mp-553883/Ba3WCl2O5/harm

Harmonic properties

../../_images/fig_bandos_pr9203.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12904.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9203.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28965.png

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

Summary

../../_images/fig_times16050.png

(a) Computation time