./iterations/neb0_image01_iter38_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 0.366861773873E+03 0.36686E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349543560930E+01 -0.36337E+03 -0.34998E+03 839 0.195E+02
DAV: 3 -0.956315453238E+02 -0.99127E+02 -0.98783E+02 672 0.116E+02
DAV: 4 -0.100206709186E+03 -0.45752E+01 -0.45654E+01 685 0.287E+01
DAV: 5 -0.100297917511E+03 -0.91208E-01 -0.91153E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916605429567E+02 0.86374E+01 -0.31103E+01 712 0.299E+01 0.117E+01
DAV: 7 -0.908426870760E+02 0.81786E+00 -0.18409E+00 720 0.635E+00 0.483E+00
DAV: 8 -0.904610383589E+02 0.38165E+00 -0.56004E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903745382741E+02 0.86500E-01 -0.13740E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903687461422E+02 0.57921E-02 -0.45263E-02 736 0.125E+00 0.315E-01
DAV: 11 -0.903725961124E+02 -0.38500E-02 -0.67156E-03 605 0.478E-01 0.141E-01
DAV: 12 -0.903760595754E+02 -0.34635E-02 -0.66517E-03 618 0.468E-01 0.125E-01
DAV: 13 -0.903787849331E+02 -0.27254E-02 -0.12904E-03 845 0.298E-01 0.758E-02
DAV: 14 -0.903817613571E+02 -0.29764E-02 -0.14042E-03 637 0.179E-01 0.568E-02
DAV: 15 -0.903838709866E+02 -0.21096E-02 -0.35306E-04 680 0.116E-01 0.422E-02
DAV: 16 -0.903852548808E+02 -0.13839E-02 -0.66685E-04 661 0.149E-01 0.342E-02
DAV: 17 -0.903860677155E+02 -0.81283E-03 -0.16583E-04 850 0.918E-02 0.198E-02
DAV: 18 -0.903862219987E+02 -0.15428E-03 -0.34137E-05 696 0.313E-02 0.129E-02
DAV: 19 -0.903864894811E+02 -0.26748E-03 -0.57615E-05 608 0.391E-02 0.515E-03
DAV: 20 -0.903865116181E+02 -0.22137E-04 -0.47586E-06 504 0.125E-02 0.546E-03
DAV: 21 -0.903865543449E+02 -0.42727E-04 -0.57230E-06 403 0.151E-02 0.317E-03
DAV: 22 -0.903865760207E+02 -0.21676E-04 -0.45872E-06 469 0.110E-02 0.233E-03
DAV: 23 -0.903865787461E+02 -0.27254E-05 -0.14463E-06 520 0.693E-03
1 F= -.90386579E+02 E0= -.90391842E+02 d E =0.157883E-01