./iterations/neb0_image05_iter198_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 0.366952237566E+03 0.36695E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.415798114691E+01 -0.36279E+03 -0.34891E+03 848 0.195E+02
DAV: 3 -0.954585040692E+02 -0.99616E+02 -0.99280E+02 693 0.116E+02
DAV: 4 -0.998737131170E+02 -0.44152E+01 -0.44049E+01 704 0.274E+01
DAV: 5 -0.999610072576E+02 -0.87294E-01 -0.87249E-01 728 0.343E+00 0.220E+01
DAV: 6 -0.915074791675E+02 0.84535E+01 -0.30706E+01 680 0.300E+01 0.116E+01
DAV: 7 -0.907306990054E+02 0.77678E+00 -0.17741E+00 728 0.631E+00 0.480E+00
DAV: 8 -0.903646400453E+02 0.36606E+00 -0.52063E-01 712 0.420E+00 0.170E+00
DAV: 9 -0.902779479632E+02 0.86692E-01 -0.13947E-01 704 0.171E+00 0.439E-01
DAV: 10 -0.902716067056E+02 0.63413E-02 -0.40104E-02 792 0.122E+00 0.306E-01
DAV: 11 -0.902744675873E+02 -0.28609E-02 -0.62660E-03 616 0.497E-01 0.151E-01
DAV: 12 -0.902770242373E+02 -0.25566E-02 -0.58457E-03 610 0.468E-01 0.110E-01
DAV: 13 -0.902801626660E+02 -0.31384E-02 -0.11584E-03 733 0.251E-01 0.798E-02
DAV: 14 -0.902833404355E+02 -0.31778E-02 -0.15500E-03 646 0.178E-01 0.566E-02
DAV: 15 -0.902862690842E+02 -0.29286E-02 -0.78637E-04 808 0.195E-01 0.400E-02
DAV: 16 -0.902874785674E+02 -0.12095E-02 -0.43318E-04 696 0.111E-01 0.350E-02
DAV: 17 -0.902880865199E+02 -0.60795E-03 -0.14839E-04 864 0.780E-02 0.200E-02
DAV: 18 -0.902881958412E+02 -0.10932E-03 -0.44232E-05 717 0.361E-02 0.954E-03
DAV: 19 -0.902885170080E+02 -0.32117E-03 -0.40263E-05 555 0.293E-02 0.579E-03
DAV: 20 -0.902886053146E+02 -0.88307E-04 -0.84028E-06 496 0.146E-02 0.654E-03
DAV: 21 -0.902886324734E+02 -0.27159E-04 -0.45162E-06 440 0.152E-02 0.405E-03
DAV: 22 -0.902886505274E+02 -0.18054E-04 -0.99123E-06 447 0.203E-02 0.302E-03
DAV: 23 -0.902886514142E+02 -0.88681E-06 -0.22916E-06 480 0.874E-03
1 F= -.90288651E+02 E0= -.90295549E+02 d E =0.206923E-01