On Mon, 31 Jan 2011 12:41:12 +0100, Davide Sangalli <davide.sangalli at gmail.com> wrote: > As far as I understand rrkj are norm-conserving psps and only ecut > should be checked, while ecutrho=4*ecut should be fine.
Dear Davide, as far as I can tell the *-rrkjus.UPF pseudopotential that you can find in the Quantum-ESPRESSO home page are all ULTRASOFT. I could not find any norm-conserving pseudopotential in the website that contains the string "rrkj" in the filename for Fe, Co, Ni nor Oxygen. best regards -- Lorenzo Paulatto (IdR) IMPMC - CNRS UMR 7590 & Universit? P&M Curie T23-C13/23-5e27 - 4 place Jussieu - 75252 Paris Cedex5 phone: +33 (0)144 27 5211 www: http://www-int.impmc.upmc.fr/~paulatto/
