# # CDDL HEADER START # # The contents of this file are subject to the terms of the Common Development # and Distribution License Version 1.0 (the "License"). # # You can obtain a copy of the license at # http://www.opensource.org/licenses/CDDL-1.0. See the License for the # specific language governing permissions and limitations under the License. # # When distributing Covered Code, include this CDDL HEADER in each file and # include the License file in a prominent location with the name LICENSE.CDDL. # If applicable, add the following below this CDDL HEADER, with the fields # enclosed by brackets "[]" replaced with your own identifying information: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Copyright (c) 2012, Institute for Theoretical and Applied Physics # University of Stuttgart, D-70550 Stuttgart, Germany. # All rights reserved. # # Contributors: # Daniel Schopf # This directory (IMD_AlMnPd) contains a parametrization for the KIM Model Driver IMD_EAM. The potential was created for the ternary alloy Al-Mn-Pd, specifically for the epsilon-phases. It can be used for structure optimization since it yields very precise energies. Reference: D. Schopf, P. Brommer, B. Frigan, and H.-R. Trebin Embedded atom method potentials for Al-Pd-Mn phases Phys. Rev. B 85 (5), 054201 (2012). http://dx.doi.org/10.1103/PhysRevB.85.054201 Files contained in this directory: Makefile: makefile to compile and build executables with GNU or Intel compilers README: This file IMD_AlMnPd.params: Parameter file for the model driver, contains the name of the Model and the name of the potential files. AlMnPd.imd_phi.imd.pt: Tabulated potential data for the pair potentials in IMD format AlMnPd.imd_rho.imd.pt: Tabulated potential data for the transfer functions in IMD format AlMnPd.imd_F.imd.pt: Tabulated potential data for the embedding functions in IMD format