mp-10074/GeSe2/harm

Harmonic properties

../../_images/fig_bandos_pr494.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos442.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo494.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2419.png

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

Summary

../../_images/fig_times749.png

(a) Computation time