mp-1020724/Na7Al4P9O32/harm

Harmonic properties

../../_images/fig_bandos_pr133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos167.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo133.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2132.png

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

Summary

../../_images/fig_times232.png

(a) Computation time