mp-14/Se/harm

Harmonic properties

../../_images/fig_bandos_pr319.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos320.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo319.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2265.png

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

Summary

../../_images/fig_times521.png

(a) Computation time