[lammps-users] two questions in understanding lammps

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1

Hi everyone:

I come across some difficulty. The first is create_atoms command. The newest version adds basis keyword.When I write command: create_atoms 1 basis 2 2 basis 3 3 basis 4 4, It means every basis atom of the fcc lattice is appended by different atom type. Is my meaning correct?

The second puzzle is EAM potential. I use NiTi alloy but I cann’t konow how to get EAM potential

about NiTi alloy. Though I know you have provided many EAM files,I cann’t find EAM potential of

NiTi or Ti. Can you give me some instruction. Thank you very much!

Regards!

zheng bin

DUT,Da Lian,P.R. China

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Yes, the "basis" option of create_atoms assigns atom types. See the
doc page for create_atoms. The pair_eam.html doc page lists other
WWW sites that have EAM potentials. Otherwise you'll just have to
search on the WWW or derive your own potential file.

Steve