mp-760482/F2/harm

Harmonic properties

../../_images/fig_bandos_pr2906.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3631.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2906.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22726.png

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

Summary

../../_images/fig_times4912.png

(a) Computation time