Streitz and Mintmire FS EAM potential for Al-O

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1

Dear Lammpsers,

I am trying to use AlO.eam.alloy and AlO.streitz files for MD simulation of Alumina by below commands:

pair_style eam/alloy

pair_coeff * * eam/alloy AlO.eam.alloy Al O

However, I permanently face with this error:

ERROR: incorrect args for pair_coefficients< …/pair_eam_alloy.cpp: 52>

any comment is highly appriciated.

2

Dear Lammpsers,

I am trying to use AlO.eam.alloy and AlO.streitz files for MD simulation of
Alumina by below commands:

pair_style eam/alloy

pair_coeff * * eam/alloy AlO.eam.alloy Al O

However, I permanently face with this error:

ERROR: incorrect args for pair_coefficients< ../pair_eam_alloy.cpp: 52>

any comment is highly appriciated.

LAMMPS correctly tells you that your input is wrong.
check the documentation: http://lammps.sandia.gov/doc/pair_eam.html

axel.