mp-14837-2/Sm4Si2Se3O7/harm

Equation of state

../../_images/fig_bm7271.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14538.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18892.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14538.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214157.png

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

Summary

../../_images/fig_times24197.png

(a) Computation time