Title of article
Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions Original Research Article
Author/Authors
Jan Kune?، نويسنده , , Ryotaro Arita، نويسنده , , Philipp Wissgott، نويسنده , , Alessandro Toschi، نويسنده , , Hiroaki Ikeda، نويسنده , , Karsten Held، نويسنده ,
Issue Information
ماهنامه با شماره پیاپی سال 2010
Pages
8
From page
1888
To page
1895
Abstract
We present an implementation of an interface between the full-potential linearized augmented plane wave package Wien2k and the wannier90 code for the construction of maximally localized Wannier functions. The FORTRAN code and a documentation is made available and results are discussed for SrVO3, Sr2IrO4 (including spin–orbit coupling), LaFeAsO, and FeSb2.
Keywords
WIEN2k , Wannier90 , Electronic structure , Density functional theory , Wannier functions , Augmented plane waves
Journal title
Computer Physics Communications
Serial Year
2010
Journal title
Computer Physics Communications
Record number
1138049
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