mp-14836/Pr4Si2Se3O7/harm

Harmonic properties

../../_images/fig_bandos_pr14535.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18889.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14535.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214154.png

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

Summary

../../_images/fig_times24194.png

(a) Computation time