mp-41918/SrLaNbZnO6/harm

Harmonic properties

../../_images/fig_bandos_pr10202.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14137.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10202.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29953.png

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

Summary

../../_images/fig_times17657.png

(a) Computation time