I have a copy of the modified version, by Xiaofei Wang, of an old "atomic" code, that should generate PPs with meta-GGA. No warranty whatsover.
Please note that the 6.2 implementation of SCAN is buggy. Ensure that you use the latest development version of QE and libxc > 3.0.0 Paolo On Fri, Nov 24, 2017 at 12:46 AM, Giuseppe Mattioli < [email protected]> wrote: > > Dear Subrata > AFAIK It is not possible to generate meta-GGA pseudo potentials with > atomic yet. > Best > Giuseppe > > Subrata Jana <[email protected]> ha scritto: > > > Dear users, > > I want to do some rVV10 dispersion corrected calculation using SCAN > > meta-GGA for my MoS2 bilayer. It is possible to generate pseudo potential > > for Mo and S for SCAN meta-GGA using atomic code that is inside the QE ? > If > > yes then what is the procedure ? > > > > Regards, > > Subrata > > > > GIUSEPPE MATTIOLI > CNR - ISTITUTO DI STRUTTURA DELLA MATERIA > Via Salaria Km 29,300 - C.P. 10 > I-00015 - Monterotondo Scalo (RM) > Mob (*preferred*) +39 373 7305625 > Tel + 39 06 90672342 - Fax +39 06 90672316 > E-mail: <[email protected]> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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