mp-18672/CsDy2Cu3Se5/harm

Harmonic properties

../../_images/fig_bandos_pr13583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17942.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213211.png

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

Summary

../../_images/fig_times22834.png

(a) Computation time