./iterations/neb0_image02_iter208_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 0.366932815569E+03 0.36693E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.210836162820E+01 -0.36482E+03 -0.35282E+03 858 0.196E+02
DAV: 3 -0.956544843360E+02 -0.97763E+02 -0.97432E+02 648 0.116E+02
DAV: 4 -0.100254122059E+03 -0.45996E+01 -0.45890E+01 712 0.291E+01
DAV: 5 -0.100343835058E+03 -0.89713E-01 -0.89675E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916762348677E+02 0.86676E+01 -0.30973E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908559436480E+02 0.82029E+00 -0.18349E+00 728 0.636E+00 0.484E+00
DAV: 8 -0.904748942825E+02 0.38105E+00 -0.55020E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903886670594E+02 0.86227E-01 -0.13733E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903835305733E+02 0.51365E-02 -0.49675E-02 704 0.127E+00 0.331E-01
DAV: 11 -0.903871914395E+02 -0.36609E-02 -0.80740E-03 616 0.603E-01 0.121E-01
DAV: 12 -0.903901890825E+02 -0.29976E-02 -0.67900E-03 648 0.415E-01 0.135E-01
DAV: 13 -0.903927678363E+02 -0.25788E-02 -0.19167E-03 856 0.341E-01 0.823E-02
DAV: 14 -0.903959914482E+02 -0.32236E-02 -0.13974E-03 629 0.175E-01 0.710E-02
DAV: 15 -0.903978067235E+02 -0.18153E-02 -0.31099E-04 696 0.105E-01 0.528E-02
DAV: 16 -0.903993059351E+02 -0.14992E-02 -0.10578E-03 680 0.190E-01 0.405E-02
DAV: 17 -0.903999763226E+02 -0.67039E-03 -0.15525E-04 744 0.864E-02 0.263E-02
DAV: 18 -0.904002809459E+02 -0.30462E-03 -0.80373E-05 672 0.430E-02 0.999E-03
DAV: 19 -0.904004576857E+02 -0.17674E-03 -0.43508E-05 652 0.339E-02 0.728E-03
DAV: 20 -0.904004864295E+02 -0.28744E-04 -0.39817E-06 504 0.142E-02 0.550E-03
DAV: 21 -0.904005433787E+02 -0.56949E-04 -0.13061E-05 428 0.193E-02 0.308E-03
DAV: 22 -0.904005490605E+02 -0.56818E-05 -0.33448E-06 496 0.106E-02
1 F= -.90400549E+02 E0= -.90407307E+02 d E =0.202744E-01