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https://github.com/triqs/dft_tools
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b8a667b3a1
This PR/ commit adds two new features to the w90 converter stored to the h5 archive: 1. Centres of Wannier functions: This can be obtained using the `read_wannier90_centres()` function. This would also be useful if one wants to shift Wannier centres back to the home unit cells on-the-fly in `dft_tool`. 2. High-symmetry k-path for band structure: This can be obtained using the `read_wannier90_symm_kpath()` function. changes: * read wannier centres and symmetry kpath from w90 * [fix] w90convert test after fix for kpt_basis stor --------- Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org> |
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| .. | ||
| converters | ||
| __init__.py | ||
| block_structure.py | ||
| clear_h5_output.py | ||
| CMakeLists.txt | ||
| sumk_dft_tools.py | ||
| sumk_dft_transport.py | ||
| sumk_dft.py | ||
| symmetry.py | ||
| trans_basis.py | ||
| util.py | ||
| version.py.in | ||