mp-643006/Cs3H5Pd/harm

Harmonic properties

../../_images/fig_bandos_pr5459.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5459.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc25264.png

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

Summary

../../_images/fig_times9881.png

(a) Computation time