0.903617515373E+02 -0.17507E-02 -0.40516E-04 696 0.108E-01 0.320E-02
DAV: 17 -0.903627878905E+02 -0.10364E-02 -0.11388E-04 695 0.786E-02 0.254E-02
DAV: 18 -0.903632052110E+02 -0.41732E-03 -0.11167E-04 680 0.715E-02 0.138E-02
DAV: 19 -0.903633842818E+02 -0.17907E-03 -0.53784E-05 672 0.610E-02 0.829E-03
DAV: 20 -0.903634635212E+02 -0.79239E-04 -0.18045E-05 525 0.411E-02 0.709E-03
DAV: 21 -0.903635204870E+02 -0.56966E-04 -0.31590E-05 619 0.533E-02 0.123E-02
DAV: 22 -0.903635210595E+02 -0.57252E-06 -0.30406E-05 688 0.507E-02
1 F= -.90363521E+02 E0= -.90370190E+02 d E =0.200063E-01