mp-10662-2/K2CO3/harm

Harmonic properties

../../_images/fig_bandos_pr628.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos544.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo628.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2544.png

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

Summary

../../_images/fig_times918.png

(a) Computation time