mp-557436/NaNb2PS10/harm

Harmonic properties

../../_images/fig_bandos_pr8437.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11848.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8437.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28199.png

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

Summary

../../_images/fig_times14802.png

(a) Computation time