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dft_tools/test/python/w90_convert/SrVO3_col_band.labelinfo.dat

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read wannier centres and symmetry kpath from w90 (#253) 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>
2024-06-03 21:00:01 +02:00
G 1 0.0000000000 0.0000000000 0.0000000000 0.0000000000
X 101 0.8140161212 0.5000000000 0.0000000000 0.0000000000
M 201 1.6280322423 0.5000000000 0.5000000000 0.0000000000
G 342 2.7792248809 0.0000000000 0.0000000000 0.0000000000
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