mp-14390/Na3GaP8O23/anharm

Equation of state

../../_images/fig_bm7400.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14788.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19159.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14788.png

(c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc214406.png

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

Summary

../../_images/fig_times24555.png

(a) Computation time