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The corresponding relationship between the 2D slab highk with the 3D Bulk highk
Dear WT development team and all users,
Recently, i am working on reproducing the surface state of IrF4 system. After setting the correct surface card as the setting of the template input file, i did't know how to set the correct 2D kpath slab card. The main question is that how should i do to get ... Read more
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Find nodes calculations
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 ope... Read more
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The coordinate system of the output file in node line calculations
Dear all,
Recently, i perform the <span style="color: #ff0000;">Find nodes calculations</span> of the examples by Wanniertools. The output file contains two sets of kpoints (labeled by (kx, ky, kz), (k1, k2, k3)), which is shown as follows :
# local minimal position and the related e... Read more
Questions or bug reports >
Find nodes calculations
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 Read more
Questions or bug reports >
The coordinate system of the output file in node line calculations
Thank you for clarifying my confusion and your prompt reply. I have completed my recent work, which is indeed consistent the POSCAR. Read more
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