mp-17714/Ho4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr13991.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18372.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13991.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213619.png

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

Summary

../../_images/fig_times23422.png

(a) Computation time