mp-774417/Sn3P6WO24/harm

Harmonic properties

../../_images/fig_bandos_pr2403.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2804.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2403.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22224.png

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

Summary

../../_images/fig_times3941.png

(a) Computation time