I've sent and uploaded couple of Mn pseudos with GIPAW reconstruction. Please test!
Davide On 11/12/2014 10:50 PM, Paolo Giannozzi wrote: > I hadn't noticed that you need GIPAW reconstruction info. > If so, you will need to generate one. Unfortunately Mn is > a tough guy. Good luck. > > Paolo > > On Wed, 2014-11-12 at 11:00 +0000, roberta pigliapochi wrote: >> Dear Paolo, >> >> Thank you very much for the quick reply and I'm sorry for being >> stubborn but to me those two PPs don't seem to have the GIPAW >> reconstruction. Am I talking nonsense? >> >> Thank you again. >> Roberta >> >> >> Roberta Pigliapochi >> PhD Student | Grey Research Group >> University of Cambridge >> >> On 12 November 2014 10:40, Paolo Giannozzi <[email protected]> >> wrote: >> There are two norm-conserving PBE PP for Mn in the web site. >> Presumably they will require one million (for the FHI one) >> or one billion (for the HGH one) Ry cutoff. >> >> Paolo >> _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
