mp-1223861/K2PdBr3Cl/harm

Harmonic properties

../../_images/fig_bandos_pr15039.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo15038.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc214656.png

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

Summary

../../_images/fig_times24888.png

(a) Computation time