[Wannier] Overlap matrix of a 3D crystal on the Kx-Ky plane

[Ali Dehghan]

​Dear Wannier90 developers,

For a part of my work, I need to calculate the overlap matrices (Mmn) of a 3D crystal, but I have to compute these separately on any closed 2D manifold lying in the 3D BZ. For example, I want to calculate Mmn on the Kx-Ky plane lying at some Kz. To do this, the K and b vectors must be changed only on the Kx-Ky plane. My question is that how can I explicitly specify this constraint? 

Using the user guide, I tried to prepare the input files. Please find the attached these files and let's me know your comments.   




I would appreciate your prompt response.




 





Sincerely yours,






 







Ali Dehghan,  


Shiraz university, Iran.



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