mp-29295-2/Sr3Sb4S9/harm

Equation of state

../../_images/fig_bm5608.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11479.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11479.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211194.png

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

Summary

../../_images/fig_times19566.png

(a) Computation time