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 --------- Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>		2024-06-03 15:00:01 -04:00
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elktools	[build] fix intel f2py build of elk converter (#249)	2024-03-08 11:06:53 -05:00
plovasp	[vasp] change normion default to False	2023-07-24 11:30:39 -04:00
__init__.py	update documentation to use autosummary	2022-03-02 14:13:12 -05:00
converter_tools.py	[doc] fixes for Vasp interface and general doc fix	2023-06-19 17:30:02 -04:00
elk.py	[doc] fixes for Vasp interface and general doc fix	2023-06-19 17:30:02 -04:00
hk.py	fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)	2023-01-23 15:40:57 -05:00
vasp.py	[VaspConverter] fix mapping from shell/ions to corr-shells	2023-03-27 18:55:10 +02:00
wannier90.py	read wannier centres and symmetry kpath from w90 (#253)	2024-06-03 15:00:01 -04:00
wien2k.py	fix: np.int / np.float / np. complex are depracted (np v1.20) / removed (np v1.24)	2023-01-23 15:40:57 -05:00