mp-13001/Ba2HoTaO6/harm

Harmonic properties

../../_images/fig_bandos_pr15164.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19555.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15163.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214779.png

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

Summary

../../_images/fig_times25105.png

(a) Computation time