./iterations/neb0_image04_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 0.370041708059E+03 0.37004E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.391665741209E+01 -0.36613E+03 -0.35435E+03 858 0.195E+02
DAV: 3 -0.954323965541E+02 -0.99349E+02 -0.99034E+02 677 0.116E+02
DAV: 4 -0.998888378404E+02 -0.44564E+01 -0.44457E+01 704 0.281E+01
DAV: 5 -0.999759680933E+02 -0.87130E-01 -0.87089E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914450334543E+02 0.85309E+01 -0.29998E+01 685 0.294E+01 0.116E+01
DAV: 7 -0.905866975922E+02 0.85834E+00 -0.17521E+00 712 0.626E+00 0.479E+00
DAV: 8 -0.901881921974E+02 0.39851E+00 -0.55722E-01 712 0.421E+00 0.163E+00
DAV: 9 -0.900946092503E+02 0.93583E-01 -0.13064E-01 712 0.177E+00 0.443E-01
DAV: 10 -0.900847686432E+02 0.98406E-02 -0.59261E-02 712 0.144E+00 0.356E-01
DAV: 11 -0.900888370390E+02 -0.40684E-02 -0.17382E-02 632 0.795E-01 0.160E-01
DAV: 12 -0.900897818467E+02 -0.94481E-03 -0.49100E-03 626 0.362E-01 0.144E-01
DAV: 13 -0.900932310519E+02 -0.34492E-02 -0.41843E-03 837 0.488E-01 0.820E-02
DAV: 14 -0.900969025869E+02 -0.36715E-02 -0.12855E-03 650 0.190E-01 0.643E-02
DAV: 15 -0.900992577756E+02 -0.23552E-02 -0.42396E-04 744 0.121E-01 0.327E-02
DAV: 16 -0.901007483984E+02 -0.14906E-02 -0.33281E-04 685 0.973E-02 0.249E-02
DAV: 17 -0.901018429019E+02 -0.10945E-02 -0.12714E-04 655 0.561E-02 0.184E-02
DAV: 18 -0.901022353230E+02 -0.39242E-03 -0.53925E-05 672 0.339E-02 0.808E-03
DAV: 19 -0.901024307498E+02 -0.19543E-03 -0.31152E-05 519 0.277E-02 0.480E-03
DAV: 20 -0.901024740132E+02 -0.43263E-04 -0.40816E-06 504 0.131E-02 0.435E-03
DAV: 21 -0.901025034159E+02 -0.29403E-04 -0.57252E-06 420 0.113E-02 0.338E-03
DAV: 22 -0.901025106061E+02 -0.71902E-05 -0.15114E-06 480 0.945E-03
1 F= -.90102511E+02 E0= -.90106772E+02 d E =0.127832E-01