mp-10795-2/TaTlS3/harm

Harmonic properties

../../_images/fig_bandos_pr651.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos552.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo651.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2562.png

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

Summary

../../_images/fig_times946.png

(a) Computation time