There are many norm-conserving PP's as well, including a few generated with TPSS meta-GGA, in the various PP tables available on the web server (and on other sites as well: see "More about pseudopotentials")
The implementation of meta-GGA with USPP or PAW is not completely straightforward: the kinetic energy density as it is computed now does not include the contribution from the augmentation part Paolo On Thu, Sep 6, 2018 at 10:26 AM, Michal Krompiec <[email protected]> wrote: > Dear All, > I'm trying to use a meta-GGA functional and I got this error: Meta-GGA > not implemented with USPP/PAW. Does it mean that ultra-soft > pseudopotentials or PAW cannot be used in conjunction with meta-GGA in QE? > It is a bit confusing as all pseudopotentials from the PS library are USPP > or PAW. Am I missing something? > Thanks in advance, > Michal Krompiec > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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