mp-571010/CsErTa6Br18/harm

Harmonic properties

../../_images/fig_bandos_pr6886.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9867.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6886.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26667.png

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

Summary

../../_images/fig_times12353.png

(a) Computation time