[QE-users] Environ module and perodic boundary condition

Mohamed Safy msafy505 at gmail.com
Sun Jan 13 19:26:53 CET 2019


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
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