error in EAM potential

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1

I want to simulate the Ir element by lammps software, so i need a
suitable potential in this work.
in lammps program, i put the eam potential as:

pair_style eam
pair_coeff * * Ir.eam

however, format of downloaded file is " Ir.lammps.eam ’

when the program is run, i face to this error: Cannot open EAM potential file

my questions are that:

  1. what is put the correct pair_coeff?’ Ir.eam’ or ‘Ir.lammps.eam’
  2. should be changed the name of " Ir.lammps.eam ’ file?

Thanks

2

2014-12-16 8:23 GMT+01:00 n shokrani <[email protected]...>:

I want to simulate the Ir element by lammps software, so i need a
suitable potential in this work.
in lammps program, i put the eam potential as:

pair_style eam
pair_coeff * * Ir.eam

however, format of downloaded file is " Ir.lammps.eam '

when the program is run, i face to this error: Cannot open EAM potential
file

my questions are that:

1. what is put the correct pair_coeff?' Ir.eam' or 'Ir.lammps.eam'
2. should be changed the name of " Ir.lammps.eam ' file?

Potential filename and the name in the input file should match. You can
achieve this by renaming the file, changing your input file, or both. Of
course provided that the file is in the correct format of course, but
LAMMPS will tell you if it isn't.

Kristof