Wannier.jl
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qiaojunfeng
A playground for Wannier functions
Hi Junfeng! The last Wannier.jl release v0.3.3 from December 2023 is failing to precompile on Julia nightly. This currently causes the DFTK nightly tests to fail ([for example here](https://github.com/JuliaMolSim/DFTK.jl/actions/runs/10185668612/job/28175713520)) I...
[https://wannierjl.org/dev/theory/fourier/](https://wannierjl.org/dev/theory/fourier/) 
Hello, I am very interested in using Wannier.jl code. Thanks for building this nice package! I got a problem when trying to write the tight-binding Hamiltonian to the tb.dat file...
Hello Junfeng, I have some questions about the Wannier spreads and the overlap of the spin up/down Wannier functions when doing the co-optimization. The files related to this quesion can...
Dear Wannier.jl developers, I am trying to obtain real-space position operator matrix elements between the WFs of different cells, e.g. . I checked position_op, but it seems it does only...
Hello, I tried using the latest version of Wannier.jl (`main` branch), however it looks like the refactoring wasn't fully completed: ```jl U = disentangle(wannier_model) ``` ``` type Model has no...
Exchanges are working. Code is a bit ugly here and there but I'm not sure if much cleanup is warranted before the rest of the magnetic involved codebase is finalized....
I wonder if this uses outputs (e.g., pseudo-wavefuntions) from Quantum ESPRESSO (QE) or Vasp? QE bundles with `pw2wannier90`. I am a beginner on MLWF. Please advice
Hi, Thanks for making this code available. I can see there are different functionalities available but I want to ask if it is possible to obtain real-space eigenstates (wavefunctions) using...
Something similar to [DFTK `Term`](https://github.com/JuliaMolSim/DFTK.jl/blob/master/src/terms/terms.jl), so we can unify the treatment of different spread functionals and keep using a single `Model`. In addition, would be great to follow the design...
