mp-14389-2/Na3AlP8O23/harm

Harmonic properties

../../_images/fig_bandos_pr14787.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19158.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14787.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214405.png

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

Summary

../../_images/fig_times24554.png

(a) Computation time