So far, I'm able to produce IR spectra with VASP., with IBRION=8 option and then do this :
http://homepage.univie.ac.at/david.karh ... loads.html
But I can't turn on van der Waals correction with this method.
Is there any way to combine IBRION=8 and van der Waals correction ?
Thank's & regards,
Hantarto
Combine IBRION=8 and van der Waals correction
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Re: Combine IBRION=8 and van der Waals correction
IBRION=8 + vdW exists as a beta version.
Can be sent to those who are interested (tomas.bucko@univie.ac.at).
Can be sent to those who are interested (tomas.bucko@univie.ac.at).