./iterations/neb0_image02_iter18_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 0.364934441999E+03 0.36493E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.322201390868E+01 -0.36171E+03 -0.34857E+03 847 0.195E+02
DAV: 3 -0.952489123259E+02 -0.98471E+02 -0.98133E+02 672 0.116E+02
DAV: 4 -0.998170293459E+02 -0.45681E+01 -0.45559E+01 720 0.283E+01
DAV: 5 -0.999076742551E+02 -0.90645E-01 -0.90596E-01 736 0.356E+00 0.220E+01
DAV: 6 -0.913450450524E+02 0.85626E+01 -0.30929E+01 696 0.298E+01 0.115E+01
DAV: 7 -0.905465630528E+02 0.79848E+00 -0.17984E+00 704 0.640E+00 0.481E+00
DAV: 8 -0.901632140434E+02 0.38335E+00 -0.58736E-01 712 0.445E+00 0.167E+00
DAV: 9 -0.900758185929E+02 0.87395E-01 -0.13629E-01 720 0.164E+00 0.439E-01
DAV: 10 -0.900687529180E+02 0.70657E-02 -0.39142E-02 728 0.116E+00 0.304E-01
DAV: 11 -0.900726073020E+02 -0.38544E-02 -0.60324E-03 608 0.431E-01 0.148E-01
DAV: 12 -0.900759517881E+02 -0.33445E-02 -0.59776E-03 632 0.451E-01 0.120E-01
DAV: 13 -0.900787245626E+02 -0.27728E-02 -0.11416E-03 960 0.295E-01 0.752E-02
DAV: 14 -0.900817896032E+02 -0.30650E-02 -0.13748E-03 637 0.175E-01 0.501E-02
DAV: 15 -0.900838963059E+02 -0.21067E-02 -0.24235E-04 720 0.103E-01 0.305E-02
DAV: 16 -0.900854346916E+02 -0.15384E-02 -0.46889E-04 680 0.116E-01 0.314E-02
DAV: 17 -0.900862341594E+02 -0.79947E-03 -0.20675E-04 869 0.108E-01 0.115E-02
DAV: 18 -0.900864390997E+02 -0.20494E-03 -0.46830E-05 704 0.344E-02 0.100E-02
DAV: 19 -0.900866009997E+02 -0.16190E-03 -0.22171E-05 509 0.224E-02 0.444E-03
DAV: 20 -0.900866412778E+02 -0.40278E-04 -0.74708E-06 488 0.163E-02 0.245E-03
DAV: 21 -0.900866781143E+02 -0.36837E-04 -0.53970E-06 439 0.107E-02 0.222E-03
DAV: 22 -0.900866866934E+02 -0.85790E-05 -0.16333E-06 488 0.596E-03
1 F= -.90086687E+02 E0= -.90092237E+02 d E =0.166512E-01