mp-18540-2/CsEr2Cu3S5/harm

Harmonic properties

../../_images/fig_bandos_pr13911.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18307.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13911.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213539.png

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

Summary

../../_images/fig_times23312.png

(a) Computation time