mp-1222-2/CrSi2/harm

Harmonic properties

../../_images/fig_bandos_pr732.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos594.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo732.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2636.png

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

Summary

../../_images/fig_times1040.png

(a) Computation time