mp-8945/YSnF7/harm

Harmonic properties

../../_images/fig_bandos_pr1658.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1592.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1658.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21491.png

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

Summary

../../_images/fig_times2482.png

(a) Computation time