mp-16972-2/CsErSiS4/harm

Equation of state

../../_images/fig_bm7085.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14142.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18535.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14142.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213770.png

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

Summary

../../_images/fig_times23652.png

(a) Computation time