mp-867334/KYGeS4/harm

Harmonic properties

../../_images/fig_bandos_pr1320.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1240.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1320.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21176.png

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

Summary

../../_images/fig_times1984.png

(a) Computation time