mp-674350/TiPb9O11/harm

Harmonic properties

../../_images/fig_bandos_pr5186.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7388.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5186.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24991.png

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

Summary

../../_images/fig_times9316.png

(a) Computation time