mp-11191-2/CrSi2/harm

Harmonic properties

../../_images/fig_bandos_pr16794.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21119.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16793.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216352.png

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

Summary

../../_images/fig_times27416.png

(a) Computation time