mp-1194272/ZrF4/harm

Harmonic properties

../../_images/fig_bandos_pr15865.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20273.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15864.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215460.png

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

Summary

../../_images/fig_times26145.png

(a) Computation time