iterations/neb0_image09_iter76_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 0.374898533153E+03 0.37490E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.257538635966E+01 -0.37232E+03 -0.35995E+03 877 0.196E+02
DAV: 3 -0.967640480547E+02 -0.99339E+02 -0.99001E+02 664 0.117E+02
DAV: 4 -0.101248584550E+03 -0.44845E+01 -0.44753E+01 704 0.285E+01
DAV: 5 -0.101337159848E+03 -0.88575E-01 -0.88538E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926695949107E+02 0.86676E+01 -0.30868E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918000466404E+02 0.86955E+00 -0.17272E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914224189301E+02 0.37763E+00 -0.54434E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913396492195E+02 0.82770E-01 -0.13122E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913307121893E+02 0.89370E-02 -0.46250E-02 768 0.113E+00 0.305E-01
DAV: 11 -0.913353424732E+02 -0.46303E-02 -0.13676E-02 605 0.610E-01 0.150E-01
DAV: 12 -0.913382174458E+02 -0.28750E-02 -0.29845E-03 636 0.245E-01 0.116E-01
DAV: 13 -0.913420065397E+02 -0.37891E-02 -0.17455E-03 720 0.227E-01 0.439E-02
DAV: 14 -0.913454923503E+02 -0.34858E-02 -0.60251E-04 661 0.141E-01 0.322E-02
DAV: 15 -0.913469036386E+02 -0.14113E-02 -0.14797E-04 680 0.739E-02 0.350E-02
DAV: 16 -0.913481867657E+02 -0.12831E-02 -0.34203E-04 647 0.988E-02 0.200E-02
DAV: 17 -0.913484925004E+02 -0.30573E-03 -0.46054E-05 688 0.530E-02 0.133E-02
DAV: 18 -0.913487185531E+02 -0.22605E-03 -0.48560E-05 637 0.356E-02 0.127E-02
DAV: 19 -0.913488440488E+02 -0.12550E-03 -0.14197E-05 472 0.210E-02 0.526E-03
DAV: 20 -0.913488836231E+02 -0.39574E-04 -0.10377E-05 456 0.167E-02 0.177E-03
DAV: 21 -0.913489116086E+02 -0.27986E-04 -0.42117E-06 411 0.849E-03 0.185E-03
DAV: 22 -0.913489150575E+02 -0.34489E-05 -0.80215E-07 496 0.387E-03
1 F= -.91348915E+02 E0= -.91353833E+02 d E =0.147553E-01