Skip to content

DensityPotential

This page gives hints on how to analyze the densities and potentials with the ABINIT package.

Introduction

All the files that have the density and potential format, see topic_printing can be analyzed with the “Cut3D” postprocessor. In particular, it can produce two-dimensional cuts (or one-dimensional cuts) through the three-dimensional data, suitable for later visualisation using e.g. topic_Abipy. It can perform the Hirshfeld computation of atomic charges. It can analyse the charge contained in an atomic sphere, and determine the angular momentum projected charge (l=0 to 4) contained in that sphere. (only available for norm-conserving pseudopotentials)

See the cut3d help file, as well as the cut3d tutorial.

{{ related_variables }}

Selected Input Files

{{ selected_input_files }}

Tutorials

  • cut3d tutorial explains the use and input parameters needed for the “Cut 3-Dimensional files” post-processor of the ABINIT package