./iterations/neb0_image03_iter96_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 0.366846219523E+03 0.36685E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.311197573353E+01 -0.36373E+03 -0.35041E+03 845 0.195E+02
DAV: 3 -0.955697370064E+02 -0.98682E+02 -0.98362E+02 664 0.116E+02
DAV: 4 -0.100133852561E+03 -0.45641E+01 -0.45544E+01 712 0.288E+01
DAV: 5 -0.100223044094E+03 -0.89192E-01 -0.89156E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916561261813E+02 0.85669E+01 -0.30609E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.908121606025E+02 0.84397E+00 -0.18103E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904104111296E+02 0.40175E+00 -0.56619E-01 688 0.433E+00 0.167E+00
DAV: 9 -0.903157328000E+02 0.94678E-01 -0.13453E-01 696 0.179E+00 0.453E-01
DAV: 10 -0.903074168352E+02 0.83160E-02 -0.41543E-02 728 0.109E+00 0.334E-01
DAV: 11 -0.903101253176E+02 -0.27085E-02 -0.59719E-03 672 0.549E-01 0.120E-01
DAV: 12 -0.903126815222E+02 -0.25562E-02 -0.47900E-03 618 0.308E-01 0.119E-01
DAV: 13 -0.903176922551E+02 -0.50107E-02 -0.32071E-03 840 0.422E-01 0.976E-02
DAV: 14 -0.903204825751E+02 -0.27903E-02 -0.77445E-04 669 0.173E-01 0.661E-02
DAV: 15 -0.903230537180E+02 -0.25711E-02 -0.11999E-03 653 0.208E-01 0.363E-02
DAV: 16 -0.903243832263E+02 -0.13295E-02 -0.16927E-04 752 0.851E-02 0.196E-02
DAV: 17 -0.903255082481E+02 -0.11250E-02 -0.16455E-04 664 0.532E-02 0.905E-03
DAV: 18 -0.903258123801E+02 -0.30413E-03 -0.27501E-05 560 0.281E-02 0.486E-03
DAV: 19 -0.903259460277E+02 -0.13365E-03 -0.10784E-05 464 0.144E-02 0.344E-03
DAV: 20 -0.903260060753E+02 -0.60048E-04 -0.63037E-06 464 0.149E-02 0.160E-03
DAV: 21 -0.903260442563E+02 -0.38181E-04 -0.49474E-06 440 0.820E-03 0.194E-03
DAV: 22 -0.903260488020E+02 -0.45457E-05 -0.81851E-07 528 0.662E-03
1 F= -.90326049E+02 E0= -.90334497E+02 d E =0.253459E-01