mp-616468/ReC5IO5/harm

Harmonic properties

../../_images/fig_bandos_pr6026.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8870.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6026.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25817.png

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

Summary

../../_images/fig_times11039.png

(a) Computation time