[Wannier] Symmetry adapted wannier functions

[Oier Arcelus]

Dear All,


I am trying to calculate symmetry adapted wannier functions in order to get my wannier functions of a concrete subset of bands centered at the exact atomic positions. I run pw2wannier and get the .amn .dmn. mmn. and .eig files, and then run wannier.x with the site_symmetry = .true. tag. When I calculate the interpolated band structure the match is almost perfect with the original bandstructure. However when I plot the wannier functions, both symmetry- and non-symmetry adapted wannier functions look almost the same, and indeed the centers of my WFs are not the same as the atomic positions in the symmetry adapted case. Looking at the .dmn file it looks like wannier90 idoes not detect the symmetry of the structure as the header of the file is the following.


Created on 28Mar2017 at 13:52:43


170 1 40 40


.

.

.

You can see that the amount of symmetry operations is 1, which is not okey (I have a structure with spatial group Pnma). Also the amount of irreducible k-points is 40, and from the QE calculation I can find that taking the symmetry into account is 18.


Am I missing something?


Best regards,


Oier.
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