HPC MSU

Publication Abstract

DFTMPG Is a Graphical MATLAB Application for Generating Material Properties Using VASP

Barrett, C. D., & Carino, R.L. (2017). DFTMPG Is a Graphical MATLAB Application for Generating Material Properties Using VASP. Integrated Computational Material Engineering (ICME). Mississippi State University: CAVS-MSU.

Abstract

DFTMPG is a graphical MATLAB application for generating material properties using VASP. Material properties calculated by DFTMPG may be used with the MPC tool (https://icme.hpc.msstate.edu/mediawiki/index.php/MPC) for calibrating MEAM potentials. The DFTMPG license is https://icme.hpc.msstate.edu/mediawiki/index.php/File:License_BSD_3_MSU.PDF. Download the DFTMPG "how-to" in PowerPoint from https://icme.hpc.msstate.edu/mediawiki/index.php/File:DFTMPGv2-How-To.zip.