mp-625803-2/SrH16O10/harm

Equation of state

../../_images/fig_bm3074.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5939.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5939.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25735.png

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

Summary

../../_images/fig_times10832.png

(a) Computation time