mp-18875-2/MgWO4/harm

Equation of state

../../_images/fig_bm6806.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13632.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17991.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13632.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213260.png

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

Summary

../../_images/fig_times22894.png

(a) Computation time