[Pw_forum] Asking help for the frozen phonon calculation
yanming_ma at hotmail.com
Mon Jan 26 17:41:50 CET 2004
I have a case to consider the anharmonic effect in the phonon frequency. we
can include the anharmonic effect in the Frozen phonon calculation. I do
not have any experience on the Frozen phonon calculation. Does anyone use
successfuly the PWSCF to do the Frozen phonon calcualtion? I will
appreciate you help?
Yanming Ma PhD
Steacie Institute for Molecular Sciences,
National Research Councils of Canada.
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