mp-1106310/Cu2SiHgS4/harm

Harmonic properties

../../_images/fig_bandos_pr16269.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20708.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16268.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215862.png

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

Summary

../../_images/fig_times26767.png

(a) Computation time