iterations/neb0_image01_iter246_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 0.365206065081E+03 0.36521E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.323259937004E+01 -0.36197E+03 -0.34882E+03 839 0.196E+02
DAV: 3 -0.954567481218E+02 -0.98689E+02 -0.98344E+02 645 0.116E+02
DAV: 4 -0.100208132370E+03 -0.47514E+01 -0.47391E+01 696 0.297E+01
DAV: 5 -0.100302211389E+03 -0.94079E-01 -0.94032E-01 736 0.377E+00 0.222E+01
DAV: 6 -0.916899426247E+02 0.86123E+01 -0.31036E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908916637333E+02 0.79828E+00 -0.18283E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905155366223E+02 0.37613E+00 -0.55125E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904317287385E+02 0.83808E-01 -0.13428E-01 720 0.164E+00 0.423E-01
DAV: 10 -0.904270137589E+02 0.47150E-02 -0.46433E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904309126149E+02 -0.38989E-02 -0.68774E-03 608 0.517E-01 0.130E-01
DAV: 12 -0.904345188246E+02 -0.36062E-02 -0.71548E-03 637 0.488E-01 0.135E-01
DAV: 13 -0.904369401854E+02 -0.24214E-02 -0.17457E-03 861 0.321E-01 0.744E-02
DAV: 14 -0.904400096109E+02 -0.30694E-02 -0.13630E-03 642 0.180E-01 0.633E-02
DAV: 15 -0.904418336803E+02 -0.18241E-02 -0.34482E-04 680 0.110E-01 0.516E-02
DAV: 16 -0.904432622549E+02 -0.14286E-02 -0.94430E-04 666 0.187E-01 0.355E-02
DAV: 17 -0.904440162350E+02 -0.75398E-03 -0.12647E-04 672 0.750E-02 0.313E-02
DAV: 18 -0.904443168316E+02 -0.30060E-03 -0.11142E-04 664 0.563E-02 0.119E-02
DAV: 19 -0.904444683973E+02 -0.15157E-03 -0.47105E-05 653 0.352E-02 0.837E-03
DAV: 20 -0.904445019687E+02 -0.33571E-04 -0.35943E-06 512 0.150E-02 0.921E-03
DAV: 21 -0.904445400586E+02 -0.38090E-04 -0.81505E-06 420 0.195E-02 0.508E-03
DAV: 22 -0.904445462294E+02 -0.61708E-05 -0.73971E-06 496 0.151E-02
1 F= -.90444546E+02 E0= -.90449983E+02 d E =0.163092E-01