./iterations/neb0_image09_iter173_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 0.373984780314E+03 0.37398E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.325627396781E+01 -0.37073E+03 -0.35798E+03 869 0.196E+02
DAV: 3 -0.964988497659E+02 -0.99755E+02 -0.99423E+02 645 0.117E+02
DAV: 4 -0.101224929603E+03 -0.47261E+01 -0.47151E+01 720 0.295E+01
DAV: 5 -0.101319303681E+03 -0.94374E-01 -0.94333E-01 736 0.377E+00 0.227E+01
DAV: 6 -0.926693920066E+02 0.86499E+01 -0.30900E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918064508685E+02 0.86294E+00 -0.17149E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914318958354E+02 0.37456E+00 -0.54375E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913504426248E+02 0.81453E-01 -0.13121E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913421338727E+02 0.83088E-02 -0.43445E-02 776 0.108E+00 0.298E-01
DAV: 11 -0.913464698913E+02 -0.43360E-02 -0.11525E-02 616 0.559E-01 0.133E-01
DAV: 12 -0.913496299163E+02 -0.31600E-02 -0.27755E-03 634 0.248E-01 0.101E-01
DAV: 13 -0.913531666484E+02 -0.35367E-02 -0.11021E-03 661 0.175E-01 0.473E-02
DAV: 14 -0.913568159506E+02 -0.36493E-02 -0.90334E-04 664 0.181E-01 0.388E-02
DAV: 15 -0.913577667282E+02 -0.95078E-03 -0.14444E-04 704 0.879E-02 0.353E-02
DAV: 16 -0.913591060293E+02 -0.13393E-02 -0.35723E-04 631 0.103E-01 0.189E-02
DAV: 17 -0.913596276262E+02 -0.52160E-03 -0.73743E-05 680 0.585E-02 0.137E-02
DAV: 18 -0.913598703268E+02 -0.24270E-03 -0.50896E-05 648 0.369E-02 0.998E-03
DAV: 19 -0.913599675592E+02 -0.97232E-04 -0.96610E-06 480 0.161E-02 0.536E-03
DAV: 20 -0.913600152004E+02 -0.47641E-04 -0.79763E-06 432 0.143E-02 0.242E-03
DAV: 21 -0.913600363548E+02 -0.21154E-04 -0.48161E-06 453 0.113E-02 0.195E-03
DAV: 22 -0.913600390920E+02 -0.27372E-05 -0.87069E-07 504 0.455E-03
1 F= -.91360039E+02 E0= -.91364927E+02 d E =0.146635E-01