mp-642991/TbH3C3O6/harm

Harmonic properties

../../_images/fig_bandos_pr5451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7857.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25256.png

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

Summary

../../_images/fig_times9872.png

(a) Computation time