[Wannier] write_u_matrices

[Giovanni Pizzi]

Dear Oskar,
Indeed this is a known bug that we didn’t have the time to fix yet https://github.com/wannier-developers/wannier90/issues/139

You can either modify the source code and recompile, or as a workaround add, e.g., the following flag in the input:
write_hr = .true.

This should activate also the printing of the U matrices.

Note, however, that there might be another bug when printing U, depending on which version you are using (fixed in the develop branch: https://github.com/wannier-developers/wannier90/issues/144) - so you might want to check the content of the plot.F90 file, check that it has the “green” version from this commit
https://github.com/wannier-developers/wannier90/commit/991f07a1ac01a67950ab697bed978ae018e0bf2f
And recompile if needed.

Best,
Giovanni


--
Giovanni Pizzi
Theory and Simulation of Materials and MARVEL, EPFL
http://people.epfl.ch/giovanni.pizzi
http://nccr-marvel.ch/en/people/profile/giovanni-pizzi

On 10 Apr 2018, at 18:04, oskar vafek <vafek at magnet.fsu.edu<mailto:vafek at magnet.fsu.edu>> wrote:

Hello,

I manage to compile the example01 without a problem.
However, when I change the gaas.win file to include
write_u_matrices = true
nothing new is written out, and I get no error messages after compiling.
How do I get the U matrices after the convergence?

Thank you

Oskar

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