mp-21705/K2In3AgSe6/harm

Harmonic properties

../../_images/fig_bandos_pr13349.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17713.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13349.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212989.png

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

Summary

../../_images/fig_times22496.png

(a) Computation time