mp-13182-2/Li2TiGeO5/harm

Harmonic properties

../../_images/fig_bandos_pr14844.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19218.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14844.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214462.png

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

Summary

../../_images/fig_times24637.png

(a) Computation time