mp-18549/Ba6Mg7F26/harm

Harmonic properties

../../_images/fig_bandos_pr13914.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13914.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213542.png

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

Summary

../../_images/fig_times23315.png

(a) Computation time