[QE-users] Environ module and perodic boundary condition

[Giuseppe Mattioli]

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
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