mp-1043837/MgTiSbP3O12/harm

Harmonic properties

../../_images/fig_bandos_pr17022.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21348.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17021.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216574.png

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

Summary

../../_images/fig_times27744.png

(a) Computation time