mp-18578/TlZnAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr13556.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17917.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13556.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213184.png

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

Summary

../../_images/fig_times22798.png

(a) Computation time