iterations/neb0_image03_iter107_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 0.367065778031E+03 0.36707E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.338866498035E+01 -0.36368E+03 -0.35029E+03 837 0.195E+02
DAV: 3 -0.955943420720E+02 -0.98983E+02 -0.98665E+02 664 0.116E+02
DAV: 4 -0.100194092961E+03 -0.45998E+01 -0.45900E+01 712 0.288E+01
DAV: 5 -0.100285531987E+03 -0.91439E-01 -0.91402E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916801414127E+02 0.86054E+01 -0.30647E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908317850845E+02 0.84836E+00 -0.18296E+00 704 0.642E+00 0.483E+00
DAV: 8 -0.904282126759E+02 0.40357E+00 -0.56861E-01 688 0.437E+00 0.167E+00
DAV: 9 -0.903331511882E+02 0.95061E-01 -0.13328E-01 696 0.185E+00 0.462E-01
DAV: 10 -0.903244706572E+02 0.86805E-02 -0.39781E-02 728 0.104E+00 0.338E-01
DAV: 11 -0.903269166904E+02 -0.24460E-02 -0.65036E-03 728 0.579E-01 0.135E-01
DAV: 12 -0.903292129240E+02 -0.22962E-02 -0.40379E-03 626 0.320E-01 0.115E-01
DAV: 13 -0.903341558585E+02 -0.49429E-02 -0.30734E-03 664 0.351E-01 0.844E-02
DAV: 14 -0.903382096791E+02 -0.40538E-02 -0.81089E-04 653 0.178E-01 0.485E-02
DAV: 15 -0.903402215754E+02 -0.20119E-02 -0.56391E-04 696 0.131E-01 0.284E-02
DAV: 16 -0.903416189807E+02 -0.13974E-02 -0.14885E-04 725 0.811E-02 0.114E-02
DAV: 17 -0.903426225890E+02 -0.10036E-02 -0.11647E-04 672 0.424E-02 0.809E-03
DAV: 18 -0.903429105129E+02 -0.28792E-03 -0.33681E-05 600 0.251E-02 0.471E-03
DAV: 19 -0.903430153397E+02 -0.10483E-03 -0.86607E-06 455 0.129E-02 0.375E-03
DAV: 20 -0.903430509301E+02 -0.35590E-04 -0.43461E-06 456 0.895E-03 0.201E-03
DAV: 21 -0.903430648290E+02 -0.13899E-04 -0.29825E-06 472 0.911E-03 0.167E-03
DAV: 22 -0.903430686663E+02 -0.38374E-05 -0.92675E-07 464 0.663E-03
1 F= -.90343069E+02 E0= -.90351595E+02 d E =0.255804E-01