iterations/neb0_image08_iter179_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 0.374038624434E+03 0.37404E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.354416014325E+01 -0.37049E+03 -0.35831E+03 863 0.196E+02
DAV: 3 -0.967628940278E+02 -0.10031E+03 -0.10000E+03 677 0.117E+02
DAV: 4 -0.101264375066E+03 -0.45015E+01 -0.44888E+01 712 0.283E+01
DAV: 5 -0.101352643200E+03 -0.88268E-01 -0.88211E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926652952124E+02 0.86873E+01 -0.30934E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917887039511E+02 0.87659E+00 -0.17260E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914121390091E+02 0.37656E+00 -0.54793E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913325583262E+02 0.79581E-01 -0.13011E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913245378086E+02 0.80205E-02 -0.44499E-02 752 0.110E+00 0.300E-01
DAV: 11 -0.913292811860E+02 -0.47434E-02 -0.13106E-02 608 0.596E-01 0.143E-01
DAV: 12 -0.913322586543E+02 -0.29775E-02 -0.28405E-03 633 0.249E-01 0.103E-01
DAV: 13 -0.913356204984E+02 -0.33618E-02 -0.14634E-03 634 0.200E-01 0.439E-02
DAV: 14 -0.913389776376E+02 -0.33571E-02 -0.79398E-04 661 0.185E-01 0.368E-02
DAV: 15 -0.913400557541E+02 -0.10781E-02 -0.22179E-04 680 0.962E-02 0.336E-02
DAV: 16 -0.913411489616E+02 -0.10932E-02 -0.23908E-04 653 0.868E-02 0.120E-02
DAV: 17 -0.913418671892E+02 -0.71823E-03 -0.66732E-05 653 0.378E-02 0.137E-02
DAV: 18 -0.913421390660E+02 -0.27188E-03 -0.43185E-05 608 0.359E-02 0.753E-03
DAV: 19 -0.913422142244E+02 -0.75158E-04 -0.12876E-05 456 0.195E-02 0.550E-03
DAV: 20 -0.913422458669E+02 -0.31643E-04 -0.56987E-06 460 0.119E-02 0.387E-03
DAV: 21 -0.913422547214E+02 -0.88545E-05 -0.17698E-06 472 0.934E-03
1 F= -.91342255E+02 E0= -.91347291E+02 d E =0.151099E-01