ERROR: Incorrect args for pair coefficients".

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1

hi all I have this input file. where I am trying to read the potential
of NiTi.eam.fs but i am getting an error like "ERROR:
Incorrect args for pair coefficients".
can anybody help me? my EAM potential is downloaded from this site

http://atomistics.osu.edu/eam-potential-generator/potential.php

units metal
echo both
atom_style atomic
dimension 3
boundary p s p
region box block 0 140 0 100 0 140 units box
create_box 1 box
lattice bcc 3.051
region NiTi block 0 140 0 100 0 140 units box
create_atoms 1 region NiTi units box
timestep 0.002
pair_style eam/fs
pair_coeff * * NiTi.eam.fs Ni Ti
minimize 1.0e-4 1.0e-5 10000 10000

2

2015-04-12 11:39 GMT+02:00 Ali saeed <[email protected]...>:

hi all I have this input file. where I am trying to read the potential
of NiTi.eam.fs but i am getting an error like
*"ERROR: Incorrect args for pair coefficients"*.
can anybody help me? my EAM potential is downloaded from this site

http://atomistics.osu.edu/eam-potential-generator/potential.php

units metal
echo both
atom_style atomic
dimension 3
boundary p s p
region box block 0 140 0 100 0 140 units box
create_box 1 box

you define only 1 type here

lattice bcc 3.051
region NiTi block 0 140 0 100 0 140 units box
create_atoms 1 region NiTi units box
timestep 0.002
pair_style eam/fs
pair_coeff * * NiTi.eam.fs Ni Ti

you require 2 types here, one more than you asked for earlier

Kristof