mp-771889/Sr5La2Cl16/harm

Harmonic properties

../../_images/fig_bandos_pr2506.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3002.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2506.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22327.png

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

Summary

../../_images/fig_times4158.png

(a) Computation time