Dear Stefano, Thank you for clarification. What boundary conditions are good for 2D materials? pbd or bc1?
Thank you. Rajesh On Sat, Jul 22, 2017 at 2:16 PM, stefano de gironcoli <[email protected]> wrote: > Dear Rajesh, > > quantum espresso is a periodic code. PBC are the default. > you'll find options to remove (or account for) interaction with periodic > replicas. > > stefano > > > > On 22/07/2017 10:34, Rajesh wrote: > > Dear users > > How can I employ periodic boundary conditions in quamtum espresso? > I dont find any option in pwgui for pbc. > > Thank you. > > Rajesh > > > _______________________________________________ > Pw_forum mailing > [email protected]http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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