iterations/neb0_image09_iter187_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 0.374324946880E+03 0.37432E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.324569527442E+01 -0.37108E+03 -0.35835E+03 869 0.196E+02
DAV: 3 -0.967487127601E+02 -0.99994E+02 -0.99663E+02 661 0.117E+02
DAV: 4 -0.101278716256E+03 -0.45300E+01 -0.45196E+01 720 0.287E+01
DAV: 5 -0.101367257597E+03 -0.88541E-01 -0.88501E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926840593718E+02 0.86832E+01 -0.30958E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918097410997E+02 0.87432E+00 -0.17244E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914334079268E+02 0.37633E+00 -0.54395E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913521617503E+02 0.81246E-01 -0.13147E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913439221965E+02 0.82396E-02 -0.44652E-02 776 0.111E+00 0.300E-01
DAV: 11 -0.913483384141E+02 -0.44162E-02 -0.12060E-02 624 0.573E-01 0.133E-01
DAV: 12 -0.913515329363E+02 -0.31945E-02 -0.29427E-03 623 0.240E-01 0.114E-01
DAV: 13 -0.913551633632E+02 -0.36304E-02 -0.15323E-03 725 0.217E-01 0.413E-02
DAV: 14 -0.913582393967E+02 -0.30760E-02 -0.50916E-04 664 0.119E-01 0.353E-02
DAV: 15 -0.913599296275E+02 -0.16902E-02 -0.14913E-04 656 0.742E-02 0.323E-02
DAV: 16 -0.913612051849E+02 -0.12756E-02 -0.33288E-04 664 0.891E-02 0.211E-02
DAV: 17 -0.913614719345E+02 -0.26675E-03 -0.70758E-05 752 0.612E-02 0.118E-02
DAV: 18 -0.913617311605E+02 -0.25923E-03 -0.43455E-05 586 0.276E-02 0.107E-02
DAV: 19 -0.913617903698E+02 -0.59209E-04 -0.77395E-06 496 0.186E-02 0.526E-03
DAV: 20 -0.913618274577E+02 -0.37088E-04 -0.21219E-05 488 0.282E-02 0.591E-03
DAV: 21 -0.913618363018E+02 -0.88441E-05 -0.27284E-06 504 0.119E-02
1 F= -.91361836E+02 E0= -.91366687E+02 d E =0.145514E-01