./iterations/neb0_image04_iter50_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 0.371037805312E+03 0.37104E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.464158982057E+01 -0.36640E+03 -0.35374E+03 861 0.195E+02
DAV: 3 -0.951117451467E+02 -0.99753E+02 -0.99415E+02 677 0.116E+02
DAV: 4 -0.996200807590E+02 -0.45083E+01 -0.44957E+01 712 0.281E+01
DAV: 5 -0.997088847510E+02 -0.88804E-01 -0.88760E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.912086803809E+02 0.85002E+01 -0.30125E+01 690 0.296E+01 0.116E+01
DAV: 7 -0.903642997820E+02 0.84438E+00 -0.17596E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.899633640693E+02 0.40094E+00 -0.57383E-01 704 0.432E+00 0.166E+00
DAV: 9 -0.898689921782E+02 0.94372E-01 -0.13413E-01 720 0.174E+00 0.444E-01
DAV: 10 -0.898589268580E+02 0.10065E-01 -0.50627E-02 720 0.127E+00 0.340E-01
DAV: 11 -0.898626060348E+02 -0.36792E-02 -0.12795E-02 624 0.628E-01 0.141E-01
DAV: 12 -0.898642630724E+02 -0.16570E-02 -0.35218E-03 650 0.278E-01 0.121E-01
DAV: 13 -0.898689607648E+02 -0.46977E-02 -0.32431E-03 845 0.438E-01 0.751E-02
DAV: 14 -0.898718309033E+02 -0.28701E-02 -0.10491E-03 671 0.162E-01 0.607E-02
DAV: 15 -0.898738356435E+02 -0.20047E-02 -0.50858E-04 677 0.143E-01 0.261E-02
DAV: 16 -0.898756655311E+02 -0.18299E-02 -0.34005E-04 669 0.931E-02 0.307E-02
DAV: 17 -0.898764403391E+02 -0.77481E-03 -0.57610E-05 613 0.422E-02 0.231E-02
DAV: 18 -0.898768835711E+02 -0.44323E-03 -0.17358E-04 647 0.776E-02 0.125E-02
DAV: 19 -0.898769185428E+02 -0.34972E-04 -0.12544E-05 520 0.292E-02 0.790E-03
DAV: 20 -0.898770439237E+02 -0.12538E-03 -0.49568E-05 603 0.408E-02 0.910E-03
DAV: 21 -0.898770607171E+02 -0.16793E-04 -0.48214E-06 493 0.203E-02 0.520E-03
DAV: 22 -0.898770794366E+02 -0.18720E-04 -0.11763E-05 409 0.199E-02 0.344E-03
DAV: 23 -0.898770933151E+02 -0.13879E-04 -0.28722E-06 455 0.880E-03 0.399E-03
DAV: 24 -0.898770966986E+02 -0.33834E-05 -0.63059E-07 485 0.496E-03
1 F= -.89877097E+02 E0= -.89883015E+02 d E =0.177543E-01