mp-18981-2/Sr2CaWO6/harm

Harmonic properties

../../_images/fig_bandos_pr13658.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18028.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13658.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213286.png

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

Summary

../../_images/fig_times22934.png

(a) Computation time