Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

MoHan Chen, Junchao Xia, Chen Huang, Johannes M. Dieterich, Linda Hung, Ilgyou Shin, Emily A. Carter. Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. Computer Physics Communications, 190:228-230, 2015. [doi]

Abstract

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