mp-558298/Zn3TeAs2Pb3O14/harm

Harmonic properties

../../_images/fig_bandos_pr7990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11236.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27752.png

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

Summary

../../_images/fig_times14091.png

(a) Computation time