I tried to run a simulation about Titanium, but always got error message
“Incorrect args for pair coefficients”.
I want to know how to make this potential working.
the potential file is downloaded from the link: http://www.ctcms.nist.gov/potentials/Ti.html
create_box 9 box
pair_coeff * * Ti.eam.fs Ti
These 2 commands are not compatible. You have 9 atom
types and you only specified one of them in the pair coeff
command. The eam doc page explains the format of
the pair_coeff command. One element per type.
Steve