[Pw_forum] Asking help for the frozen phonon calculation

ma Yanming yanming_ma at hotmail.com
Mon Jan 26 17:41:50 CET 2004


Dear Users,

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?

Best Regards 


Yanming Ma PhD
Steacie Institute for Molecular Sciences,
National Research Councils of Canada.
100 Sussex
K1A 0R6

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