mp-1190242/TbH9C5N2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15967.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20375.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15966.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215562.png

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

Summary

../../_images/fig_times26292.png

(a) Computation time