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LAMMPS LAMMPS Mailing List Mirror
1

Dear All,
    I want to build a pure phosphorus system(or rather,black
phosphorus),and I used a coverage program to make LAMMPS 2NN MEAM
parameters using KISSMD parameters(you can get the program from
https://cmse.postech.ac.kr/lammps/3707).
    I get the 2NN MEAM parameters from the paper: W-S Ko et al.
J.Phys:Condens.Matter 24 (2012) 225002.
    But when I used it to compute the temperature of the system,
LAMMPS showed the temperature was '-1.#IND ' and the atoms in the
system disappeared.
    I want to know whether the parameters can be used directly by
LAMMPS,or need some modification?

2

Dear All,
I want to build a pure phosphorus system(or rather,black
phosphorus),and I used a coverage program to make LAMMPS 2NN MEAM
parameters using KISSMD parameters(you can get the program from
https://cmse.postech.ac.kr/lammps/3707).
I get the 2NN MEAM parameters from the paper: W-S Ko et al.
J.Phys:Condens.Matter 24 (2012) 225002.
But when I used it to compute the temperature of the system,
LAMMPS showed the temperature was '-1.#IND ’ and the atoms in the
system disappeared.
I want to know whether the parameters can be used directly by
LAMMPS,or need some modification?

Wouldn’t that be a question you better ask the authors of that program you used?