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quanshengwu / wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:
http://www.wanniertools.org
GNU General Public License v3.0
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Nodal line calculations #90

Open bushra-lab opened 2 years ago

bushra-lab commented 2 years ago

Hi experts, I am looking to find Nodal lines in my materials. I used Gap_bulk_plane and added a path for this. It gives me energy states of 4 conduction and valance bands, fortunately, a Gnuplot file is also made during calculations. I am interested to plot this figure.

Screen Shot 2022-01-15 at 11 50 36 AM
Cloudiiink commented 2 years ago

I don't think using BulkGap_Plane_calc is a good idea in Nodal line plot. It requires much finer kmesh. The data generates from FindNodes_calc is quiet enough to plot this kind of figure. If you want to make it more beautiful, you also can do some interpolation.

bushra-lab commented 2 years ago

Thanks, Cloudiiink, It works for me. Though for one of the cases for hexagonal structure, nodal lines and Weyl points are a little out from the first Brillion Zone. I check and compare the input file with other cases and it is the same. Do you have an idea how it can be fixed?