iterations/neb0_image06_iter118_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 0.375693787166E+03 0.37569E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.382698697155E+01 -0.37187E+03 -0.35993E+03 882 0.195E+02
DAV: 3 -0.955657766118E+02 -0.99393E+02 -0.99067E+02 648 0.116E+02
DAV: 4 -0.100323120724E+03 -0.47573E+01 -0.47445E+01 704 0.294E+01
DAV: 5 -0.100420756961E+03 -0.97636E-01 -0.97594E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.918324254474E+02 0.85883E+01 -0.30744E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.910138415351E+02 0.81858E+00 -0.17476E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.906361848696E+02 0.37766E+00 -0.49380E-01 728 0.398E+00 0.169E+00
DAV: 9 -0.905440350014E+02 0.92150E-01 -0.14021E-01 725 0.177E+00 0.420E-01
DAV: 10 -0.905352675163E+02 0.87675E-02 -0.40463E-02 800 0.108E+00 0.300E-01
DAV: 11 -0.905394971607E+02 -0.42296E-02 -0.15087E-02 602 0.701E-01 0.178E-01
DAV: 12 -0.905404912655E+02 -0.99410E-03 -0.21217E-03 682 0.308E-01 0.123E-01
DAV: 13 -0.905456134179E+02 -0.51222E-02 -0.68192E-03 694 0.611E-01 0.104E-01
DAV: 14 -0.905466516498E+02 -0.10382E-02 -0.15563E-03 712 0.234E-01 0.824E-02
DAV: 15 -0.905483826841E+02 -0.17310E-02 -0.71841E-04 626 0.146E-01 0.325E-02
DAV: 16 -0.905512628625E+02 -0.28802E-02 -0.65561E-04 671 0.134E-01 0.476E-02
DAV: 17 -0.905521267889E+02 -0.86393E-03 -0.17385E-04 997 0.122E-01 0.233E-02
DAV: 18 -0.905527480891E+02 -0.62130E-03 -0.19576E-04 637 0.905E-02 0.124E-02
DAV: 19 -0.905529958019E+02 -0.24771E-03 -0.46568E-05 669 0.398E-02 0.122E-02
DAV: 20 -0.905530980335E+02 -0.10223E-03 -0.92832E-06 429 0.175E-02 0.522E-03
DAV: 21 -0.905531478361E+02 -0.49803E-04 -0.25652E-05 492 0.226E-02 0.847E-03
DAV: 22 -0.905531562699E+02 -0.84338E-05 -0.63485E-06 509 0.257E-02
1 F= -.90553156E+02 E0= -.90558677E+02 d E =0.165621E-01