[Pw_forum] Phonon under pressure
subhopcqc at gmail.com
Sat Dec 10 08:30:48 CET 2016
I've a doubt regarding phonon calculation for a geometry which is obtained
under extreme pressure. Suppose the system is optimized under pressure
(using the "press" tag in vc-relax calculation) but when we do phonon
calculation there is no information of the external pressure. Then how can
I judge the stability of that structure through phonon calculation? In
absence of that specific external pressure the structure must not be stable.
I apologize if the question is too silly due to my lack of knowledge.
*Senior Research Fellow*
*Department of Chemistry*
*University of Calcutta*
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