I have a question on how the contribution of the Hubbard U depends on the pseudopotential. My understanding is that the penalty applied to the total energy with DFT+U is dependent on a projection of a basis set. My question is whether this basis set is determined by the pseudopotential.
- Zhongnan -- Zhongnan Xu, PhD Candidate Department of Chemical Engineering Carnegie Mellon University zhongnanxu at cmu.edu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140523/e7bb7cef/attachment.html
