Charge density distribution representation program using Mesa

Abstract

A simple charge density distribution representation program is developed using Mesa [1]. We used the contour map evaluation algorithm developed by Yabe [2]. Detailed description of the algorithm and the implementation method on Mesa are discussed. As an example of this method, we show a charge density distribution map calculated by the first principle Molecular Dynamics program CAMP-Atami (JCPE : P089) for Si diamond structure with 8 atom system. The example program code will be distributed through JCPE.