mp-1111000/Na3TlF6/harm

Harmonic properties

../../_images/fig_bandos_pr16318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20752.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16317.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215908.png

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

Summary

../../_images/fig_times26818.png

(a) Computation time