Dear Fefe, you can look at dft_shortname in file Modules/funct.f90. bests
Layla Quoting iori at theory.polytechnique.fr: > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. L. Martin-Samos tel. +39 040 3787 429 CNR-DEMOCRITOS and International School for Advanced Studies (ISAS-SISSA) via Beirut 2-4 34151 Trieste Italy ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.
