mp-674804-2/Sm2PbSe4/harm

Harmonic properties

../../_images/fig_bandos_pr5196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7409.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5196.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25001.png

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

Summary

../../_images/fig_times9340.png

(a) Computation time