mp-1192129/Tl3V5O14/harm

Harmonic properties

../../_images/fig_bandos_pr15773.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20139.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15772.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215368.png

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

Summary

../../_images/fig_times25974.png

(a) Computation time