Integrated Computational Materials Engineering (ICME)

FeC.in.meam

This is the file that has the input commands for LAMMPS to execute a run. Copy and paste the following text in to a file named FeC.in.meam

# Test of MEAM potential for Iron-Carbon system

units           metal
boundary        p p p

atom_style      atomic

read_data       Fe3C.pos

pair_style      meam
pair_coeff      * * FeC.library.meam Fe C FeC.meam Fe C

neighbor        0.3 bin
neigh_modify    delay 10

thermo          1
dump            1 all custom 1 FeC.dump.meam id type x y z
log             FeC.log.lammps
minimize        1.0e-8 1.0e-8 100 10000

The tag "pair_coeff" specifies the two potential files, FeC.library.meam and FeC.meam. If you want to change the names of the potential files, you also have to change their names here as well.