mp-13516/TmAl3B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr14888.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19254.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14888.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214505.png

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

Summary

../../_images/fig_times24694.png

(a) Computation time