mp-541162/Ba2Mg3F10/harm

Harmonic properties

../../_images/fig_bandos_pr9482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13265.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29243.png

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

Summary

../../_images/fig_times16492.png

(a) Computation time