mp-561124/Ho3Se4O12F/harm

Harmonic properties

../../_images/fig_bandos_pr7316.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10299.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7316.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27080.png

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

Summary

../../_images/fig_times12982.png

(a) Computation time