mp-540788/K2Mo3O10/harm

Harmonic properties

../../_images/fig_bandos_pr9719.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13595.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9719.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29479.png

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

Summary

../../_images/fig_times16909.png

(a) Computation time