mp-5295-2/LaNbO4/harm

Equation of state

../../_images/fig_bm4954.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9937.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13858.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9937.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29690.png

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

Summary

../../_images/fig_times17266.png

(a) Computation time