mp-761745-2/SrCd2H16Br6O8/harm

Equation of state

../../_images/fig_bm1270.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2956.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3715.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2956.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22776.png

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

Summary

../../_images/fig_times5006.png

(a) Computation time