./iterations/neb0_image01_iter234_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 0.364916647850E+03 0.36492E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.319845696731E+01 -0.36172E+03 -0.34860E+03 839 0.195E+02
DAV: 3 -0.954785437107E+02 -0.98677E+02 -0.98332E+02 653 0.116E+02
DAV: 4 -0.100187283059E+03 -0.47087E+01 -0.46964E+01 704 0.293E+01
DAV: 5 -0.100280862164E+03 -0.93579E-01 -0.93532E-01 736 0.371E+00 0.221E+01
DAV: 6 -0.916813908062E+02 0.85995E+01 -0.31024E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908884280654E+02 0.79296E+00 -0.18249E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905130715442E+02 0.37536E+00 -0.55067E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.904296018262E+02 0.83470E-01 -0.13288E-01 720 0.165E+00 0.422E-01
DAV: 10 -0.904250051574E+02 0.45967E-02 -0.47090E-02 712 0.123E+00 0.321E-01
DAV: 11 -0.904290523265E+02 -0.40472E-02 -0.74300E-03 608 0.552E-01 0.123E-01
DAV: 12 -0.904325548597E+02 -0.35025E-02 -0.68181E-03 624 0.459E-01 0.135E-01
DAV: 13 -0.904349561445E+02 -0.24013E-02 -0.16736E-03 869 0.317E-01 0.756E-02
DAV: 14 -0.904381075433E+02 -0.31514E-02 -0.14675E-03 642 0.193E-01 0.690E-02
DAV: 15 -0.904398145269E+02 -0.17070E-02 -0.31957E-04 680 0.110E-01 0.558E-02
DAV: 16 -0.904411616490E+02 -0.13471E-02 -0.10291E-03 669 0.197E-01 0.356E-02
DAV: 17 -0.904419889935E+02 -0.82734E-03 -0.13641E-04 664 0.779E-02 0.323E-02
DAV: 18 -0.904423240160E+02 -0.33502E-03 -0.96982E-05 672 0.507E-02 0.151E-02
DAV: 19 -0.904424846704E+02 -0.16065E-03 -0.73269E-05 645 0.458E-02 0.976E-03
DAV: 20 -0.904425121065E+02 -0.27436E-04 -0.47714E-06 512 0.154E-02 0.915E-03
DAV: 21 -0.904425544161E+02 -0.42310E-04 -0.86665E-06 409 0.164E-02 0.561E-03
DAV: 22 -0.904425609973E+02 -0.65812E-05 -0.50672E-06 488 0.143E-02
1 F= -.90442561E+02 E0= -.90448721E+02 d E =0.184805E-01