./neb0_image05_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 0.368411602506E+03 0.36841E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.415213749324E+01 -0.36426E+03 -0.35089E+03 845 0.196E+02
DAV: 3 -0.953392298577E+02 -0.99491E+02 -0.99149E+02 645 0.117E+02
DAV: 4 -0.100120020669E+03 -0.47808E+01 -0.47686E+01 704 0.297E+01
DAV: 5 -0.100215167905E+03 -0.95147E-01 -0.95104E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.915519471980E+02 0.86632E+01 -0.31208E+01 680 0.301E+01 0.117E+01
DAV: 7 -0.907347459509E+02 0.81720E+00 -0.18020E+00 712 0.643E+00 0.484E+00
DAV: 8 -0.903548049247E+02 0.37994E+00 -0.53771E-01 720 0.423E+00 0.174E+00
DAV: 9 -0.902664865760E+02 0.88318E-01 -0.14250E-01 704 0.200E+00 0.568E-01
DAV: 10 -0.902568216652E+02 0.96649E-02 -0.11956E-02 744 0.961E-01 0.328E-01
DAV: 11 -0.902578181685E+02 -0.99650E-03 -0.31489E-02 760 0.111E+00 0.346E-01
DAV: 12 -0.902583627605E+02 -0.54459E-03 -0.37204E-03 760 0.571E-01 0.148E-01
DAV: 13 -0.902620604687E+02 -0.36977E-02 -0.63993E-03 607 0.425E-01 0.114E-01
DAV: 14 -0.902642606251E+02 -0.22002E-02 -0.88709E-04 626 0.181E-01 0.952E-02
DAV: 15 -0.902681290526E+02 -0.38684E-02 -0.22827E-03 655 0.313E-01 0.556E-02
DAV: 16 -0.902709992377E+02 -0.28702E-02 -0.66897E-04 818 0.199E-01 0.460E-02
DAV: 17 -0.902720964664E+02 -0.10972E-02 -0.18415E-04 688 0.929E-02 0.176E-02
DAV: 18 -0.902730643950E+02 -0.96793E-03 -0.16079E-04 682 0.657E-02 0.163E-02
DAV: 19 -0.902734825177E+02 -0.41812E-03 -0.55672E-05 600 0.399E-02 0.104E-02
DAV: 20 -0.902736210678E+02 -0.13855E-03 -0.28599E-05 568 0.357E-02 0.665E-03
DAV: 21 -0.902736862907E+02 -0.65223E-04 -0.85130E-06 431 0.169E-02 0.493E-03
DAV: 22 -0.902737176112E+02 -0.31321E-04 -0.59989E-06 472 0.139E-02 0.202E-03
DAV: 23 -0.902737282074E+02 -0.10596E-04 -0.48024E-06 453 0.124E-02 0.344E-03
DAV: 24 -0.902737296417E+02 -0.14343E-05 -0.11910E-06 520 0.743E-03
1 F= -.90273730E+02 E0= -.90281840E+02 d E =0.243301E-01