mp-532294/Er2CdSe4/harm

Harmonic properties

../../_images/fig_bandos_pr9660.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13505.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9660.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29421.png

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

Summary

../../_images/fig_times16802.png

(a) Computation time