mp-22988-2/CsGeCl3/harm

Equation of state

../../_images/fig_bm6587.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13173.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17569.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13173.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212831.png

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

Summary

../../_images/fig_times22248.png

(a) Computation time