mp-1192364/HgTe2O2F10/harm

Harmonic properties

../../_images/fig_bandos_pr15785.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20152.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15784.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215380.png

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

Summary

../../_images/fig_times25992.png

(a) Computation time