./iterations/neb0_image01_iter35_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 0.366496578727E+03 0.36650E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.308653111441E+01 -0.36341E+03 -0.35007E+03 847 0.195E+02
DAV: 3 -0.955943385754E+02 -0.98681E+02 -0.98333E+02 672 0.116E+02
DAV: 4 -0.100176458666E+03 -0.45821E+01 -0.45721E+01 685 0.285E+01
DAV: 5 -0.100269078660E+03 -0.92620E-01 -0.92564E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916536105255E+02 0.86155E+01 -0.31031E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908361232271E+02 0.81749E+00 -0.18347E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.904546119486E+02 0.38151E+00 -0.56385E-01 704 0.431E+00 0.168E+00
DAV: 9 -0.903686285641E+02 0.85983E-01 -0.13727E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903627877913E+02 0.58408E-02 -0.43796E-02 736 0.124E+00 0.311E-01
DAV: 11 -0.903665944226E+02 -0.38066E-02 -0.64750E-03 605 0.461E-01 0.146E-01
DAV: 12 -0.903700109624E+02 -0.34165E-02 -0.64968E-03 618 0.475E-01 0.122E-01
DAV: 13 -0.903727795363E+02 -0.27686E-02 -0.11087E-03 784 0.282E-01 0.769E-02
DAV: 14 -0.903757724726E+02 -0.29929E-02 -0.16776E-03 637 0.198E-01 0.583E-02
DAV: 15 -0.903778807925E+02 -0.21083E-02 -0.35870E-04 760 0.132E-01 0.381E-02
DAV: 16 -0.903791565272E+02 -0.12757E-02 -0.54154E-04 661 0.131E-01 0.337E-02
DAV: 17 -0.903800607489E+02 -0.90422E-03 -0.16858E-04 762 0.901E-02 0.196E-02
DAV: 18 -0.903802603052E+02 -0.19956E-03 -0.47627E-05 696 0.350E-02 0.120E-02
DAV: 19 -0.903804927886E+02 -0.23248E-03 -0.56615E-05 630 0.390E-02 0.757E-03
DAV: 20 -0.903805144665E+02 -0.21678E-04 -0.33981E-06 496 0.136E-02 0.623E-03
DAV: 21 -0.903805599296E+02 -0.45463E-04 -0.11610E-05 400 0.211E-02 0.174E-03
DAV: 22 -0.903805742876E+02 -0.14358E-04 -0.33481E-06 477 0.917E-03 0.230E-03
DAV: 23 -0.903805777196E+02 -0.34320E-05 -0.68331E-07 464 0.383E-03
1 F= -.90380578E+02 E0= -.90385691E+02 d E =0.153407E-01