mp-6046-2/Na4UC3O11/harm

Equation of state

../../_images/fig_bm3521.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6603.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9494.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6603.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26393.png

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

Summary

../../_images/fig_times11853.png

(a) Computation time