mp-15316-2/SrMgF4/harm

Harmonic properties

../../_images/fig_bandos_pr14623.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19003.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14623.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214242.png

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

Summary

../../_images/fig_times24329.png

(a) Computation time