mp-9275/Th2Ta6O19/harm

Harmonic properties

../../_images/fig_bandos_pr1419.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1331.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1419.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21271.png

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

Summary

../../_images/fig_times2133.png

(a) Computation time