./iterations/neb0_image02_iter145_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 0.363784791870E+03 0.36378E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.283528273636E+01 -0.36095E+03 -0.34760E+03 845 0.195E+02
DAV: 3 -0.955455793807E+02 -0.98381E+02 -0.98046E+02 656 0.116E+02
DAV: 4 -0.100197568860E+03 -0.46520E+01 -0.46405E+01 720 0.290E+01
DAV: 5 -0.100288528316E+03 -0.90959E-01 -0.90927E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916683938216E+02 0.86201E+01 -0.31031E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908593755899E+02 0.80902E+00 -0.18464E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904777732887E+02 0.38160E+00 -0.55674E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903901328612E+02 0.87640E-01 -0.13798E-01 696 0.167E+00 0.432E-01
DAV: 10 -0.903842540787E+02 0.58788E-02 -0.50696E-02 712 0.133E+00 0.331E-01
DAV: 11 -0.903876487211E+02 -0.33946E-02 -0.74854E-03 608 0.525E-01 0.149E-01
DAV: 12 -0.903910335782E+02 -0.33849E-02 -0.83701E-03 640 0.506E-01 0.140E-01
DAV: 13 -0.903936271055E+02 -0.25935E-02 -0.19200E-03 933 0.358E-01 0.840E-02
DAV: 14 -0.903966744157E+02 -0.30473E-02 -0.14146E-03 645 0.181E-01 0.650E-02
DAV: 15 -0.903988357553E+02 -0.21613E-02 -0.41211E-04 672 0.110E-01 0.517E-02
DAV: 16 -0.904002892972E+02 -0.14535E-02 -0.83128E-04 664 0.172E-01 0.327E-02
DAV: 17 -0.904011605581E+02 -0.87126E-03 -0.14246E-04 664 0.771E-02 0.267E-02
DAV: 18 -0.904014045751E+02 -0.24402E-03 -0.69177E-05 688 0.410E-02 0.117E-02
DAV: 19 -0.904016066808E+02 -0.20211E-03 -0.54317E-05 626 0.382E-02 0.788E-03
DAV: 20 -0.904016231367E+02 -0.16456E-04 -0.57647E-06 480 0.203E-02 0.671E-03
DAV: 21 -0.904016480879E+02 -0.24951E-04 -0.72701E-06 450 0.154E-02 0.667E-03
DAV: 22 -0.904016755609E+02 -0.27473E-04 -0.48406E-06 439 0.149E-02 0.323E-03
DAV: 23 -0.904016800758E+02 -0.45150E-05 -0.72063E-06 488 0.150E-02
1 F= -.90401680E+02 E0= -.90407579E+02 d E =0.176953E-01