ABINIT Discussion Forums

Dear all,
I hope i am not overlapping with already existing posts/topics (in case, please readdress me...).

In the Abinit list of variables I see a keyword named "prtspcur", defined as "If set to 1 or a larger value, provide output of the current density of different direction spins (x,y,z) in the whole unit cell. Should require spinorial wave functions nspinor = 2. Experimental: this does not work yet."

Does that mean this tool is still under development? In case it is, can you refer me to the person(s) who are working on it?
I am interested in implementing / running calculations of the current density within PW DFT, and first of all I would like to get an idea of what is already implemented in existing codes such as Abinit.



Thanks a lot in advance
Best
Elena Molteni
Department of Physics
Universita' degli Studi di Milano
via Celoria, 16
I-20133, Milan, Italy
and European Theoretical Spectroscopy Facility (ETSF)
http://www.etsf.eu

Hello Elena,

I started this implementation a while ago (2009). It has stopped for the moment, as there were pseudopotential-specific terms I started on which were complex and I didn't have time to do things cleanly.

Best

Matthieu