mp-560015/LiMoAsO6/harm

Harmonic properties

../../_images/fig_bandos_pr7732.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10851.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7732.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27495.png

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

Summary

../../_images/fig_times13643.png

(a) Computation time