./iterations/neb0_image03_iter274_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 0.364124354460E+03 0.36412E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.855631997607E+00 -0.36327E+03 -0.35121E+03 853 0.195E+02
DAV: 3 -0.961342038106E+02 -0.96990E+02 -0.96690E+02 669 0.116E+02
DAV: 4 -0.100367148845E+03 -0.42329E+01 -0.42231E+01 712 0.277E+01
DAV: 5 -0.100448580662E+03 -0.81432E-01 -0.81409E-01 736 0.346E+00 0.224E+01
DAV: 6 -0.917240404419E+02 0.87245E+01 -0.31382E+01 672 0.300E+01 0.118E+01
DAV: 7 -0.908749372158E+02 0.84910E+00 -0.18072E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904832500202E+02 0.39169E+00 -0.55519E-01 696 0.428E+00 0.171E+00
DAV: 9 -0.903928301487E+02 0.90420E-01 -0.13845E-01 704 0.169E+00 0.441E-01
DAV: 10 -0.903868375378E+02 0.59926E-02 -0.46300E-02 720 0.124E+00 0.333E-01
DAV: 11 -0.903904680453E+02 -0.36305E-02 -0.64063E-03 632 0.574E-01 0.132E-01
DAV: 12 -0.903940918212E+02 -0.36238E-02 -0.61579E-03 613 0.384E-01 0.119E-01
DAV: 13 -0.903981826104E+02 -0.40908E-02 -0.12930E-03 834 0.262E-01 0.807E-02
DAV: 14 -0.904015058981E+02 -0.33233E-02 -0.12180E-03 645 0.153E-01 0.516E-02
DAV: 15 -0.904037552036E+02 -0.22493E-02 -0.34263E-04 664 0.996E-02 0.294E-02
DAV: 16 -0.904050973243E+02 -0.13421E-02 -0.35889E-04 661 0.102E-01 0.264E-02
DAV: 17 -0.904057080410E+02 -0.61072E-03 -0.11160E-04 765 0.684E-02 0.120E-02
DAV: 18 -0.904059688709E+02 -0.26083E-03 -0.53758E-05 680 0.384E-02 0.108E-02
DAV: 19 -0.904060986569E+02 -0.12979E-03 -0.12622E-05 458 0.244E-02 0.573E-03
DAV: 20 -0.904061785176E+02 -0.79861E-04 -0.31294E-05 576 0.299E-02 0.726E-03
DAV: 21 -0.904062131213E+02 -0.34604E-04 -0.79892E-06 477 0.251E-02 0.218E-03
DAV: 22 -0.904062213809E+02 -0.82596E-05 -0.69227E-06 504 0.135E-02
1 F= -.90406221E+02 E0= -.90414336E+02 d E =0.243453E-01