TAD : identifying the transition/event

LAMMPS LAMMPS Mailing List Mirror
1

Hi,

For TAD, I have a specific question.
TAD output gives information about the executed events, the corresponding barrier energies, ratio of time etc.

Does it also give information about the executed event or transition ? In other words, does it give information about which atom makes the jump and also is there any correlated jumps etc ?

Thanks,

2

Aidan can answer this.

Steve

3

I think you answered your question nicely in the preamble:

“TAD output gives information about the executed events, the corresponding barrier energies, ratio of time etc.”

For more specifics, read the doc page.

Aidan