PAW Potentials
Posted: Tue Jul 21, 2009 10:27 pm
Hi, What is the exchange correlation used in PAW-PBE potentials? is it Perdew-Burke-Ernzerhof? Is it possible to do LDA with those potentials.
If you type 'grep LEXCH POTCAR' for each POTCAR file it will show you.
LEXCH=CA is Ceperly-Alder, aka straight LDA
LEXCH=PE is PBE
More: http://cms.mpi.univie.ac.at/vasp/vasp/node133.html