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Author SHA1 Message Date
Chia-Nan Yeh
b8a667b3a1
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

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Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
2024-06-03 15:00:01 -04:00