iterations/neb0_image02_iter220_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 0.366549410643E+03 0.36655E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.135504895126E+01 -0.36519E+03 -0.35421E+03 869 0.195E+02
DAV: 3 -0.956274458221E+02 -0.96982E+02 -0.96647E+02 640 0.116E+02
DAV: 4 -0.100239545540E+03 -0.46121E+01 -0.46011E+01 696 0.293E+01
DAV: 5 -0.100331423467E+03 -0.91878E-01 -0.91837E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916751289565E+02 0.86563E+01 -0.30991E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908570437890E+02 0.81809E+00 -0.18324E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904761607747E+02 0.38088E+00 -0.55354E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903899908213E+02 0.86170E-01 -0.13691E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903849259067E+02 0.50649E-02 -0.48828E-02 704 0.126E+00 0.327E-01
DAV: 11 -0.903886631679E+02 -0.37373E-02 -0.80197E-03 616 0.584E-01 0.121E-01
DAV: 12 -0.903916655071E+02 -0.30023E-02 -0.65599E-03 648 0.416E-01 0.134E-01
DAV: 13 -0.903941754499E+02 -0.25099E-02 -0.18634E-03 872 0.335E-01 0.805E-02
DAV: 14 -0.903974143576E+02 -0.32389E-02 -0.13756E-03 621 0.175E-01 0.693E-02
DAV: 15 -0.903991535145E+02 -0.17392E-02 -0.30510E-04 696 0.105E-01 0.524E-02
DAV: 16 -0.904006817699E+02 -0.15283E-02 -0.11021E-03 677 0.195E-01 0.425E-02
DAV: 17 -0.904012975291E+02 -0.61576E-03 -0.14820E-04 728 0.868E-02 0.290E-02
DAV: 18 -0.904016088768E+02 -0.31135E-03 -0.85697E-05 672 0.444E-02 0.129E-02
DAV: 19 -0.904017923223E+02 -0.18345E-03 -0.56865E-05 658 0.399E-02 0.731E-03
DAV: 20 -0.904018258868E+02 -0.33565E-04 -0.54193E-06 504 0.157E-02 0.652E-03
DAV: 21 -0.904018782501E+02 -0.52363E-04 -0.11463E-05 417 0.180E-02 0.378E-03
DAV: 22 -0.904018853385E+02 -0.70884E-05 -0.50580E-06 488 0.139E-02
1 F= -.90401885E+02 E0= -.90408219E+02 d E =0.190011E-01