Hi. Is there a source for pseudos for dft+1/2? 26 Ağu 2020 Çar 23:00 tarihinde <[email protected]> şunu yazdı:
> Hi Danny, > > Have a look at this, > https://forum.simuneatomistics.com/t/van-der-waals-functional-and-pseudo/276 > > Regards, > > Federico. > > -----Original Message----- > From: [email protected] <[email protected]> On Behalf Of D. > Bennett > Sent: 05 August 2020 11:32 > To: [email protected] > Subject: [SIESTA-L] Pseudos for vdW functional? > > Hi all, > > I wanted to try out the van der Waals in siesta (DRSLL/DF1 by Román-Pérez > and Soler), but wasn't sure about what to use for the pseudopotentials. > I've been using the PSML pseudos from pseudo-dojo for LDA, PBE, etc. Would > it be ok to use those (PBE say) for the vdW functional, or should I > generate my own? I checked the PRL by Román-Pérez and Soler but couldn't > find any info about the pseudos. Any advice would be much appreciated > > Thanks, > > Danny Bennett > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
