Hi,

I currently use a pair potential with a hybrid overlay of an eam/fs and a zbl, using the following input.

pair_style hybrid/overlay eam/fs zbl 2.0 2.9

pair_coeff * * eam/fs Al-Fe.eam.fs Al Fe

pair_coeff * * zbl 0.0 0.0

pair_coeff 1 2 zbl 13.0 26.0

I only apply the current zbl distance to the pairs Al with Fe and no ZBL to other atoms. Is there a way to add another zbl, with a different cutoff distance that would only apply to the Fe-Fe interactions? for example something like

pair_style hybrid/overlay eam/fs zbl 2.0 2.9 zbl1 1.0 2.0

pair_coeff * * eam/fs Al-Fe.eam.fs Al Fe

pair_coeff * * zbl 0.0 0.0

pair_coeff 1 2 zbl 13.0 26.0

pair_coeff * * zbl1 0.0 0.0

pair_coeff 2 2 zbl1 26.0 26.0

Without overwriting the original zbl ?

Thanks in advance.

Hi,

I currently use a pair potential with a hybrid overlay of an eam/fs and a

zbl, using the following input.

pair_style hybrid/overlay eam/fs zbl 2.0 2.9

pair_coeff * * eam/fs Al-Fe.eam.fs Al Fe

pair_coeff * * zbl 0.0 0.0

pair_coeff 1 2 zbl 13.0 26.0

I only apply the current zbl distance to the pairs Al with Fe and no ZBL to

other atoms. Is there a way to add another zbl, with a different cutoff

distance that would only apply to the Fe-Fe interactions? for example

something like

pair_style hybrid/overlay eam/fs zbl 2.0 2.9 zbl1 1.0 2.0

pair_coeff * * eam/fs Al-Fe.eam.fs Al Fe

pair_coeff * * zbl 0.0 0.0

this is not needed.

pair_coeff 1 2 zbl 13.0 26.0

pair_coeff * * zbl1 0.0 0.0

also not needed with hybrid/overlay.

pair_coeff 2 2 zbl1 26.0 26.0

Without overwriting the original zbl ?

yes. please see the documentation for pair style hybrid/overlay. there

should be an example for using tersoff multiple times.

axel.

Hi Axel,

Thank you for replaying.

I've looked at the manual and forum and although I've seen that tersoff can be used multiple times, it doesn't mention a different cutoff distances only that it's applied to different pairs?

Is there a way to do this with just zbl and apply different cut off distances?

Thanks in advance

Hi Axel,

Thank you for replaying.

I've looked at the manual and forum and although I've seen that tersoff can be used multiple times, it doesn't mention a different cutoff distances only that it's applied to different pairs?

Is there a way to do this with just zbl and apply different cut off distances?

as i already mentioned, it works *exactly* the same way. LAMMPS

doesn't care whether you have different potential files or different

cutoffs (or whether this is a meaningful model).

axel.