mp-1179724/RbLi2H6N3/harm

Harmonic properties

../../_images/fig_bandos_pr16128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20555.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16127.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215723.png

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

Summary

../../_images/fig_times26523.png

(a) Computation time