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Writing Hamiltonian with sisl from Wannier

Open monx-ne opened this issue 2 months ago • 3 comments

We are trying to write a .nc file for a tbtrans simulation using a Hamiltonian read with sisl (0.14.3) from a Wannier90 run. Since the Wannier90 Hamiltonian has complex terms, we run into the following message:

NotImplementedError: Currently we only allow writing a floating point Hamiltonian to the Siesta format

Is there a fundamental reason why it can not be complex? Is this issue related to siesta, sisl or tbtrans?

Also @nils-wittemeier might know/be interested in this issue. This might be relevant for studying other Hamiltonians that have complex terms, for instance topological insulators.

monx-ne avatar Apr 24 '24 13:04 monx-ne