mp-686583/Na5Zr4Si3P3O24/harm

Harmonic properties

../../_images/fig_bandos_pr5031.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7075.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5031.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24836.png

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

Summary

../../_images/fig_times8968.png

(a) Computation time