71 research outputs found
Interface tool from Wannier90 to RESPACK: wan2respack
We develop the interface tool , which connects
(software that derives the low-energy effective Hamiltonians
of solids) with (software that constructs Wannier
functions). converts the Wannier functions obtained by
into those used in , which is then used to
derive the low-energy effective Hamiltonians of solids. In this paper, we
explain the basic usage of and show its application to
standard compounds of correlated materials, namely, the correlated metal
SrVO and the high- superconductor LaCuO. Furthermore, we
compare the low-energy effective Hamiltonians of these compounds using Wannier
functions obtained by and those obtained by
. We confirm that both types of Wannier functions give the same
Hamiltonians. This benchmark comparison demonstrates that
correctly converts Wannier functions in the format into
those in the format.Comment: 10 pages, 6 figure
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