mp-557407/K3NaUC3O11/harm

Harmonic properties

../../_images/fig_bandos_pr8432.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11843.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8432.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28194.png

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

Summary

../../_images/fig_times14796.png

(a) Computation time