[Pw_forum] Cpmd

ashkan shekaari shekaari at gmail.com
Sat Feb 4 17:34:40 CET 2017


Dear experts,
How does the cp code import temperature for example for a 6-atom system
such as atomic clusters? I mean temperature is meaningful when the number
of atoms is of the order of the Avogadro number. Does it apply a kind of
periodic boundary condition as what is used in classical MD, generating
many copies of the given system in a periodic fashion?
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