mp-756323-2/Li2CuAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr3284.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4344.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3284.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23103.png

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

Summary

../../_images/fig_times5685.png

(a) Computation time