mp-10796-2/HgSeO4/harm

Harmonic properties

../../_images/fig_bandos_pr653.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos554.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo653.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2564.png

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

Summary

../../_images/fig_times948.png

(a) Computation time