Dominik Gresch

Results 136 comments of Dominik Gresch

> So I guess the actual current fix is to force a max version on the protobuf version used to build the ansys-grpc-dpf module. Yes, I would recommend using the...

Which version of VASP and Wannier90 are you using here? And is this the provided VASP example, or another input? On a recent version of VASP and Wannier90, the provided...

What's the version of Wannier90 used? The `search_shells` parameter (together with the k-points line) in the Wannier90 input file should control how many overlap matrices are computed.

The following parameter seems a bit suspicious to me > exclude_bands : 1-24 as this means only bands 25-44 are considered in the calculation. Usually, this setting is used in...

Unlike a general Wannier90 calculation, for Z2Pack you will _additionally_ need to exclude the unoccupied bands. This is because Z2Pack calculates the hybrid WCC for all bands considered in the...

> can I specify in the input file that I want to take projections on Mo d and S p orbitals If memory serves me well, the initial projections don't...