mp-558539/Cs2Ba2C3O9/harm

Harmonic properties

../../_images/fig_bandos_pr8046.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11308.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8046.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27808.png

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

Summary

../../_images/fig_times14178.png

(a) Computation time