Dear Shafat, Axel and LAMMPS users,
Thank you for the reply. I used tabulation with pair style table. But a problem as shown in picture below arised. How to solve this peoblem? The attached is in file.
Thanking you for your time and advices.
Wu Minbo
infile.txt (2.05 KB)
Due to using a long-range coulomb solver, pair style table assumes that you have tabulated coulomb contributions.
So rather than applying a cutoff at the pair_coeff statement, you have to apply it during tabulation and extend the tables to the same cutoff that you use for the long-range coulomb.
Also your pair_coeff statement with the blank table is not needed.
axel.