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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 points outside the first Brillouin zone #72

Open jkidd1 opened 3 years ago

jkidd1 commented 3 years ago

Dear WannierTools developers,

I am studying a nodal line semimetal and tried calculating the locations of nodes (FindNodes_calc = T). I used the same KCUBE_BULK given in the user guide, spanning the entire first Brillouin zone. In my Nodes.dat, I see that several of the k1, k2, and k3 have values less than -0.5 or greater than 0.5. How should I interpret this? I thought that the output should be in units of reciprocal lattice vectors.

bushra-lab commented 2 years ago

Hi, Hope you are doing good. Were you able to solve the issue? I am facing the same issue. Any suggestion will be very helpful.

jkidd1 commented 2 years ago

Hello! Yes, I eventually figured it out, but I don't remember exactly what the fix was since this was a year ago. When I get the chance, I will browse through my old project files and provide an update here.

bushra-lab commented 2 years ago

Thank you for your reply. I will be waiting for your resposne