Linear Response U
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Linear Response U
Dear all,
I calculated the Hubbard U values according to Cococcioni's paper Phys. Rev. B 71, 035105.
https://doi.org/10.1103/PhysRevB.71.035105
But the results I got are always ~2eV larger than that in this paper. Have you ever tried this approach and know what is the reason?
I calculated the Hubbard U values according to Cococcioni's paper Phys. Rev. B 71, 035105.
https://doi.org/10.1103/PhysRevB.71.035105
But the results I got are always ~2eV larger than that in this paper. Have you ever tried this approach and know what is the reason?
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- Global Moderator
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Re: Linear Response U
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