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@jimustafa wrote
"Is it possible to just use the mp_grid parameter to generate the kpoints for the NNKP file and internally? Having both the mp_grid and kpoints seems redundant, but I am probably mi…
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Hi All,
I am currently working on utilizing Wannierberri to calculate the spin Hall conductivity of various materials. As part of my preliminary efforts, I conducted benchmarking by performing calc…
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Related: #3477 and #3478.
In `aiida-wannier90`, input files can have the following attributes:
- required or optional
- files that always need to be copied, vs. ones that can be symlinked if po…
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Dear Mr.Xu
Lately I have downloaded and used this banddownfolder project. I copied the tutorial code as script and modified some parameters such as folder, prefix, methd, kmesh and kverctors. T…
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Dear Developers,
I often like to transfer the Wannier90 results obtained on Linux to a Windows system for further research. I want to ask if HopTB can run well on Windows? Also, I would like to inq…
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Dear Sir/Madam,
Inside the aiida workflow, pip install -e . command gives an error message of " ERROR: Package 'aiida-wannier90-workflows' requires a different Python: 3.7.13 not in '>=3.8'. I am n…
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Right now this does not work due to an error thrown by Wannier90. Maybe there is a workaround just like the case of the B1 check.
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Dear DCore developers,
first of all thank you for the great code and the nice examples. I would like to know, if it is possible to read in a spin-polarized LDA calculation into DCore (starting from…
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https://github.com/wannier-berri/Wannier2022/blob/main/advanced/fermi_sea_vs_fermi_surface/tutorial_sea_vs_surface.ipynb
I added a tutorial comparing Fermi sea and Fermi surface methods for Berry c…
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Installing simulation codes via conda (from the conda-forge channel) looks like a very promising way forward (keywords: dependency management, multi-platform support, multi-language support, automated…