mp-10080/PrGeBO5/harm

Harmonic properties

../../_images/fig_bandos_pr496.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo496.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2421.png

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

Summary

../../_images/fig_times751.png

(a) Computation time