mp-18511/NdF3/harm

Harmonic properties

../../_images/fig_bandos_pr13902.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18301.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13902.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213530.png

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

Summary

../../_images/fig_times23302.png

(a) Computation time