iterations/neb0_image03_iter137_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 0.365810579121E+03 0.36581E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.224355850517E+01 -0.36357E+03 -0.35124E+03 853 0.195E+02
DAV: 3 -0.959076114423E+02 -0.98151E+02 -0.97830E+02 680 0.116E+02
DAV: 4 -0.100204732338E+03 -0.42971E+01 -0.42876E+01 704 0.277E+01
DAV: 5 -0.100289003990E+03 -0.84272E-01 -0.84240E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.917029346276E+02 0.85861E+01 -0.30643E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.908534451932E+02 0.84949E+00 -0.18222E+00 712 0.645E+00 0.483E+00
DAV: 8 -0.904496518866E+02 0.40379E+00 -0.57982E-01 704 0.447E+00 0.168E+00
DAV: 9 -0.903547580696E+02 0.94894E-01 -0.12692E-01 704 0.193E+00 0.477E-01
DAV: 10 -0.903454566951E+02 0.93014E-02 -0.39562E-02 712 0.989E-01 0.348E-01
DAV: 11 -0.903473970837E+02 -0.19404E-02 -0.74367E-03 752 0.643E-01 0.166E-01
DAV: 12 -0.903494821482E+02 -0.20851E-02 -0.39660E-03 618 0.377E-01 0.120E-01
DAV: 13 -0.903541338593E+02 -0.46517E-02 -0.34049E-03 653 0.311E-01 0.864E-02
DAV: 14 -0.903591009708E+02 -0.49671E-02 -0.11913E-03 636 0.181E-01 0.530E-02
DAV: 15 -0.903605863002E+02 -0.14853E-02 -0.31629E-04 768 0.103E-01 0.251E-02
DAV: 16 -0.903622329799E+02 -0.16467E-02 -0.14359E-04 669 0.650E-02 0.129E-02
DAV: 17 -0.903633742381E+02 -0.11413E-02 -0.10629E-04 626 0.403E-02 0.873E-03
DAV: 18 -0.903637468675E+02 -0.37263E-03 -0.44256E-05 600 0.284E-02 0.687E-03
DAV: 19 -0.903638458451E+02 -0.98978E-04 -0.83605E-06 512 0.175E-02 0.301E-03
DAV: 20 -0.903639134467E+02 -0.67602E-04 -0.98830E-06 423 0.160E-02 0.316E-03
DAV: 21 -0.903639403126E+02 -0.26866E-04 -0.36513E-06 464 0.974E-03 0.187E-03
DAV: 22 -0.903639483638E+02 -0.80512E-05 -0.25934E-06 480 0.975E-03
1 F= -.90363948E+02 E0= -.90372691E+02 d E =0.262292E-01