[Wannier] Question: The matrix of tight-bounding parameters is not Hermitian

Lithium sslwan3283056 at icloud.com
Mon Aug 9 15:12:46 CEST 2021


Dear professors,
        I used wannier90 to fit the energy band of a system, and the result was very good, Wannier function is also localized. But I found that the transition matrix of the orbital between the two atoms which is given by wannier90_hr.dat  is not Hermitian. Excuse me, why is this? And what should I do?


Look forward to your reply.

Best,
Lithium
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