mp-1216754/TlCNO/harm

Harmonic properties

../../_images/fig_bandos_pr15214.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19593.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214826.png

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

Summary

../../_images/fig_times25178.png

(a) Computation time