mp-28918/Sb2WO6/harm

Harmonic properties

../../_images/fig_bandos_pr11677.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15676.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11677.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211389.png

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

Summary

../../_images/fig_times19858.png

(a) Computation time