mp-1188845/K2Ag2GeSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15887.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20300.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15886.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215482.png

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

Summary

../../_images/fig_times26179.png

(a) Computation time