How to use PBE functional with D2 correction?

1

Hello Siesta Users,

I will be greatful if you can guide me how to use PBE functional with D2 correction in my calculations,

Thanks & Regards
N. Kumar

2

Check page 48-49 of the siesta manual for van der Waals functionals:

I think the vdW corrections are made to the revPBE functional, so if you are comparing GGA vs vdW, use revPBE. But you should fact check this because it’s been a while since I tested the different vdW functionals.

Daniel Bennett