iterations/neb0_image05_iter264_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 0.367356479314E+03 0.36736E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.448382327729E+01 -0.36287E+03 -0.34920E+03 845 0.195E+02
DAV: 3 -0.953661641005E+02 -0.99850E+02 -0.99500E+02 653 0.117E+02
DAV: 4 -0.100162695265E+03 -0.47965E+01 -0.47853E+01 712 0.298E+01
DAV: 5 -0.100256421754E+03 -0.93726E-01 -0.93682E-01 728 0.375E+00 0.222E+01
DAV: 6 -0.916140214771E+02 0.86424E+01 -0.31182E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907920904058E+02 0.82193E+00 -0.17692E+00 712 0.626E+00 0.483E+00
DAV: 8 -0.904143286476E+02 0.37776E+00 -0.55245E-01 728 0.428E+00 0.167E+00
DAV: 9 -0.903272983112E+02 0.87030E-01 -0.12734E-01 728 0.167E+00 0.431E-01
DAV: 10 -0.903194558831E+02 0.78424E-02 -0.43166E-02 728 0.114E+00 0.321E-01
DAV: 11 -0.903221915008E+02 -0.27356E-02 -0.87570E-03 608 0.710E-01 0.145E-01
DAV: 12 -0.903230614621E+02 -0.86996E-03 -0.68091E-03 680 0.512E-01 0.128E-01
DAV: 13 -0.903253065950E+02 -0.22451E-02 -0.19333E-03 784 0.306E-01 0.988E-02
DAV: 14 -0.903278927218E+02 -0.25861E-02 -0.85940E-04 650 0.174E-01 0.609E-02
DAV: 15 -0.903311956749E+02 -0.33030E-02 -0.47325E-04 651 0.129E-01 0.455E-02
DAV: 16 -0.903332560564E+02 -0.20604E-02 -0.74503E-04 704 0.155E-01 0.498E-02
DAV: 17 -0.903341647799E+02 -0.90872E-03 -0.20782E-04 928 0.111E-01 0.359E-02
DAV: 18 -0.903343414054E+02 -0.17663E-03 -0.11707E-04 736 0.627E-02 0.145E-02
DAV: 19 -0.903351581741E+02 -0.81677E-03 -0.85715E-05 569 0.406E-02 0.144E-02
DAV: 20 -0.903354597702E+02 -0.30160E-03 -0.37603E-05 600 0.394E-02 0.843E-03
DAV: 21 -0.903355675619E+02 -0.10779E-03 -0.32970E-05 658 0.300E-02 0.939E-03
DAV: 22 -0.903355923626E+02 -0.24801E-04 -0.63024E-06 474 0.210E-02 0.429E-03
DAV: 23 -0.903356117353E+02 -0.19373E-04 -0.10645E-05 446 0.187E-02 0.316E-03
DAV: 24 -0.903356165326E+02 -0.47973E-05 -0.18852E-06 458 0.705E-03
1 F= -.90335617E+02 E0= -.90344050E+02 d E =0.252993E-01