iterations/neb0_image09_iter79_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 0.374741506317E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.255422785612E+01 -0.37219E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.966838480335E+02 -0.99238E+02 -0.98899E+02 656 0.117E+02
DAV: 4 -0.101223907564E+03 -0.45401E+01 -0.45308E+01 696 0.289E+01
DAV: 5 -0.101313814611E+03 -0.89907E-01 -0.89868E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926637586037E+02 0.86501E+01 -0.30853E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917997957526E+02 0.86396E+00 -0.17192E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914231242066E+02 0.37667E+00 -0.54441E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913401891511E+02 0.82935E-01 -0.13098E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913312075686E+02 0.89816E-02 -0.45740E-02 760 0.112E+00 0.304E-01
DAV: 11 -0.913357854547E+02 -0.45779E-02 -0.13359E-02 608 0.599E-01 0.149E-01
DAV: 12 -0.913387235283E+02 -0.29381E-02 -0.30494E-03 628 0.246E-01 0.113E-01
DAV: 13 -0.913425248687E+02 -0.38013E-02 -0.15448E-03 720 0.217E-01 0.439E-02
DAV: 14 -0.913460155805E+02 -0.34907E-02 -0.62608E-04 669 0.139E-01 0.341E-02
DAV: 15 -0.913473951330E+02 -0.13796E-02 -0.13134E-04 720 0.709E-02 0.352E-02
DAV: 16 -0.913487341638E+02 -0.13390E-02 -0.37645E-04 644 0.101E-01 0.218E-02
DAV: 17 -0.913489966332E+02 -0.26247E-03 -0.59208E-05 720 0.597E-02 0.129E-02
DAV: 18 -0.913492391146E+02 -0.24248E-03 -0.48169E-05 623 0.332E-02 0.115E-02
DAV: 19 -0.913493393947E+02 -0.10028E-03 -0.10189E-05 480 0.177E-02 0.558E-03
DAV: 20 -0.913493779584E+02 -0.38564E-04 -0.13795E-05 464 0.218E-02 0.301E-03
DAV: 21 -0.913493985286E+02 -0.20570E-04 -0.33869E-06 436 0.930E-03 0.245E-03
DAV: 22 -0.913494013965E+02 -0.28679E-05 -0.97026E-07 496 0.547E-03
1 F= -.91349401E+02 E0= -.91354180E+02 d E =0.143348E-01