mp-23334/Bi2TeO5/harm

Harmonic properties

../../_images/fig_bandos_pr13005.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17386.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13005.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212686.png

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

Summary

../../_images/fig_times21984.png

(a) Computation time