mp-6841/Ba4NaCuC2O10/harm

Harmonic properties

../../_images/fig_bandos_pr6185.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo6185.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc25976.png

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

Summary

../../_images/fig_times11264.png

(a) Computation time