the usage of MVS functional (meta-GGA)

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
hyeonseo_park
Newbie
Newbie
Posts: 5
Joined: Fri Dec 29, 2023 6:42 am

the usage of MVS functional (meta-GGA)

#1 Post by hyeonseo_park » Wed Sep 18, 2024 1:46 am

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!


marie-therese.huebsch
Full Member
Full Member
Posts: 205
Joined: Tue Jan 19, 2021 12:01 am

Re: the usage of MVS functional (meta-GGA)

#2 Post by marie-therese.huebsch » Wed Sep 18, 2024 7:02 am

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


Post Reply