mp-1078671/Sr2CaWO6/harm

Harmonic properties

../../_images/fig_bandos_pr16888.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21202.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16887.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216442.png

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

Summary

../../_images/fig_times27546.png

(a) Computation time