mp-760194/LiVF6/harm

Harmonic properties

../../_images/fig_bandos_pr2872.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3581.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2872.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22693.png

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

Summary

../../_images/fig_times4855.png

(a) Computation time