mp-19260-2/Li2WO4/harm

Harmonic properties

../../_images/fig_bandos_pr13713.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18082.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13713.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213341.png

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

Summary

../../_images/fig_times23007.png

(a) Computation time