[Pw_forum] phonon dispersion with experimental structure

ding dingmingcui at qq.com
Thu May 2 10:11:37 CEST 2013


Dear all and stefano:
      Thanks for your reply. Do you mean there is no way to calculate the phonon dispersion of the same material at different pressures? As is known, the structures are 
ususlly different at different pressures.  But in priciple there is only one equilibrium  structure when pressure is not apllied. Can the pressure factor be considered when we do phonon calculation?
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