[RMCProfile-users] half-box or periodic boundary conditions

[nick.funnell at stfc.ac.uk]

Hi Karl,

RMCProfile uses periodic boundary conditions.

Best wishes,
Nick


-----Original Message-----
From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Karl Pazdernik
Sent: 19 April 2016 21:58
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] half-box or periodic boundary conditions

Hello experts,

I have a quick question: how does RMCProfile handle the edge atoms?  Does it perform calculations based on reduced set of central atoms from the full supercell or does it use periodic boundary conditions?


--
Karl Pazdernik, Ph.D.
Department of Statistics
North Carolina State University
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