mp-10802-2/RbAs/harm

Harmonic properties

../../_images/fig_bandos_pr656.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos558.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo656.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2567.png

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

Summary

../../_images/fig_times952.png

(a) Computation time