mp-17620-2/TmBO3/harm

Harmonic properties

../../_images/fig_bandos_pr13962.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18343.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13962.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213590.png

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

Summary

../../_images/fig_times23382.png

(a) Computation time