mp-6372/K2Be3Zn2F12/harm

Harmonic properties

../../_images/fig_bandos_pr6388.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9236.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6388.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26178.png

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

Summary

../../_images/fig_times11520.png

(a) Computation time