[QE-users] Environ module and perodic boundary condition

[Mohamed Safy]

Dear  Giuseppe
Thanks for your reply.
I will put it all from the next time
Thanks and best regards

On Tue, 15 Jan 2019 at 11:39, Giuseppe Mattioli <
giuseppe.mattioli at ism.cnr.it> wrote:

>
> Dear Mohamed
>
> Please remember always to print your affiliation in your posts to the
> forum!
>
> Impossible to say if we can't see your setup... In principle, there is
> nothing wrong in performing PBC calculations embedded in implicit
> water with a dft-d3 correction.
> HTH
> Giuseppe
>
>
> Mohamed Safy <msafy505 at gmail.com> ha scritto:
>
> > Dear QE users
> >     Hope my email finds you well.
> > I used Environ module (water) and grime-d3 correction in my calculations
> in
> > PBC. Does my calculations have any proplems or need any other keywords?
> > Thanks in advance
>
>
>
> 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: <giuseppe.mattioli at ism.cnr.it>
>
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