./iterations/neb0_image01_iter173_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 0.365567472712E+03 0.36557E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.315705106335E+01 -0.36241E+03 -0.34948E+03 842 0.196E+02
DAV: 3 -0.955901604740E+02 -0.98747E+02 -0.98399E+02 669 0.116E+02
DAV: 4 -0.100215617711E+03 -0.46255E+01 -0.46144E+01 688 0.287E+01
DAV: 5 -0.100308534962E+03 -0.92917E-01 -0.92870E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916802715464E+02 0.86283E+01 -0.31022E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908802349953E+02 0.80004E+00 -0.18268E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905064247883E+02 0.37381E+00 -0.54830E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904244864823E+02 0.81938E-01 -0.12979E-01 720 0.170E+00 0.424E-01
DAV: 10 -0.904199762218E+02 0.45103E-02 -0.47423E-02 720 0.124E+00 0.327E-01
DAV: 11 -0.904242853331E+02 -0.43091E-02 -0.90412E-03 608 0.655E-01 0.115E-01
DAV: 12 -0.904272718357E+02 -0.29865E-02 -0.60934E-03 621 0.411E-01 0.128E-01
DAV: 13 -0.904299088097E+02 -0.26370E-02 -0.14698E-03 853 0.294E-01 0.791E-02
DAV: 14 -0.904333211178E+02 -0.34123E-02 -0.17462E-03 631 0.221E-01 0.771E-02
DAV: 15 -0.904346533421E+02 -0.13322E-02 -0.29011E-04 824 0.130E-01 0.541E-02
DAV: 16 -0.904360118507E+02 -0.13585E-02 -0.10632E-03 661 0.203E-01 0.387E-02
DAV: 17 -0.904368180189E+02 -0.80617E-03 -0.16623E-04 722 0.868E-02 0.320E-02
DAV: 18 -0.904370083298E+02 -0.19031E-03 -0.30756E-05 648 0.295E-02 0.249E-02
DAV: 19 -0.904373311864E+02 -0.32286E-03 -0.10002E-04 638 0.599E-02 0.936E-03
DAV: 20 -0.904373729711E+02 -0.41785E-04 -0.24827E-05 624 0.319E-02 0.679E-03
DAV: 21 -0.904374046913E+02 -0.31720E-04 -0.65138E-06 429 0.150E-02 0.694E-03
DAV: 22 -0.904374489344E+02 -0.44243E-04 -0.73416E-06 441 0.132E-02 0.519E-03
DAV: 23 -0.904374538932E+02 -0.49588E-05 -0.37771E-06 496 0.125E-02
1 F= -.90437454E+02 E0= -.90444217E+02 d E =0.202902E-01