mp-1105527/ZnCu2GeS4/harm

Harmonic properties

../../_images/fig_bandos_pr16224.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20676.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16223.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215817.png

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

Summary

../../_images/fig_times26705.png

(a) Computation time