iterations/neb0_image06_iter199_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 0.370429081938E+03 0.37043E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.436859099590E+01 -0.36606E+03 -0.35397E+03 858 0.193E+02
DAV: 3 -0.956065829138E+02 -0.99975E+02 -0.99641E+02 664 0.116E+02
DAV: 4 -0.100380824214E+03 -0.47742E+01 -0.47595E+01 728 0.289E+01
DAV: 5 -0.100479316120E+03 -0.98492E-01 -0.98435E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.919102911547E+02 0.85690E+01 -0.30659E+01 693 0.303E+01 0.118E+01
DAV: 7 -0.910958732063E+02 0.81442E+00 -0.17663E+00 704 0.629E+00 0.480E+00
DAV: 8 -0.907213653755E+02 0.37451E+00 -0.53619E-01 704 0.408E+00 0.167E+00
DAV: 9 -0.906295189619E+02 0.91846E-01 -0.13062E-01 696 0.158E+00 0.422E-01
DAV: 10 -0.906190799523E+02 0.10439E-01 -0.38781E-02 744 0.975E-01 0.288E-01
DAV: 11 -0.906233995635E+02 -0.43196E-02 -0.99676E-03 599 0.518E-01 0.148E-01
DAV: 12 -0.906259994203E+02 -0.25999E-02 -0.22297E-03 626 0.258E-01 0.860E-02
DAV: 13 -0.906302173661E+02 -0.42179E-02 -0.17271E-03 639 0.199E-01 0.645E-02
DAV: 14 -0.906329194372E+02 -0.27021E-02 -0.66564E-04 760 0.195E-01 0.310E-02
DAV: 15 -0.906353876855E+02 -0.24682E-02 -0.41072E-04 626 0.989E-02 0.382E-02
DAV: 16 -0.906366071087E+02 -0.12194E-02 -0.18426E-04 701 0.855E-02 0.178E-02
DAV: 17 -0.906374042222E+02 -0.79711E-03 -0.17284E-04 634 0.658E-02 0.170E-02
DAV: 18 -0.906376642558E+02 -0.26003E-03 -0.29221E-05 525 0.311E-02 0.839E-03
DAV: 19 -0.906377590674E+02 -0.94812E-04 -0.34021E-05 632 0.328E-02 0.641E-03
DAV: 20 -0.906377869576E+02 -0.27890E-04 -0.58365E-06 468 0.203E-02 0.239E-03
DAV: 21 -0.906378014585E+02 -0.14501E-04 -0.36083E-06 429 0.942E-03 0.147E-03
DAV: 22 -0.906378077128E+02 -0.62543E-05 -0.81235E-07 450 0.657E-03
1 F= -.90637808E+02 E0= -.90643006E+02 d E =0.155955E-01