./iterations/neb0_image07_iter94_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 0.376397145466E+03 0.37640E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.336328412253E+01 -0.37303E+03 -0.36106E+03 877 0.196E+02
DAV: 3 -0.963358731929E+02 -0.99699E+02 -0.99368E+02 664 0.117E+02
DAV: 4 -0.100865808587E+03 -0.45299E+01 -0.45192E+01 696 0.287E+01
DAV: 5 -0.100956827211E+03 -0.91019E-01 -0.90981E-01 728 0.365E+00 0.226E+01
DAV: 6 -0.923687221656E+02 0.85881E+01 -0.30715E+01 701 0.303E+01 0.118E+01
DAV: 7 -0.915126651193E+02 0.85606E+00 -0.16595E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.911322884365E+02 0.38038E+00 -0.56062E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.910485229124E+02 0.83766E-01 -0.13163E-01 728 0.155E+00 0.425E-01
DAV: 10 -0.910391514823E+02 0.93714E-02 -0.46970E-02 720 0.111E+00 0.307E-01
DAV: 11 -0.910436982468E+02 -0.45468E-02 -0.11841E-02 616 0.569E-01 0.136E-01
DAV: 12 -0.910469389406E+02 -0.32407E-02 -0.36498E-03 619 0.279E-01 0.147E-01
DAV: 13 -0.910506325289E+02 -0.36936E-02 -0.27460E-03 776 0.324E-01 0.557E-02
DAV: 14 -0.910531670140E+02 -0.25345E-02 -0.58290E-04 653 0.113E-01 0.578E-02
DAV: 15 -0.910557891008E+02 -0.26221E-02 -0.33758E-04 653 0.881E-02 0.308E-02
DAV: 16 -0.910567579916E+02 -0.96889E-03 -0.30023E-04 672 0.856E-02 0.254E-02
DAV: 17 -0.910573519087E+02 -0.59392E-03 -0.10580E-04 642 0.621E-02 0.108E-02
DAV: 18 -0.910574831722E+02 -0.13126E-03 -0.19617E-05 504 0.248E-02 0.689E-03
DAV: 19 -0.910575803131E+02 -0.97141E-04 -0.25294E-05 474 0.280E-02 0.480E-03
DAV: 20 -0.910575964303E+02 -0.16117E-04 -0.46393E-06 512 0.123E-02 0.423E-03
DAV: 21 -0.910576076581E+02 -0.11228E-04 -0.28143E-06 404 0.105E-02 0.182E-03
DAV: 22 -0.910576189945E+02 -0.11336E-04 -0.19876E-06 409 0.701E-03 0.937E-04
DAV: 23 -0.910576207005E+02 -0.17060E-05 -0.35936E-07 501 0.294E-03
1 F= -.91057621E+02 E0= -.91062361E+02 d E =0.142211E-01