mp-12641/Ba2HoNbO6/harm

Equation of state

../../_images/fig_bm7652.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15678.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20054.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15677.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215273.png

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

Summary

../../_images/fig_times25856.png

(a) Computation time