./iterations/neb0_image04_iter71_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 0.370605751676E+03 0.37061E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.459371559018E+01 -0.36601E+03 -0.35333E+03 853 0.195E+02
DAV: 3 -0.952528577476E+02 -0.99847E+02 -0.99530E+02 674 0.117E+02
DAV: 4 -0.997244767219E+02 -0.44716E+01 -0.44598E+01 712 0.283E+01
DAV: 5 -0.998113334382E+02 -0.86857E-01 -0.86816E-01 728 0.356E+00 0.222E+01
DAV: 6 -0.913459329146E+02 0.84654E+01 -0.29961E+01 671 0.294E+01 0.115E+01
DAV: 7 -0.904951039968E+02 0.85083E+00 -0.17233E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900942247177E+02 0.40088E+00 -0.56767E-01 712 0.431E+00 0.164E+00
DAV: 9 -0.900007066941E+02 0.93518E-01 -0.13357E-01 712 0.173E+00 0.437E-01
DAV: 10 -0.899910643990E+02 0.96423E-02 -0.56828E-02 720 0.134E+00 0.348E-01
DAV: 11 -0.899950116232E+02 -0.39472E-02 -0.12937E-02 629 0.641E-01 0.136E-01
DAV: 12 -0.899972634953E+02 -0.22519E-02 -0.41168E-03 644 0.286E-01 0.129E-01
DAV: 13 -0.900010786457E+02 -0.38152E-02 -0.19319E-03 837 0.345E-01 0.690E-02
DAV: 14 -0.900043468472E+02 -0.32682E-02 -0.10772E-03 650 0.156E-01 0.560E-02
DAV: 15 -0.900069563217E+02 -0.26095E-02 -0.38942E-04 725 0.112E-01 0.346E-02
DAV: 16 -0.900083389594E+02 -0.13826E-02 -0.42818E-04 685 0.108E-01 0.299E-02
DAV: 17 -0.900092242757E+02 -0.88532E-03 -0.17692E-04 820 0.844E-02 0.129E-02
DAV: 18 -0.900094842520E+02 -0.25998E-03 -0.35694E-05 616 0.311E-02 0.686E-03
DAV: 19 -0.900096282197E+02 -0.14397E-03 -0.24193E-05 494 0.213E-02 0.483E-03
DAV: 20 -0.900096655051E+02 -0.37285E-04 -0.30651E-06 488 0.948E-03 0.329E-03
DAV: 21 -0.900096855190E+02 -0.20014E-04 -0.38008E-06 401 0.846E-03 0.998E-04
DAV: 22 -0.900096887994E+02 -0.32805E-05 -0.10172E-06 496 0.516E-03
1 F= -.90009689E+02 E0= -.90014100E+02 d E =0.132340E-01