[Pw_forum] Hybrid XC with USP

Gabriele Sclauzero sclauzer at sissa.it
Thu May 26 13:45:17 CEST 2011

Il giorno 26/mag/2011, alle ore 12.54, priyanka goud ha scritto:

> Dear Gabriele,
>                           Thank you for your favorable reply , at the same time can you please suggest me what to be mentioned  
> in input file to overcome the output error "HYBRID XC not implemented for USPP or PAW".. and to run it successfully.

Use norm conserving PPs instead of USPP (or PAW). You said that you've already discovered it by yourself for B3LYP (which should also be a hybrid functional, to my knowledge).



> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110526/c6d62fbf/attachment.html>

More information about the users mailing list