./iterations/neb0_image07_iter179_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 0.371192327838E+03 0.37119E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.323875482126E+01 -0.36795E+03 -0.35530E+03 869 0.194E+02
DAV: 3 -0.962758701465E+02 -0.99515E+02 -0.99191E+02 664 0.116E+02
DAV: 4 -0.101028952020E+03 -0.47531E+01 -0.47415E+01 696 0.291E+01
DAV: 5 -0.101127676072E+03 -0.98724E-01 -0.98660E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925560931961E+02 0.85716E+01 -0.30472E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917071521976E+02 0.84894E+00 -0.17227E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913375288320E+02 0.36962E+00 -0.52837E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912564167054E+02 0.81112E-01 -0.13100E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912480209049E+02 0.83958E-02 -0.42170E-02 744 0.108E+00 0.295E-01
DAV: 11 -0.912522203191E+02 -0.41994E-02 -0.11560E-02 608 0.563E-01 0.136E-01
DAV: 12 -0.912552269765E+02 -0.30067E-02 -0.27346E-03 639 0.270E-01 0.923E-02
DAV: 13 -0.912588965765E+02 -0.36696E-02 -0.11584E-03 642 0.172E-01 0.527E-02
DAV: 14 -0.912620179880E+02 -0.31214E-02 -0.71217E-04 754 0.195E-01 0.385E-02
DAV: 15 -0.912633925987E+02 -0.13746E-02 -0.29370E-04 680 0.110E-01 0.346E-02
DAV: 16 -0.912645573825E+02 -0.11648E-02 -0.18318E-04 666 0.700E-02 0.141E-02
DAV: 17 -0.912653328312E+02 -0.77545E-03 -0.86127E-05 693 0.437E-02 0.122E-02
DAV: 18 -0.912656494511E+02 -0.31662E-03 -0.38611E-05 616 0.360E-02 0.546E-03
DAV: 19 -0.912657477432E+02 -0.98292E-04 -0.90675E-06 448 0.155E-02 0.410E-03
DAV: 20 -0.912657686463E+02 -0.20903E-04 -0.47834E-06 512 0.136E-02 0.180E-03
DAV: 21 -0.912657904194E+02 -0.21773E-04 -0.25867E-06 404 0.801E-03 0.124E-03
DAV: 22 -0.912657974562E+02 -0.70368E-05 -0.11368E-06 436 0.410E-03
1 F= -.91265797E+02 E0= -.91271324E+02 d E =0.165806E-01