mp-558134/TlF/harm

Harmonic properties

../../_images/fig_bandos_pr8276.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11639.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8276.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28038.png

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

Summary

../../_images/fig_times14548.png

(a) Computation time