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Underestimated heat of formation
Posted: Fri May 01, 2009 9:20 pm
by shurab
Did anybody perform in VASP a test calculation of heat of formation of GaN in WZ structure? I used several GGA PAWs for Ga. Results of the calculation muGa(alphaGabulk)+muN(N2)-mu(GaNbulk) is ~ 3 times less than the experimental one?
Re: Underestimated heat of formation
Posted: Wed Sep 11, 2024 2:01 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.
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VASP