./iterations/neb0_image09_iter19_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 0.372779841599E+03 0.37278E+03 -0.14271E+04 624 0.799E+02
DAV: 2 0.190887185923E+01 -0.37087E+03 -0.35833E+03 885 0.195E+02
DAV: 3 -0.965985399257E+02 -0.98507E+02 -0.98180E+02 664 0.116E+02
DAV: 4 -0.101064015950E+03 -0.44655E+01 -0.44552E+01 704 0.283E+01
DAV: 5 -0.101152769831E+03 -0.88754E-01 -0.88708E-01 736 0.360E+00 0.225E+01
DAV: 6 -0.925544129323E+02 0.85984E+01 -0.30873E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.917066122023E+02 0.84780E+00 -0.16824E+00 720 0.616E+00 0.478E+00
DAV: 8 -0.913336316898E+02 0.37298E+00 -0.55080E-01 712 0.396E+00 0.164E+00
DAV: 9 -0.912504025349E+02 0.83229E-01 -0.12902E-01 712 0.154E+00 0.425E-01
DAV: 10 -0.912412499017E+02 0.91526E-02 -0.37843E-02 744 0.980E-01 0.284E-01
DAV: 11 -0.912458697776E+02 -0.46199E-02 -0.10997E-02 616 0.539E-01 0.149E-01
DAV: 12 -0.912486521254E+02 -0.27823E-02 -0.22470E-03 626 0.253E-01 0.881E-02
DAV: 13 -0.912524763493E+02 -0.38242E-02 -0.15194E-03 655 0.187E-01 0.540E-02
DAV: 14 -0.912555313095E+02 -0.30550E-02 -0.82802E-04 816 0.221E-01 0.433E-02
DAV: 15 -0.912571173896E+02 -0.15861E-02 -0.32464E-04 656 0.106E-01 0.331E-02
DAV: 16 -0.912581314812E+02 -0.10141E-02 -0.20548E-04 797 0.844E-02 0.213E-02
DAV: 17 -0.912590860987E+02 -0.95462E-03 -0.18887E-04 645 0.683E-02 0.159E-02
DAV: 18 -0.912593164862E+02 -0.23039E-03 -0.19542E-05 536 0.259E-02 0.105E-02
DAV: 19 -0.912595103574E+02 -0.19387E-03 -0.55752E-05 623 0.373E-02 0.725E-03
DAV: 20 -0.912595172903E+02 -0.69329E-05 -0.41881E-06 536 0.165E-02
1 F= -.91259517E+02 E0= -.91264507E+02 d E =0.149678E-01