mp-6757/Ho4Si2S3O7/harm

Harmonic properties

../../_images/fig_bandos_pr6146.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9014.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6146.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25937.png

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

Summary

../../_images/fig_times11212.png

(a) Computation time