ABINIT Discussion Forums

Dear all
I would like to perform some calculation on large systems, I was interested in the BigDFT project, but I looked in their webpage and
I noticed that from 2006 only 6 articles using BigDFT has been published (all of them by some author of the code), so
my question is: Is it really working the code? or the project is dead?
someone used it? is it fast, slow?

thanks
Sebastiano

Dear Sebastiano

I honestly tried to do calculations with BigDFT but I found it very slow, therefore I come back to plane-waves.
Moreover plane-waves allow to perform many kind of calculations not yet implemented in wave-lets,
and the output wave-functions can be used from other codes and so on.
Anyway my system contained about 100 atoms, so maybe for larger systems BigDFT can be more efficient, I don't know.

However notice that also in the articles that used BigDFT they had more or less this number of atoms,
so I doubt that is very efficient for larger systems.

Anyway if you really need a fast code for large system I advise you to search for linear scaling codes
in localized basis sets, there are many available on the net.

with best regards
John Cornelius

Dear John

I downloaded and tried BigDFT, and I agree with you, it is slow and not efficient.
At the end I will move to other codes as ONETEP, SIESTA or CYSTAL.

thanks
Sebastiano