Hi,

many thanks to Aidan for answering my question concerning the zbl-potential. Considering your advice I have modified my Code as following:

…

1. pair_style hybrid zbl 5.0 7.0 tersoff/zbl tersoff/zbl

2. pair_coeff * * zbl 0.0

3. pair_coeff 1 1 zbl 14

4. pair_coeff 2 2 zbl 18

5. pair_coeff * * tersoff/zbl 1 SiC.tersoff.zbl Si NULL

6. pair_coeff * * tersoff/zbl 2 SiC.tersoff.zbl NULL C

…

LAMMPS seems to work fine with the above-made corrections in the input-file. But I am not sure if this calculation does that what I expect?

Do the pair_coeff-commands ensure that the interaction of atom_type 1(Silicon) with atom_type 2 (Argon) is a zbl interaction and that the interactions of Si-Si and Ar-Ar are still tersoff.zbl interactions?

Do I get it right, that the second command tells LAMMPS that all atom types interact via zbl-interaction, lines 3-4 set the atomic numbers of used atom-types(needed as zbl-parameters). Then, lines 5-6 tell LAMMPS that atom_type 1(Si) interacts with atom_type 1 with zbl.tersoff (line 6 does the same with argon).

And because of the command in the second line, atom_type 1 interacts with atom_type 2 via zbl-potential???

best regards

Pawel