[CP2K-user] [CP2K:21549] CP2K+WANNIER90

[Virginia Carnevali]

Hi,

I would like to interface CP2K with Wannier90 to print the system's 
Hamiltonian on the Wannier wavefunction basis.
However, I am getting an error when reading the overlaps from the .mmn 
file, and I cannot figure out how to resolve it.

Also, I would like to know if it is possible to include the two lines of 
Wannier90 in the input file generated automatically by CP2K.
write_xyz = true
write_hr = true.
Using the Wannier90 syntax, these two lines of code would generate two 
files: one with the Wannier centers and one with the Wannier Hamiltonian.

I have attached my files here.

Thank you very much for your help.

Best,
Virginia

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