Damping parameters & cutoff radii in vdW calculations
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Damping parameters & cutoff radii in vdW calculations
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.
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: Damping parameters & cutoff radii in vdW calculations
Hi,
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