iterations/neb0_image01_iter99_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 0.366546166167E+03 0.36655E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.342262645311E+01 -0.36312E+03 -0.34977E+03 839 0.195E+02
DAV: 3 -0.957371291955E+02 -0.99160E+02 -0.98818E+02 680 0.116E+02
DAV: 4 -0.100203618742E+03 -0.44665E+01 -0.44574E+01 677 0.283E+01
DAV: 5 -0.100292135306E+03 -0.88517E-01 -0.88462E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916773949255E+02 0.86147E+01 -0.31160E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908682910546E+02 0.80910E+00 -0.18202E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904888326144E+02 0.37946E+00 -0.55426E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.904039048060E+02 0.84928E-01 -0.13571E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903986025440E+02 0.53023E-02 -0.46015E-02 720 0.124E+00 0.317E-01
DAV: 11 -0.904025481418E+02 -0.39456E-02 -0.69484E-03 608 0.492E-01 0.137E-01
DAV: 12 -0.904060848024E+02 -0.35367E-02 -0.68093E-03 629 0.471E-01 0.128E-01
DAV: 13 -0.904087073946E+02 -0.26226E-02 -0.14348E-03 848 0.311E-01 0.759E-02
DAV: 14 -0.904117053436E+02 -0.29979E-02 -0.14280E-03 634 0.180E-01 0.598E-02
DAV: 15 -0.904137271243E+02 -0.20218E-02 -0.38399E-04 688 0.121E-01 0.465E-02
DAV: 16 -0.904150536762E+02 -0.13266E-02 -0.80480E-04 653 0.166E-01 0.366E-02
DAV: 17 -0.904158904945E+02 -0.83682E-03 -0.18099E-04 821 0.949E-02 0.227E-02
DAV: 18 -0.904160291742E+02 -0.13868E-03 -0.42737E-05 704 0.331E-02 0.145E-02
DAV: 19 -0.904162907044E+02 -0.26153E-03 -0.65140E-05 633 0.416E-02 0.607E-03
DAV: 20 -0.904163181189E+02 -0.27415E-04 -0.57739E-06 480 0.156E-02 0.590E-03
DAV: 21 -0.904163534079E+02 -0.35289E-04 -0.76135E-06 436 0.175E-02 0.514E-03
DAV: 22 -0.904163767231E+02 -0.23315E-04 -0.39812E-06 461 0.113E-02 0.367E-03
DAV: 23 -0.904163792744E+02 -0.25513E-05 -0.35859E-06 528 0.106E-02
1 F= -.90416379E+02 E0= -.90421499E+02 d E =0.153581E-01