mp-19341-2/Tl2WO4/harm

Harmonic properties

../../_images/fig_bandos_pr13725.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18093.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13725.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213353.png

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

Summary

../../_images/fig_times23023.png

(a) Computation time