mp-618991/Cu2S/harm

Harmonic properties

../../_images/fig_bandos_pr6048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8903.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25839.png

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

Summary

../../_images/fig_times11073.png

(a) Computation time