mp-18075/Na2TiF6/harm

Harmonic properties

../../_images/fig_bandos_pr13766.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18150.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13766.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213394.png

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

Summary

../../_images/fig_times23088.png

(a) Computation time