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MP2 calculations

Posted: Mon Nov 02, 2009 6:20 pm
by pepsi
Does anyone have an idea about how to do MP2 calculations though it is still experimental? There is very little information in the VASP guide.

Or if there is a way to access very accurate enthalpy of formation or cohesive energy of small molecules or some simple oxide crystals currently built within VASP? Like HSE06 (too slow and not very accurate from my results) or other Hartree Fock type calculations?

Many thanks,

Re: MP2 calculations

Posted: Wed Sep 11, 2024 2:10 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP