mp-561623/Li4UO5/anharm

Space group: I4/m (87)
Link: Materials Project
Download: mp-561623.tar.gz

Harmonic properties

../../_images/fig_bandos_pr7429.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10458.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo7429.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all3117.png — (a) Grüneisen parameters

../../_images/fig_gruneisen3117.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc27193.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times13162.png — (a) Computation time