mp-556062/NaNb4Tl3P2O17/harm

Harmonic properties

../../_images/fig_bandos_pr8752.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8752.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28513.png

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

Summary

../../_images/fig_times15335.png

(a) Computation time