mp-651051/Te2W3C15O15/harm

Harmonic properties

../../_images/fig_bandos_pr5328.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7645.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5328.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25133.png

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

Summary

../../_images/fig_times9617.png

(a) Computation time