Find nodes calculations

[zx-sdu]

Dear WT development team and all users,

Recently i used Find Nodes calculations in the WannierTools to find all the nodes in the first BZ, the results fits well with my band structure. But when i want to find whether some open nodal arcs near the boundary of the first BZ are exactly  closed or open, i find the output always show the nodes of the first BZ no matter how i enlarge the parameter in the KCUBE_BULKof of the input file. For example, my expected output is the localized 3D nodal lines in the Fig. 5(c) of the paper “Topological Dirac nodal-net fermions in AlB2-type TiB2 and ZrB2“. I wonder how to get the full nodal lines at the boundary of first BZ.

I’am looking forward to everyone’s suggestions. Thank you very much!

[Brook]

Hi zi-sdu,

WannierTools will shift the coordinates of the nodes into the 1st BZ. If there are some nodes on the boundary, there should be some nodes. you can shift the points in the nodes.dat by lattice vector to get more nodes in other BZ.

[zx-sdu]

Dear Professor Quansheng Wu:

Thank you for your suggestions. I did the translation in the TiB2 system, and the result is exactly the same with the literature, and according to the suggestion, i have also completed the results of my system.

 

Best regards,

zx-sdu

[Author]

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