mp-13384/ErAgP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr14883.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19250.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14883.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214500.png

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

Summary

../../_images/fig_times24688.png

(a) Computation time