mp-14837/Sm4Si2Se3O7/harm

Harmonic properties

../../_images/fig_bandos_pr14537.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18891.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14537.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214156.png

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

Summary

../../_images/fig_times24196.png

(a) Computation time