Hi all, I have to calculate the static polarizability tensor for a crystal, and I would like to do it using siesta. Searching for related works in the literature, I've seen one in which the tensor is used but using TDDFT. Is there a simpler way to do it using the implemented features of siesta? For example, the siesta documentation says we have the option to calculate the macroscopic polarization. Since P=alpha E, this could relate the tensor to the polarization but, for a crystal, we cannot include an electric field, since every direction will be a bulk direction. Any suggestions?
Best regards, Marcos -- Marcos Verissimo Alves Departamento de Fisica Universidade Federal de São Carlos São Carlos, SP - Brasil *********************************** Marcos Verissimo Alves Physics Department Universidade Federal de Sao Carlos São Carlos, SP - Brazil
