mp-7035/CaMgAsO4F/harm

Equation of state

../../_images/fig_bm2371.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4777.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6655.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4777.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24588.png

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

Summary

../../_images/fig_times8477.png

(a) Computation time