Publication date: Jun 29, 2022
We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized framework and the self-consistent inclusion of spin-orbit coupling that allow to model complex magnetic excitations. The spin susceptibility matrix is computed using the Lanczos recursion algorithm that is implemented in two flavors - the non-Hermitian and the pseudo-Hermitian one. turboMagnon is open-source software distributed under the terms of the GPL as a component of QE. As with other components, turboMagnon is optimized to run on massively parallel architectures using native mathematical libraries (LAPACK and FFTW) and a hierarchy of custom parallelization layers built on top of MPI. The effectiveness of the code is showcased by computing magnon dispersions for the CrI₃ monolayer, and the importance of the spin-orbit coupling is discussed.
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README.txt
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3.0 KiB | The README.txt file describes the content of "CODE_TURBOMAGNONS.zip" |
CODE_TURBOMAGNON.zip
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144.7 MiB | This is a collection of input files and output files which were used to produce all the data reported |
2022.89 (version v1) [This version] | Jun 29, 2022 | DOI10.24435/materialscloud:6j-kd |