mp-758742-2/KYH8N4/harm

Harmonic properties

../../_images/fig_bandos_pr3006.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3837.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3006.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22826.png

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

Summary

../../_images/fig_times5137.png

(a) Computation time