iterations/neb0_image08_iter63_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 0.376525084853E+03 0.37653E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.385138461678E+01 -0.37267E+03 -0.35900E+03 869 0.196E+02
DAV: 3 -0.967876945258E+02 -0.10064E+03 -0.10031E+03 688 0.117E+02
DAV: 4 -0.101131129450E+03 -0.43434E+01 -0.43336E+01 696 0.276E+01
DAV: 5 -0.101215941621E+03 -0.84812E-01 -0.84775E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925734858857E+02 0.86425E+01 -0.30827E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916981955849E+02 0.87529E+00 -0.16870E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913170867746E+02 0.38111E+00 -0.55861E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912329410014E+02 0.84146E-01 -0.12949E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912233207581E+02 0.96202E-02 -0.48268E-02 720 0.113E+00 0.312E-01
DAV: 11 -0.912283217288E+02 -0.50010E-02 -0.15345E-02 608 0.639E-01 0.169E-01
DAV: 12 -0.912311401488E+02 -0.28184E-02 -0.33109E-03 630 0.250E-01 0.136E-01
DAV: 13 -0.912351079783E+02 -0.39678E-02 -0.26794E-03 693 0.297E-01 0.521E-02
DAV: 14 -0.912380556080E+02 -0.29476E-02 -0.49177E-04 656 0.115E-01 0.400E-02
DAV: 15 -0.912402766881E+02 -0.22211E-02 -0.19331E-04 581 0.592E-02 0.313E-02
DAV: 16 -0.912414078485E+02 -0.11312E-02 -0.36271E-04 666 0.932E-02 0.254E-02
DAV: 17 -0.912416237967E+02 -0.21595E-03 -0.38351E-05 616 0.445E-02 0.147E-02
DAV: 18 -0.912418777867E+02 -0.25399E-03 -0.69249E-05 617 0.396E-02 0.932E-03
DAV: 19 -0.912419083818E+02 -0.30595E-04 -0.69700E-06 520 0.233E-02 0.432E-03
DAV: 20 -0.912419478283E+02 -0.39447E-04 -0.19605E-05 454 0.258E-02 0.660E-03
DAV: 21 -0.912419636897E+02 -0.15861E-04 -0.25789E-06 472 0.123E-02 0.444E-03
DAV: 22 -0.912419703129E+02 -0.66232E-05 -0.27480E-06 420 0.949E-03
1 F= -.91241970E+02 E0= -.91246960E+02 d E =0.149705E-01