LDA density files for the Hirschfeld atomic charge analysis

Clicking on a blue-highlighted element in the periodic table will start a download procedure that will transfer a text file containing the density.

Note : The size of the file may vary between 15 kB and 24 kB.

These all-electron density data have been generated using the FHI code, in the LDA (PW92 XC functional).
The densities are very weakly dependent on the XC functional choice, and moreover, the Hirschfeld analysis is mostly a quantitative analysis tool.
Because of these two reasons, we suggest that these files can be used also for the analysis of density generated with different XC functionals.
Still, for accurate analysis, one should generate density files that are perfectly consistent with the XC functional of the ABINIT simulation.

28 June 2002. (corrected 22 Jan 2014)