iterations/neb0_image02_iter252_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 0.366300343857E+03 0.36630E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.272040932824E+00 -0.36603E+03 -0.35537E+03 877 0.196E+02
DAV: 3 -0.956359707480E+02 -0.95908E+02 -0.95579E+02 621 0.115E+02
DAV: 4 -0.100252885035E+03 -0.46169E+01 -0.46067E+01 712 0.297E+01
DAV: 5 -0.100345125015E+03 -0.92240E-01 -0.92211E-01 744 0.377E+00 0.222E+01
DAV: 6 -0.916764350102E+02 0.86687E+01 -0.30998E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908542189358E+02 0.82222E+00 -0.18115E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904739523468E+02 0.38027E+00 -0.55385E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903892255252E+02 0.84727E-01 -0.13471E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903847792513E+02 0.44463E-02 -0.48633E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903885682569E+02 -0.37890E-02 -0.77669E-03 624 0.599E-01 0.117E-01
DAV: 12 -0.903916309827E+02 -0.30627E-02 -0.65958E-03 632 0.415E-01 0.136E-01
DAV: 13 -0.903941911516E+02 -0.25602E-02 -0.19620E-03 877 0.336E-01 0.809E-02
DAV: 14 -0.903972589516E+02 -0.30678E-02 -0.13021E-03 612 0.170E-01 0.706E-02
DAV: 15 -0.903990393233E+02 -0.17804E-02 -0.30212E-04 688 0.101E-01 0.535E-02
DAV: 16 -0.904004658035E+02 -0.14265E-02 -0.10099E-03 672 0.187E-01 0.382E-02
DAV: 17 -0.904010600070E+02 -0.59420E-03 -0.12293E-04 672 0.794E-02 0.276E-02
DAV: 18 -0.904013657276E+02 -0.30572E-03 -0.10791E-04 669 0.519E-02 0.811E-03
DAV: 19 -0.904015462566E+02 -0.18053E-03 -0.29207E-05 529 0.268E-02 0.558E-03
DAV: 20 -0.904015792089E+02 -0.32952E-04 -0.34638E-06 504 0.118E-02 0.541E-03
DAV: 21 -0.904016278714E+02 -0.48662E-04 -0.10768E-05 409 0.178E-02 0.364E-03
DAV: 22 -0.904016327581E+02 -0.48867E-05 -0.33463E-06 496 0.110E-02
1 F= -.90401633E+02 E0= -.90408295E+02 d E =0.199852E-01