mp-1045422/MgCo2S4/harm

Harmonic properties

../../_images/fig_bandos_pr17049.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21395.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216601.png

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

Summary

../../_images/fig_times27795.png

(a) Computation time