Damping parameters & cutoff radii in vdW calculations
Posted: Thu Jan 19, 2017 7:13 am
Hello,
I am new to using vdW corrections in VASP. I wish to use DFT+D3 correction method in VASP for the doped monolayer of transition metal dichalcogenide. Apart from IVDW flag, how to set damping parameters and cutoff radii correctly?
Thanks in advance,
Deepashri.
I am new to using vdW corrections in VASP. I wish to use DFT+D3 correction method in VASP for the doped monolayer of transition metal dichalcogenide. Apart from IVDW flag, how to set damping parameters and cutoff radii correctly?
Thanks in advance,
Deepashri.