mp-18764-2/Ba2SrWO6/harm

Harmonic properties

../../_images/fig_bandos_pr13607.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17968.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13607.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213235.png

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

Summary

../../_images/fig_times22862.png

(a) Computation time