How to compute the Born effective charge tensor with SIESTA?
The Born effective charge is computed in SIESTA from finite differences of the bulk spontaneous polarization.
We recommend you to read the self-explained SIESTA tutorials in Prof. Javier Junquera’s web page addressing this topic:
http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Hands-on-session.html