mp-1080693/Cs2Bi2Pd/harm

Harmonic properties

../../_images/fig_bandos_pr16996.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21305.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16995.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216548.png

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

Summary

../../_images/fig_times27696.png

(a) Computation time