mp-1222718/LaTi2TlO6/harm

Harmonic properties

../../_images/fig_bandos_pr15325.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19697.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15324.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214931.png

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

Summary

../../_images/fig_times25351.png

(a) Computation time