mp-25196-2/VCuO4/harm

Harmonic properties

../../_images/fig_bandos_pr12204.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16340.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12204.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211903.png

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

Summary

../../_images/fig_times20695.png

(a) Computation time