iterations/neb0_image02_iter210_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 0.363738863757E+03 0.36374E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.681614964383E+00 -0.36306E+03 -0.35251E+03 869 0.195E+02
DAV: 3 -0.956786346288E+02 -0.96360E+02 -0.96030E+02 640 0.115E+02
DAV: 4 -0.100252565219E+03 -0.45739E+01 -0.45630E+01 704 0.291E+01
DAV: 5 -0.100343272199E+03 -0.90707E-01 -0.90667E-01 744 0.367E+00 0.222E+01
DAV: 6 -0.916632335806E+02 0.86800E+01 -0.30993E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908470988270E+02 0.81613E+00 -0.18535E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904671438455E+02 0.37995E+00 -0.54672E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903804310663E+02 0.86713E-01 -0.13789E-01 712 0.169E+00 0.427E-01
DAV: 10 -0.903753796979E+02 0.50514E-02 -0.48876E-02 712 0.125E+00 0.329E-01
DAV: 11 -0.903794237220E+02 -0.40440E-02 -0.89401E-03 664 0.634E-01 0.114E-01
DAV: 12 -0.903820843910E+02 -0.26607E-02 -0.55442E-03 640 0.360E-01 0.129E-01
DAV: 13 -0.903848922559E+02 -0.28079E-02 -0.18291E-03 864 0.326E-01 0.815E-02
DAV: 14 -0.903880879642E+02 -0.31957E-02 -0.12516E-03 621 0.160E-01 0.672E-02
DAV: 15 -0.903898815301E+02 -0.17936E-02 -0.31900E-04 720 0.110E-01 0.455E-02
DAV: 16 -0.903913505062E+02 -0.14690E-02 -0.91849E-04 669 0.172E-01 0.407E-02
DAV: 17 -0.903919522341E+02 -0.60173E-03 -0.16848E-04 848 0.863E-02 0.227E-02
DAV: 18 -0.903921593119E+02 -0.20708E-03 -0.46160E-05 680 0.337E-02 0.978E-03
DAV: 19 -0.903923632749E+02 -0.20396E-03 -0.40985E-05 569 0.335E-02 0.564E-03
DAV: 20 -0.903923922111E+02 -0.28936E-04 -0.39933E-06 520 0.132E-02 0.478E-03
DAV: 21 -0.903924441405E+02 -0.51929E-04 -0.99643E-06 422 0.161E-02 0.288E-03
DAV: 22 -0.903924509477E+02 -0.68072E-05 -0.24583E-06 488 0.857E-03
1 F= -.90392451E+02 E0= -.90399257E+02 d E =0.204183E-01