mp-42190/K2NaTiOF5/harm

Harmonic properties

../../_images/fig_bandos_pr10210.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14146.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10210.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29961.png

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

Summary

../../_images/fig_times17666.png

(a) Computation time