VASP Forum

Dear VASP users,

I am trying to construct symmetry-adapted Wannier functions with VASP and Wannier90, using the following keyword in my .win file

site_symmetry = .true.

From the Wannier90 documentation, this requires the file seedname.dmn. However, when I run the calculation, VASP produces the usual seedname.mmn, seedname.amn, and seedname.eig files, but no seedname.dmn.

My understanding is that Quantum ESPRESSO’s pw2wannier90 writes this .dmn automatically or by means of

write_dmn=.true.

(which is not recognised in my case)

Unrecognised keyword(s) in input file, see also output file

Could you help me understand the issue?

Thank you for your help,
Marie

Dear Marie,

Thanks for reaching out to us on the VASP forum. Unfortunately, we do not currently support symmetry-adapted Wannier functions in VASP. We understand that this feature would be valuable, but the dmn file has not yet been implemented.