mp-1190111/GaHCl2/harm

Harmonic properties

../../_images/fig_bandos_pr15956.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20362.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15955.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215551.png

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

Summary

../../_images/fig_times26273.png

(a) Computation time