mp-8179/LiTlO2/harm

Harmonic properties

../../_images/fig_bandos_pr2058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2116.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21879.png

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

Summary

../../_images/fig_times3173.png

(a) Computation time