mp-1111314/Na2TlAgF6/harm

Harmonic properties

../../_images/fig_bandos_pr16350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20783.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16349.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215940.png

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

Summary

../../_images/fig_times26850.png

(a) Computation time