mp-648932/Nb2PS10/harm

Harmonic properties

../../_images/fig_bandos_pr5311.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7615.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5311.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25116.png

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

Summary

../../_images/fig_times9585.png

(a) Computation time