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When I used wannier90_r.dat and wannier90_hr.dat to calculate transport, I noticed that _r.dat is not Hermitian, so it will bring some wrong results. When I force it to be Hermitian, its The results a…
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I am applying DMFT to bulk Ca2N through QE. There are three atoms/cell with 25 electrons/cell. The Ca2N s-states form the only band within 0.5eV of the Fermi level and this band is half filled.
A t…
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Hi @lxvm , many thanks for your package, it's very neat! I'm currently attempting to use it and need to contract a series along the first dimension, and hitting the `error("not implemented")` error. C…
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Dear developers,
I encountered an issue when using the mmn2uHu utility in WannierBerri. I ran the following command to generate files for specific bands:
`python3 -m wannierberri.utils.mmn2uHu wan…
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While I was debugging using the Wannier90 parser, I got some errors to be fixed (see [nomad-parser-wannier90#3](https://github.com/FAIRmat-NFDI/nomad-parser-wannier90/pull/3)):
- [ ] Change order o…
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Dear Sir,
I have run successfully the given example of symmetrization for Fe in wannierberrie. But I am confused with making such npz files for any material. Can you guide me with this issue please w…
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Is there a function that we could read Wannier_hr.dat file to construct the tight binding model? Thanks a lot!
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On Ubuntu 22.04.4 LTS, I tried to compile the wannier90 `v3.1.0` release with intel oneapi 2023.2.0 and I noticed that there are most parallel benchmark tests failed, as shown below:
```shell
wern…
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it seems there exist some issues in wannier90 jx calculation.
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I have calculated the bandstructure from wannier 90. So i don't have vasprun.xml which has been calculated along a high symmetry path. How sumo-bandstats works in that case in order to calculate the …