mp-1229027/AlCuSnSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15154.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19543.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15153.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214769.png

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

Summary

../../_images/fig_times25089.png

(a) Computation time