mp-865466/TiH8N2F6/harm

Harmonic properties

../../_images/fig_bandos_pr1568.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1493.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1568.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21410.png

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

Summary

../../_images/fig_times2351.png

(a) Computation time