Thermal lines and special displacements with YamboPy: Difference between revisions
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<ref name='monserrat'>[https://arxiv.org/abs/1512.06377 Vibrational averages along thermal lines], | <ref name='monserrat'>[https://arxiv.org/abs/1512.06377 Vibrational averages along thermal lines], | ||
Bartomeu Monserrat, Phys. Rev. B '''93''', 014302 (2016)</ref> | Bartomeu Monserrat, Phys. Rev. B '''93''', 014302 (2016)</ref> | ||
<ref name='marios'>[https://arxiv.org/abs/1912.10929 Theory of the special displacement method for electronic structure calculations at finite temperature], | |||
Marios Zacharias, Feliciano Giustino, Phys. Rev. Research '''2''', 013357 (2020)</ref> | |||
</references> | </references> | ||
Revision as of 07:03, 6 September 2025
THIS TUTORIAL IS FOR INTERNAL USE ONLY
In this tutorial we show how to generate Thermal Lines[1]. and Special Displacements with YamboPy and then use them to calculate different properties at finite temperature.
References
- ↑ Vibrational averages along thermal lines, Bartomeu Monserrat, Phys. Rev. B 93, 014302 (2016)
Cite error: <ref> tag with name "marios" defined in <references> is not used in prior text.