iterations/neb0_image04_iter127_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 0.369677487114E+03 0.36968E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.464243017574E+01 -0.36504E+03 -0.35186E+03 850 0.195E+02
DAV: 3 -0.954335437501E+02 -0.10008E+03 -0.99743E+02 685 0.116E+02
DAV: 4 -0.999158685802E+02 -0.44823E+01 -0.44710E+01 712 0.279E+01
DAV: 5 -0.100003293287E+03 -0.87425E-01 -0.87385E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914573833378E+02 0.85459E+01 -0.30122E+01 690 0.295E+01 0.116E+01
DAV: 7 -0.906013325761E+02 0.85605E+00 -0.17629E+00 720 0.628E+00 0.479E+00
DAV: 8 -0.902024124157E+02 0.39892E+00 -0.55748E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.901084248112E+02 0.93988E-01 -0.13133E-01 720 0.176E+00 0.440E-01
DAV: 10 -0.900991100929E+02 0.93147E-02 -0.55349E-02 712 0.133E+00 0.349E-01
DAV: 11 -0.901032613138E+02 -0.41512E-02 -0.15968E-02 624 0.772E-01 0.160E-01
DAV: 12 -0.901039037332E+02 -0.64242E-03 -0.43848E-03 645 0.384E-01 0.132E-01
DAV: 13 -0.901080239697E+02 -0.41202E-02 -0.63903E-03 743 0.617E-01 0.105E-01
DAV: 14 -0.901106129947E+02 -0.25890E-02 -0.16290E-03 680 0.239E-01 0.751E-02
DAV: 15 -0.901127223961E+02 -0.21094E-02 -0.79118E-04 663 0.156E-01 0.301E-02
DAV: 16 -0.901145990932E+02 -0.18767E-02 -0.29472E-04 674 0.862E-02 0.278E-02
DAV: 17 -0.901157645236E+02 -0.11654E-02 -0.10316E-04 594 0.414E-02 0.217E-02
DAV: 18 -0.901163354783E+02 -0.57095E-03 -0.22049E-04 645 0.862E-02 0.152E-02
DAV: 19 -0.901163986774E+02 -0.63199E-04 -0.17872E-05 520 0.253E-02 0.143E-02
DAV: 20 -0.901164535610E+02 -0.54884E-04 -0.20302E-05 420 0.298E-02 0.564E-03
DAV: 21 -0.901164976884E+02 -0.44127E-04 -0.93910E-06 453 0.183E-02 0.259E-03
DAV: 22 -0.901165191169E+02 -0.21428E-04 -0.63989E-06 453 0.141E-02 0.281E-03
DAV: 23 -0.901165295409E+02 -0.10424E-04 -0.23468E-06 458 0.790E-03 0.222E-03
DAV: 24 -0.901165316366E+02 -0.20957E-05 -0.76245E-07 472 0.523E-03
1 F= -.90116532E+02 E0= -.90120772E+02 d E =0.127206E-01