Van der Waals interaction calculation with VASP
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hroSP
Van der Waals interaction calculation with VASP
Do you any paper where Van der Waals interaction calculation with VASP is published.
Last edited by hroSP on Tue Jul 05, 2005 12:37 pm, edited 1 time in total.
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admin
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Van der Waals interaction calculation with VASP
Van der Waals interactions are not accounted for sufficiently by most DFT codes,
including VASP
including VASP
Last edited by admin on Tue Jul 05, 2005 2:32 pm, edited 1 time in total.
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hroSP
Van der Waals interaction calculation with VASP
[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.
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.
Last edited by hroSP on Tue Jul 05, 2005 4:42 pm, edited 1 time in total.