mp-17243/Pr3CuSnSe7/harm

Harmonic properties

../../_images/fig_bandos_pr14222.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18621.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14222.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213850.png

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

Summary

../../_images/fig_times23773.png

(a) Computation time