Dear all,
I read here
https://sites.google.com/site/haoweipeng/softwares
that the SCAN+rvv10 van der Waals functional (
https://journals.aps.org/prx/abstract/10.1103/PhysRevX.6.041005 ) has
been implemented in SIESTA, but I cannot find how to select it in the
manual. Has it been implemented or it is in some development version?
In the case it is possible to use it, I am interested in doing
geometrical optimizations with that functional and in the presence of
electrostatic potential. Is this possible in the production or
development version?
Thanks a lot in advance for your kind reply.
All the best
Antonio
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_______________________________________________
Antonio Cammarata, PhD in Physics
Assistant Professor in Applied Physics
Advanced Materials Group
Department of Control Engineering - KN:E-s136
Faculty of Electrical Engineering
Czech Technical University in Prague
Karlovo Náměstí, 13
121 35, Prague 2, Czech Republic
Phone: +420 224 35 7442
Fax: +420 224 91 8646
