iterations/neb0_image02_iter100_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 0.367720271976E+03 0.36772E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.465789815448E+01 -0.36306E+03 -0.34834E+03 834 0.195E+02
DAV: 3 -0.954649663595E+02 -0.10012E+03 -0.99789E+02 672 0.116E+02
DAV: 4 -0.100149805654E+03 -0.46848E+01 -0.46740E+01 704 0.287E+01
DAV: 5 -0.100242873592E+03 -0.93068E-01 -0.93025E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916584077669E+02 0.85845E+01 -0.30818E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908353421518E+02 0.82307E+00 -0.18150E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904495895020E+02 0.38575E+00 -0.56112E-01 688 0.428E+00 0.168E+00
DAV: 9 -0.903609754523E+02 0.88614E-01 -0.13871E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903546774025E+02 0.62980E-02 -0.46615E-02 704 0.128E+00 0.322E-01
DAV: 11 -0.903582163478E+02 -0.35389E-02 -0.70259E-03 616 0.480E-01 0.153E-01
DAV: 12 -0.903615042988E+02 -0.32880E-02 -0.71382E-03 616 0.473E-01 0.127E-01
DAV: 13 -0.903644965977E+02 -0.29923E-02 -0.13950E-03 976 0.319E-01 0.815E-02
DAV: 14 -0.903674630659E+02 -0.29665E-02 -0.13150E-03 634 0.169E-01 0.547E-02
DAV: 15 -0.903698872232E+02 -0.24242E-02 -0.43745E-04 672 0.120E-01 0.408E-02
DAV: 16 -0.903711784418E+02 -0.12912E-02 -0.52083E-04 664 0.126E-01 0.300E-02
DAV: 17 -0.903720567841E+02 -0.87834E-03 -0.15758E-04 810 0.820E-02 0.175E-02
DAV: 18 -0.903722193038E+02 -0.16252E-03 -0.32077E-05 648 0.300E-02 0.104E-02
DAV: 19 -0.903724465435E+02 -0.22724E-03 -0.42772E-05 569 0.321E-02 0.438E-03
DAV: 20 -0.903724756064E+02 -0.29063E-04 -0.29296E-06 504 0.102E-02 0.461E-03
DAV: 21 -0.903725233144E+02 -0.47708E-04 -0.68161E-06 406 0.157E-02 0.328E-03
DAV: 22 -0.903725368024E+02 -0.13488E-04 -0.33635E-06 477 0.961E-03 0.259E-03
DAV: 23 -0.903725400512E+02 -0.32488E-05 -0.16815E-06 480 0.805E-03
1 F= -.90372540E+02 E0= -.90378519E+02 d E =0.179368E-01