mp-680410/K3Nb2S11/harm

Harmonic properties

../../_images/fig_bandos_pr5164.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7361.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5164.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24969.png

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

Summary

../../_images/fig_times9281.png

(a) Computation time