mp-1189356/LuAgSe2/harm

Harmonic properties

../../_images/fig_bandos_pr15917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20326.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15916.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215512.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26218.png

(a) Computation time