./iterations/neb0_image01_iter276_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 0.362262758850E+03 0.36226E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.263097759271E+01 -0.35963E+03 -0.34730E+03 836 0.195E+02
DAV: 3 -0.956167753924E+02 -0.98248E+02 -0.97907E+02 661 0.115E+02
DAV: 4 -0.100186319996E+03 -0.45695E+01 -0.45566E+01 704 0.286E+01
DAV: 5 -0.100274618679E+03 -0.88299E-01 -0.88259E-01 728 0.360E+00 0.221E+01
DAV: 6 -0.916881018609E+02 0.85865E+01 -0.30953E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908914643980E+02 0.79664E+00 -0.18445E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905140748384E+02 0.37739E+00 -0.55197E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904280966008E+02 0.85978E-01 -0.13672E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904227921367E+02 0.53045E-02 -0.44720E-02 717 0.124E+00 0.313E-01
DAV: 11 -0.904264913391E+02 -0.36992E-02 -0.64017E-03 608 0.472E-01 0.145E-01
DAV: 12 -0.904299879042E+02 -0.34966E-02 -0.70370E-03 620 0.500E-01 0.127E-01
DAV: 13 -0.904326911276E+02 -0.27032E-02 -0.13872E-03 800 0.299E-01 0.769E-02
DAV: 14 -0.904357866349E+02 -0.30955E-02 -0.15801E-03 642 0.189E-01 0.604E-02
DAV: 15 -0.904378877416E+02 -0.21011E-02 -0.41576E-04 728 0.133E-01 0.450E-02
DAV: 16 -0.904392017099E+02 -0.13140E-02 -0.77537E-04 669 0.159E-01 0.370E-02
DAV: 17 -0.904400335101E+02 -0.83180E-03 -0.19278E-04 845 0.969E-02 0.210E-02
DAV: 18 -0.904401686904E+02 -0.13518E-03 -0.41365E-05 720 0.325E-02 0.141E-02
DAV: 19 -0.904404195575E+02 -0.25087E-03 -0.63248E-05 617 0.421E-02 0.572E-03
DAV: 20 -0.904404510257E+02 -0.31468E-04 -0.45858E-06 488 0.133E-02 0.539E-03
DAV: 21 -0.904404947405E+02 -0.43715E-04 -0.64854E-06 411 0.148E-02 0.282E-03
DAV: 22 -0.904405087876E+02 -0.14047E-04 -0.29739E-06 480 0.786E-03 0.204E-03
DAV: 23 -0.904405115377E+02 -0.27501E-05 -0.68668E-07 520 0.476E-03
1 F= -.90440512E+02 E0= -.90445625E+02 d E =0.153411E-01