mp-867322/Pr3SiAgS7/harm

Harmonic properties

../../_images/fig_bandos_pr1317.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1237.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1317.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21173.png

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

Summary

../../_images/fig_times1981.png

(a) Computation time