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Units of zona #471

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verena-neufeld opened this issue Feb 15, 2024 · 0 comments
Open

Units of zona #471

verena-neufeld opened this issue Feb 15, 2024 · 0 comments
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verena-neufeld commented Feb 15, 2024 •
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In an effort to resolve a bug of a python interface to wannier90 in pyscf (pyscf/pyscf#2042), I am wondering what the units of zona are that are returned by libwannier90.setup. Is it always Ang^-1 as it mentions in the user guide? It seems to me that it can also be Bohr^-1. Thanks in advance for your help and clarifications.
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@jryates @verena-neufeld