iterations/neb0_image09_iter193_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 0.374258157716E+03 0.37426E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326485818846E+01 -0.37099E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.966453277515E+02 -0.99910E+02 -0.99579E+02 653 0.117E+02
DAV: 4 -0.101260554967E+03 -0.46152E+01 -0.46045E+01 720 0.291E+01
DAV: 5 -0.101351547323E+03 -0.90992E-01 -0.90952E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926777003231E+02 0.86738E+01 -0.30968E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918095089873E+02 0.86819E+00 -0.17185E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914342775180E+02 0.37523E+00 -0.54127E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913525566852E+02 0.81721E-01 -0.13190E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913442810254E+02 0.82757E-02 -0.44219E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913486200813E+02 -0.43391E-02 -0.11836E-02 616 0.567E-01 0.132E-01
DAV: 12 -0.913518315590E+02 -0.32115E-02 -0.28451E-03 615 0.246E-01 0.107E-01
DAV: 13 -0.913553708837E+02 -0.35393E-02 -0.11982E-03 661 0.188E-01 0.449E-02
DAV: 14 -0.913587185011E+02 -0.33476E-02 -0.76086E-04 664 0.155E-01 0.374E-02
DAV: 15 -0.913599359789E+02 -0.12175E-02 -0.13258E-04 752 0.800E-02 0.335E-02
DAV: 16 -0.913614202897E+02 -0.14843E-02 -0.33308E-04 648 0.923E-02 0.168E-02
DAV: 17 -0.913618719195E+02 -0.45163E-03 -0.71704E-05 720 0.584E-02 0.130E-02
DAV: 18 -0.913620932585E+02 -0.22134E-03 -0.34181E-05 581 0.264E-02 0.877E-03
DAV: 19 -0.913621681075E+02 -0.74849E-04 -0.97827E-06 480 0.157E-02 0.403E-03
DAV: 20 -0.913622021502E+02 -0.34043E-04 -0.63000E-06 432 0.160E-02 0.166E-03
DAV: 21 -0.913622176696E+02 -0.15519E-04 -0.30811E-06 453 0.789E-03 0.221E-03
DAV: 22 -0.913622202281E+02 -0.25585E-05 -0.51527E-07 496 0.447E-03
1 F= -.91362220E+02 E0= -.91366984E+02 d E =0.142926E-01