iterations/neb0_image06_iter294_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 0.375483375194E+03 0.37548E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.604262201842E+01 -0.36944E+03 -0.35687E+03 861 0.195E+02
DAV: 3 -0.942172536847E+02 -0.10026E+03 -0.99854E+02 656 0.116E+02
DAV: 4 -0.989668732687E+02 -0.47496E+01 -0.47298E+01 728 0.294E+01
DAV: 5 -0.990626001058E+02 -0.95727E-01 -0.95675E-01 728 0.378E+00 0.222E+01
DAV: 6 -0.906760913514E+02 0.83865E+01 -0.29798E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.898508779230E+02 0.82521E+00 -0.17055E+00 720 0.641E+00 0.482E+00
DAV: 8 -0.894560741131E+02 0.39480E+00 -0.58616E-01 712 0.424E+00 0.160E+00
DAV: 9 -0.893643875339E+02 0.91687E-01 -0.12834E-01 720 0.163E+00 0.441E-01
DAV: 10 -0.893534697748E+02 0.10918E-01 -0.38525E-02 704 0.978E-01 0.301E-01
DAV: 11 -0.893567510298E+02 -0.32813E-02 -0.10390E-02 608 0.557E-01 0.159E-01
DAV: 12 -0.893585147845E+02 -0.17638E-02 -0.29640E-03 680 0.347E-01 0.932E-02
DAV: 13 -0.893630982953E+02 -0.45835E-02 -0.27958E-03 631 0.267E-01 0.898E-02
DAV: 14 -0.893657997650E+02 -0.27015E-02 -0.10112E-03 808 0.248E-01 0.343E-02
DAV: 15 -0.893686507054E+02 -0.28509E-02 -0.52042E-04 631 0.115E-01 0.379E-02
DAV: 16 -0.893706086910E+02 -0.19580E-02 -0.23824E-04 693 0.863E-02 0.186E-02
DAV: 17 -0.893717521558E+02 -0.11435E-02 -0.23736E-04 677 0.755E-02 0.196E-02
DAV: 18 -0.893720452295E+02 -0.29307E-03 -0.39446E-05 672 0.430E-02 0.744E-03
DAV: 19 -0.893721372356E+02 -0.92006E-04 -0.16968E-05 480 0.237E-02 0.245E-03
DAV: 20 -0.893722069945E+02 -0.69759E-04 -0.83778E-06 423 0.118E-02 0.302E-03
DAV: 21 -0.893722221196E+02 -0.15125E-04 -0.15260E-06 496 0.675E-03 0.238E-03
DAV: 22 -0.893722376221E+02 -0.15502E-04 -0.33904E-06 401 0.100E-02 0.162E-03
DAV: 23 -0.893722382256E+02 -0.60353E-06 -0.67979E-07 536 0.555E-03
1 F= -.89372238E+02 E0= -.89378321E+02 d E =0.182470E-01