some questions

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1

Dear professor:
i have some troubles about the lammps, and i want to get your help.
i wang to use tersoff to describe the interaction of C-C,eam/fs for the Al-Al,LJ for C-Al, just like the following,

pair_style hybrid lj/cut 12.0 tersoff eam/fs
pair_coeff * * tersoff 1 C.tersoff C NULL
pair_coeff * * eam/fs 2 Al_mm.eam.fs NULL Al
pair_coeff 1 2 lj/cut 0.0309 3.422

but the log shows:

#-----力场-----
pair_style hybrid lj/cut 12.0 tersoff eam/fs
pair_coeff * * tersoff 1 C.tersoff C NULL
ERROR: Incorrect args for pair coefficients (…/pair_tersoff.cpp:299)
Last command: pair_coeff * * tersoff 1 C.tersoff C NULL

so what should i do to correct it？

Looking forward to your reply.

2

Dear professor:
i have some troubles about the lammps, and i want to get your help.
i wang to use tersoff to describe the interaction of C-C,eam/fs for the Al-Al,LJ for C-Al, just like the following,

pair_style hybrid lj/cut 12.0 tersoff eam/fs
pair_coeff * * tersoff 1 C.tersoff C NULL
pair_coeff * * eam/fs 2 Al_mm.eam.fs NULL Al
pair_coeff 1 2 lj/cut 0.0309 3.422

but the log shows:

#-----力场-----
pair_style hybrid lj/cut 12.0 tersoff eam/fs
pair_coeff * * tersoff 1 C.tersoff C NULL
ERROR: Incorrect args for pair coefficients (…/pair_tersoff.cpp:299)
Last command: pair_coeff * * tersoff 1 C.tersoff C NULL

so what should i do to correct it？

the use of a number after “tersoff” or “eam/fs” in a pair_coeff command is only supported and required, if you are using the same pair style multiple times as substyle. this is not the case here, so you must not use those.

please carefully review the documentation for the pair style hybrid command, where this is explained.

axel.