mp-676110/Tb14Pb3Se24/harm

Harmonic properties

../../_images/fig_bandos_pr5287.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7554.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5287.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25092.png

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

Summary

../../_images/fig_times9517.png

(a) Computation time