: as far as I remember, the
> fully relativistic pseudos do not work with van der Waals corrections, so
> proceed with caution. I tried this a year or two ago and ran into problems.
>
> Best of luck,
>
> Danny Bennett
>
> ------
> *From:* siesta-l-re
file for
SIESTA? Or do I need to generate one by myself?
Thank you.
-Bejoy Sikder
--
Bejoy Sikder
Lecturer
Ahsanullah University of Science and Technology
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
Hello,
I am using Siesta PSML version for my work. I would like to know how to
include HSE-06 functional in siesta. I searched for tutorials but couldn't
find any.
Thank you.
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence
