mp-1189372/TeH2NF5/harm

Harmonic properties

../../_images/fig_bandos_pr15918.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20327.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215513.png

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

Summary

../../_images/fig_times26219.png

(a) Computation time