[Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?

yin li liyincumt at gmail.com
Tue Nov 10 10:04:51 CET 2015

Dear Prof. Marzari,

Nice to hear from you again! The reason why I am thinking on the use of
finite displacement is that I want to employ the van der waals correction
into my phonon calculation. Currently, this function is still not available
for DFPT in ph.x. Is there any other option to do that?

Best Regards,
Dr. Yin Li
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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