./iterations/neb0_image04_iter81_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 0.370990330319E+03 0.37099E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.446195333530E+01 -0.36653E+03 -0.35372E+03 850 0.195E+02
DAV: 3 -0.954452549014E+02 -0.99907E+02 -0.99596E+02 682 0.117E+02
DAV: 4 -0.998004005483E+02 -0.43551E+01 -0.43448E+01 712 0.278E+01
DAV: 5 -0.998834677741E+02 -0.83067E-01 -0.83033E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.913918392239E+02 0.84916E+01 -0.29977E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905342341267E+02 0.85761E+00 -0.17262E+00 720 0.626E+00 0.479E+00
DAV: 8 -0.901357463551E+02 0.39849E+00 -0.55804E-01 712 0.423E+00 0.164E+00
DAV: 9 -0.900415299216E+02 0.94216E-01 -0.13564E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.900323417388E+02 0.91882E-02 -0.55790E-02 712 0.131E+00 0.342E-01
DAV: 11 -0.900363534212E+02 -0.40117E-02 -0.11816E-02 602 0.619E-01 0.131E-01
DAV: 12 -0.900389719794E+02 -0.26186E-02 -0.45905E-03 639 0.309E-01 0.131E-01
DAV: 13 -0.900425414322E+02 -0.35695E-02 -0.17602E-03 853 0.331E-01 0.727E-02
DAV: 14 -0.900458495418E+02 -0.33081E-02 -0.11130E-03 642 0.155E-01 0.552E-02
DAV: 15 -0.900485117429E+02 -0.26622E-02 -0.40232E-04 722 0.109E-01 0.406E-02
DAV: 16 -0.900499373503E+02 -0.14256E-02 -0.54476E-04 688 0.126E-01 0.309E-02
DAV: 17 -0.900507538549E+02 -0.81650E-03 -0.19015E-04 855 0.901E-02 0.135E-02
DAV: 18 -0.900510201991E+02 -0.26634E-03 -0.37379E-05 600 0.361E-02 0.731E-03
DAV: 19 -0.900511955300E+02 -0.17533E-03 -0.25386E-05 521 0.208E-02 0.366E-03
DAV: 20 -0.900512082796E+02 -0.12750E-04 -0.25804E-06 528 0.112E-02 0.347E-03
DAV: 21 -0.900512593010E+02 -0.51021E-04 -0.68404E-06 406 0.124E-02 0.248E-03
DAV: 22 -0.900512676011E+02 -0.83000E-05 -0.16404E-06 485 0.669E-03
1 F= -.90051268E+02 E0= -.90055378E+02 d E =0.123314E-01