mp-23980-2/Cs3HSe2O8/harm

Equation of state

../../_images/fig_bm6266.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12589.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16937.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12589.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212287.png

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

Summary

../../_images/fig_times21387.png

(a) Computation time