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mirror of https://github.com/triqs/dft_tools synced 2024-10-31 11:13:46 +01:00
dft_tools/test
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
..
c++ [doc] fixes for Vasp interface and general doc fix 2023-06-19 17:30:02 -04:00
python read wannier centres and symmetry kpath from w90 (#253) 2024-06-03 15:00:01 -04:00
CMakeLists.txt elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00