[Pw_forum] Question on Pseudopotential in PWSCF

Paolo Giannozzi giannozz at nest.sns.it
Thu Aug 12 10:16:54 CEST 2004

On Tuesday 10 August 2004 05:52, Adrain Zhou wrote:

> I am not sure whether I can use the pseudopotentials with different
> XC functionals in one calculation

you can if you really want to (you need to edit the XC field in the
pseudopotential files). I don't think it's a good idea, though.

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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