mp-558862/NaGe4P3O12/harm

Harmonic properties

../../_images/fig_bandos_pr8107.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11405.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8107.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27869.png

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

Summary

../../_images/fig_times14285.png

(a) Computation time