./iterations/neb0_image02_iter170_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 0.363800258295E+03 0.36380E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.184985685724E+01 -0.36195E+03 -0.34997E+03 853 0.195E+02
DAV: 3 -0.956614441384E+02 -0.97511E+02 -0.97174E+02 656 0.115E+02
DAV: 4 -0.100230382315E+03 -0.45689E+01 -0.45582E+01 720 0.287E+01
DAV: 5 -0.100321350577E+03 -0.90968E-01 -0.90938E-01 760 0.362E+00 0.222E+01
DAV: 6 -0.916784783935E+02 0.86429E+01 -0.31017E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908618673774E+02 0.81661E+00 -0.18419E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904804424520E+02 0.38142E+00 -0.55872E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903936770309E+02 0.86765E-01 -0.13686E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903880941136E+02 0.55829E-02 -0.49912E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903915668307E+02 -0.34727E-02 -0.75200E-03 616 0.562E-01 0.131E-01
DAV: 12 -0.903947720843E+02 -0.32053E-02 -0.75444E-03 640 0.455E-01 0.138E-01
DAV: 13 -0.903972860615E+02 -0.25140E-02 -0.19976E-03 888 0.354E-01 0.825E-02
DAV: 14 -0.904004251084E+02 -0.31390E-02 -0.14094E-03 642 0.175E-01 0.690E-02
DAV: 15 -0.904023835869E+02 -0.19585E-02 -0.35258E-04 661 0.107E-01 0.526E-02
DAV: 16 -0.904038923761E+02 -0.15088E-02 -0.10257E-03 672 0.187E-01 0.397E-02
DAV: 17 -0.904046188122E+02 -0.72644E-03 -0.15714E-04 752 0.868E-02 0.254E-02
DAV: 18 -0.904049332088E+02 -0.31440E-03 -0.88561E-05 680 0.446E-02 0.889E-03
DAV: 19 -0.904050936859E+02 -0.16048E-03 -0.33582E-05 597 0.288E-02 0.623E-03
DAV: 20 -0.904051254484E+02 -0.31763E-04 -0.33153E-06 520 0.132E-02 0.520E-03
DAV: 21 -0.904051822095E+02 -0.56761E-04 -0.11469E-05 414 0.169E-02 0.342E-03
DAV: 22 -0.904051865582E+02 -0.43487E-05 -0.34914E-06 504 0.115E-02
1 F= -.90405187E+02 E0= -.90411845E+02 d E =0.199752E-01