[QE-users] Environ module and perodic boundary condition
msafy505 at gmail.com
Wed Jan 16 15:15:13 CET 2019
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
> 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.
> 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
> > PBC. Does my calculations have any proplems or need any other keywords?
> > Thanks in advance
> GIUSEPPE MATTIOLI
> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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> I-00015 - Monterotondo Scalo (RM)
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> E-mail: <giuseppe.mattioli at ism.cnr.it>
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