mp-1192007/Rb2As2Se6O/harm

Harmonic properties

../../_images/fig_bandos_pr15765.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20127.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15764.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215360.png

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

Summary

../../_images/fig_times25962.png

(a) Computation time