iterations/neb0_image03_iter278_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 0.363682937940E+03 0.36368E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.179740701668E+01 -0.36189E+03 -0.34909E+03 845 0.195E+02
DAV: 3 -0.960568716723E+02 -0.97854E+02 -0.97545E+02 677 0.116E+02
DAV: 4 -0.100340058036E+03 -0.42832E+01 -0.42729E+01 704 0.275E+01
DAV: 5 -0.100422836974E+03 -0.82779E-01 -0.82756E-01 736 0.344E+00 0.223E+01
DAV: 6 -0.917155800999E+02 0.87073E+01 -0.31421E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908731175765E+02 0.84246E+00 -0.18014E+00 712 0.632E+00 0.485E+00
DAV: 8 -0.904824582016E+02 0.39066E+00 -0.55619E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903923783491E+02 0.90080E-01 -0.13418E-01 712 0.169E+00 0.436E-01
DAV: 10 -0.903864242699E+02 0.59541E-02 -0.46901E-02 720 0.120E+00 0.333E-01
DAV: 11 -0.903904460072E+02 -0.40217E-02 -0.70893E-03 632 0.620E-01 0.119E-01
DAV: 12 -0.903937896961E+02 -0.33437E-02 -0.54866E-03 616 0.350E-01 0.119E-01
DAV: 13 -0.903979276920E+02 -0.41380E-02 -0.14189E-03 828 0.265E-01 0.831E-02
DAV: 14 -0.904012363170E+02 -0.33086E-02 -0.12175E-03 647 0.155E-01 0.543E-02
DAV: 15 -0.904033287131E+02 -0.20924E-02 -0.28190E-04 672 0.886E-02 0.270E-02
DAV: 16 -0.904048189948E+02 -0.14903E-02 -0.36857E-04 663 0.103E-01 0.274E-02
DAV: 17 -0.904053170935E+02 -0.49810E-03 -0.88913E-05 725 0.640E-02 0.129E-02
DAV: 18 -0.904056135779E+02 -0.29648E-03 -0.76833E-05 661 0.455E-02 0.125E-02
DAV: 19 -0.904057217285E+02 -0.10815E-03 -0.10925E-05 461 0.251E-02 0.674E-03
DAV: 20 -0.904057973782E+02 -0.75650E-04 -0.33289E-05 583 0.313E-02 0.657E-03
DAV: 21 -0.904058306326E+02 -0.33254E-04 -0.64535E-06 445 0.221E-02 0.197E-03
DAV: 22 -0.904058407348E+02 -0.10102E-04 -0.66906E-06 504 0.135E-02 0.369E-03
DAV: 23 -0.904058459869E+02 -0.52520E-05 -0.10116E-06 413 0.674E-03
1 F= -.90405846E+02 E0= -.90414010E+02 d E =0.244934E-01