Hello:
Recently I performed the simulation regarding to three atom types: O, Si, C. I want the interaction between O and Si is tersoff/zbl. The interaction for C
is another tersoff potential. The interaction of O-C and Si-C is described by LJ potentials. I set the pair_style like this:
However, I got the message: segmentation fault. I read a lot of mailing lists about this question, but I cannot find a feasible way to achieve this. Please give me
some advice. Thank you very much.
Hello:
Recently I performed the simulation regarding to three atom types: O, Si, C. I want the interaction between O and Si is tersoff/zbl. The interaction for C
is another tersoff potential. The interaction of O-C and Si-C is described by LJ potentials. I set the pair_style like this:
pair_style hybrid tersoff/zbl lj/cut 1.0
pair_coeff * * tersoff/zbl SiO2.tersoff.zbl O Si NULL
pair_coeff * * tersoff/zbl SiC.tersoff.zbl NULL NULL C
you cannot do this. you cannot have two different
potential files for the same manybody potential
in a hybrid scenario. you may get away with using
a non-zbl tersoff or some other manybody potential
for the carbon, but your input _cannot_ work.