[Pw_forum] ecutrho and rrkj psp

[Lorenzo Paulatto]

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 & Université P&M Curie
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