iterations/neb0_image02_iter258_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 0.366471072040E+03 0.36647E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.275337914912E+00 -0.36620E+03 -0.35552E+03 877 0.196E+02
DAV: 3 -0.956560034250E+02 -0.95931E+02 -0.95602E+02 621 0.115E+02
DAV: 4 -0.100269405346E+03 -0.46134E+01 -0.46032E+01 712 0.297E+01
DAV: 5 -0.100361299169E+03 -0.91894E-01 -0.91862E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.916837561904E+02 0.86775E+01 -0.30907E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908546740895E+02 0.82908E+00 -0.18210E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904735648685E+02 0.38111E+00 -0.55874E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903894506681E+02 0.84114E-01 -0.13391E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903850563029E+02 0.43944E-02 -0.48369E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.903889193547E+02 -0.38631E-02 -0.78455E-03 624 0.611E-01 0.116E-01
DAV: 12 -0.903918795741E+02 -0.29602E-02 -0.62455E-03 632 0.398E-01 0.132E-01
DAV: 13 -0.903945458088E+02 -0.26662E-02 -0.18177E-03 877 0.324E-01 0.813E-02
DAV: 14 -0.903976138339E+02 -0.30680E-02 -0.12638E-03 612 0.166E-01 0.688E-02
DAV: 15 -0.903994402016E+02 -0.18264E-02 -0.30912E-04 688 0.105E-01 0.493E-02
DAV: 16 -0.904008620949E+02 -0.14219E-02 -0.92374E-04 672 0.176E-01 0.387E-02
DAV: 17 -0.904014284299E+02 -0.56634E-03 -0.14221E-04 808 0.861E-02 0.227E-02
DAV: 18 -0.904016693623E+02 -0.24093E-03 -0.65694E-05 677 0.405E-02 0.747E-03
DAV: 19 -0.904019002020E+02 -0.23084E-03 -0.30405E-05 558 0.240E-02 0.409E-03
DAV: 20 -0.904019390747E+02 -0.38873E-04 -0.33716E-06 504 0.115E-02 0.455E-03
DAV: 21 -0.904019922389E+02 -0.53164E-04 -0.99441E-06 398 0.158E-02 0.328E-03
DAV: 22 -0.904019970557E+02 -0.48168E-05 -0.26486E-06 504 0.102E-02
1 F= -.90401997E+02 E0= -.90408869E+02 d E =0.206171E-01