mp-677233/NaAl3Tl2Si3O12/harm

Harmonic properties

../../_images/fig_bandos_pr5108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7233.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5108.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24913.png

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

Summary

../../_images/fig_times9138.png

(a) Computation time