mp-1192032/NaSr3Be3B3O9F4/harm

Harmonic properties

../../_images/fig_bandos_pr15767.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20129.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15766.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215362.png

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

Summary

../../_images/fig_times25964.png

(a) Computation time