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which PAW pseudo-potential for PBEsol

Posted: Mon May 27, 2013 6:24 pm
by alistar
Dear Admin,

I found very strange that VASP manual does not have any particular comment on the subject under the GGA-tag page. Maybe it is a silly question, but not for a newbie like me.

Which set of PAW pseudopotentials (potpaw, paw_gga, paw_pbe)
should be used in combination with PBEsol?

many thanks in advance
alistar

which PAW pseudo-potential for PBEsol

Posted: Tue May 28, 2013 9:54 am
by admin

which PAW pseudo-potential for PBEsol

Posted: Tue May 28, 2013 10:46 am
by alistar
I had already looked at that thread but the reply is somewhat ambiguous.

So to resume, to apply the PBEsol we have to use the paw_pbe pseudo-potential, with GGA = PS in the INCAR file