mp-30962/K4Ge9O20/harm

Harmonic properties

../../_images/fig_bandos_pr11133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15095.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11133.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210850.png

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

Summary

../../_images/fig_times19035.png

(a) Computation time