On Tue, Aug 9, 2016 at 12:04 PM, Narendranath Ghosh <[email protected]> wrote:
> EXX: now go back to refine exchange calculation is this the first time this message appears? if so, nothing strange: when the code turns exact exchange on, the amount of required time grows enormously. It is possible to perform hybrid calculations in systems containing up to a few hundreds atoms, but it is hard and you have to know a number of tricks. The next version of QE will perform better. Paolo > > Please suggest any idea....... > > Narendra Nath Ghosh > > Research Associate > > University of Gour Banga > > Department of Computational Physics > > Malda-732102 > > India > > > > _______________________________________________ > 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
