Hi,
This is expected, as GPUMD only supports up to 3 atom types for the SW
potential.
Zheyong
On Mon, Nov 23, 2020 at 3:12 PM "소순성" <soonsung2001@xxxxxxxxxx> wrote:
Hi, I'm. Soonsung So,
and Thank you for nice GPUMD tool, always~!
Today, I have a question from the problem I met.
I want to calculate InSe monolayer using Stillinger-Weber potential
so, I prepared the sw_1985 type potential in GPUMD from the reference by
Jiang, J. W. & Zhou, Y. P.
(Parameterization of Stillinger–Weber Potential for Two-Dimensional Atomic
Crystal)
From that reference, I got the potential file written in LAMMPS format and
switched it for GPUMD format (the potential file is for has 4 elements).
However, It doesn't work although I tested several times. (But the
potential file in LAMMPS format works in LAMMPS package.)
How can I solve it?
(I attatched my files)
