mp-18105/CsAgSe4/harm

Harmonic properties

../../_images/fig_bandos_pr13775.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18156.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13775.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213403.png

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

Summary

../../_images/fig_times23099.png

(a) Computation time