mp-17906/PrF3/harm

Harmonic properties

../../_images/fig_bandos_pr14065.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18448.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14065.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213693.png

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

Summary

../../_images/fig_times23529.png

(a) Computation time