./iterations/neb0_image04_iter283_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 0.365555682623E+03 0.36556E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.161375154742E+00 -0.36539E+03 -0.35443E+03 863 0.195E+02
DAV: 3 -0.960607784870E+02 -0.96222E+02 -0.95928E+02 656 0.116E+02
DAV: 4 -0.100362766194E+03 -0.43020E+01 -0.42937E+01 712 0.279E+01
DAV: 5 -0.100447521902E+03 -0.84756E-01 -0.84729E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916836864270E+02 0.87638E+01 -0.31590E+01 669 0.301E+01 0.117E+01
DAV: 7 -0.908411050819E+02 0.84258E+00 -0.18350E+00 720 0.660E+00 0.485E+00
DAV: 8 -0.904290015016E+02 0.41210E+00 -0.53746E-01 696 0.448E+00 0.178E+00
DAV: 9 -0.903356783067E+02 0.93323E-01 -0.17175E-01 712 0.200E+00 0.539E-01
DAV: 10 -0.903240451590E+02 0.11633E-01 -0.34588E-02 720 0.103E+00 0.337E-01
DAV: 11 -0.903258783718E+02 -0.18332E-02 -0.99279E-03 664 0.533E-01 0.192E-01
DAV: 12 -0.903294144329E+02 -0.35361E-02 -0.47044E-03 621 0.406E-01 0.108E-01
DAV: 13 -0.903326130330E+02 -0.31986E-02 -0.10472E-03 634 0.198E-01 0.798E-02
DAV: 14 -0.903366887628E+02 -0.40757E-02 -0.18610E-03 631 0.225E-01 0.542E-02
DAV: 15 -0.903390049062E+02 -0.23161E-02 -0.55354E-04 800 0.204E-01 0.230E-02
DAV: 16 -0.903405842202E+02 -0.15793E-02 -0.35637E-04 661 0.841E-02 0.307E-02
DAV: 17 -0.903412955617E+02 -0.71134E-03 -0.13118E-04 800 0.839E-02 0.987E-03
DAV: 18 -0.903419513544E+02 -0.65579E-03 -0.13715E-04 632 0.636E-02 0.167E-02
DAV: 19 -0.903420464818E+02 -0.95127E-04 -0.85681E-06 520 0.221E-02 0.132E-02
DAV: 20 -0.903421039294E+02 -0.57448E-04 -0.17268E-05 417 0.278E-02 0.490E-03
DAV: 21 -0.903421698035E+02 -0.65874E-04 -0.21269E-05 502 0.243E-02 0.505E-03
DAV: 22 -0.903421768950E+02 -0.70915E-05 -0.21478E-06 536 0.900E-03
1 F= -.90342177E+02 E0= -.90350394E+02 d E =0.246502E-01