mp-10334-2/PrCd3P3/harm

Harmonic properties

../../_images/fig_bandos_pr537.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos466.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo537.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2457.png

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

Summary

../../_images/fig_times799.png

(a) Computation time