mp-1043294/CaGe2WO6/harm

Harmonic properties

../../_images/fig_bandos_pr17238.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21727.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17237.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216779.png

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

Summary

../../_images/fig_times28204.png

(a) Computation time