mp-773025/H48PtW6C8N24O24/harm

Harmonic properties

../../_images/fig_bandos_pr2336.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2701.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2336.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22157.png

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

Summary

../../_images/fig_times3835.png

(a) Computation time