mp-733508-2/SmH5Se2O8/harm

Harmonic properties

../../_images/fig_bandos_pr4067.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5448.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4067.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23880.png

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

Summary

../../_images/fig_times7062.png

(a) Computation time