iterations/neb0_image01_iter44_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 0.366924437069E+03 0.36692E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.348613177993E+01 -0.36344E+03 -0.35002E+03 839 0.195E+02
DAV: 3 -0.956334311084E+02 -0.99120E+02 -0.98777E+02 672 0.116E+02
DAV: 4 -0.100208097689E+03 -0.45747E+01 -0.45650E+01 693 0.287E+01
DAV: 5 -0.100299083295E+03 -0.90986E-01 -0.90935E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916754252913E+02 0.86237E+01 -0.31041E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.908552550529E+02 0.82017E+00 -0.18351E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904732461813E+02 0.38201E+00 -0.56010E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903874533187E+02 0.85793E-01 -0.13791E-01 696 0.166E+00 0.430E-01
DAV: 10 -0.903816620713E+02 0.57912E-02 -0.44896E-02 736 0.126E+00 0.315E-01
DAV: 11 -0.903854176158E+02 -0.37555E-02 -0.67429E-03 608 0.472E-01 0.148E-01
DAV: 12 -0.903888115140E+02 -0.33939E-02 -0.66255E-03 629 0.478E-01 0.122E-01
DAV: 13 -0.903916577727E+02 -0.28463E-02 -0.11304E-03 784 0.285E-01 0.779E-02
DAV: 14 -0.903946351619E+02 -0.29774E-02 -0.16649E-03 637 0.197E-01 0.599E-02
DAV: 15 -0.903968468675E+02 -0.22117E-02 -0.45163E-04 760 0.146E-01 0.408E-02
DAV: 16 -0.903979738903E+02 -0.11270E-02 -0.53194E-04 672 0.128E-01 0.339E-02
DAV: 17 -0.903989192963E+02 -0.94541E-03 -0.17453E-04 735 0.869E-02 0.211E-02
DAV: 18 -0.903991017578E+02 -0.18246E-03 -0.49156E-05 704 0.356E-02 0.137E-02
DAV: 19 -0.903993597556E+02 -0.25800E-03 -0.51675E-05 630 0.367E-02 0.429E-03
DAV: 20 -0.903994138806E+02 -0.54125E-04 -0.41630E-06 480 0.116E-02 0.406E-03
DAV: 21 -0.903994579517E+02 -0.44071E-04 -0.52300E-06 408 0.108E-02 0.205E-03
DAV: 22 -0.903994751774E+02 -0.17226E-04 -0.33885E-06 477 0.757E-03 0.150E-03
DAV: 23 -0.903994774645E+02 -0.22870E-05 -0.56515E-07 504 0.404E-03
1 F= -.90399477E+02 E0= -.90404864E+02 d E =0.161588E-01