mp-15511/CaTe3O8/harm

Harmonic properties

../../_images/fig_bandos_pr14646.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19023.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14646.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214265.png

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

Summary

../../_images/fig_times24360.png

(a) Computation time