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the usage of MVS functional (meta-GGA)
Posted: Wed Sep 18, 2024 1:46 am
by hyeonseo_park
Hello all,
I recently read a paper which used MVS (made-very-simple, meta-GGA) functional in VASP. I wanted to use the functional as well in the VASP, but I can't find it on VASP wiki.
Is the functional available in VASP?
Thank you!
Re: the usage of MVS functional (meta-GGA)
Posted: Wed Sep 18, 2024 7:02 am
by marie-therese.huebsch
Hi,
I suspect the functional is available via LIBXC. This is a libary that has to be linked upon compilation (linking in makefile.include) and then there are a couple of control tags. See e.g. LIBXC1.
For more information it would be helpful to post the reference and perhaps contact the authors.
Best regards,
Marie-Therese