iterations/neb0_image09_iter89_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 0.374470452500E+03 0.37447E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.249744862776E+01 -0.37197E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966787268106E+02 -0.99176E+02 -0.98837E+02 656 0.117E+02
DAV: 4 -0.101220268233E+03 -0.45415E+01 -0.45322E+01 696 0.289E+01
DAV: 5 -0.101310326541E+03 -0.90058E-01 -0.90019E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926660362924E+02 0.86443E+01 -0.30839E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918007278750E+02 0.86531E+00 -0.17121E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914238679189E+02 0.37686E+00 -0.54628E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913417287067E+02 0.82139E-01 -0.13040E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913328343548E+02 0.88944E-02 -0.45588E-02 760 0.112E+00 0.303E-01
DAV: 11 -0.913373556114E+02 -0.45213E-02 -0.12901E-02 613 0.590E-01 0.144E-01
DAV: 12 -0.913403713508E+02 -0.30157E-02 -0.30288E-03 620 0.246E-01 0.115E-01
DAV: 13 -0.913441239635E+02 -0.37526E-02 -0.15421E-03 728 0.218E-01 0.436E-02
DAV: 14 -0.913474633245E+02 -0.33394E-02 -0.59397E-04 661 0.133E-01 0.349E-02
DAV: 15 -0.913489722598E+02 -0.15089E-02 -0.15202E-04 696 0.769E-02 0.363E-02
DAV: 16 -0.913502677517E+02 -0.12955E-02 -0.35719E-04 647 0.959E-02 0.201E-02
DAV: 17 -0.913505470509E+02 -0.27930E-03 -0.50727E-05 688 0.529E-02 0.135E-02
DAV: 18 -0.913508255073E+02 -0.27846E-03 -0.52013E-05 588 0.339E-02 0.112E-02
DAV: 19 -0.913508958921E+02 -0.70385E-04 -0.88947E-06 480 0.184E-02 0.519E-03
DAV: 20 -0.913509327596E+02 -0.36868E-04 -0.11489E-05 445 0.203E-02 0.240E-03
DAV: 21 -0.913509510520E+02 -0.18292E-04 -0.31623E-06 450 0.858E-03 0.259E-03
DAV: 22 -0.913509561102E+02 -0.50582E-05 -0.87201E-07 436 0.541E-03
1 F= -.91350956E+02 E0= -.91355808E+02 d E =0.145547E-01