the question of hybird potential with tersoff and EAM?

Dear all,

I have a problem about the hybird potential usage
if want use tersoff and EAM potential in my system, for example

  pair_style hybrid/overlay tersoff eam/alloy
  pair_coeff * * tersoff SiC.tersoff Si NULL NULL NULL NULL NULL
  pair_coeff * * eam/alloy al.set NULL Al Co Cu Fe Ni

with the script above, the system will arise the error: incorrect args for pair coefficients
  meanwhile, for both the tersoff and eam/alloy they need "* * " to span this potential to all the atom, so I
do not know how to do it?

can somebody meet this problem before, can you solve this?

thanks so much~~~~~

Dear all,

I have a problem about the hybird potential usage
if want use tersoff and EAM potential in my system, for example

pair_style hybrid/overlay tersoff eam/alloy
pair_coeff * * tersoff SiC.tersoff Si NULL NULL NULL NULL NULL
pair_coeff * * eam/alloy al.set NULL Al Co Cu Fe Ni

with the script above, the system will arise the error: incorrect args
for pair coefficients
meanwhile, for both the tersoff and eam/alloy they need "* * " to
span this potential to all the atom, so I
do not know how to do it?

can somebody meet this problem before, can you solve this?

first off, this looks like a crazy system with little
chances to produce meaningful results. also,
hybrid/overlay is wrong for what you want say
you want to do. you want plain hybrid.
the way you specify the pair_coeff looks
superficially ok, but is missing a potential
to interact between particle types 1 and the rest.

if you want more detailed suggestions, you have
to produce a *complete* input that somebody
can run without much effort.

axel.

The lines below work fine for me, running from the
src dir, which is a sister dir to the potentials dir.

Steve

units metal

lattice fcc 4.0
region box block 0 10 0 10 0 10
create_box 6 box
create_atoms 1 box

pair_style hybrid/overlay tersoff eam/alloy
pair_coeff * * tersoff ../potentials/SiC.tersoff Si NULL NULL NULL NULL NULL
pair_coeff * * eam/alloy ../potentials/Al_zhou.eam.alloy NULL Al Al Al Al Al

Thanks so much, axel, i am sorry for not saying this question clearly, :frowning:
actually,i miss the potential between particle types 1 and the other element,
My system is a hybird system, the High entropy alloy elements( Al Co Cu Fe Ni) on the Si substrate,
for the potential I used between Si-Si is tersoff potential and the HEA with eam potential
and the I just miss the potential between Si and HEA(L-J potential).

thanks a lot again!:slight_smile:
Lu