mp-18719/KLuW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr13595.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17956.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213223.png

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

Summary

../../_images/fig_times22850.png

(a) Computation time