mp-561062/NaSb3P2O10/harm

Harmonic properties

../../_images/fig_bandos_pr7628.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10719.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7628.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27391.png

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

Summary

../../_images/fig_times13487.png

(a) Computation time