./iterations/neb0_image06_iter156_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 0.371115945106E+03 0.37112E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.373930080079E+01 -0.36738E+03 -0.35574E+03 874 0.193E+02
DAV: 3 -0.960185100738E+02 -0.99758E+02 -0.99427E+02 690 0.116E+02
DAV: 4 -0.100492581481E+03 -0.44741E+01 -0.44613E+01 704 0.277E+01
DAV: 5 -0.100579909666E+03 -0.87328E-01 -0.87278E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.919691725912E+02 0.86107E+01 -0.30901E+01 717 0.305E+01 0.118E+01
DAV: 7 -0.911494694903E+02 0.81970E+00 -0.17454E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.907721016552E+02 0.37737E+00 -0.53124E-01 728 0.401E+00 0.170E+00
DAV: 9 -0.906793382429E+02 0.92763E-01 -0.13338E-01 720 0.159E+00 0.424E-01
DAV: 10 -0.906691890040E+02 0.10149E-01 -0.35348E-02 760 0.940E-01 0.279E-01
DAV: 11 -0.906730828196E+02 -0.38938E-02 -0.84216E-03 602 0.472E-01 0.138E-01
DAV: 12 -0.906758377094E+02 -0.27549E-02 -0.17337E-03 653 0.234E-01 0.876E-02
DAV: 13 -0.906800345204E+02 -0.41968E-02 -0.15781E-03 619 0.187E-01 0.604E-02
DAV: 14 -0.906833082332E+02 -0.32737E-02 -0.87177E-04 744 0.214E-01 0.341E-02
DAV: 15 -0.906852260011E+02 -0.19178E-02 -0.29386E-04 634 0.900E-02 0.395E-02
DAV: 16 -0.906864557590E+02 -0.12298E-02 -0.35883E-04 749 0.121E-01 0.212E-02
DAV: 17 -0.906872133627E+02 -0.75760E-03 -0.13231E-04 636 0.625E-02 0.172E-02
DAV: 18 -0.906874308742E+02 -0.21751E-03 -0.30889E-05 624 0.322E-02 0.875E-03
DAV: 19 -0.906876150627E+02 -0.18419E-03 -0.28937E-05 521 0.245E-02 0.354E-03
DAV: 20 -0.906876378724E+02 -0.22810E-04 -0.19781E-06 528 0.883E-03 0.222E-03
DAV: 21 -0.906876731850E+02 -0.35313E-04 -0.58322E-06 403 0.118E-02 0.182E-03
DAV: 22 -0.906876758635E+02 -0.26786E-05 -0.81342E-07 512 0.731E-03
1 F= -.90687676E+02 E0= -.90692222E+02 d E =0.136382E-01