ABINIT Discussion Forums

Not yet (as far as I know).

Sorry for late reply, and thanks for the notes about doing such kinds of test calculations, your code looks very good start point for writing my own one I hope you don't mind to use them. below is the link for more details about the code I use it in my calculations http://www.sciencedirect.com/scien...

Dear Dr Kane O'Donnell, Thank for the valuable notes. If aim (provided by abinit) depend on the charge density { all-electron = valence (from _DEN) + core (from *.fc) } and structure (from a _DEN file) then this utility will the only one software that can help me doing bader analysis. I am working o...

Thank you so much for your advice. May I clear my idea in more detail, I have valence charge density in a cube format file I want to augment it with the core one (atom.fc files generated from fhi98 code ) provided by the abinit site and do bader analysis using aim. Using Bader code will not help me ...

There is a fortran utility code named parchg2den.f90(http://lmtoelf.wikidot.com/hirschfeld-i-analysis) used to convert the vasp partial charge density file to abinit format.
Is there is any kind of such file to convert cube and dx file to abinit file format (DEN)

Hi ,

May I ask if there is any way to convert a dx or cube file with charge density to _DEN file.
I need to do this for preparing input files for aim to do bader.