mp-1190785/CsDy2Cu3S5/harm

Harmonic properties

../../_images/fig_bandos_pr16019.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20437.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16018.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215614.png

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

Summary

../../_images/fig_times26372.png

(a) Computation time