mp-1222721/LaTiAlPbO6/harm

Harmonic properties

../../_images/fig_bandos_pr15327.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15326.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214933.png

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

Summary

../../_images/fig_times25353.png

(a) Computation time