mp-10074-2/GeSe2/harm

Equation of state

../../_images/fig_bm157.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos443.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2420.png

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

Summary

../../_images/fig_times750.png

(a) Computation time