mp-1189965/TiH8N2F6/harm

Harmonic properties

../../_images/fig_bandos_pr15947.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20357.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15946.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215542.png

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

Summary

../../_images/fig_times26263.png

(a) Computation time