mp-29313/Ta4P4S29/harm

Harmonic properties

../../_images/fig_bandos_pr11487.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15494.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11487.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211202.png

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

Summary

../../_images/fig_times19584.png

(a) Computation time