mp-28099/SBr/harm

Equation of state

../../_images/fig_bm5702.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11692.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15689.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11692.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211403.png

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

Summary

../../_images/fig_times19876.png

(a) Computation time