iterations/neb0_image05_iter165_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 0.367962940831E+03 0.36796E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.260936499811E+01 -0.36535E+03 -0.35196E+03 861 0.194E+02
DAV: 3 -0.951677514276E+02 -0.97777E+02 -0.97437E+02 637 0.116E+02
DAV: 4 -0.999400381804E+02 -0.47723E+01 -0.47610E+01 704 0.297E+01
DAV: 5 -0.100037255154E+03 -0.97217E-01 -0.97167E-01 728 0.378E+00 0.222E+01
DAV: 6 -0.915342174515E+02 0.85030E+01 -0.30265E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.907233925398E+02 0.81082E+00 -0.18340E+00 728 0.634E+00 0.481E+00
DAV: 8 -0.903452184298E+02 0.37817E+00 -0.54392E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.902563504383E+02 0.88868E-01 -0.13399E-01 720 0.164E+00 0.431E-01
DAV: 10 -0.902483573917E+02 0.79930E-02 -0.49041E-02 741 0.128E+00 0.328E-01
DAV: 11 -0.902515242246E+02 -0.31668E-02 -0.66219E-03 632 0.514E-01 0.142E-01
DAV: 12 -0.902545040880E+02 -0.29799E-02 -0.79521E-03 621 0.494E-01 0.143E-01
DAV: 13 -0.902568000844E+02 -0.22960E-02 -0.19658E-03 869 0.349E-01 0.738E-02
DAV: 14 -0.902601711220E+02 -0.33710E-02 -0.14175E-03 628 0.166E-01 0.551E-02
DAV: 15 -0.902630212709E+02 -0.28501E-02 -0.40040E-04 680 0.925E-02 0.485E-02
DAV: 16 -0.902646266260E+02 -0.16054E-02 -0.58065E-04 685 0.137E-01 0.237E-02
DAV: 17 -0.902654352256E+02 -0.80860E-03 -0.10494E-04 669 0.571E-02 0.246E-02
DAV: 18 -0.902657874931E+02 -0.35227E-03 -0.74271E-05 658 0.424E-02 0.105E-02
DAV: 19 -0.902658742001E+02 -0.86707E-04 -0.15467E-05 480 0.237E-02 0.306E-03
DAV: 20 -0.902659410044E+02 -0.66804E-04 -0.86036E-06 412 0.128E-02 0.338E-03
DAV: 21 -0.902659666383E+02 -0.25634E-04 -0.30642E-06 472 0.641E-03 0.304E-03
DAV: 22 -0.902659745418E+02 -0.79035E-05 -0.17801E-06 428 0.664E-03
1 F= -.90265975E+02 E0= -.90273768E+02 d E =0.233814E-01