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Van der Waals interaction calculation with VASP
Posted: Tue Jul 05, 2005 12:37 pm
by hroSP
Do you any paper where Van der Waals interaction calculation with VASP is published.
Van der Waals interaction calculation with VASP
Posted: Tue Jul 05, 2005 2:32 pm
by admin
Van der Waals interactions are not accounted for sufficiently by most DFT codes,
including VASP
Van der Waals interaction calculation with VASP
Posted: Tue Jul 05, 2005 4:42 pm
by hroSP
[quote="admin"]Van der Waals interactions are not accounted for sufficiently by most DFT codes,
including VASP[/quote]
I know that Van der Waals interactions are not accounted. But I wanted to know more about this. Therefore I asked for any paper where this topic is investigated. I have to know the magnitude of the effect of the missing Van der Waals interaction compared with the VASP calculated forces.