mp-1215607/Zr2TiSnO8/harm

Harmonic properties

../../_images/fig_bandos_pr15514.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19903.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15513.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215109.png

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

Summary

../../_images/fig_times25637.png

(a) Computation time