./iterations/neb0_image06_iter95_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 0.374804875148E+03 0.37480E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.355490348815E+01 -0.37125E+03 -0.35915E+03 877 0.195E+02
DAV: 3 -0.955914986312E+02 -0.99146E+02 -0.98822E+02 656 0.116E+02
DAV: 4 -0.100169727761E+03 -0.45782E+01 -0.45672E+01 704 0.289E+01
DAV: 5 -0.100263827532E+03 -0.94100E-01 -0.94059E-01 744 0.368E+00 0.225E+01
DAV: 6 -0.916640003367E+02 0.85998E+01 -0.30956E+01 698 0.306E+01 0.117E+01
DAV: 7 -0.908436370018E+02 0.82036E+00 -0.17136E+00 720 0.629E+00 0.481E+00
DAV: 8 -0.904631387595E+02 0.38050E+00 -0.53175E-01 720 0.407E+00 0.167E+00
DAV: 9 -0.903714294705E+02 0.91709E-01 -0.13125E-01 728 0.160E+00 0.420E-01
DAV: 10 -0.903612346897E+02 0.10195E-01 -0.46790E-02 720 0.110E+00 0.309E-01
DAV: 11 -0.903659109872E+02 -0.46763E-02 -0.13248E-02 621 0.628E-01 0.167E-01
DAV: 12 -0.903679702292E+02 -0.20592E-02 -0.24217E-03 652 0.243E-01 0.129E-01
DAV: 13 -0.903728120382E+02 -0.48418E-02 -0.38394E-03 650 0.379E-01 0.735E-02
DAV: 14 -0.903744284972E+02 -0.16165E-02 -0.44957E-04 728 0.134E-01 0.536E-02
DAV: 15 -0.903777712279E+02 -0.33427E-02 -0.92827E-04 679 0.176E-01 0.381E-02
DAV: 16 -0.903784830353E+02 -0.71181E-03 -0.14843E-04 717 0.678E-02 0.315E-02
DAV: 17 -0.903789707723E+02 -0.48774E-03 -0.96599E-05 671 0.597E-02 0.155E-02
DAV: 18 -0.903796767831E+02 -0.70601E-03 -0.13157E-04 636 0.543E-02 0.105E-02
DAV: 19 -0.903797417824E+02 -0.64999E-04 -0.77015E-06 528 0.184E-02 0.886E-03
DAV: 20 -0.903798291229E+02 -0.87340E-04 -0.16080E-05 421 0.219E-02 0.590E-03
DAV: 21 -0.903798520876E+02 -0.22965E-04 -0.43084E-06 485 0.126E-02 0.312E-03
DAV: 22 -0.903798714564E+02 -0.19369E-04 -0.60232E-06 394 0.153E-02 0.231E-03
DAV: 23 -0.903798753350E+02 -0.38786E-05 -0.15365E-06 496 0.606E-03
1 F= -.90379875E+02 E0= -.90384218E+02 d E =0.130289E-01