mp-690824/SrH6C4O7/harm

Harmonic properties

../../_images/fig_bandos_pr5051.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7126.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5051.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24856.png

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

Summary

../../_images/fig_times9025.png

(a) Computation time