./iterations/neb0_image02_iter216_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 0.366901947499E+03 0.36690E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.206433580379E+01 -0.36484E+03 -0.35276E+03 861 0.196E+02
DAV: 3 -0.956714759185E+02 -0.97736E+02 -0.97404E+02 648 0.116E+02
DAV: 4 -0.100257563599E+03 -0.45861E+01 -0.45758E+01 704 0.291E+01
DAV: 5 -0.100347349543E+03 -0.89786E-01 -0.89748E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916774795377E+02 0.86699E+01 -0.31007E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908572446452E+02 0.82023E+00 -0.18403E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904761040926E+02 0.38114E+00 -0.55144E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903895369135E+02 0.86567E-01 -0.13777E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903843866605E+02 0.51503E-02 -0.49354E-02 704 0.127E+00 0.329E-01
DAV: 11 -0.903880445125E+02 -0.36579E-02 -0.79985E-03 616 0.590E-01 0.122E-01
DAV: 12 -0.903910700091E+02 -0.30255E-02 -0.68148E-03 648 0.423E-01 0.135E-01
DAV: 13 -0.903936044657E+02 -0.25345E-02 -0.19048E-03 864 0.340E-01 0.815E-02
DAV: 14 -0.903968504266E+02 -0.32460E-02 -0.14033E-03 621 0.177E-01 0.705E-02
DAV: 15 -0.903986347953E+02 -0.17844E-02 -0.31405E-04 696 0.106E-01 0.531E-02
DAV: 16 -0.904001577548E+02 -0.15230E-02 -0.11096E-03 680 0.196E-01 0.421E-02
DAV: 17 -0.904008083988E+02 -0.65064E-03 -0.15626E-04 744 0.877E-02 0.280E-02
DAV: 18 -0.904011215693E+02 -0.31317E-03 -0.82503E-05 664 0.434E-02 0.120E-02
DAV: 19 -0.904013036217E+02 -0.18205E-03 -0.54128E-05 655 0.391E-02 0.753E-03
DAV: 20 -0.904013344456E+02 -0.30824E-04 -0.52484E-06 504 0.157E-02 0.634E-03
DAV: 21 -0.904013888713E+02 -0.54426E-04 -0.12223E-05 420 0.189E-02 0.346E-03
DAV: 22 -0.904013961132E+02 -0.72419E-05 -0.45070E-06 488 0.127E-02
1 F= -.90401396E+02 E0= -.90407917E+02 d E =0.195613E-01