mp-6548/K2La2Ti3O10/harm

Harmonic properties

../../_images/fig_bandos_pr6463.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6463.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26253.png

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

Summary

../../_images/fig_times11625.png

(a) Computation time