[QE-users] pw2wannier allowed pseudopotentials

[Edward Trewick]

Hi all,

I am attempting to calculate magnetic properties of the rare earth mono-nitride GdN using Wannier90, using the pw2wannier code to generate the appropriate input from an scf calculation.
When attempting this, pw2wannier fails with an error
      write_uHu and write_uIu not yet implemented with USP
where I understand USP to be Ultra-Soft Pseudopotential, and is mostly self explanatory, however leaves me with a question.

Which pseudopotential types can I use with pw2wannier?
In particular, will multiple projector NC - PAW pseudopotentials work?

The potential I attempted the calculation with was a (relativisitic) PAW USPP.
From the examples, I see that Norm Conserving (NC) potentials work with pw2wannier, but these are apparently difficult with the rare earths, so I would prefer to avoid them.
Also, I am curious as to why these things are not implemented for USPs. Does the US part of the PP somehow make calculating these matrix elements more difficult, or is it the writing of the file that is the problem?

Any help or suggestions would be appreciated.
Thanks,

Ted Trewick
Honours Student
Victoria University of Wellington
New Zealand
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