aiidateam / aiida-wannier90

AiiDA plugin for the Wannier90 code
https://aiida-wannier90.readthedocs.io
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Add parsing of .labelinfo.dat #82

Closed giovannipizzi closed 4 years ago

giovannipizzi commented 4 years ago

Wannier90 3.0 comes with a <SEEDNAME>.labelinfo.dat file that gives precise information on the location of the high-symmetry points along the k-points path. Additionally, the logic on which points to print has been changed partially.

For this reason, we should add a parser for this file, if it's there. I have an initial implementation that I gave to @qiaojunfeng and he'll take over from that.

greschd commented 4 years ago

Probably also needs to be added to the retrieved files, right?

giovannipizzi commented 4 years ago

@greschd yes, thanks! I had already mentioned to @qiaojunfeng