mp-766098/LiTi3SbP6O24/harm

Harmonic properties

../../_images/fig_bandos_pr2735.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3353.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2735.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22556.png

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

Summary

../../_images/fig_times4584.png

(a) Computation time