mp-607841/TlC2O2/harm

Harmonic properties

../../_images/fig_bandos_pr5977.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8788.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5977.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25772.png

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

Summary

../../_images/fig_times10936.png

(a) Computation time