# # 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_MgZn) contains a parametrization for the KIM Model Driver IMD_EAM. Potential to simulate vibrational properties of the MgZn2 Laves phase and related phases at ambient temperature. Reference: P. Brommer, M. de Boissieu, H. Euchner, S. Francoual, F. Gähler, M. Johnson, K. Parlinski, and K. Schmalzl Vibrational properties of MgZn2 Z. Kristallogr. 224(1–2), pp. 97–100 (2009). http://dx.doi.org/10.1524/zkri.2009.1085 Files contained in this directory: Makefile: makefile to compile and build executables with GNU or Intel compilers README: This file IMD_MgZn.params: Parameter file for the model driver, contains the name of the Model and the name of the potential files. mgzn.222_gga.21719_new_phi.imd.pt: Tabulated potential data for the pair potentials in IMD format mgzn.222_gga.21719_new_rho.imd.pt: Tabulated potential data for the transfer functions in IMD format mgzn.222_gga.21719_new_F.imd.pt: Tabulated potential data for the embedding functions in IMD format