mp-1175/SrS3/harm

Equation of state

../../_images/fig_bm255.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos589.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo722.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2628.png

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

Summary

../../_images/fig_times1029.png

(a) Computation time