mp-557003/Sn5W8O22/harm

Harmonic properties

../../_images/fig_bandos_pr8348.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11738.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8348.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28110.png

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

Summary

../../_images/fig_times14665.png

(a) Computation time