mp-13001-2/Ba2HoTaO6/harm

Equation of state

../../_images/fig_bm7540.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15165.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19556.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15164.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214780.png

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

Summary

../../_images/fig_times25106.png

(a) Computation time