[Pw_forum] "scf" calculation with "PBE0" hybrid functional

[Narendranath Ghosh]

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 <ghosh.naren13 at gmail.com
> wrote:

>
>
> On Wed, Aug 10, 2016 at 12:34 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
> wrote:
>
>> On Tue, Aug 9, 2016 at 12:04 PM, Narendranath Ghosh
>> <ghosh.naren13 at gmail.com> 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
>> > Pw_forum at pwscf.org
>> > 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
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
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