mp-555865/Na2Sr7Al6F34/harm

Equation of state

../../_images/fig_bm4388.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8695.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12217.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8695.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28456.png

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

Summary

../../_images/fig_times15234.png

(a) Computation time