[ase-users] "get_hopping" funtion in Wannier class

[古孟文]

Dear ase-users,

I’m trying to practice the module Wannier.  I found that the Hamiltonian matrix returned by “get_hopping” function in Wannier class (i.e. Wannier.get_hopping) is not always the same.  That is, positions of matrix elements corresponded to specified Wannier orbitals may change when starting a new calculation.  As a result, I have to check the Hamiltonian matrix with Wannier orbitals every times.  I would like to wonder if there any method to
1) make the Hamiltonian matrix fixed at every calculation, or

2) arrange the matrix elements in a customized order.



Any recommendations would be greatly appreciated.



Best regards,

Mong-Wen Gu

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