Dear *Prof. Paolo* Thank you for your suggestions.
Naren On Sat, Aug 13, 2016 at 12:23 PM, Paolo Giannozzi <[email protected]> wrote: > 1. Use Gamma point if you can > 2. Use band parallelization > 3. Use a reduced cutoff for the calculation of the exchange term > (ecutfock, can be reduced from its default value 4*ecutwfc with little loss > of accuracy) > 4. Experiment with smaller systems. > > Paolo > > Il 10/ago/2016 09:01 PM, "Narendranath Ghosh" <[email protected]> > ha scritto: > >> Dear *Dario* thank you for your continuous supports and help. >> Dear *Prof. Paolo* Thank you for your suggestions. *"**but it is hard >> and you **have to know a number of tricks "* Could you suggest me *some >> of the tricks* in this regard. >> >> >> *Narendra Nath Ghosh* >> >> *Research Associate* >> >> *University of Gour Banga* >> >> *Department of Computational Physics * >> >> *Malda-732102* >> >> *India* >> >> On Wed, Aug 10, 2016 at 1:19 PM, Narendranath Ghosh < >> [email protected]> wrote: >> >>> >>> >>> On Wed, Aug 10, 2016 at 12:34 PM, Paolo Giannozzi <[email protected] >>> > wrote: >>> >>>> 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 >>>> >>> >>> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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