mp-14322/Ba3Tm4O9/harm

Harmonic properties

../../_images/fig_bandos_pr14754.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19122.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14754.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214372.png

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

Summary

../../_images/fig_times24511.png

(a) Computation time