mp-625525-2/H2W2O7/harm

Equation of state

../../_images/fig_bm3043.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5905.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8637.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5905.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25701.png

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

Summary

../../_images/fig_times10772.png

(a) Computation time