mp-28802/Sr4Zn3F14/harm

Harmonic properties

../../_images/fig_bandos_pr11638.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15646.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11638.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211350.png

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

Summary

../../_images/fig_times19802.png

(a) Computation time