mp-685813/TiP4Cl24/harm

Harmonic properties

../../_images/fig_bandos_pr5017.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7042.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5017.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24822.png

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

Summary

../../_images/fig_times8933.png

(a) Computation time