Dear all, 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. Best regards Subhodip -- *Subhodip Chatterjee* *Senior Research Fellow* *Department of Chemistry* *University of Calcutta* *Kolkata, India*
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