./iterations/neb0_image04_iter101_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 0.370279037227E+03 0.37028E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.429118092185E+01 -0.36599E+03 -0.35310E+03 850 0.195E+02
DAV: 3 -0.952776754025E+02 -0.99569E+02 -0.99248E+02 669 0.116E+02
DAV: 4 -0.998165523202E+02 -0.45389E+01 -0.45283E+01 704 0.286E+01
DAV: 5 -0.999055679971E+02 -0.89016E-01 -0.88976E-01 720 0.361E+00 0.221E+01
DAV: 6 -0.914132368046E+02 0.84923E+01 -0.29967E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905620208420E+02 0.85122E+00 -0.17280E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901644393784E+02 0.39758E+00 -0.55639E-01 728 0.421E+00 0.164E+00
DAV: 9 -0.900699273861E+02 0.94512E-01 -0.13262E-01 720 0.175E+00 0.437E-01
DAV: 10 -0.900605703643E+02 0.93570E-02 -0.58819E-02 704 0.138E+00 0.352E-01
DAV: 11 -0.900646789803E+02 -0.41086E-02 -0.14043E-02 616 0.701E-01 0.140E-01
DAV: 12 -0.900667400062E+02 -0.20610E-02 -0.50458E-03 650 0.319E-01 0.140E-01
DAV: 13 -0.900701323713E+02 -0.33924E-02 -0.21566E-03 837 0.367E-01 0.771E-02
DAV: 14 -0.900738621549E+02 -0.37298E-02 -0.13853E-03 658 0.183E-01 0.650E-02
DAV: 15 -0.900762031627E+02 -0.23410E-02 -0.31792E-04 730 0.110E-01 0.413E-02
DAV: 16 -0.900778759347E+02 -0.16728E-02 -0.66818E-04 677 0.143E-01 0.331E-02
DAV: 17 -0.900788426053E+02 -0.96667E-03 -0.21947E-04 847 0.994E-02 0.143E-02
DAV: 18 -0.900791651966E+02 -0.32259E-03 -0.49639E-05 605 0.352E-02 0.753E-03
DAV: 19 -0.900793360017E+02 -0.17081E-03 -0.25506E-05 500 0.206E-02 0.377E-03
DAV: 20 -0.900793727319E+02 -0.36730E-04 -0.32093E-06 496 0.111E-02 0.346E-03
DAV: 21 -0.900793954713E+02 -0.22739E-04 -0.31395E-06 392 0.713E-03 0.201E-03
DAV: 22 -0.900793989205E+02 -0.34492E-05 -0.16523E-06 496 0.808E-03
1 F= -.90079399E+02 E0= -.90083487E+02 d E =0.122628E-01