iterations/neb0_image09_iter146_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 0.374405566044E+03 0.37441E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.333477321038E+01 -0.37107E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.965872371295E+02 -0.99922E+02 -0.99590E+02 653 0.117E+02
DAV: 4 -0.101230535243E+03 -0.46433E+01 -0.46325E+01 720 0.292E+01
DAV: 5 -0.101322402712E+03 -0.91867E-01 -0.91827E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926697249551E+02 0.86527E+01 -0.30872E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.918042955657E+02 0.86543E+00 -0.17105E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914285855068E+02 0.37571E+00 -0.54472E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913474693898E+02 0.81116E-01 -0.13101E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913390847400E+02 0.83846E-02 -0.44004E-02 768 0.110E+00 0.300E-01
DAV: 11 -0.913432825399E+02 -0.41978E-02 -0.11436E-02 616 0.557E-01 0.130E-01
DAV: 12 -0.913464980316E+02 -0.32155E-02 -0.29131E-03 615 0.248E-01 0.106E-01
DAV: 13 -0.913501336290E+02 -0.36356E-02 -0.10363E-03 664 0.180E-01 0.470E-02
DAV: 14 -0.913534247627E+02 -0.32911E-02 -0.82590E-04 656 0.150E-01 0.410E-02
DAV: 15 -0.913548063061E+02 -0.13815E-02 -0.15864E-04 736 0.872E-02 0.350E-02
DAV: 16 -0.913562146636E+02 -0.14084E-02 -0.33366E-04 641 0.877E-02 0.172E-02
DAV: 17 -0.913566625095E+02 -0.44785E-03 -0.73533E-05 752 0.564E-02 0.129E-02
DAV: 18 -0.913569117377E+02 -0.24923E-03 -0.43012E-05 565 0.294E-02 0.909E-03
DAV: 19 -0.913569482564E+02 -0.36519E-04 -0.63350E-06 512 0.155E-02 0.447E-03
DAV: 20 -0.913569855433E+02 -0.37287E-04 -0.10540E-05 404 0.200E-02 0.279E-03
DAV: 21 -0.913569953552E+02 -0.98119E-05 -0.22576E-06 480 0.793E-03
1 F= -.91356995E+02 E0= -.91361729E+02 d E =0.142002E-01