hirshfeld analysis in vasp
Posted: Mon Sep 02, 2013 5:18 pm
Dear all,
Does anyone knows how to obtain atomic charges from an iterative Hirshfeld partitioning using VASP? What is the necessary setting in the INCAR file?
Thank you for any hint.
Does anyone knows how to obtain atomic charges from an iterative Hirshfeld partitioning using VASP? What is the necessary setting in the INCAR file?
Thank you for any hint.