mp-675420/Pr4Ag2Se7/harm

Harmonic properties

../../_images/fig_bandos_pr5227.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7462.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5227.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25032.png

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

Summary

../../_images/fig_times9404.png

(a) Computation time