mp-6144/Na2La2Ti3O10/harm

Harmonic properties

../../_images/fig_bandos_pr6280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9143.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26070.png

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

Summary

../../_images/fig_times11394.png

(a) Computation time