mp-772624/Al2CO/harm

Harmonic properties

../../_images/fig_bandos_pr2572.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3103.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2572.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22393.png

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

Summary

../../_images/fig_times4279.png

(a) Computation time