mp-754377/K4TiO4/harm

Harmonic properties

../../_images/fig_bandos_pr3855.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5108.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3855.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23669.png

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

Summary

../../_images/fig_times6661.png

(a) Computation time