mp-7714/Li4UO5/anharm

Space group: I4/m (87)
Link: Materials Project
Download: mp-7714.tar.gz

Harmonic properties

../../_images/fig_bandos_pr4636.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6455.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo4636.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all2007.png — (a) Grüneisen parameters

../../_images/fig_gruneisen2007.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc24448.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times8231.png — (a) Computation time