mp-861866/KNdGeS4/harm

Harmonic properties

../../_images/fig_bandos_pr1764.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1781.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1764.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21595.png

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

Summary

../../_images/fig_times2696.png

(a) Computation time