mp-676410-2/LuAgS2/harm

Harmonic properties

../../_images/fig_bandos_pr5303.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7588.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5303.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25108.png

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

Summary

../../_images/fig_times9557.png

(a) Computation time