mp-1190416/Ba3Zn3TeP2O14/harm

Harmonic properties

../../_images/fig_bandos_pr15982.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20391.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15981.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215577.png

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

Summary

../../_images/fig_times26315.png

(a) Computation time