iterations/neb0_image03_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 0.363494854111E+03 0.36349E+03 -0.14322E+04 632 0.799E+02
DAV: 2 -0.121817655564E+00 -0.36362E+03 -0.35370E+03 858 0.195E+02
DAV: 3 -0.960359571275E+02 -0.95914E+02 -0.95604E+02 669 0.115E+02
DAV: 4 -0.100253409176E+03 -0.42175E+01 -0.42057E+01 712 0.273E+01
DAV: 5 -0.100337144333E+03 -0.83735E-01 -0.83700E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917181530477E+02 0.86190E+01 -0.31007E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908830524825E+02 0.83510E+00 -0.18213E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.904885924047E+02 0.39446E+00 -0.56277E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903934273424E+02 0.95165E-01 -0.12801E-01 704 0.178E+00 0.442E-01
DAV: 10 -0.903856494665E+02 0.77779E-02 -0.44865E-02 728 0.113E+00 0.339E-01
DAV: 11 -0.903895933724E+02 -0.39439E-02 -0.10625E-02 624 0.711E-01 0.136E-01
DAV: 12 -0.903918357195E+02 -0.22423E-02 -0.48510E-03 621 0.369E-01 0.119E-01
DAV: 13 -0.903963707665E+02 -0.45350E-02 -0.33555E-03 650 0.385E-01 0.885E-02
DAV: 14 -0.903997518586E+02 -0.33811E-02 -0.96594E-04 661 0.165E-01 0.534E-02
DAV: 15 -0.904020439363E+02 -0.22921E-02 -0.58393E-04 650 0.131E-01 0.222E-02
DAV: 16 -0.904037022345E+02 -0.16583E-02 -0.17329E-04 672 0.696E-02 0.200E-02
DAV: 17 -0.904042694033E+02 -0.56717E-03 -0.65159E-05 712 0.541E-02 0.115E-02
DAV: 18 -0.904048456307E+02 -0.57623E-03 -0.11491E-04 668 0.632E-02 0.126E-02
DAV: 19 -0.904049202415E+02 -0.74611E-04 -0.10648E-05 504 0.285E-02 0.796E-03
DAV: 20 -0.904049966469E+02 -0.76405E-04 -0.41500E-05 634 0.372E-02 0.780E-03
DAV: 21 -0.904050523736E+02 -0.55727E-04 -0.68271E-06 447 0.221E-02 0.381E-03
DAV: 22 -0.904050774840E+02 -0.25110E-04 -0.76052E-06 456 0.128E-02 0.133E-03
DAV: 23 -0.904050854619E+02 -0.79779E-05 -0.27939E-06 434 0.952E-03
1 F= -.90405085E+02 E0= -.90412288E+02 d E =0.216063E-01