The ABINIT Users Mailing List ( CLOSED )

[Nuno Galamba <ngalamba@cii.fc.ul.pt>]

0k, that makes sense. Because I was confused, since in the ABINIT periodic 
table for the AE files it gives the idea you can obtain that (straight) from 
the output of FHI98. I had worked with it before but never really looked for 
it. What comes out is the AE potential not the density. The answer to your 
question is therefore I do not get any density at all.

Do you have any suggestion on how could I make my own files? Even though 
results should not change much I wanted to check the LDA files against some 
obtained for GGA(PBE).

Thanks a lot for your answer.

Nuno Galamba



On Wednesday 28 February 2007 10:59, Matthieu Verstraete wrote:
> As I remember, the AE density wasn't a standard output of fhi98pp. I had
> to hack the code to write it to a file. Are you saying you get a different
> density or none at all from fhi98?
>
> Matthieu

-- 
Nuno Galamba
Grupo de Fisica-Matematica da Universidade Lisboa
Lisboa
Portugal