MEAM Potential

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1

Hi

I have the old MEAM potential for Zirconium and Hydrogen and I would like to use it in LAMMPS.The potential automatically calculates the potential for the given structure.Could you please tell me how can I use this in new LAMMPS.?

2

Hi

I have the old MEAM potential for Zirconium and Hydrogen and I would like to
use it in LAMMPS.The potential automatically calculates the potential for
the given structure.Could you please tell me how can I use this in new
LAMMPS.?

the file format of the meam potential file(s) is discussed in the documentation
for the meam pair style. please help yourself of a good reading of it.

http://lammps.sandia.gov/doc/pair_meam.html

axel.

3

Hi Axel

Thanks For reply.I am still having the problem.I have written the script as

units metal
boundary p p p
atom_style atomic
pair_style meam
read_data ZrH2fccLAMMPS.in

pair_coeff * * meamf Zr H Null Zr H

mass 1 91.224
mass 2 1.0079

Its Incorrect pair_coeffcients.Could you please tell me what the problem is .

Thanks
Ravi

4

Hi Axel

Thanks For reply.I am still having the problem.I have written the script as

units metal
boundary p p p
atom_style atomic
pair_style meam
read_data ZrH2fccLAMMPS.in

pair_coeff * * meamf Zr H Null Zr H

mass 1 91.224
mass 2 1.0079

Its Incorrect pair_coeffcients.Could you please tell me what the problem is

what element/type is "Null"? did you mean "NULL"?

axel.