Hello All,
I am running a simple calculation to calculate the total energy using the meam potential for Fe. Calculations run perfectly if I use the potential provided with the LAMMPS code, however if I try to use the meam potential published in the following paper, https://doi.org/10.1103/PhysRevB.89.094102, I get the following error:
Reading potential file library.meam with DATE: 2012-06-29
ERROR: Keyword Fe in MEAM parameter file not recognized (…/pair_meam.cpp:695)
Last command: pair_coeff * * library.meam Fe PRB.094102.meam Fe
The meam potential file (PRB.094102.meam ) is in the working directory, and is as follows (provided by the authors):
Hello All,
I am running a simple calculation to calculate the total energy using the
meam potential for Fe. Calculations run perfectly if I use the potential
provided with the LAMMPS code, however if I try to use the meam potential
published in the following paper,
https://doi.org/10.1103/PhysRevB.89.094102, I get the following error:
Reading potential file library.meam with DATE: 2012-06-29
ERROR: Keyword Fe in MEAM parameter file not recognized
(../pair_meam.cpp:695)
Last command: pair_coeff * * library.meam Fe PRB.094102.meam Fe
yes. please study the meam example bundled with LAMMPS and also very
carefully study the documentation of pair style meam.
when comparing the various .meam files, it should be *very* obvious,
that your PRB.094102.meam file has to be use *instead* of library.meam
as the *first* .meam file, and its comments also refer to a necessary
FeC.meam file, which will have to be the *second* .meam file.
axel.