There is currently a Tersoff type forcefield in GULP for two-body interactions. If I wanted to implement a Tersoff type potential for three-body interactions what is the syntax in the forcefield file? An example of the two-body is given below:
H core H core 86.71200 43.5310 3.78790 1.9800 0.8000 1.0000
Is it simple enough to write:
H core H core H core---- followed by the proper coefficients in the Tersoff forcefield?
Thanks in advance!
NS
H core H core 86.71200 43.5310 3.78790 1.9800 0.8000 1.0000
Is it simple enough to write:
H core H core H core---- followed by the proper coefficients in the Tersoff forcefield?
Thanks in advance!
NS
