mp-20817/GePtSe/harm

Harmonic properties

../../_images/fig_bandos_pr13504.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17867.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13504.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213139.png

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

Summary

../../_images/fig_times22720.png

(a) Computation time