Dear Siesta Community,
I wish to study the effect of an externally applied electric field on the
structural relaxation of a group of organic crystals ( less than 300 atoms
per unit cell ) and was wondering if this can be done using SIESTA. In the
manual, there is an option to specify an externally applied field, but it
is not very descriptive. Also, in another thread here in the mailing list
archive, I saw that SIESTA uses Density Functional Perturbation Theory
where only a minute external electric field is applied.
Thus I would be really grateful if someone who has more experience could
shed some light on this.