Hi all.
Maybe my question have already found an answer here ( that unfortuntely I
can't find at the moment), so:
I know I can force pw to use some xc functional, with
input_dft="somefunctional".
In the Modules/functionals.f90 source files I have the list.
But, which is exactly the set of flag I can use to select the functionals?
and which of them are implemented among the list starting at line 75 in
this source file?
If some of you already replied to this kind of question, just send me
corresponding link. I will look at that.
Thanks a lot.
federico iori.
Dr. Federico Iori, PhD!
Laboratoire des Solides Irradi?s,
Ecole Polytechnique - CEA/DSM, CNRS
91128 Palaiseau, France
www.etsf.polytechnique.fr
phone: +33 (0) 1 69 33 44 85
emails: federico.iori @ polytechnique.edu
iori.federico @ unimore.it
http://www.pdmodena.it/
http://www.comune.mo.it
