Selective dispersion corrections on Au
Posted: Sun Jul 28, 2013 9:29 pm
Dear VASP Users,
I managed to use Grimme's vdW corrections on my Alkene on Au surface model.
Now I'm searching for an option to switch off the correction between the Au atoms.
More general an option to switch off the correction between any kind of atoms.
I've seen this option in FHI-aims.
So is there anything similar in VASP, the manual don't give anything to me ...
Thanks in advance
I managed to use Grimme's vdW corrections on my Alkene on Au surface model.
Now I'm searching for an option to switch off the correction between the Au atoms.
More general an option to switch off the correction between any kind of atoms.
I've seen this option in FHI-aims.
So is there anything similar in VASP, the manual don't give anything to me ...
Thanks in advance