mp-8133-2/LaPO4/harm

Equation of state

../../_images/fig_bm872.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2108.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21869.png

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

Summary

../../_images/fig_times3157.png

(a) Computation time