iterations/neb0_image01_iter81_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 0.366768301558E+03 0.36677E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.344962569426E+01 -0.36332E+03 -0.34991E+03 839 0.195E+02
DAV: 3 -0.957941117364E+02 -0.99244E+02 -0.98904E+02 688 0.116E+02
DAV: 4 -0.100209522862E+03 -0.44154E+01 -0.44062E+01 693 0.278E+01
DAV: 5 -0.100296674980E+03 -0.87152E-01 -0.87102E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916786611849E+02 0.86180E+01 -0.31183E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908654930856E+02 0.81317E+00 -0.18168E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904844191780E+02 0.38107E+00 -0.55605E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.903994587456E+02 0.84960E-01 -0.13690E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903939455848E+02 0.55132E-02 -0.46359E-02 720 0.127E+00 0.318E-01
DAV: 11 -0.903977087998E+02 -0.37632E-02 -0.67515E-03 616 0.479E-01 0.147E-01
DAV: 12 -0.904012807609E+02 -0.35720E-02 -0.72608E-03 613 0.493E-01 0.129E-01
DAV: 13 -0.904040516712E+02 -0.27709E-02 -0.14410E-03 848 0.312E-01 0.776E-02
DAV: 14 -0.904069140460E+02 -0.28624E-02 -0.13957E-03 634 0.179E-01 0.585E-02
DAV: 15 -0.904090966298E+02 -0.21826E-02 -0.42109E-04 672 0.121E-01 0.461E-02
DAV: 16 -0.904104125319E+02 -0.13159E-02 -0.72025E-04 661 0.157E-01 0.343E-02
DAV: 17 -0.904112436466E+02 -0.83111E-03 -0.17005E-04 813 0.918E-02 0.207E-02
DAV: 18 -0.904114141916E+02 -0.17054E-03 -0.42120E-05 704 0.326E-02 0.132E-02
DAV: 19 -0.904116604510E+02 -0.24626E-03 -0.57530E-05 636 0.379E-02 0.519E-03
DAV: 20 -0.904116848371E+02 -0.24386E-04 -0.46031E-06 488 0.137E-02 0.565E-03
DAV: 21 -0.904117197524E+02 -0.34915E-04 -0.54280E-06 409 0.143E-02 0.438E-03
DAV: 22 -0.904117407321E+02 -0.20980E-04 -0.39835E-06 477 0.115E-02 0.272E-03
DAV: 23 -0.904117433627E+02 -0.26306E-05 -0.35435E-06 520 0.104E-02
1 F= -.90411743E+02 E0= -.90416948E+02 d E =0.156149E-01