mp-510569-2/CsCeCuS3/harm

Equation of state

../../_images/fig_bm4798.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9620.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13434.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9620.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29381.png

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

Summary

../../_images/fig_times16720.png

(a) Computation time